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Similar to the ssDNA example, example 2. ### 5. Complex example based on a protein-dsDNA input pdb with parts of protein and dna partially fixed (indexed and unindexed), with Hbond conditioning -This is a complex example which has a dsDNA specified in the contig: `C5-18` and `D24-37`. However, it also specifies an indexed protein motif component (`A146-154`) and diffuses the two flanks of the protein indexed region in the same chain. The diffused protein region has an unindexed motif specified via `"unindex": "/0,/0,B251-B255".` (*Note: the chain breaks applied are analogous to the contig string*). Parts of the DNA have been specified as fixed or to be sampled by RFD3 (`select_fixed_atoms`). Additionally hydrogen bond conditioning is applied to some backbone and base atoms of a few DNA bases. +This is a complex example which has a dsDNA specified in the contig: `C5-18` and `D24-37`. However, it also specifies an indexed protein motif component (`A146-154`) and diffuses the two flanks of the protein indexed region in the same chain. The diffused protein region has an unindexed motif specified via `"unindex": "/0,/0,B251-255".` (*Note: the chain breaks applied are analogous to the contig string*). Parts of the DNA have been specified as fixed or to be sampled by RFD3 (`select_fixed_atoms`). Additionally hydrogen bond conditioning is applied to some backbone and base atoms of a few DNA bases. To run this without warnings, you will need to install [hbplus](https://www.ebi.ac.uk/thornton-srv/software/HBPLUS/) to enable hydrogen bond metrics computation. This is discussed at the end of the RFD3 README, but the instructions are reproduced here for convenience: diff --git a/models/rfd3/docs/index.rst b/models/rfd3/docs/index.rst index e8040d1b..a377c223 100644 --- a/models/rfd3/docs/index.rst +++ b/models/rfd3/docs/index.rst @@ -38,6 +38,7 @@ RFD3, we recommend starting with the introductory tutorials before moving on to :maxdepth: 1 tutorials/intermediate_enzyme_design_tutorial.md + tutorials/binder_design_tutorial.md Examples -------- diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial.md b/models/rfd3/docs/tutorials/binder_design_tutorial.md new file mode 100644 index 00000000..7ff53cf5 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial.md @@ -0,0 +1,515 @@ +# Protein and Small Molecule Binder Design with Hydrogen Bond Conditioning + +(binder_tutorial_toc)= +## Table of Contents +- [Introduction](#binder_design_introduction) +- [Before We Get Started](#binder_design_installation_note) +- [Input and Output Files](#binder_design_io) +- [Prerequisites](#binder_design_prereqs) +- [Cleaning the Input Structures](#binder_design_clean_pdbs) +- [Step 2: Setting up the Configuration File](#binder_design_config_file) +- [Step 3: Running RFD3](#binder_design_run_rfd3) +- [What's Next?](#binder_design_whats_next) +- [Additional Examples](#binder_design_addn_examples) + - [Binder Design with Explicitly Modeled Glycans](#binder_design_glycan_example) + - [Small Molecule Binder Design](#binder_design_smolecule_example) +- [Glossary](#binder_design_glossary) +- [Resources and References](#binder_design_further_reading) + +(binder_design_introduction)= +## Introduction + +Diffusion is a powerful tool for designing protein backbones for desired functions. [RFdiffusion3 (RFD3)](https://github.com/RosettaCommons/foundry/tree/production/models/rfd3) builds upon previous versions and introduces atom-level design–diffusing all atoms for each side-chain residue instead of only backbone residues. While (as of February 2026) the amino acid sequences generated by RFD3 do not reach the same level of sequence recovery as [MPNN](https://github.com/RosettaCommons/foundry/tree/production/models/mpnn) (thus MPNN is still recommended as a next step to redesign sequences), RFD3 generates higher quality backbones that avoid clashes with targets by modeling side chains from the start. + +In this tutorial, you will learn how to design binders using RFD3 to protein targets, protein-small molecule targets, and protein targets with post-translational modifications. Starting with a target PDB, you will be able to format the input PDB (including target cropping), assign [hotspots](#binder_design_hotspots_def) at the atom- or residue-level, write input files with different configuration options, and finally run RFD3. From the output structures generated, you can filter based on RFD3 metrics, then move on to sequence redesign with [MPNN](https://github.com/RosettaCommons/foundry/tree/production/models/mpnn) and structure prediction using tools such as [RosettaFold3](https://github.com/RosettaCommons/foundry/tree/production/models/rf3). You may also follow along with our companion video tutorial (). + +--- + +(binder_design_installation_note)= +## Before We Get Started... +This tutorial does not cover installing RFD3. If you need to install this model, see the [README](https://github.com/RosettaCommons/foundry/tree/production/models/rfd3) or the [installation tutorial](./RFdiffusion3_installation_tutorial.md) for installation instructions. You will need to remember the path to the directory where you stored your checkpoint files, if you did not store them in the default location. + +```{note} +You will need to clone the repository to access the tutorial files. Using the `pip` commands to install the model does not automatically download the files in the repository to your system. +``` + +Make sure you have activated any environment(s) you used to install RFD3. + +RFD3 runs best on GPUs. We suggest to follow this tutorial on an interactive GPU node if you have access to one. + +--- + +(binder_design_io)= +## Input and Output Files + +In this tutorial we will be starting with the structure [8AOM](https://www.rcsb.org/structure/8AOM), a complex of PD-L1 with VHH1. This tutorial comes with two [additional examples](#binder_design_addn_examples) for binder design with RFD3, one for [glycans](binder_design_glycan_example) and one for [small molecule binders](#binder_design_smolecule_example). + +The tutorial will follow this general outline: +1. Preparing the PDB file to use as input to RFD3 +2. Creating a configuration file (JSON or YAML) to guide the diffusion process +3. Choosing command line arguments to run RFD3 + +All input files and a handful of example output files for the three examples in this tutorial can be found [here](https://github.com/RosettaCommons/foundry/tree/production/models/rfd3/docs/tutorials/binder_design_tutorial_files). + +(binder_design_prereqs)= +## Prerequisites + +- RFD3 installed (preferably on a system with GPUs) +- Familiarity with [command line](https://www.freecodecamp.org/news/command-line-for-beginners/) +- Protein visualization software, the images in this tutorial were made with [PyMOL](https://www.pymol.org/) + +(binder_design_clean_pdbs)= +## Step 1: Cleaning the Input Structure + +```{important} +This tutorial will follow the convention of target as chain B, and designed binder as chain A. +``` + +In PyMOL, load the 8AOM structure. The structure obtained from the [RSCB PDB](https://www.rcsb.org/) will have the PDL1 protein that we want to use as our target in a complex with VHH1. + +```bash +fetch 8AOM +``` + +```{figure} ../.assets/binder_tutorial/8aom_initial_structure.png +:width: 100% +Crystal structure of 8AOM. PDL1 (pink) is in complex with VHH1 (blue) and interacting with a magnesium atom (green). The x's denote solvent molecules. +``` + +This structure has non-protein elements that we do not need for our design process, let's remove them: + +```bash +remove not (bb. or sc.) +``` + +Before also removing VHH1 from our structure, let's take a look at the residues we will use as [hotspots](#binder_design_hotspots_def) for our design. In this case, these are the residues that will directly interact with the designed binder. + +Since our starting structure shows an example of what our protein of interest (PDL1) binds to (VHH1) we can use it to determine what our [hotspots](#binder_design_hotspots_def) should be. Here we have chosen residues A54 (isoleucine), A56 (tyrosine), A68 (valine), A69 (histidine), A115 (methionine), and A117(serine) because they make the most contacts with VHH1. + +```{figure} ../.assets/binder_tutorial/8aom_choosing_hotspots.png +:width: 100% + +Interface between PDL1 and VHH1, with chosen target [hotspots](#binder_design_hotspots_def) residues in PDL1 colored in dark pink. +``` + +Now we will remove VHH1 from our structure since we are trying to design a different binder in its place. There are several ways to accomplish this, here is how to do it via the PyMOL command prompt: + +```bash +remove chain V +``` + + +```{figure} ../.assets/binder_tutorial/8aom_pld1_only.png +PDL1 structure after the removal of VHH1. [Hotspot](#binder_design_hotspots_def) residues are highlighted in dark pink. +``` + +Target cropping is highly encouraged so as to lower the memory used when running RFD3. This can be very target dependent, but the overall goal is to remove as many residues as possible while keeping target [hotspots](#binder_design_hotspots_def) and overall epitope intact, and without removing parts of the structure that may introduce clashes with the designed binders later on. If any residues were unresolved in the crystal structure (grayed out in the Pymol sequence), also remove them. For PDL1, residues A132-236 were removed via: + +``` +sele to_delete, chain A and resi 132-N +remove to_delete +``` + +```{figure} ../.assets/binder_tutorial/8aom_crop_selection.png +:width: 100% + +Section of PLD1 that will be removed is surrounded by a red box. +``` + +Once you have your final, minimal target structure, you will need to renumber residues so that the chain starts at residue 1 and residue numbering is continuous throughout the chain. For this, select residues that need to be renumbered and run the following command in PyMOL, where ‘-17’ is used because our current structure starts its numbering at 18 and we want it to start at 1. + +```{note} +If your chain is discontinuous after removing residues in the previous step, you may need to select segments of residues and run the renumbering command for each one. +``` + +``` +select all +alter (sele),resi=str(int(resi)-17) +``` + +```{figure} ../.assets/binder_tutorial/8aom_cleaned_structure.png +:width: 100% + +Final cropped structure of PDL1. +``` + +Once your residues are numbered continuously starting at residue 1, change the target protein to be chain B and segment B: + +``` +alter (sele), chain='B' +alter (sele), segi='B' +``` + +Save your cropped PDB file using the command `save /your/path/pdl1_cropped.pdb`, but don't close your PyMOL session. Note the new positions of your [hotspots](#binder_design_hotspots_def) after renumbering, these will be necessary to set up our RFD3 calculation. In this example, our [hotspots](#binder_design_hotspots_def) are now B37, B39, B51, B52, B98, and B100. + +In this tutorial, we will be specifying the specific atoms we want to use in our [hotspot](#binder_design_hotspots_def) residues. You can view the atom labels in PyMOL as shown below: + +```{figure} ../.assets/binder_tutorial/pld1_hotspot_atom_label.png +:width: 100% + +Residue B37 (green) with atom labels. +``` + +(binder_design_config_file)= +## Step 2: Setting up the Configuration File + +RFD3 takes both YAML and JSON file formats as inputs. They are interchangeable and the information contained within them is the same, only with formatting differences. In the [provided tutorial files](https://github.com/RosettaCommons/foundry/tree/production/models/rfd3/docs/tutorials/binder_design_tutorial_files), examples are given for both formats. In the tutorial text we will be using the YAML syntax, as it allows for comments while the JSON format does not. + +The configuration file houses the settings we can use to direct the diffusion process including how long we want our designed binder to be, which residues in from our input structure we want our binder to form hydrogen bonds with, etc. We will discuss these options and more as we create the YAML file. + +--- + +Open a new file called `pdl1.yaml` in your editor of choice. Since we are using the YAML format, our configuration file will start with the name of the design task (`pdl1_binder`) followed by a colon (`:`): + +```yaml +pdl1_binder: +``` +The name of the design task only matters for how your output files are named, so just make sure to have it be something short and descriptive. Everything after this is part of this design task and will need to be indented. + +Let's add the “input” flag. This tells RFD3 where to find your input structure (`pdl1_cropped.pdb`). + +```{note} +It is good practice to use the absolute path to the structure file to circumvent any errors due to where the file is located vs. where you end up running RFD3. +``` + +```{important} +You will need to change the path below to point to where the PDB file you are using is located on your system. +``` + +```yaml + input: ./pdl1_cropped.pdb +``` + +The `contig` option is where you will specify both the desired length of your designed binder outputs, as well as point to the parts of the input file to be “seen” by RFD3. + +Following the binder chain A, target chain B convention, the `contig` will be made up of three parts: first, the range of residue lengths for the designed binder; second, a “chain break” between the chain being designed and the target chains (`/0`); and third, a reference to the target chains present in the target input file. You can learn more about 'contig' strings [here](../input.md#contig-strings). + +```yaml + contig: 55-88,/0,B1-114 +``` +This says that we want our designed binder to be between 55 and 88 residues long followed by a chain break followed by residues B1-114 of our input structure. + +The `select_hotspots` flag is where you will include the [hotspot](#binder_design_hotspots_def) residue/atom information you obtained in the first step of the tutorial. These can be set at the atom level, but there are various other options that can be used here that are described in the [InputSelection Mini-Language guide](../input.md#the-inputselection-mini-language). + +For the PDL1 example, the atom level [hotspots](#binder_design_hotspots_def) can be set as below: + +``` + select_hotspots: + {"B37": "CB,CD1,CG1", + "B39": "CD1,CD2,CE1,CE2,CG,CZ,OH", + "B51": "CG1,CG2,CB", + "B52": "CE1,CD2,ND1,NE2,CB,CG", + "B98": "CB,CE,CG,SD", + "B100": "OG,CB"} +``` + +The `select_hbond_donor` and `select_hbond_acceptor` options are used to condition RFD3 to design binders that make hydrogen bond interactions with specified atoms. For residues in your target that are good hydrogen bond donors, use `select_hbond_donor`; for good acceptors, use `select_hbond_acceptor`. It is common to also include the same residues as [hotspots](#binder_design_hotspots_def), to increase contact between the binder and those residues. + +The way these atoms are specified is similar to how they were specified for the `select_hotspots` option. However, in practice it is often best to select atoms within the residue that would actually be a part of the hydrogen bond interaction (instead of specifying `TIP`, for example.) + +``` + select_hbond_donor: + {"B39": "OH", + "B52": "ND1,NE2"} +``` + +In RFD3, you can specify the point at which the center of mass of your designed protein should be located. This position is referred to as an ['ORI token'](#binder_design_ori_def). For design tasks with [hotspots](#binder_design_hotspots_def), it is typical to use the [hotspots](#binder_design_hotspots_def) to determine this point: +```yaml + infer_ori_strategy: hotspots +``` + +To be extra certain that RFD3 will not change the identity of any of the residues in the [motif](#binder_design_motif_def) - what RFD3 takes from the provided input structure - let's add `redesign_motif_sidechains` to our YAML file: +```yaml + redesign_motif_sidechains: False +``` + +Last, but not least, we want our designs to have fewer loopy regions and more defined secondary structure [motifs](#binder_design_motif_def). We can push RFD3 to do this via: + +```yaml + is_non_loopy: True +``` + +There are many other options that you can use to further specify the designs you want to create. Some of these are described in the two [additional examples](#binder_design_addn_examples), but even more are described [here](#../input.md#inputspecification-fields). We encourage you to explore these options for your own design projects. + +(binder_design_run_rfd3)= +## Step 3: Running RFD3 + +Now that we have our cropped PDB file and our input options specified in a YAML file, we can run RFD3 to generate binder designs. There are many command line arguments that you can use to control how RFD3 runs, which are described [here](../input.md#cli-arguments). However, we will focus only on the options that are more frequently used for binder design in this tutorial. + +```{important} +You may need to update the input file paths and output directory (discussed below) depending on where your input files are located and where you want your output files relative to where you run RFD3. +``` + +For the PDL1 example, we can run RFD3 with this command: + +```bash +rfd3 design \ +out_dir="./pdl1_binder_outputs" \ +inputs="./pdl1.yaml" \ +n_batches=1 \ +diffusion_batch_size=8 \ +dump_trajectories=True +``` + +You can either run this from the command line prompt in an interactive session on a GPU node or submit the job to the computing resources you have access to. For an example runscript for submitting these jobs, see the [PDL1 runscript example](./binder_design_tutorial_files/PDL1/pdl1.sh). Note that the options shown in this runscript might not match the options you have access to. + +Let's break this down: +- `rfd3 design`: This is the main command that actually runs RFD3 +- `out_dir`: This is a **required** argument that specifies the relative path to where you want your outputs stored. If the directory does not already exist, RFD3 will create it. In this example our outputs will be saved in a directory called `pdl1_binder_outputs` that will be created in your current working directory. +- `inputs`: This is the relative path and file name for your input YAML or JSON file. The command above assumes that the YAML file we created for the PDL1 example is in your current working directory. +- `n_batches`: RFD3 will run your designs in batches. The higher the number of batches, the more diversity your designs will have. *Note that all designs in a single batch will have the same length*. +- `diffusion_batch_size`: The number of designs in each batch. Larger batch sizes are more efficient, but your results will be less diverse than generating the same total number of designs with smaller batches. +- `dump_trajectories`: If `True`, then the trajectories created during the RFD3 design process are saved. These are not necessary for the assessment of your designs, but can be useful for visualization purposes. In general, we recommend leaving this set to the default value of `False` because the trajectory file sizes can be large. + +After RFD3 runs, 4 types of files should be generated: +(In the list below 'n' can be 0 through 7, there should be one of each file for each RFD3 designed binder.) +- pdl1_test_0_denoised_model_n.cif.gz: This trajectory files shows what the diffusion network thinks the final clean structure will be at each timestep. The input [motif](#binder_design_motif_def) is not held fixed in this view. Can be used to see what the model 'learned' at each step as it is easier to watch the secondary structure emerge during the diffusion process. +- pdl1_test_0_noisy_model_n.cif.gz: A trajectory that shows how the diffusion process actually progressed while the input [motifs](#binder_design_motif_def) are held fixed. Can be used to verify motif integrity. +- pdl1_test_0_model_n.cif.gz: This file contains the final binder structure generated by RFD3 along with any portions of the input structure that were specified by the configuration file. +- pdl1_test_0_model_n.json: A JSON file with information about the design including metrics and a map between the input structure and the output structure, when applicable. + +(binder_design_whats_next)= +## What's Next? +We recommend that you visually inspect your designs along with taking a look at the metrics in the generated JSON file to filter your designs before moving on to the next step of your design pipeline, such as sequence design with [MPNN](https://github.com/RosettaCommons/foundry/tree/production/models/mpnn). + +Keep in mind that while we only generate 8 designs in this tutorial, for real design projects you will likely want to generate hundreds or thousands of designs and then filter them based on your design parameters. + +(binder_design_addn_examples)= +## Additional Examples +The additional examples explored in the next few sections follow the same process discussed in the tutorial, with minor exceptions and changes. In the text for these examples we will mostly highlight how these examples differ from the PDL1 example discussed in the main body of the tutorial and why. + +The input files for these examples along with example output files can be found [here](https://github.com/RosettaCommons/foundry/tree/production/models/rfd3/docs/tutorials/binder_design_tutorial_files). + +(binder_design_glycan_example)= +### Binder Design with Explicitly Modeled Glycans +For this example we will start with the [8S6Z](https://www.rcsb.org/structure/8S6Z) structure which is composed of CD28 in complex with antibody Fab fragment AI3. This will allow us to explore binder design in RFD3 for a protein target with explicitly modeled glycans. + +#### Step 1: Cleaning the Input Structure +You can follow the same procedure as described in [Step 1](#binder_design_clean_pdbs) of the tutorial with a few changes: +1. Load the 8S6Z structure into PyMOL using `fetch 8S6Z` +1. We want to keep the explicitly modeled glycans, which would be removed if we ran `remove not (bb. or sc.)`. Instead run: + ```bash + remove solvent + remove resn ZN + ``` + These will remove any solvent molecules and the zinc ions, in that order. +1. The 8S6Z structure has two copies of CD28, chains C and F. Either can be used for this example, but to match the [provided tutorial files](https://github.com/RosettaCommons/foundry/tree/production/models/rfd3/docs/tutorials/binder_design_tutorial_files), you will need to keep only chain C. You can remove the remaining chains via + ```bash + remove chain A + remove chain B + remove chain D + remove chain E + remove chain F + ``` + The non-protein molecules that are part of each chain will also be removed. +1. The glycan molecules we want to keep are labeled as NAG, any other molecules can be removed: + ```bash + remove resn GOL + remove resn IMD + ``` +1. Remove any unresolved atoms. +1. Now relabel the chains as discussed in the main text of the tutorial so that CD28 comprises chain B and each glycan molecule is in its own chain. Make sure to renumber the chains so they begin at residue 1. + ```bash + # manually select a glycan molecule + alter sele, chain='C' + alter sele, segi='C' + alter sele, resi=1 + ``` + Keep in mind that two of the glycans are connected, so keep these in the same chain. (To match the example YAML file below, these should be in chain G.) + ```{note} + You could have put all the glycan molecules in the same chain, but putting them in individual chains gives more flexibility if you want to include only a subset of these molecules in future design tasks. + ``` +1. Save your cleaned structure. + +Your final structure should match the one in the provided tutorial files. + +```{figure} ../.assets/binder_tutorial/cd28_cleaned.png +:width: 100% + +Final cleaned CD28 structure with glycan molecules. +``` + +#### Step 2: Setting up the configuration file +Here are the settings we will use for the design of the binder for CD28: +```yaml +test: + input: ./cd28_nag.pdb + contig: 55-88,/0,B1-118,C1-1,D1-1,E1-1,F1-1,G1-2 + redesign_motif_sidechains: False + infer_ori_strategy: hotspots + is_non_loopy: True + select_hotspots: + {"B4": "CB,CD1,CD2,CG", + "B3": "CG1,CG2,CD1,CB", + "B105": "CB,CD1,CD2,CG", + "B104": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B100": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B102": "CB,CD,CG,N", + "B101": "CB,CD,CG,N", + "B31": "CB,CD,CG,CZ,NH1,NH2,NE"} + select_hbond_donor: + {"B100": "OH", + "B104": "OH", + "B31": "NH1,NH2,NE"} +``` + +These settings specify that we want to design a binder that is 55-88 residues long around our input structure. Notice that the glycans were included in our 'contig string' to ensure that they were visible to RFD3. RFD3 knows to avoid clashing with these molecules when creating binder designs. + + +Atoms on three residues (B31, B100, B104) have been chosen to act as hydrogen bond donors to residues on the designed binder. The [hotspots](#binder_design_hotspots_def) were once again chosen by observing which residues had side chains that seemed to interact with the antibody fragment: + +```{figure} ../.assets/binder_tutorial/cd28_hotspots.png +:width: 100% + +Interface between CD28 (blue) and the antibody fragment (pink). The chosen [hotspots](#binder_design_hotspots_def) are in a darker teal color and are shown as sticks. The antibody residues close to CD28 are rendered as sticks as well to better see the interactions. +``` + + +```{note} +Fore more details on these settings, see the main text of the tutorial. +``` + +#### Step 3: Running RFD3 +You can run RFD3 to design this binder in the same way that was shown in the main example. Just make sure to change your output directory: + +```bash +rfd3 design \ +out_dir="./cd28_nag_binder_outputs" \ +inputs="./cd28.yaml" \ +n_batches=1 \ +diffusion_batch_size=8 \ +dump_trajectories=True +``` + +(binder_design_smolecule_example)= +### Small Molecule Binder Design +For this example we will start with the [8S1X](https://www.rcsb.org/structure/8S1X) structure which is composed of PDF1 bound to actinonin ([BB2](https://www.rcsb.org/ligand/BB2)) with a designed protein binder (DBAct553). This structure will allow us to explore binder design with RFD3 in the presence of small molecules. + +(binder_design_smolecule_step1)= +#### Step 1: Cleaning the Input Structure +You can follow the same procedure as described in [Step 1](#binder_design_clean_pdbs) of the tutorial with a few changes: +1. Fetch the starting structure (`fetch 8S1X`) +1. Remove any pieces of the structure that are not proteins or the actinonin ligand: + ```bash + remove solvent + remove resn PO4 + remove resn FMT + remove resn ZN + remove resn K + ``` +1. Remove any unresolved residues +1. Before removing the designed binder (chain B) take a look at the residues at the interface between the designed binder and PDF1, this will help us determine our [hotspots](#binder_design_hotspots_def) for this example. + ```{figure} ../.assets/pdf1_hotspots.png + + DBAct553 (the designed binder) is shown in pink, PDF1 is shown in green, and actinonin (BB2) is shown in blue. Residues near the interface are shown as sticks. The chosen hotspot residues are shown in orange. + ``` + The [hotspots](#binder_design_hotspots_def) were chosen based on which residues at the interface appear to be interacting with DBAct553. +1. Remove the designed binder (`remove chain B`) +1. Relabel the remaining portions of the structure so that the protein is in chain B with residue numbering starting at 1 and the small molecule is the first residue of chain C: + ```bash + # select chain A + alter sele, chain='B' + alter sele, segi='B' + alter sele, resi=str(int(resi)-1) + + # select the small molecule + alter sele, chain='C' + alter sele, segi='C' + alter sele, resi='1' + ``` +1. Save your cleaned PDB, in the provided tutorial files this structure is saved as [`pdf1_sm.pdb`](https://github.com/RosettaCommons/foundry/tree/production/models/rfd3/docs/tutorials/binder_design_tutorial_files). + +```{note} +We did not crop the structure in this example because it was already small enough to use for our design tasks. +``` + +#### Step 2: Setting up the configuration file +Here are the settings we will use for the design of the binder for PDF1: +```yaml +test: + input: ./pdf1_sm.pdb + contig: 55-88,/0,B1-167,C1-1 + redesign_motif_sidechains: False + infer_ori_strategy: hotspots + is_non_loopy: True + select_hotspots: { + "B64": "OE1,OE2,CD,CB,CG", + "B126": "CB,CD1,CD2,CG", + "B87": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B98": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B88": "CB,CG,OE1,NE2", + "B42": "CB,CD,CG,N", + "B44": "CB,CD1,CG1,CG2", + "C1": "C15,C16,C17,C18,O20,N21,C22,C23,C24,C25,O27"} + select_hbond_donor: { + "B87": "OH", + "B98": "OH", + "B64": "OE1,OE2", + "B42": "N", + "C1": "O20,N21,O27"} +``` + +These settings specify that we want to design a binder that is 55-88 residues long around our input structure. Notice that we've included both the protein and the small molecule in our 'contig string'. This allows RFD3 to design binders that avoid clashes and interact with the small molecule. + +The choice of residues to use as [hotspots](#binder_design_hotspots_def) was discussed in [Step 1](#binder_design_smolecule_step1). The specific atoms on these residues selected as [hotspots](#binder_design_hotspots_def) were the ones most external to the protein structure. This is also true of the [hotspot](#binder_design_hotspots_def) atoms chosen on the small molecule, the atoms chosen are the least buried in the protein structure: + +```{figure} ../.assets/binder_tutorial/pdf1_bb1_hotspots.png +:width: 100% + +The actinonin atoms selected as [hotspots](#binder_design_hotspots_def) are highlighted in pink. Note the atoms selected are not buried in the protein structure. +``` + +Atoms on four residues (B42, B64, B87, B98) along with three polar atoms on the small molecule have been chosen to act as hydrogen bond donors to residues on the designed binder. + +```{note} +Fore more details on these settings, see the main text of the tutorial. +``` + +#### Step 3: Running RFD3 +You can run RFD3 to design this binder in the same way that was shown in the main example. Just make sure to change your output directory: + +```bash +rfd3 design \ +out_dir="./pdf1_sm_binder_outputs" \ +inputs="./pdf1.yaml" \ +n_batches=1 \ +diffusion_batch_size=8 \ +dump_trajectories=True +``` + +(binder_design_glossary)= +## Glossary +(binder_design_hotspots_def)= +### Hotspot +A hotspot is a residue that is part of the interface between the given and designed portions of the final structure. + +(binder_design_motif_def)= +### Motif +A 'motif' in the context of protein design is a defined structural or functional unit that we want to preserve in our designs. For RFD3, specifically, a motif is the input structure (or a portion of the input structure) that we specify in our contig string so that RFD3 can design around it. + +(binder_design_ori_def)= +### ORI token +An ORI token, short for 'origin' token, is the location of where you want the center of mass of the designed structure of your protein to be. + +(binder_design_further_reading)= +## Resources and References + +RFD3 preprint: [https://www.biorxiv.org/content/10.1101/2025.09.18.676967v2](https://www.biorxiv.org/content/10.1101/2025.09.18.676967v2) +RFD3 Foundry documentation: [https://github.com/RosettaCommons/foundry/blob/production/models/rfd3/README.md](https://github.com/RosettaCommons/foundry/blob/production/models/rfd3/README.md) +MPNN Foundry documentation: [https://github.com/RosettaCommons/foundry/blob/production/models/mpnn/README.md](https://github.com/RosettaCommons/foundry/blob/production/models/mpnn/README.md) +RF3 foundry documentation: [https://github.com/RosettaCommons/foundry/blob/production/models/rf3/README.md](https://github.com/RosettaCommons/foundry/blob/production/models/rf3/README.md) +References for diffusion models and RFdiffusion: + +- What are diffusion models? [https://www.ibm.com/think/topics/diffusion-models](https://www.ibm.com/think/topics/diffusion-models) +- De novo design of protein structure and function with RFdiffusion [https://www.nature.com/articles/s41586-023-06415-8](https://www.nature.com/articles/s41586-023-06415-8) +- Atom-level enzyme active site scaffolding using RFdiffusion2 [https://www.nature.com/articles/s41592-025-02975-x](https://www.nature.com/articles/s41592-025-02975-x) +- De novo design of phospho-tyrosine peptide binders [https://www.biorxiv.org/content/10.1101/2025.09.29.678898v1](https://www.biorxiv.org/content/10.1101/2025.09.29.678898v1) + +References for protein structure prediction and interaction metrics: + +- Highly accurate protein structure prediction with AlphaFold [https://www.nature.com/articles/s41586-021-03819-2](https://www.nature.com/articles/s41586-021-03819-2) +- Accurate structure prediction of biomolecular interactions with AlphaFold 3 [https://www.nature.com/articles/s41586-024-07487-w](https://www.nature.com/articles/s41586-024-07487-w) +- Accelerating Biomolecular Modeling with AtomWorks and RF3 [https://www.biorxiv.org/content/10.1101/2025.08.14.670328v2](https://www.biorxiv.org/content/10.1101/2025.08.14.670328v2) +- PAE: A measure of global confidence in AlphaFold2 predictions [https://www.ebi.ac.uk/training/online/courses/alphafold/inputs-and-outputs/evaluating-alphafolds-predicted-structures-using-confidence-scores/pae-a-measure-of-global-confidence-in-alphafold-predictions/](https://www.ebi.ac.uk/training/online/courses/alphafold/inputs-and-outputs/evaluating-alphafolds-predicted-structures-using-confidence-scores/pae-a-measure-of-global-confidence-in-alphafold-predictions/) +- Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders [https://www.biorxiv.org/content/10.1101/2025.08.14.670059v1.full](https://www.biorxiv.org/content/10.1101/2025.08.14.670059v1.full) + diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/8AOM.pdb b/models/rfd3/docs/tutorials/binder_design_tutorial_files/8AOM.pdb new file mode 100644 index 00000000..869e5d74 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/8AOM.pdb @@ -0,0 +1,5827 @@ +HEADER IMMUNE SYSTEM 08-AUG-22 8AOM +TITLE COMPLEX OF PD-L1 WITH VHH1 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PROGRAMMED CELL DEATH 1 LIGAND 1; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES; +COMPND 5 MOL_ID: 2; +COMPND 6 MOLECULE: VHH6; +COMPND 7 CHAIN: V; +COMPND 8 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 7 EXPRESSION_SYSTEM_VARIANT: *; +SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-28A; +SOURCE 10 MOL_ID: 2; +SOURCE 11 ORGANISM_SCIENTIFIC: LAMA GLAMA; +SOURCE 12 ORGANISM_TAXID: 9844; +SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 14 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 15 EXPRESSION_SYSTEM_VARIANT: *; +SOURCE 16 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 17 EXPRESSION_SYSTEM_PLASMID: PET-21A(+) +KEYWDS SINGLE DOMAIN ANTIBODY, VHH, PROGRAMMED CELL DEATH 1 LIGAND 1, IMMUNE +KEYWDS 2 SYSTEM +EXPDTA X-RAY DIFFRACTION +AUTHOR T.KANG-PETTINGER,G.HALL +REVDAT 3 09-OCT-24 8AOM 1 REMARK +REVDAT 2 07-FEB-24 8AOM 1 REMARK +REVDAT 1 14-JUN-23 8AOM 0 +JRNL AUTH T.KANG-PETTINGER,K.WALKER,R.BROWN,R.COWAN,H.WRIGHT, +JRNL AUTH 2 R.BARAVALLE,L.C.WATERS,F.W.MUSKETT,M.W.BOWLER,K.SAWMYNADEN, +JRNL AUTH 3 P.J.COOMBS,M.D.CARR,G.HALL +JRNL TITL IDENTIFICATION, BINDING, AND STRUCTURAL CHARACTERIZATION OF +JRNL TITL 2 SINGLE DOMAIN ANTI-PD-L1 ANTIBODIES INHIBITORY OF IMMUNE +JRNL TITL 3 REGULATORY PROTEINS PD-1 AND CD80. +JRNL REF J.BIOL.CHEM. V. 299 02769 2023 +JRNL REFN ESSN 1083-351X +JRNL PMID 36470427 +JRNL DOI 10.1016/J.JBC.2022.102769 +REMARK 2 +REMARK 2 RESOLUTION. 2.20 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.8.0267 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 47.32 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 +REMARK 3 NUMBER OF REFLECTIONS : 28212 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : FREE R-VALUE +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.208 +REMARK 3 FREE R VALUE : 0.245 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.023 +REMARK 3 FREE R VALUE TEST SET COUNT : 1417 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.26 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 1975 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.0 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3650 +REMARK 3 BIN FREE R VALUE SET COUNT : 100 +REMARK 3 BIN FREE R VALUE : 0.3760 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2636 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 1 +REMARK 3 SOLVENT ATOMS : 46 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 70.15 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.00000 +REMARK 3 B22 (A**2) : 0.00000 +REMARK 3 B33 (A**2) : 0.00000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.190 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.173 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.960 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.949 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2691 ; 0.009 ; 0.013 +REMARK 3 BOND LENGTHS OTHERS (A): 2509 ; 0.035 ; 0.015 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3654 ; 1.611 ; 1.646 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 5772 ; 2.368 ; 1.580 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 331 ; 7.684 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 142 ;38.130 ;22.535 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 457 ;18.325 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 17 ;14.815 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 353 ; 0.070 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3056 ; 0.007 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 622 ; 0.007 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 378 ; 0.187 ; 0.200 +REMARK 3 NON-BONDED CONTACTS OTHERS (A): 50 ; 0.355 ; 0.200 +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1234 ; 0.166 ; 0.200 +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 76 ; 0.167 ; 0.200 +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1333 ; 5.938 ; 7.070 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1332 ; 5.873 ; 7.067 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1661 ; 8.108 ;10.593 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 1662 ; 8.108 ;10.597 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1358 ; 6.853 ; 7.845 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 1357 ; 6.836 ; 7.842 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1993 ; 9.942 ;11.455 +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1993 ; 9.939 ;11.457 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK BULK SOLVENT +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THEIR +REMARK 3 RIDING POSITIONS +REMARK 4 +REMARK 4 8AOM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 08-AUG-22. +REMARK 100 THE DEPOSITION ID IS D_1292124871. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 09-SEP-21 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ESRF +REMARK 200 BEAMLINE : MASSIF-1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.965459 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : PIXEL +REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 S 1M +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : AIMLESS +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 28213 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 +REMARK 200 RESOLUTION RANGE LOW (A) : 47.324 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 +REMARK 200 DATA REDUNDANCY : 7.600 +REMARK 200 R MERGE (I) : 0.07200 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 10.2000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 9.08 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 47.28 +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : 7.40 +REMARK 200 R MERGE FOR SHELL (I) : 0.04300 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: 4ZQK +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 66.16 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.63 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MOPS, PH 7.5, AND 12% (W/V) PEG +REMARK 280 8000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 21 3 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 5555 Z,X,Y +REMARK 290 6555 Z+1/2,-X+1/2,-Y +REMARK 290 7555 -Z+1/2,-X,Y+1/2 +REMARK 290 8555 -Z,X+1/2,-Y+1/2 +REMARK 290 9555 Y,Z,X +REMARK 290 10555 -Y,Z+1/2,-X+1/2 +REMARK 290 11555 Y+1/2,-Z+1/2,-X +REMARK 290 12555 -Y+1/2,-Z,X+1/2 +REMARK 290 13555 X+1/2,Y+1/2,Z+1/2 +REMARK 290 14555 -X,-Y+1/2,Z +REMARK 290 15555 -X+1/2,Y,-Z +REMARK 290 16555 X,-Y,-Z+1/2 +REMARK 290 17555 Z+1/2,X+1/2,Y+1/2 +REMARK 290 18555 Z,-X,-Y+1/2 +REMARK 290 19555 -Z,-X+1/2,Y +REMARK 290 20555 -Z+1/2,X,-Y +REMARK 290 21555 Y+1/2,Z+1/2,X+1/2 +REMARK 290 22555 -Y+1/2,Z,-X +REMARK 290 23555 Y,-Z,-X+1/2 +REMARK 290 24555 -Y,-Z+1/2,X +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 74.75600 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 74.75600 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 74.75600 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 74.75600 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 74.75600 +REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 74.75600 +REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 74.75600 +REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 74.75600 +REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 74.75600 +REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 74.75600 +REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 74.75600 +REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 74.75600 +REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 74.75600 +REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 74.75600 +REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 74.75600 +REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 74.75600 +REMARK 290 SMTRY1 17 0.000000 0.000000 1.000000 74.75600 +REMARK 290 SMTRY2 17 1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY3 17 0.000000 1.000000 0.000000 74.75600 +REMARK 290 SMTRY1 18 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY2 18 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 18 0.000000 -1.000000 0.000000 74.75600 +REMARK 290 SMTRY1 19 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY2 19 -1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY3 19 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 20 0.000000 0.000000 -1.000000 74.75600 +REMARK 290 SMTRY2 20 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 20 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY1 21 0.000000 1.000000 0.000000 74.75600 +REMARK 290 SMTRY2 21 0.000000 0.000000 1.000000 74.75600 +REMARK 290 SMTRY3 21 1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY1 22 0.000000 -1.000000 0.000000 74.75600 +REMARK 290 SMTRY2 22 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY3 22 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY1 23 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 23 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY3 23 -1.000000 0.000000 0.000000 74.75600 +REMARK 290 SMTRY1 24 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 24 0.000000 0.000000 -1.000000 74.75600 +REMARK 290 SMTRY3 24 1.000000 0.000000 0.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, V +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 PRO A 216 +REMARK 465 GLU A 217 +REMARK 465 ASN A 236 +REMARK 465 GLU A 237 +REMARK 465 ARG A 238 +REMARK 465 THR A 239 +REMARK 465 GLY V 0 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 MET A 18 CG SD CE +REMARK 470 LYS A 46 CG CD CE NZ +REMARK 470 ARG V 31 CG CD NE CZ NH1 NH2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 HH TYR V 59 H ILE V 69 1.17 +REMARK 500 HH12 ARG V 66 OD2 ASP V 89 1.57 +REMARK 500 H TYR A 112 O ILE A 126 1.60 +REMARK 500 O VAL A 68 O HOH A 401 2.17 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 HD21 ASN A 138 H GLN V 13 19545 1.27 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ASP A 215 CB - CG - OD1 ANGL. DEV. = -6.6 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 GLU A 45 -74.32 -88.54 +REMARK 500 LYS A 46 -155.20 -101.77 +REMARK 500 GLU A 60 -116.31 56.51 +REMARK 500 GLN A 83 -13.66 83.09 +REMARK 500 ALA A 97 69.72 -107.78 +REMARK 500 TYR A 118 86.17 -161.34 +REMARK 500 PRO A 161 -129.77 -78.34 +REMARK 500 LYS A 189 -12.18 67.13 +REMARK 500 ASN A 204 -3.81 79.54 +REMARK 500 SER V 29 146.55 -170.33 +REMARK 500 PRO V 102 -72.19 -70.27 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 8AOM A 19 239 UNP Q9NZQ7 PD1L1_HUMAN 19 239 +DBREF 8AOM V 0 118 PDB 8AOM 8AOM 0 118 +SEQADV 8AOM MET A 18 UNP Q9NZQ7 INITIATING METHIONINE +SEQRES 1 A 222 MET PHE THR VAL THR VAL PRO LYS ASP LEU TYR VAL VAL +SEQRES 2 A 222 GLU TYR GLY SER ASN MET THR ILE GLU CYS LYS PHE PRO +SEQRES 3 A 222 VAL GLU LYS GLN LEU ASP LEU ALA ALA LEU ILE VAL TYR +SEQRES 4 A 222 TRP GLU MET GLU ASP LYS ASN ILE ILE GLN PHE VAL HIS +SEQRES 5 A 222 GLY GLU GLU ASP LEU LYS VAL GLN HIS SER SER TYR ARG +SEQRES 6 A 222 GLN ARG ALA ARG LEU LEU LYS ASP GLN LEU SER LEU GLY +SEQRES 7 A 222 ASN ALA ALA LEU GLN ILE THR ASP VAL LYS LEU GLN ASP +SEQRES 8 A 222 ALA GLY VAL TYR ARG CYS MET ILE SER TYR GLY GLY ALA +SEQRES 9 A 222 ASP TYR LYS ARG ILE THR VAL LYS VAL ASN ALA PRO TYR +SEQRES 10 A 222 ASN LYS ILE ASN GLN ARG ILE LEU VAL VAL ASP PRO VAL +SEQRES 11 A 222 THR SER GLU HIS GLU LEU THR CYS GLN ALA GLU GLY TYR +SEQRES 12 A 222 PRO LYS ALA GLU VAL ILE TRP THR SER SER ASP HIS GLN +SEQRES 13 A 222 VAL LEU SER GLY LYS THR THR THR THR ASN SER LYS ARG +SEQRES 14 A 222 GLU GLU LYS LEU PHE ASN VAL THR SER THR LEU ARG ILE +SEQRES 15 A 222 ASN THR THR THR ASN GLU ILE PHE TYR CYS THR PHE ARG +SEQRES 16 A 222 ARG LEU ASP PRO GLU GLU ASN HIS THR ALA GLU LEU VAL +SEQRES 17 A 222 ILE PRO GLU LEU PRO LEU ALA HIS PRO PRO ASN GLU ARG +SEQRES 18 A 222 THR +SEQRES 1 V 119 GLY GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL +SEQRES 2 V 119 GLN ALA GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER +SEQRES 3 V 119 GLY SER ILE SER SER ARG ASP VAL MET ARG TRP TYR ARG +SEQRES 4 V 119 GLN ALA PRO GLY LYS GLN ARG GLU LEU VAL ALA SER ILE +SEQRES 5 V 119 SER SER GLY GLY GLY THR TYR TYR VAL ASP SER VAL LYS +SEQRES 6 V 119 GLY ARG PHE THR ILE SER ARG ASP ASN ALA GLU ASN THR +SEQRES 7 V 119 LEU TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP THR +SEQRES 8 V 119 ALA VAL TYR TYR CYS TRP ASP LEU GLY HIS ARG PRO TYR +SEQRES 9 V 119 PHE LYS ASP TYR TRP GLY GLN GLY THR GLN VAL THR VAL +SEQRES 10 V 119 SER SER +HET MG A 301 1 +HETNAM MG MAGNESIUM ION +FORMUL 3 MG MG 2+ +FORMUL 4 HOH *46(H2 O) +HELIX 1 AA1 LEU A 74 GLN A 77 5 4 +HELIX 2 AA2 HIS A 78 ARG A 82 5 5 +HELIX 3 AA3 ASP A 90 GLY A 95 5 6 +HELIX 4 AA4 LYS A 105 ALA A 109 5 5 +HELIX 5 AA5 ASP V 61 LYS V 64 5 4 +HELIX 6 AA6 LYS V 86 THR V 90 5 5 +SHEET 1 AA1 6 LEU A 27 GLU A 31 0 +SHEET 2 AA1 6 ALA A 121 ASN A 131 1 O LYS A 129 N TYR A 28 +SHEET 3 AA1 6 GLY A 110 SER A 117 -1 N TYR A 112 O ILE A 126 +SHEET 4 AA1 6 ILE A 54 MET A 59 -1 N GLU A 58 O ARG A 113 +SHEET 5 AA1 6 LYS A 62 VAL A 68 -1 O PHE A 67 N VAL A 55 +SHEET 6 AA1 6 GLU A 71 GLU A 72 -1 O GLU A 71 N VAL A 68 +SHEET 1 AA2 3 MET A 36 ILE A 38 0 +SHEET 2 AA2 3 LEU A 99 ILE A 101 -1 O LEU A 99 N ILE A 38 +SHEET 3 AA2 3 ALA A 85 LEU A 87 -1 N ARG A 86 O GLN A 100 +SHEET 1 AA3 4 ASN A 138 ASP A 145 0 +SHEET 2 AA3 4 GLU A 150 GLY A 159 -1 O GLU A 150 N VAL A 144 +SHEET 3 AA3 4 PHE A 191 ASN A 200 -1 O ILE A 199 N HIS A 151 +SHEET 4 AA3 4 LYS A 178 ASN A 183 -1 N THR A 182 O ASN A 192 +SHEET 1 AA4 4 VAL A 174 LEU A 175 0 +SHEET 2 AA4 4 ALA A 163 SER A 169 -1 N TRP A 167 O LEU A 175 +SHEET 3 AA4 4 ILE A 206 ARG A 213 -1 O THR A 210 N ILE A 166 +SHEET 4 AA4 4 ASN A 219 VAL A 225 -1 O LEU A 224 N PHE A 207 +SHEET 1 AA5 4 VAL V 2 SER V 7 0 +SHEET 2 AA5 4 LEU V 18 GLY V 26 -1 O ALA V 23 N VAL V 5 +SHEET 3 AA5 4 THR V 77 MET V 82 -1 O MET V 82 N LEU V 18 +SHEET 4 AA5 4 PHE V 67 ASP V 72 -1 N ASP V 72 O THR V 77 +SHEET 1 AA6 6 GLY V 10 GLN V 13 0 +SHEET 2 AA6 6 THR V 112 SER V 117 1 O THR V 115 N VAL V 12 +SHEET 3 AA6 6 ALA V 91 GLY V 99 -1 N ALA V 91 O VAL V 114 +SHEET 4 AA6 6 VAL V 33 GLN V 39 -1 N TYR V 37 O TYR V 94 +SHEET 5 AA6 6 GLU V 46 ILE V 51 -1 O VAL V 48 N TRP V 36 +SHEET 6 AA6 6 THR V 57 TYR V 59 -1 O TYR V 58 N SER V 50 +SHEET 1 AA7 4 GLY V 10 GLN V 13 0 +SHEET 2 AA7 4 THR V 112 SER V 117 1 O THR V 115 N VAL V 12 +SHEET 3 AA7 4 ALA V 91 GLY V 99 -1 N ALA V 91 O VAL V 114 +SHEET 4 AA7 4 LYS V 105 TRP V 108 -1 O LYS V 105 N GLY V 99 +SSBOND 1 CYS A 40 CYS A 114 1555 1555 2.00 +SSBOND 2 CYS A 155 CYS A 209 1555 1555 2.11 +SSBOND 3 CYS V 22 CYS V 95 1555 1555 2.07 +CISPEP 1 TYR A 160 PRO A 161 0 -0.72 +CRYST1 149.512 149.512 149.512 90.00 90.00 90.00 I 21 3 24 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.006688 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006688 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006688 0.00000 +ATOM 1 N MET A 18 -53.783 -3.172 16.983 1.00110.40 N0 +ATOM 2 CA MET A 18 -52.618 -2.714 17.791 1.00106.61 C0 +ATOM 3 C MET A 18 -51.307 -3.137 17.109 1.00106.47 C0 +ATOM 4 O MET A 18 -51.289 -4.144 16.358 1.00104.73 O0 +ATOM 5 CB MET A 18 -52.671 -3.303 19.207 1.00111.14 C0 +ATOM 6 H1 MET A 18 -54.298 -3.732 17.483 1.00110.40 H0 +ATOM 7 H2 MET A 18 -53.469 -3.636 16.204 1.00110.40 H0 +ATOM 8 H3 MET A 18 -54.305 -2.412 16.714 1.00110.40 H0 +ATOM 9 HA MET A 18 -52.653 -1.732 17.861 1.00106.61 H0 +ATOM 10 HB2 MET A 18 -52.711 -2.566 19.852 1.00111.14 H0 +ATOM 11 HB3 MET A 18 -53.469 -3.863 19.283 0.00111.14 H0 +ATOM 12 N PHE A 19 -50.246 -2.366 17.336 1.00 98.70 N0 +ATOM 13 CA PHE A 19 -48.847 -2.808 17.135 1.00 94.97 C0 +ATOM 14 C PHE A 19 -48.482 -3.683 18.335 1.00 89.76 C0 +ATOM 15 O PHE A 19 -48.519 -3.171 19.469 1.00 83.90 O0 +ATOM 16 CB PHE A 19 -47.902 -1.617 17.019 1.00 85.28 C0 +ATOM 17 CG PHE A 19 -46.455 -1.954 17.262 1.00 80.31 C0 +ATOM 18 CD1 PHE A 19 -45.941 -1.977 18.553 1.00 71.81 C0 +ATOM 19 CD2 PHE A 19 -45.606 -2.227 16.197 1.00 75.37 C0 +ATOM 20 CE1 PHE A 19 -44.603 -2.263 18.776 1.00 74.76 C0 +ATOM 21 CE2 PHE A 19 -44.267 -2.510 16.423 1.00 73.96 C0 +ATOM 22 CZ PHE A 19 -43.769 -2.521 17.709 1.00 74.44 C0 +ATOM 23 H PHE A 19 -50.424 -1.427 17.664 1.00 98.70 H0 +ATOM 24 HA PHE A 19 -48.802 -3.346 16.304 1.00 94.97 H0 +ATOM 25 HB2 PHE A 19 -47.997 -1.232 16.123 1.00 85.28 H0 +ATOM 26 HB3 PHE A 19 -48.185 -0.933 17.661 1.00 85.28 H0 +ATOM 27 HD1 PHE A 19 -46.506 -1.779 19.283 1.00 71.81 H0 +ATOM 28 HD2 PHE A 19 -45.941 -2.221 15.315 1.00 75.37 H0 +ATOM 29 HE1 PHE A 19 -44.267 -2.275 19.658 1.00 74.76 H0 +ATOM 30 HE2 PHE A 19 -43.693 -2.687 15.695 1.00 73.96 H0 +ATOM 31 HZ PHE A 19 -42.857 -2.716 17.859 1.00 74.44 H0 +ATOM 32 N THR A 20 -48.218 -4.968 18.092 1.00 96.07 N0 +ATOM 33 CA THR A 20 -47.985 -5.987 19.150 1.00100.42 C0 +ATOM 34 C THR A 20 -46.645 -6.674 18.879 1.00 87.19 C0 +ATOM 35 O THR A 20 -46.387 -7.083 17.720 1.00 79.40 O0 +ATOM 36 CB THR A 20 -49.165 -6.962 19.275 1.00102.32 C0 +ATOM 37 OG1 THR A 20 -49.633 -7.193 17.947 1.00 94.84 O0 +ATOM 38 CG2 THR A 20 -50.282 -6.444 20.162 1.00104.80 C0 +ATOM 39 H THR A 20 -48.178 -5.247 17.122 1.00 96.07 H0 +ATOM 40 HA THR A 20 -47.936 -5.519 20.020 1.00100.42 H0 +ATOM 41 HB THR A 20 -48.827 -7.810 19.656 1.00102.32 H0 +ATOM 42 HG1 THR A 20 -50.282 -7.724 17.966 0.00 94.84 H0 +ATOM 43 HG21 THR A 20 -49.933 -6.283 21.073 1.00104.80 H0 +ATOM 44 HG22 THR A 20 -51.009 -7.113 20.204 1.00104.80 H0 +ATOM 45 HG23 THR A 20 -50.634 -5.598 19.790 1.00104.80 H0 +ATOM 46 N VAL A 21 -45.814 -6.726 19.917 1.00 82.84 N0 +ATOM 47 CA VAL A 21 -44.554 -7.521 19.957 1.00 83.44 C0 +ATOM 48 C VAL A 21 -44.936 -8.978 20.216 1.00 75.09 C0 +ATOM 49 O VAL A 21 -45.643 -9.244 21.196 1.00 75.64 O0 +ATOM 50 CB VAL A 21 -43.596 -6.999 21.040 1.00 77.94 C0 +ATOM 51 CG1 VAL A 21 -42.435 -7.954 21.275 1.00 78.13 C0 +ATOM 52 CG2 VAL A 21 -43.091 -5.612 20.682 1.00 80.72 C0 +ATOM 53 H VAL A 21 -46.077 -6.179 20.724 1.00 82.84 H0 +ATOM 54 HA VAL A 21 -44.121 -7.455 19.087 1.00 83.44 H0 +ATOM 55 HB VAL A 21 -44.112 -6.931 21.881 1.00 77.94 H0 +ATOM 56 HG11 VAL A 21 -42.778 -8.818 21.561 1.00 78.13 H0 +ATOM 57 HG12 VAL A 21 -41.851 -7.592 21.964 1.00 78.13 H0 +ATOM 58 HG13 VAL A 21 -41.932 -8.063 20.449 1.00 78.13 H0 +ATOM 59 HG21 VAL A 21 -42.618 -5.648 19.833 1.00 80.72 H0 +ATOM 60 HG22 VAL A 21 -42.487 -5.297 21.377 1.00 80.72 H0 +ATOM 61 HG23 VAL A 21 -43.845 -5.001 20.607 1.00 80.72 H0 +ATOM 62 N THR A 22 -44.496 -9.873 19.346 1.00 80.41 N0 +ATOM 63 CA THR A 22 -44.711 -11.336 19.472 1.00 90.89 C0 +ATOM 64 C THR A 22 -43.426 -12.003 19.990 1.00 90.28 C0 +ATOM 65 O THR A 22 -42.300 -11.550 19.655 1.00 81.28 O0 +ATOM 66 CB THR A 22 -45.232 -11.885 18.140 1.00 92.96 C0 +ATOM 67 OG1 THR A 22 -46.647 -11.756 18.271 1.00 85.23 O0 +ATOM 68 CG2 THR A 22 -44.834 -13.316 17.842 1.00105.22 C0 +ATOM 69 H THR A 22 -43.983 -9.517 18.552 1.00 80.41 H0 +ATOM 70 HA THR A 22 -45.430 -11.484 20.134 1.00 90.89 H0 +ATOM 71 HB THR A 22 -44.881 -11.315 17.411 1.00 92.96 H0 +ATOM 72 HG1 THR A 22 -47.021 -12.038 17.575 0.00 85.23 H0 +ATOM 73 HG21 THR A 22 -43.848 -13.386 17.810 1.00105.22 H0 +ATOM 74 HG22 THR A 22 -45.209 -13.589 16.968 1.00105.22 H0 +ATOM 75 HG23 THR A 22 -45.183 -13.911 18.550 1.00105.22 H0 +ATOM 76 N VAL A 23 -43.595 -13.062 20.772 1.00 85.53 N0 +ATOM 77 CA VAL A 23 -42.468 -13.906 21.253 1.00 82.06 C0 +ATOM 78 C VAL A 23 -42.786 -15.357 20.890 1.00 80.08 C0 +ATOM 79 O VAL A 23 -43.784 -15.927 21.342 1.00 75.63 O0 +ATOM 80 CB VAL A 23 -42.260 -13.607 22.749 1.00 80.10 C0 +ATOM 81 CG1 VAL A 23 -42.878 -14.619 23.702 1.00 77.15 C0 +ATOM 82 CG2 VAL A 23 -40.808 -13.369 23.052 1.00 82.85 C0 +ATOM 83 H VAL A 23 -44.538 -13.296 21.047 1.00 85.53 H0 +ATOM 84 HA VAL A 23 -41.658 -13.632 20.787 1.00 82.06 H0 +ATOM 85 HB VAL A 23 -42.755 -12.776 22.953 1.00 80.10 H0 +ATOM 86 HG11 VAL A 23 -43.839 -14.656 23.557 1.00 77.15 H0 +ATOM 87 HG12 VAL A 23 -42.698 -14.352 24.620 1.00 77.15 H0 +ATOM 88 HG13 VAL A 23 -42.492 -15.497 23.538 1.00 77.15 H0 +ATOM 89 HG21 VAL A 23 -40.293 -14.160 22.817 1.00 82.85 H0 +ATOM 90 HG22 VAL A 23 -40.700 -13.182 24.001 1.00 82.85 H0 +ATOM 91 HG23 VAL A 23 -40.488 -12.610 22.534 1.00 82.85 H0 +ATOM 92 N PRO A 24 -42.000 -15.984 19.987 1.00 79.41 N0 +ATOM 93 CA PRO A 24 -42.312 -17.337 19.523 1.00 81.42 C0 +ATOM 94 C PRO A 24 -42.220 -18.362 20.669 1.00 86.73 C0 +ATOM 95 O PRO A 24 -42.955 -19.329 20.649 1.00 84.46 O0 +ATOM 96 CB PRO A 24 -41.275 -17.572 18.420 1.00 77.26 C0 +ATOM 97 CG PRO A 24 -40.111 -16.699 18.821 1.00 81.09 C0 +ATOM 98 CD PRO A 24 -40.751 -15.462 19.415 1.00 81.24 C0 +ATOM 99 HA PRO A 24 -43.222 -17.347 19.132 1.00 81.42 H0 +ATOM 100 HB2 PRO A 24 -41.017 -18.516 18.376 1.00 77.26 H0 +ATOM 101 HB3 PRO A 24 -41.630 -17.316 17.543 1.00 77.26 H0 +ATOM 102 HG2 PRO A 24 -39.542 -17.155 19.476 1.00 81.09 H0 +ATOM 103 HG3 PRO A 24 -39.559 -16.475 18.043 1.00 81.09 H0 +ATOM 104 HD2 PRO A 24 -40.172 -15.062 20.097 1.00 81.24 H0 +ATOM 105 HD3 PRO A 24 -40.915 -14.788 18.723 1.00 81.24 H0 +ATOM 106 N LYS A 25 -41.359 -18.114 21.662 1.00 82.88 N0 +ATOM 107 CA LYS A 25 -41.361 -18.877 22.935 1.00 82.02 C0 +ATOM 108 C LYS A 25 -41.030 -17.936 24.086 1.00 72.88 C0 +ATOM 109 O LYS A 25 -40.171 -17.051 23.904 1.00 82.64 O0 +ATOM 110 CB LYS A 25 -40.414 -20.079 22.876 1.00 90.17 C0 +ATOM 111 CG LYS A 25 -39.259 -19.950 21.897 1.00 91.24 C0 +ATOM 112 CD LYS A 25 -38.591 -21.274 21.580 1.00 93.87 C0 +ATOM 113 CE LYS A 25 -38.031 -21.973 22.803 1.00 96.51 C0 +ATOM 114 NZ LYS A 25 -36.634 -22.407 22.575 1.00 92.04 N0 +ATOM 115 H LYS A 25 -40.683 -17.375 21.532 1.00 82.88 H0 +ATOM 116 HA LYS A 25 -42.263 -19.246 23.076 1.00 82.02 H0 +ATOM 117 HB2 LYS A 25 -40.049 -20.232 23.772 1.00 90.17 H0 +ATOM 118 HB3 LYS A 25 -40.935 -20.875 22.642 1.00 90.17 H0 +ATOM 119 HG2 LYS A 25 -39.597 -19.559 21.063 1.00 91.24 H0 +ATOM 120 HG3 LYS A 25 -38.591 -19.342 22.279 1.00 91.24 H0 +ATOM 121 HD2 LYS A 25 -39.243 -21.867 21.149 1.00 93.87 H0 +ATOM 122 HD3 LYS A 25 -37.861 -21.120 20.943 1.00 93.87 H0 +ATOM 123 HE2 LYS A 25 -38.060 -21.367 23.568 1.00 96.51 H0 +ATOM 124 HE3 LYS A 25 -38.580 -22.751 23.015 1.00 96.51 H0 +ATOM 125 HZ1 LYS A 25 -36.601 -22.980 21.873 1.00 92.04 H0 +ATOM 126 HZ2 LYS A 25 -36.316 -22.820 23.317 1.00 92.04 H0 +ATOM 127 HZ3 LYS A 25 -36.115 -21.686 22.392 1.00 92.04 H0 +ATOM 128 N ASP A 26 -41.709 -18.160 25.206 1.00 63.83 N0 +ATOM 129 CA ASP A 26 -41.689 -17.334 26.438 1.00 68.59 C0 +ATOM 130 C ASP A 26 -40.891 -18.039 27.533 1.00 62.32 C0 +ATOM 131 O ASP A 26 -40.756 -17.462 28.638 1.00 66.70 O0 +ATOM 132 CB ASP A 26 -43.123 -17.045 26.910 1.00 82.42 C0 +ATOM 133 CG ASP A 26 -43.970 -18.268 27.251 1.00 88.81 C0 +ATOM 134 OD1 ASP A 26 -43.565 -19.397 26.898 1.00 94.68 O0 +ATOM 135 OD2 ASP A 26 -45.040 -18.078 27.867 1.00 85.53 O0 +ATOM 136 H ASP A 26 -42.287 -18.987 25.177 1.00 63.83 H0 +ATOM 137 HA ASP A 26 -41.245 -16.477 26.233 1.00 68.59 H0 +ATOM 138 HB2 ASP A 26 -43.079 -16.500 27.722 1.00 82.42 H0 +ATOM 139 HB3 ASP A 26 -43.594 -16.568 26.197 1.00 82.42 H0 +ATOM 140 N LEU A 27 -40.349 -19.218 27.224 1.00 68.33 N0 +ATOM 141 CA LEU A 27 -39.530 -20.028 28.163 1.00 69.45 C0 +ATOM 142 C LEU A 27 -38.345 -20.650 27.413 1.00 68.98 C0 +ATOM 143 O LEU A 27 -38.575 -21.376 26.426 1.00 61.50 O0 +ATOM 144 CB LEU A 27 -40.423 -21.105 28.781 1.00 74.11 C0 +ATOM 145 CG LEU A 27 -39.741 -22.087 29.732 1.00 82.27 C0 +ATOM 146 CD1 LEU A 27 -38.940 -21.361 30.804 1.00 81.06 C0 +ATOM 147 CD2 LEU A 27 -40.772 -23.015 30.368 1.00 91.02 C0 +ATOM 148 H LEU A 27 -40.516 -19.566 26.291 1.00 68.33 H0 +ATOM 149 HA LEU A 27 -39.179 -19.433 28.865 1.00 69.45 H0 +ATOM 150 HB2 LEU A 27 -41.145 -20.662 29.270 1.00 74.11 H0 +ATOM 151 HB3 LEU A 27 -40.831 -21.620 28.056 1.00 74.11 H0 +ATOM 152 HG LEU A 27 -39.112 -22.638 29.204 1.00 82.27 H0 +ATOM 153 HD11 LEU A 27 -38.255 -20.814 30.382 1.00 81.06 H0 +ATOM 154 HD12 LEU A 27 -38.520 -22.012 31.392 1.00 81.06 H0 +ATOM 155 HD13 LEU A 27 -39.534 -20.792 31.323 1.00 81.06 H0 +ATOM 156 HD21 LEU A 27 -41.419 -22.487 30.867 1.00 91.02 H0 +ATOM 157 HD22 LEU A 27 -40.324 -23.634 30.970 1.00 91.02 H0 +ATOM 158 HD23 LEU A 27 -41.231 -23.516 29.671 1.00 91.02 H0 +ATOM 159 N TYR A 28 -37.126 -20.324 27.843 1.00 63.80 N0 +ATOM 160 CA TYR A 28 -35.859 -20.907 27.340 1.00 62.89 C0 +ATOM 161 C TYR A 28 -35.164 -21.616 28.504 1.00 67.07 C0 +ATOM 162 O TYR A 28 -34.896 -20.994 29.563 1.00 59.24 O0 +ATOM 163 CB TYR A 28 -34.930 -19.857 26.731 1.00 61.12 C0 +ATOM 164 CG TYR A 28 -35.412 -19.233 25.440 1.00 66.54 C0 +ATOM 165 CD1 TYR A 28 -36.376 -18.239 25.448 1.00 59.78 C0 +ATOM 166 CD2 TYR A 28 -34.879 -19.593 24.208 1.00 66.77 C0 +ATOM 167 CE1 TYR A 28 -36.814 -17.635 24.279 1.00 62.87 C0 +ATOM 168 CE2 TYR A 28 -35.318 -19.010 23.025 1.00 68.40 C0 +ATOM 169 CZ TYR A 28 -36.290 -18.022 23.061 1.00 66.66 C0 +ATOM 170 OH TYR A 28 -36.729 -17.409 21.927 1.00 70.09 O0 +ATOM 171 H TYR A 28 -37.091 -19.622 28.569 1.00 63.80 H0 +ATOM 172 HA TYR A 28 -36.074 -21.573 26.638 1.00 62.89 H0 +ATOM 173 HB2 TYR A 28 -34.795 -19.144 27.389 1.00 61.12 H0 +ATOM 174 HB3 TYR A 28 -34.057 -20.272 26.569 1.00 61.12 H0 +ATOM 175 HD1 TYR A 28 -36.734 -17.950 26.271 1.00 59.78 H0 +ATOM 176 HD2 TYR A 28 -34.203 -20.249 24.174 1.00 66.77 H0 +ATOM 177 HE1 TYR A 28 -37.472 -16.960 24.312 1.00 62.87 H0 +ATOM 178 HE2 TYR A 28 -34.953 -19.282 22.199 1.00 68.40 H0 +ATOM 179 HH TYR A 28 -37.318 -16.817 22.123 0.00 70.09 H0 +ATOM 180 N VAL A 29 -34.899 -22.909 28.316 1.00 68.69 N0 +ATOM 181 CA VAL A 29 -33.963 -23.670 29.179 1.00 62.52 C0 +ATOM 182 C VAL A 29 -32.626 -23.693 28.456 1.00 56.35 C0 +ATOM 183 O VAL A 29 -32.549 -24.233 27.369 1.00 62.03 O0 +ATOM 184 CB VAL A 29 -34.479 -25.074 29.519 1.00 69.27 C0 +ATOM 185 CG1 VAL A 29 -33.503 -25.791 30.443 1.00 66.06 C0 +ATOM 186 CG2 VAL A 29 -35.858 -25.025 30.162 1.00 62.33 C0 +ATOM 187 H VAL A 29 -35.359 -23.382 27.552 1.00 68.69 H0 +ATOM 188 HA VAL A 29 -33.868 -23.194 30.024 1.00 62.52 H0 +ATOM 189 HB VAL A 29 -34.562 -25.570 28.667 1.00 69.27 H0 +ATOM 190 HG11 VAL A 29 -32.638 -25.869 30.004 1.00 66.06 H0 +ATOM 191 HG12 VAL A 29 -33.844 -26.679 30.650 1.00 66.06 H0 +ATOM 192 HG13 VAL A 29 -33.403 -25.283 31.267 1.00 66.06 H0 +ATOM 193 HG21 VAL A 29 -35.815 -24.506 30.984 1.00 62.33 H0 +ATOM 194 HG22 VAL A 29 -36.155 -25.929 30.364 1.00 62.33 H0 +ATOM 195 HG23 VAL A 29 -36.488 -24.607 29.549 1.00 62.33 H0 +ATOM 196 N VAL A 30 -31.616 -23.125 29.090 1.00 63.44 N0 +ATOM 197 CA VAL A 30 -30.282 -22.824 28.507 1.00 64.24 C0 +ATOM 198 C VAL A 30 -29.212 -23.526 29.353 1.00 63.71 C0 +ATOM 199 O VAL A 30 -29.346 -23.579 30.584 1.00 66.15 O0 +ATOM 200 CB VAL A 30 -30.068 -21.301 28.453 1.00 61.31 C0 +ATOM 201 CG1 VAL A 30 -28.622 -20.946 28.205 1.00 68.79 C0 +ATOM 202 CG2 VAL A 30 -30.942 -20.683 27.387 1.00 63.23 C0 +ATOM 203 H VAL A 30 -31.797 -22.886 30.054 1.00 63.44 H0 +ATOM 204 HA VAL A 30 -30.252 -23.186 27.603 1.00 64.24 H0 +ATOM 205 HB VAL A 30 -30.344 -20.935 29.329 1.00 61.31 H0 +ATOM 206 HG11 VAL A 30 -28.071 -21.306 28.922 1.00 68.79 H0 +ATOM 207 HG12 VAL A 30 -28.525 -19.978 28.177 1.00 68.79 H0 +ATOM 208 HG13 VAL A 30 -28.336 -21.324 27.356 1.00 68.79 H0 +ATOM 209 HG21 VAL A 30 -30.717 -21.065 26.521 1.00 63.23 H0 +ATOM 210 HG22 VAL A 30 -30.796 -19.721 27.365 1.00 63.23 H0 +ATOM 211 HG23 VAL A 30 -31.877 -20.864 27.588 1.00 63.23 H0 +ATOM 212 N GLU A 31 -28.187 -24.047 28.701 1.00 58.73 N0 +ATOM 213 CA GLU A 31 -27.097 -24.811 29.347 1.00 61.24 C0 +ATOM 214 C GLU A 31 -26.022 -23.813 29.765 1.00 57.45 C0 +ATOM 215 O GLU A 31 -25.613 -22.976 28.941 1.00 56.93 O0 +ATOM 216 CB GLU A 31 -26.570 -25.887 28.393 1.00 62.77 C0 +ATOM 217 CG GLU A 31 -27.627 -26.907 27.993 1.00 71.86 C0 +ATOM 218 CD GLU A 31 -28.133 -27.765 29.146 1.00 75.40 C0 +ATOM 219 OE1 GLU A 31 -27.289 -28.339 29.856 1.00 80.69 O0 +ATOM 220 OE2 GLU A 31 -29.357 -27.858 29.328 1.00 81.84 O0 +ATOM 221 H GLU A 31 -28.163 -23.905 27.701 1.00 58.73 H0 +ATOM 222 HA GLU A 31 -27.460 -25.260 30.145 1.00 61.24 H0 +ATOM 223 HB2 GLU A 31 -26.229 -25.448 27.586 1.00 62.77 H0 +ATOM 224 HB3 GLU A 31 -25.826 -26.353 28.829 1.00 62.77 H0 +ATOM 225 HG2 GLU A 31 -28.389 -26.435 27.595 1.00 71.86 H0 +ATOM 226 HG3 GLU A 31 -27.255 -27.496 27.303 1.00 71.86 H0 +ATOM 227 N TYR A 32 -25.578 -23.919 31.011 1.00 55.38 N0 +ATOM 228 CA TYR A 32 -24.518 -23.069 31.583 1.00 57.00 C0 +ATOM 229 C TYR A 32 -23.366 -23.022 30.581 1.00 62.69 C0 +ATOM 230 O TYR A 32 -22.996 -24.067 30.059 1.00 66.81 O0 +ATOM 231 CB TYR A 32 -24.121 -23.651 32.938 1.00 62.95 C0 +ATOM 232 CG TYR A 32 -23.138 -22.848 33.751 1.00 62.87 C0 +ATOM 233 CD1 TYR A 32 -21.773 -23.003 33.580 1.00 69.38 C0 +ATOM 234 CD2 TYR A 32 -23.570 -22.015 34.769 1.00 63.58 C0 +ATOM 235 CE1 TYR A 32 -20.862 -22.301 34.358 1.00 72.45 C0 +ATOM 236 CE2 TYR A 32 -22.680 -21.309 35.559 1.00 68.23 C0 +ATOM 237 CZ TYR A 32 -21.320 -21.451 35.349 1.00 77.55 C0 +ATOM 238 OH TYR A 32 -20.443 -20.744 36.113 1.00 74.91 O0 +ATOM 239 H TYR A 32 -26.004 -24.631 31.588 1.00 55.38 H0 +ATOM 240 HA TYR A 32 -24.879 -22.155 31.708 1.00 57.00 H0 +ATOM 241 HB2 TYR A 32 -24.932 -23.768 33.475 1.00 62.95 H0 +ATOM 242 HB3 TYR A 32 -23.737 -24.541 32.792 1.00 62.95 H0 +ATOM 243 HD1 TYR A 32 -21.455 -23.622 32.944 1.00 69.38 H0 +ATOM 244 HD2 TYR A 32 -24.495 -21.927 34.927 1.00 63.58 H0 +ATOM 245 HE1 TYR A 32 -19.936 -22.420 34.227 1.00 72.45 H0 +ATOM 246 HE2 TYR A 32 -22.995 -20.730 36.234 1.00 68.23 H0 +ATOM 247 HH TYR A 32 -19.638 -20.919 35.874 0.00 74.91 H0 +ATOM 248 N GLY A 33 -22.875 -21.827 30.278 1.00 59.55 N0 +ATOM 249 CA GLY A 33 -21.694 -21.613 29.432 1.00 52.22 C0 +ATOM 250 C GLY A 33 -22.019 -21.533 27.953 1.00 49.42 C0 +ATOM 251 O GLY A 33 -21.116 -21.152 27.205 1.00 59.33 O0 +ATOM 252 H GLY A 33 -23.357 -21.027 30.662 1.00 59.55 H0 +ATOM 253 HA2 GLY A 33 -21.251 -20.770 29.703 1.00 52.22 H0 +ATOM 254 HA3 GLY A 33 -21.055 -22.356 29.574 1.00 52.22 H0 +ATOM 255 N SER A 34 -23.249 -21.847 27.547 1.00 47.25 N0 +ATOM 256 CA SER A 34 -23.738 -21.761 26.155 1.00 55.01 C0 +ATOM 257 C SER A 34 -23.875 -20.299 25.745 1.00 59.80 C0 +ATOM 258 O SER A 34 -23.684 -19.391 26.580 1.00 60.38 O0 +ATOM 259 CB SER A 34 -25.093 -22.419 26.008 1.00 64.07 C0 +ATOM 260 OG SER A 34 -25.013 -23.768 26.394 1.00100.19 O0 +ATOM 261 H SER A 34 -23.877 -22.167 28.271 1.00 47.25 H0 +ATOM 262 HA SER A 34 -23.066 -22.186 25.567 1.00 55.01 H0 +ATOM 263 HB2 SER A 34 -25.750 -21.945 26.575 1.00 64.07 H0 +ATOM 264 HB3 SER A 34 -25.387 -22.355 25.066 1.00 64.07 H0 +ATOM 265 HG SER A 34 -25.771 -24.116 26.306 0.00100.19 H0 +ATOM 266 N ASN A 35 -24.286 -20.106 24.498 1.00 64.29 N0 +ATOM 267 CA ASN A 35 -24.791 -18.817 23.990 1.00 63.08 C0 +ATOM 268 C ASN A 35 -26.277 -19.008 23.800 1.00 65.52 C0 +ATOM 269 O ASN A 35 -26.671 -20.110 23.391 1.00 66.03 O0 +ATOM 270 CB ASN A 35 -24.077 -18.404 22.707 1.00 70.65 C0 +ATOM 271 CG ASN A 35 -22.575 -18.409 22.889 1.00 73.46 C0 +ATOM 272 OD1 ASN A 35 -22.071 -18.009 23.939 1.00 80.28 O0 +ATOM 273 ND2 ASN A 35 -21.858 -18.900 21.894 1.00 74.16 N0 +ATOM 274 H ASN A 35 -24.244 -20.899 23.874 1.00 64.29 H0 +ATOM 275 HA ASN A 35 -24.616 -18.123 24.668 1.00 63.08 H0 +ATOM 276 HB2 ASN A 35 -24.329 -19.022 21.991 1.00 70.65 H0 +ATOM 277 HB3 ASN A 35 -24.379 -17.509 22.450 1.00 70.65 H0 +ATOM 278 HD21 ASN A 35 -20.976 -18.924 21.954 1.00 74.16 H0 +ATOM 279 HD22 ASN A 35 -22.259 -19.205 21.168 1.00 74.16 H0 +ATOM 280 N MET A 36 -27.065 -17.996 24.146 1.00 65.60 N0 +ATOM 281 CA MET A 36 -28.508 -18.027 23.854 1.00 61.74 C0 +ATOM 282 C MET A 36 -28.844 -16.831 22.984 1.00 56.67 C0 +ATOM 283 O MET A 36 -28.245 -15.755 23.138 1.00 56.46 O0 +ATOM 284 CB MET A 36 -29.382 -18.002 25.109 1.00 59.79 C0 +ATOM 285 CG MET A 36 -29.088 -16.869 26.064 1.00 60.70 C0 +ATOM 286 SD MET A 36 -30.362 -16.870 27.398 1.00 71.07 S0 +ATOM 287 CE MET A 36 -29.875 -15.438 28.361 1.00 65.17 C0 +ATOM 288 H MET A 36 -26.675 -17.192 24.616 1.00 65.60 H0 +ATOM 289 HA MET A 36 -28.709 -18.855 23.360 1.00 61.74 H0 +ATOM 290 HB2 MET A 36 -30.319 -17.938 24.837 1.00 59.79 H0 +ATOM 291 HB3 MET A 36 -29.264 -18.846 25.589 1.00 59.79 H0 +ATOM 292 HG2 MET A 36 -28.190 -16.989 26.440 1.00 60.70 H0 +ATOM 293 HG3 MET A 36 -29.100 -16.021 25.572 1.00 60.70 H0 +ATOM 294 HE1 MET A 36 -30.477 -15.332 29.102 1.00 65.17 H0 +ATOM 295 HE2 MET A 36 -28.981 -15.563 28.689 1.00 65.17 H0 +ATOM 296 HE3 MET A 36 -29.907 -14.651 27.804 1.00 65.17 H0 +ATOM 297 N THR A 37 -29.834 -17.064 22.152 1.00 54.30 N0 +ATOM 298 CA THR A 37 -30.529 -16.051 21.367 1.00 62.58 C0 +ATOM 299 C THR A 37 -31.980 -16.095 21.805 1.00 56.14 C0 +ATOM 300 O THR A 37 -32.582 -17.163 21.680 1.00 64.63 O0 +ATOM 301 CB THR A 37 -30.280 -16.318 19.888 1.00 67.91 C0 +ATOM 302 OG1 THR A 37 -28.859 -16.232 19.844 1.00 67.61 O0 +ATOM 303 CG2 THR A 37 -30.955 -15.310 18.983 1.00 74.06 C0 +ATOM 304 H THR A 37 -30.116 -18.030 22.069 1.00 54.30 H0 +ATOM 305 HA THR A 37 -30.135 -15.170 21.586 1.00 62.58 H0 +ATOM 306 HB THR A 37 -30.625 -17.219 19.673 1.00 67.91 H0 +ATOM 307 HG1 THR A 37 -28.593 -16.365 19.059 0.00 67.61 H0 +ATOM 308 HG21 THR A 37 -31.933 -15.335 19.130 1.00 74.06 H0 +ATOM 309 HG22 THR A 37 -30.761 -15.531 18.039 1.00 74.06 H0 +ATOM 310 HG23 THR A 37 -30.615 -14.404 19.185 1.00 74.06 H0 +ATOM 311 N ILE A 38 -32.511 -14.984 22.325 1.00 62.73 N0 +ATOM 312 CA ILE A 38 -33.959 -14.907 22.678 1.00 65.98 C0 +ATOM 313 C ILE A 38 -34.585 -13.865 21.762 1.00 64.93 C0 +ATOM 314 O ILE A 38 -33.952 -12.839 21.534 1.00 63.31 O0 +ATOM 315 CB ILE A 38 -34.176 -14.664 24.183 1.00 65.45 C0 +ATOM 316 CG1 ILE A 38 -33.501 -13.398 24.704 1.00 75.64 C0 +ATOM 317 CG2 ILE A 38 -33.700 -15.884 24.954 1.00 77.14 C0 +ATOM 318 CD1 ILE A 38 -33.839 -13.076 26.144 1.00 77.56 C0 +ATOM 319 H ILE A 38 -31.922 -14.179 22.483 1.00 62.73 H0 +ATOM 320 HA ILE A 38 -34.364 -15.775 22.504 1.00 65.98 H0 +ATOM 321 HB ILE A 38 -35.149 -14.562 24.329 1.00 65.45 H0 +ATOM 322 HG12 ILE A 38 -32.529 -13.503 24.623 1.00 75.64 H0 +ATOM 323 HG13 ILE A 38 -33.770 -12.643 24.139 1.00 75.64 H0 +ATOM 324 HG21 ILE A 38 -34.207 -16.666 24.675 1.00 77.14 H0 +ATOM 325 HG22 ILE A 38 -33.835 -15.742 25.907 1.00 77.14 H0 +ATOM 326 HG23 ILE A 38 -32.754 -16.033 24.780 1.00 77.14 H0 +ATOM 327 HD11 ILE A 38 -34.799 -12.948 26.232 1.00 77.56 H0 +ATOM 328 HD12 ILE A 38 -33.379 -12.262 26.412 1.00 77.56 H0 +ATOM 329 HD13 ILE A 38 -33.557 -13.810 26.717 1.00 77.56 H0 +ATOM 330 N GLU A 39 -35.753 -14.180 21.217 1.00 76.20 N0 +ATOM 331 CA GLU A 39 -36.343 -13.462 20.065 1.00 74.34 C0 +ATOM 332 C GLU A 39 -37.557 -12.665 20.518 1.00 74.80 C0 +ATOM 333 O GLU A 39 -38.348 -13.249 21.258 1.00 72.29 O0 +ATOM 334 CB GLU A 39 -36.741 -14.494 19.026 1.00 78.92 C0 +ATOM 335 CG GLU A 39 -35.603 -15.431 18.672 1.00 82.51 C0 +ATOM 336 CD GLU A 39 -35.701 -15.977 17.263 1.00 85.75 C0 +ATOM 337 OE1 GLU A 39 -34.821 -15.647 16.446 1.00 94.82 O0 +ATOM 338 OE2 GLU A 39 -36.685 -16.688 16.972 1.00 96.09 O0 +ATOM 339 H GLU A 39 -36.255 -14.956 21.623 1.00 76.20 H0 +ATOM 340 HA GLU A 39 -35.671 -12.834 19.711 1.00 74.34 H0 +ATOM 341 HB2 GLU A 39 -37.493 -15.015 19.376 1.00 78.92 H0 +ATOM 342 HB3 GLU A 39 -37.038 -14.025 18.219 1.00 78.92 H0 +ATOM 343 HG2 GLU A 39 -34.753 -14.952 18.774 1.00 82.51 H0 +ATOM 344 HG3 GLU A 39 -35.596 -16.178 19.308 1.00 82.51 H0 +ATOM 345 N CYS A 40 -37.645 -11.386 20.113 1.00 82.23 N0 +ATOM 346 CA CYS A 40 -38.905 -10.592 20.003 1.00 80.93 C0 +ATOM 347 C CYS A 40 -39.170 -10.305 18.527 1.00 80.45 C0 +ATOM 348 O CYS A 40 -38.223 -9.883 17.815 1.00 75.01 O0 +ATOM 349 CB CYS A 40 -38.885 -9.325 20.853 1.00 78.41 C0 +ATOM 350 SG CYS A 40 -39.256 -9.785 22.562 1.00112.53 S0 +ATOM 351 H CYS A 40 -36.766 -10.952 19.869 1.00 82.23 H0 +ATOM 352 HA CYS A 40 -39.644 -11.141 20.363 1.00 80.93 H0 +ATOM 353 HB2 CYS A 40 -37.994 -8.901 20.782 1.00 78.41 H0 +ATOM 354 HB3 CYS A 40 -39.554 -8.688 20.500 1.00 78.41 H0 +ATOM 355 N LYS A 41 -40.395 -10.606 18.090 1.00 77.72 N0 +ATOM 356 CA LYS A 41 -40.884 -10.347 16.712 1.00 86.72 C0 +ATOM 357 C LYS A 41 -41.771 -9.099 16.757 1.00 77.88 C0 +ATOM 358 O LYS A 41 -42.621 -9.000 17.671 1.00 76.97 O0 +ATOM 359 CB LYS A 41 -41.631 -11.575 16.179 1.00 96.03 C0 +ATOM 360 CG LYS A 41 -40.795 -12.842 16.018 1.00102.98 C0 +ATOM 361 CD LYS A 41 -39.649 -12.707 15.027 1.00109.18 C0 +ATOM 362 CE LYS A 41 -39.212 -14.023 14.412 1.00109.12 C0 +ATOM 363 NZ LYS A 41 -38.380 -13.805 13.204 1.00102.27 N0 +ATOM 364 H LYS A 41 -41.015 -11.039 18.759 1.00 77.72 H0 +ATOM 365 HA LYS A 41 -40.106 -10.177 16.131 1.00 86.72 H0 +ATOM 366 HB2 LYS A 41 -42.378 -11.772 16.782 1.00 96.03 H0 +ATOM 367 HB3 LYS A 41 -42.021 -11.349 15.309 1.00 96.03 H0 +ATOM 368 HG2 LYS A 41 -40.422 -13.084 16.892 1.00102.98 H0 +ATOM 369 HG3 LYS A 41 -41.382 -13.568 15.716 1.00102.98 H0 +ATOM 370 HD2 LYS A 41 -39.920 -12.101 14.305 1.00109.18 H0 +ATOM 371 HD3 LYS A 41 -38.878 -12.305 15.482 1.00109.18 H0 +ATOM 372 HE2 LYS A 41 -38.700 -14.535 15.066 1.00109.12 H0 +ATOM 373 HE3 LYS A 41 -39.998 -14.548 14.169 1.00109.12 H0 +ATOM 374 HZ1 LYS A 41 -38.853 -13.341 12.585 1.00102.27 H0 +ATOM 375 HZ2 LYS A 41 -38.129 -14.604 12.856 1.00102.27 H0 +ATOM 376 HZ3 LYS A 41 -37.638 -13.332 13.424 1.00102.27 H0 +ATOM 377 N PHE A 42 -41.547 -8.157 15.844 1.00 79.74 N0 +ATOM 378 CA PHE A 42 -42.393 -6.943 15.674 1.00 79.70 C0 +ATOM 379 C PHE A 42 -42.647 -6.703 14.185 1.00 71.33 C0 +ATOM 380 O PHE A 42 -41.784 -7.002 13.362 1.00 67.56 O0 +ATOM 381 CB PHE A 42 -41.732 -5.744 16.355 1.00 72.37 C0 +ATOM 382 CG PHE A 42 -40.438 -5.330 15.706 1.00 73.43 C0 +ATOM 383 CD1 PHE A 42 -39.245 -5.935 16.050 1.00 72.97 C0 +ATOM 384 CD2 PHE A 42 -40.420 -4.356 14.725 1.00 73.27 C0 +ATOM 385 CE1 PHE A 42 -38.056 -5.559 15.446 1.00 70.74 C0 +ATOM 386 CE2 PHE A 42 -39.229 -3.969 14.134 1.00 72.80 C0 +ATOM 387 CZ PHE A 42 -38.046 -4.569 14.499 1.00 73.45 C0 +ATOM 388 H PHE A 42 -40.750 -8.291 15.238 1.00 79.74 H0 +ATOM 389 HA PHE A 42 -43.264 -7.100 16.119 1.00 79.70 H0 +ATOM 390 HB2 PHE A 42 -42.362 -4.994 16.341 1.00 72.37 H0 +ATOM 391 HB3 PHE A 42 -41.571 -5.971 17.295 1.00 72.37 H0 +ATOM 392 HD1 PHE A 42 -39.240 -6.618 16.701 1.00 72.97 H0 +ATOM 393 HD2 PHE A 42 -41.230 -3.952 14.457 1.00 73.27 H0 +ATOM 394 HE1 PHE A 42 -37.250 -5.983 15.693 1.00 70.74 H0 +ATOM 395 HE2 PHE A 42 -39.228 -3.286 13.482 1.00 72.80 H0 +ATOM 396 HZ PHE A 42 -37.234 -4.316 14.090 1.00 73.45 H0 +ATOM 397 N PRO A 43 -43.821 -6.145 13.797 1.00 88.94 N0 +ATOM 398 CA PRO A 43 -44.164 -5.940 12.387 1.00 91.90 C0 +ATOM 399 C PRO A 43 -43.253 -4.931 11.677 1.00 81.87 C0 +ATOM 400 O PRO A 43 -42.982 -3.876 12.203 1.00 87.42 O0 +ATOM 401 CB PRO A 43 -45.597 -5.394 12.420 1.00 90.63 C0 +ATOM 402 CG PRO A 43 -46.116 -5.788 13.788 1.00 97.15 C0 +ATOM 403 CD PRO A 43 -44.901 -5.681 14.685 1.00 95.73 C0 +ATOM 404 HA PRO A 43 -44.117 -6.806 11.910 1.00 91.90 H0 +ATOM 405 HB2 PRO A 43 -45.605 -4.421 12.302 1.00 90.63 H0 +ATOM 406 HB3 PRO A 43 -46.140 -5.788 11.706 1.00 90.63 H0 +ATOM 407 HG2 PRO A 43 -46.831 -5.184 14.077 1.00 97.15 H0 +ATOM 408 HG3 PRO A 43 -46.475 -6.700 13.776 1.00 97.15 H0 +ATOM 409 HD2 PRO A 43 -44.769 -4.757 14.985 1.00 95.73 H0 +ATOM 410 HD3 PRO A 43 -45.002 -6.246 15.479 1.00 95.73 H0 +ATOM 411 N VAL A 44 -42.784 -5.322 10.504 1.00 88.20 N0 +ATOM 412 CA VAL A 44 -41.981 -4.406 9.656 1.00107.30 C0 +ATOM 413 C VAL A 44 -42.494 -4.636 8.234 1.00116.22 C0 +ATOM 414 O VAL A 44 -42.482 -5.786 7.768 1.00114.20 O0 +ATOM 415 CB VAL A 44 -40.468 -4.637 9.802 1.00108.91 C0 +ATOM 416 CG1 VAL A 44 -40.032 -6.014 9.341 1.00115.65 C0 +ATOM 417 CG2 VAL A 44 -39.671 -3.565 9.083 1.00125.41 C0 +ATOM 418 H VAL A 44 -42.973 -6.258 10.176 1.00 88.20 H0 +ATOM 419 HA VAL A 44 -42.161 -3.491 9.936 1.00107.30 H0 +ATOM 420 HB VAL A 44 -40.254 -4.577 10.766 1.00108.91 H0 +ATOM 421 HG11 VAL A 44 -40.487 -6.693 9.869 1.00115.65 H0 +ATOM 422 HG12 VAL A 44 -39.070 -6.105 9.455 1.00115.65 H0 +ATOM 423 HG13 VAL A 44 -40.259 -6.129 8.402 1.00115.65 H0 +ATOM 424 HG21 VAL A 44 -39.894 -3.574 8.136 1.00125.41 H0 +ATOM 425 HG22 VAL A 44 -38.720 -3.738 9.194 1.00125.41 H0 +ATOM 426 HG23 VAL A 44 -39.887 -2.693 9.458 1.00125.41 H0 +ATOM 427 N GLU A 45 -43.044 -3.601 7.607 1.00141.15 N0 +ATOM 428 CA GLU A 45 -43.647 -3.770 6.259 1.00136.61 C0 +ATOM 429 C GLU A 45 -42.567 -3.554 5.203 1.00129.13 C0 +ATOM 430 O GLU A 45 -42.111 -4.543 4.618 1.00133.47 O0 +ATOM 431 CB GLU A 45 -44.804 -2.794 6.057 1.00131.68 C0 +ATOM 432 CG GLU A 45 -46.066 -3.177 6.807 1.00136.60 C0 +ATOM 433 CD GLU A 45 -46.197 -2.610 8.210 1.00144.31 C0 +ATOM 434 OE1 GLU A 45 -46.994 -1.669 8.392 1.00130.50 O0 +ATOM 435 OE2 GLU A 45 -45.514 -3.117 9.120 1.00145.35 O0 +ATOM 436 H GLU A 45 -43.057 -2.689 8.042 1.00141.15 H0 +ATOM 437 HA GLU A 45 -43.989 -4.690 6.183 1.00136.61 H0 +ATOM 438 HB2 GLU A 45 -44.518 -1.906 6.356 1.00131.68 H0 +ATOM 439 HB3 GLU A 45 -45.009 -2.747 5.100 1.00131.68 H0 +ATOM 440 HG2 GLU A 45 -46.845 -2.881 6.290 1.00136.60 H0 +ATOM 441 HG3 GLU A 45 -46.112 -4.155 6.873 1.00136.60 H0 +ATOM 442 N LYS A 46 -42.170 -2.308 4.983 1.00127.84 N0 +ATOM 443 CA LYS A 46 -41.193 -2.028 3.908 1.00128.06 C0 +ATOM 444 C LYS A 46 -39.835 -1.828 4.543 1.00127.87 C0 +ATOM 445 O LYS A 46 -39.618 -2.372 5.635 1.00131.03 O0 +ATOM 446 CB LYS A 46 -41.559 -0.731 3.190 1.00111.63 C0 +ATOM 447 H LYS A 46 -42.524 -1.542 5.538 1.00127.84 H0 +ATOM 448 HA LYS A 46 -41.159 -2.807 3.306 1.00128.06 H0 +ATOM 449 HB2 LYS A 46 -42.467 -0.818 2.833 1.00111.63 H0 +ATOM 450 HB3 LYS A 46 -41.582 -0.006 3.849 0.00111.63 H0 +ATOM 451 N GLN A 47 -38.952 -1.094 3.870 1.00126.40 N0 +ATOM 452 CA GLN A 47 -37.673 -0.746 4.542 1.00128.08 C0 +ATOM 453 C GLN A 47 -38.027 -0.103 5.894 1.00125.62 C0 +ATOM 454 O GLN A 47 -39.005 0.682 5.920 1.00115.36 O0 +ATOM 455 CB GLN A 47 -36.866 0.186 3.633 1.00121.68 C0 +ATOM 456 CG GLN A 47 -35.417 0.364 4.070 1.00131.47 C0 +ATOM 457 CD GLN A 47 -34.428 0.514 2.938 1.00130.93 C0 +ATOM 458 OE1 GLN A 47 -33.319 1.012 3.131 1.00125.15 O0 +ATOM 459 NE2 GLN A 47 -34.800 0.067 1.748 1.00128.07 N0 +ATOM 460 H GLN A 47 -39.118 -0.768 2.929 1.00126.40 H0 +ATOM 461 HA GLN A 47 -37.163 -1.575 4.691 1.00128.08 H0 +ATOM 462 HB2 GLN A 47 -36.883 -0.175 2.722 1.00121.68 H0 +ATOM 463 HB3 GLN A 47 -37.305 1.062 3.616 1.00121.68 H0 +ATOM 464 HG2 GLN A 47 -35.346 1.162 4.636 1.00131.47 H0 +ATOM 465 HG3 GLN A 47 -35.144 -0.412 4.605 1.00131.47 H0 +ATOM 466 HE21 GLN A 47 -34.251 0.135 1.058 1.00128.07 H0 +ATOM 467 HE22 GLN A 47 -35.597 -0.300 1.643 1.00128.07 H0 +ATOM 468 N LEU A 48 -37.312 -0.435 6.980 1.00118.67 N0 +ATOM 469 CA LEU A 48 -37.607 0.153 8.323 1.00125.46 C0 +ATOM 470 C LEU A 48 -36.909 1.510 8.480 1.00116.44 C0 +ATOM 471 O LEU A 48 -35.753 1.654 8.014 1.00112.36 O0 +ATOM 472 CB LEU A 48 -37.262 -0.787 9.492 1.00132.93 C0 +ATOM 473 CG LEU A 48 -36.002 -1.652 9.420 1.00133.15 C0 +ATOM 474 CD1 LEU A 48 -34.742 -0.848 9.123 1.00140.29 C0 +ATOM 475 CD2 LEU A 48 -35.837 -2.410 10.726 1.00123.10 C0 +ATOM 476 H LEU A 48 -36.556 -1.098 6.888 1.00118.67 H0 +ATOM 477 HA LEU A 48 -38.579 0.296 8.395 1.00125.46 H0 +ATOM 478 HB2 LEU A 48 -37.179 -0.249 10.305 1.00132.93 H0 +ATOM 479 HB3 LEU A 48 -38.010 -1.403 9.622 1.00132.93 H0 +ATOM 480 HG LEU A 48 -36.119 -2.304 8.686 1.00133.15 H0 +ATOM 481 HD11 LEU A 48 -34.839 -0.396 8.267 1.00140.29 H0 +ATOM 482 HD12 LEU A 48 -33.975 -1.446 9.090 1.00140.29 H0 +ATOM 483 HD13 LEU A 48 -34.606 -0.187 9.824 1.00140.29 H0 +ATOM 484 HD21 LEU A 48 -35.756 -1.777 11.461 1.00123.10 H0 +ATOM 485 HD22 LEU A 48 -35.037 -2.962 10.682 1.00123.10 H0 +ATOM 486 HD23 LEU A 48 -36.613 -2.978 10.872 1.00123.10 H0 +ATOM 487 N ASP A 49 -37.617 2.470 9.087 1.00106.16 N0 +ATOM 488 CA ASP A 49 -37.035 3.739 9.602 1.00107.80 C0 +ATOM 489 C ASP A 49 -36.233 3.342 10.847 1.00 93.04 C0 +ATOM 490 O ASP A 49 -36.831 3.197 11.922 1.00 87.30 O0 +ATOM 491 CB ASP A 49 -38.089 4.841 9.820 1.00106.49 C0 +ATOM 492 CG ASP A 49 -39.516 4.341 10.044 1.00116.98 C0 +ATOM 493 OD1 ASP A 49 -39.688 3.117 10.220 1.00133.33 O0 +ATOM 494 OD2 ASP A 49 -40.454 5.171 10.028 1.00103.73 O0 +ATOM 495 H ASP A 49 -38.608 2.304 9.193 1.00106.16 H0 +ATOM 496 HA ASP A 49 -36.440 4.113 8.910 1.00107.80 H0 +ATOM 497 HB2 ASP A 49 -37.839 5.357 10.614 1.00106.49 H0 +ATOM 498 HB3 ASP A 49 -38.109 5.413 9.026 1.00106.49 H0 +ATOM 499 N LEU A 50 -34.937 3.103 10.655 1.00 83.93 N0 +ATOM 500 CA LEU A 50 -33.954 2.742 11.704 1.00 92.12 C0 +ATOM 501 C LEU A 50 -33.985 3.794 12.814 1.00 94.63 C0 +ATOM 502 O LEU A 50 -33.780 3.421 14.007 1.00114.60 O0 +ATOM 503 CB LEU A 50 -32.567 2.647 11.056 1.00 99.87 C0 +ATOM 504 CG LEU A 50 -31.580 1.680 11.710 1.00110.93 C0 +ATOM 505 CD1 LEU A 50 -32.111 0.249 11.683 1.00111.04 C0 +ATOM 506 CD2 LEU A 50 -30.214 1.756 11.034 1.00107.04 C0 +ATOM 507 H LEU A 50 -34.628 3.183 9.697 1.00 83.93 H0 +ATOM 508 HA LEU A 50 -34.211 1.871 12.086 1.00 92.12 H0 +ATOM 509 HB2 LEU A 50 -32.681 2.378 10.123 1.00 99.87 H0 +ATOM 510 HB3 LEU A 50 -32.165 3.538 11.058 1.00 99.87 H0 +ATOM 511 HG LEU A 50 -31.469 1.948 12.655 1.00110.93 H0 +ATOM 512 HD11 LEU A 50 -32.955 0.207 12.166 1.00111.04 H0 +ATOM 513 HD12 LEU A 50 -31.465 -0.345 12.103 1.00111.04 H0 +ATOM 514 HD13 LEU A 50 -32.252 -0.028 10.761 1.00111.04 H0 +ATOM 515 HD21 LEU A 50 -30.304 1.523 10.093 1.00107.04 H0 +ATOM 516 HD22 LEU A 50 -29.603 1.134 11.466 1.00107.04 H0 +ATOM 517 HD23 LEU A 50 -29.863 2.660 11.111 1.00107.04 H0 +ATOM 518 N ALA A 51 -34.245 5.050 12.438 1.00 91.60 N0 +ATOM 519 CA ALA A 51 -34.272 6.225 13.343 1.00 98.24 C0 +ATOM 520 C ALA A 51 -35.421 6.083 14.354 1.00 81.72 C0 +ATOM 521 O ALA A 51 -35.156 6.174 15.587 1.00 97.29 O0 +ATOM 522 CB ALA A 51 -34.400 7.489 12.523 1.00100.68 C0 +ATOM 523 H ALA A 51 -34.435 5.181 11.455 1.00 91.60 H0 +ATOM 524 HA ALA A 51 -33.422 6.256 13.841 1.00 98.24 H0 +ATOM 525 HB1 ALA A 51 -34.418 8.258 13.113 1.00100.68 H0 +ATOM 526 HB2 ALA A 51 -33.643 7.563 11.920 1.00100.68 H0 +ATOM 527 HB3 ALA A 51 -35.223 7.459 12.006 1.00100.68 H0 +ATOM 528 N ALA A 52 -36.629 5.834 13.832 1.00 71.73 N0 +ATOM 529 CA ALA A 52 -37.891 5.617 14.579 1.00 77.42 C0 +ATOM 530 C ALA A 52 -37.783 4.421 15.553 1.00 74.61 C0 +ATOM 531 O ALA A 52 -38.381 4.485 16.678 1.00 64.25 O0 +ATOM 532 CB ALA A 52 -39.018 5.425 13.598 1.00 72.01 C0 +ATOM 533 H ALA A 52 -36.642 5.798 12.823 1.00 71.73 H0 +ATOM 534 HA ALA A 52 -38.079 6.422 15.117 1.00 77.42 H0 +ATOM 535 HB1 ALA A 52 -39.847 5.283 14.080 1.00 72.01 H0 +ATOM 536 HB2 ALA A 52 -39.101 6.214 13.041 1.00 72.01 H0 +ATOM 537 HB3 ALA A 52 -38.833 4.652 13.038 1.00 72.01 H0 +ATOM 538 N LEU A 53 -37.050 3.375 15.171 1.00 65.39 N0 +ATOM 539 CA LEU A 53 -37.035 2.106 15.937 1.00 70.79 C0 +ATOM 540 C LEU A 53 -36.373 2.343 17.295 1.00 66.42 C0 +ATOM 541 O LEU A 53 -35.278 2.943 17.358 1.00 61.00 O0 +ATOM 542 CB LEU A 53 -36.304 0.993 15.181 1.00 76.13 C0 +ATOM 543 CG LEU A 53 -36.211 -0.327 15.949 1.00 72.56 C0 +ATOM 544 CD1 LEU A 53 -37.595 -0.823 16.321 1.00 76.84 C0 +ATOM 545 CD2 LEU A 53 -35.472 -1.381 15.152 1.00 76.01 C0 +ATOM 546 H LEU A 53 -36.489 3.452 14.335 1.00 65.39 H0 +ATOM 547 HA LEU A 53 -37.966 1.819 16.083 1.00 70.79 H0 +ATOM 548 HB2 LEU A 53 -36.768 0.840 14.334 1.00 76.13 H0 +ATOM 549 HB3 LEU A 53 -35.402 1.306 14.969 1.00 76.13 H0 +ATOM 550 HG LEU A 53 -35.700 -0.163 16.780 1.00 72.56 H0 +ATOM 551 HD11 LEU A 53 -38.037 -0.161 16.881 1.00 76.84 H0 +ATOM 552 HD12 LEU A 53 -37.519 -1.662 16.807 1.00 76.84 H0 +ATOM 553 HD13 LEU A 53 -38.117 -0.964 15.512 1.00 76.84 H0 +ATOM 554 HD21 LEU A 53 -35.941 -1.543 14.315 1.00 76.01 H0 +ATOM 555 HD22 LEU A 53 -35.429 -2.206 15.666 1.00 76.01 H0 +ATOM 556 HD23 LEU A 53 -34.569 -1.071 14.962 1.00 76.01 H0 +ATOM 557 N ILE A 54 -37.041 1.864 18.337 1.00 64.08 N0 +ATOM 558 CA ILE A 54 -36.443 1.752 19.690 1.00 60.41 C0 +ATOM 559 C ILE A 54 -36.602 0.316 20.184 1.00 58.97 C0 +ATOM 560 O ILE A 54 -37.742 -0.264 20.159 1.00 52.90 O0 +ATOM 561 CB ILE A 54 -37.091 2.758 20.637 1.00 59.53 C0 +ATOM 562 CG1 ILE A 54 -36.908 4.186 20.121 1.00 60.48 C0 +ATOM 563 CG2 ILE A 54 -36.543 2.598 22.043 1.00 58.49 C0 +ATOM 564 CD1 ILE A 54 -38.027 5.099 20.549 1.00 59.86 C0 +ATOM 565 H ILE A 54 -37.995 1.566 18.194 1.00 64.08 H0 +ATOM 566 HA ILE A 54 -35.492 1.952 19.623 1.00 60.41 H0 +ATOM 567 HB ILE A 54 -38.058 2.555 20.667 1.00 59.53 H0 +ATOM 568 HG12 ILE A 54 -36.054 4.534 20.456 1.00 60.48 H0 +ATOM 569 HG13 ILE A 54 -36.860 4.163 19.141 1.00 60.48 H0 +ATOM 570 HG21 ILE A 54 -36.730 1.700 22.367 1.00 58.49 H0 +ATOM 571 HG22 ILE A 54 -36.967 3.243 22.635 1.00 58.49 H0 +ATOM 572 HG23 ILE A 54 -35.581 2.746 22.038 1.00 58.49 H0 +ATOM 573 HD11 ILE A 54 -38.872 4.762 20.204 1.00 59.86 H0 +ATOM 574 HD12 ILE A 54 -37.870 5.993 20.199 1.00 59.86 H0 +ATOM 575 HD13 ILE A 54 -38.065 5.134 21.521 1.00 59.86 H0 +ATOM 576 N VAL A 55 -35.485 -0.240 20.624 1.00 59.10 N0 +ATOM 577 CA VAL A 55 -35.479 -1.565 21.293 1.00 62.81 C0 +ATOM 578 C VAL A 55 -34.786 -1.419 22.652 1.00 61.40 C0 +ATOM 579 O VAL A 55 -33.638 -0.888 22.734 1.00 56.50 O0 +ATOM 580 CB VAL A 55 -34.866 -2.643 20.388 1.00 62.97 C0 +ATOM 581 CG1 VAL A 55 -34.853 -3.980 21.094 1.00 68.05 C0 +ATOM 582 CG2 VAL A 55 -35.626 -2.764 19.069 1.00 58.91 C0 +ATOM 583 H VAL A 55 -34.612 0.253 20.500 1.00 59.10 H0 +ATOM 584 HA VAL A 55 -36.402 -1.839 21.441 1.00 62.81 H0 +ATOM 585 HB VAL A 55 -33.942 -2.359 20.178 1.00 62.97 H0 +ATOM 586 HG11 VAL A 55 -34.325 -3.912 21.908 1.00 68.05 H0 +ATOM 587 HG12 VAL A 55 -34.463 -4.653 20.509 1.00 68.05 H0 +ATOM 588 HG13 VAL A 55 -35.764 -4.237 21.320 1.00 68.05 H0 +ATOM 589 HG21 VAL A 55 -36.552 -3.002 19.248 1.00 58.91 H0 +ATOM 590 HG22 VAL A 55 -35.214 -3.453 18.519 1.00 58.91 H0 +ATOM 591 HG23 VAL A 55 -35.596 -1.913 18.598 1.00 58.91 H0 +ATOM 592 N TYR A 56 -35.489 -1.830 23.701 1.00 58.41 N0 +ATOM 593 CA TYR A 56 -34.866 -2.085 25.020 1.00 65.82 C0 +ATOM 594 C TYR A 56 -34.911 -3.592 25.299 1.00 55.79 C0 +ATOM 595 O TYR A 56 -35.928 -4.245 25.019 1.00 53.71 O0 +ATOM 596 CB TYR A 56 -35.571 -1.286 26.119 1.00 70.94 C0 +ATOM 597 CG TYR A 56 -35.614 0.222 25.959 1.00 73.94 C0 +ATOM 598 CD1 TYR A 56 -34.469 0.990 26.001 1.00 75.70 C0 +ATOM 599 CD2 TYR A 56 -36.816 0.895 25.818 1.00 75.83 C0 +ATOM 600 CE1 TYR A 56 -34.514 2.371 25.908 1.00 76.79 C0 +ATOM 601 CE2 TYR A 56 -36.881 2.277 25.714 1.00 76.01 C0 +ATOM 602 CZ TYR A 56 -35.725 3.019 25.770 1.00 72.42 C0 +ATOM 603 OH TYR A 56 -35.773 4.373 25.671 1.00 80.34 O0 +ATOM 604 H TYR A 56 -36.483 -1.972 23.590 1.00 58.41 H0 +ATOM 605 HA TYR A 56 -33.919 -1.794 24.984 1.00 65.82 H0 +ATOM 606 HB2 TYR A 56 -36.496 -1.603 26.188 1.00 70.94 H0 +ATOM 607 HB3 TYR A 56 -35.132 -1.481 26.973 1.00 70.94 H0 +ATOM 608 HD1 TYR A 56 -33.635 0.569 26.133 1.00 75.70 H0 +ATOM 609 HD2 TYR A 56 -37.614 0.394 25.792 1.00 75.83 H0 +ATOM 610 HE1 TYR A 56 -33.717 2.874 25.939 1.00 76.79 H0 +ATOM 611 HE2 TYR A 56 -37.714 2.708 25.620 1.00 76.01 H0 +ATOM 612 HH TYR A 56 -34.980 4.699 25.708 0.00 80.34 H0 +ATOM 613 N TRP A 57 -33.841 -4.121 25.881 1.00 64.14 N0 +ATOM 614 CA TRP A 57 -33.851 -5.412 26.620 1.00 59.84 C0 +ATOM 615 C TRP A 57 -33.436 -5.184 28.063 1.00 56.41 C0 +ATOM 616 O TRP A 57 -32.380 -4.579 28.283 1.00 57.79 O0 +ATOM 617 CB TRP A 57 -32.907 -6.421 25.992 1.00 59.89 C0 +ATOM 618 CG TRP A 57 -33.440 -7.077 24.766 1.00 54.24 C0 +ATOM 619 CD1 TRP A 57 -33.179 -6.728 23.480 1.00 54.43 C0 +ATOM 620 CD2 TRP A 57 -34.254 -8.250 24.709 1.00 56.26 C0 +ATOM 621 NE1 TRP A 57 -33.781 -7.602 22.618 1.00 60.73 N0 +ATOM 622 CE2 TRP A 57 -34.462 -8.538 23.346 1.00 57.27 C0 +ATOM 623 CE3 TRP A 57 -34.831 -9.077 25.670 1.00 57.20 C0 +ATOM 624 CZ2 TRP A 57 -35.227 -9.617 22.926 1.00 55.87 C0 +ATOM 625 CZ3 TRP A 57 -35.642 -10.110 25.253 1.00 52.21 C0 +ATOM 626 CH2 TRP A 57 -35.794 -10.403 23.904 1.00 60.80 C0 +ATOM 627 H TRP A 57 -32.977 -3.602 25.808 1.00 64.14 H0 +ATOM 628 HA TRP A 57 -34.772 -5.765 26.606 1.00 59.84 H0 +ATOM 629 HB2 TRP A 57 -32.072 -5.962 25.767 1.00 59.89 H0 +ATOM 630 HB3 TRP A 57 -32.708 -7.111 26.658 1.00 59.89 H0 +ATOM 631 HD1 TRP A 57 -32.619 -6.016 23.212 1.00 54.43 H0 +ATOM 632 HE1 TRP A 57 -33.740 -7.560 21.743 1.00 60.73 H0 +ATOM 633 HE3 TRP A 57 -34.705 -8.903 26.589 1.00 57.20 H0 +ATOM 634 HZ2 TRP A 57 -35.352 -9.803 22.011 1.00 55.87 H0 +ATOM 635 HZ3 TRP A 57 -36.039 -10.677 25.895 1.00 52.21 H0 +ATOM 636 HH2 TRP A 57 -36.354 -11.114 23.648 1.00 60.80 H0 +ATOM 637 N GLU A 58 -34.231 -5.712 28.987 1.00 57.91 N0 +ATOM 638 CA GLU A 58 -33.964 -5.668 30.444 1.00 68.27 C0 +ATOM 639 C GLU A 58 -34.161 -7.066 31.051 1.00 61.13 C0 +ATOM 640 O GLU A 58 -35.074 -7.835 30.625 1.00 55.85 O0 +ATOM 641 CB GLU A 58 -34.878 -4.641 31.126 1.00 75.50 C0 +ATOM 642 CG GLU A 58 -34.915 -3.300 30.412 1.00 94.12 C0 +ATOM 643 CD GLU A 58 -35.040 -2.090 31.315 1.00102.48 C0 +ATOM 644 OE1 GLU A 58 -34.173 -1.170 31.227 1.00102.93 O0 +ATOM 645 OE2 GLU A 58 -35.992 -2.078 32.108 1.00115.04 O0 +ATOM 646 H GLU A 58 -35.068 -6.169 28.653 1.00 57.91 H0 +ATOM 647 HA GLU A 58 -33.028 -5.395 30.582 1.00 68.27 H0 +ATOM 648 HB2 GLU A 58 -35.786 -5.007 31.162 1.00 75.50 H0 +ATOM 649 HB3 GLU A 58 -34.563 -4.504 32.044 1.00 75.50 H0 +ATOM 650 HG2 GLU A 58 -34.096 -3.200 29.881 1.00 94.12 H0 +ATOM 651 HG3 GLU A 58 -35.671 -3.293 29.787 1.00 94.12 H0 +ATOM 652 N MET A 59 -33.337 -7.375 32.044 1.00 65.77 N0 +ATOM 653 CA MET A 59 -33.602 -8.492 32.975 1.00 71.56 C0 +ATOM 654 C MET A 59 -33.766 -7.900 34.376 1.00 64.67 C0 +ATOM 655 O MET A 59 -32.754 -7.399 34.936 1.00 59.72 O0 +ATOM 656 CB MET A 59 -32.483 -9.535 32.990 1.00 63.38 C0 +ATOM 657 CG MET A 59 -32.918 -10.768 33.755 1.00 78.34 C0 +ATOM 658 SD MET A 59 -31.716 -11.303 34.967 1.00 87.39 S0 +ATOM 659 CE MET A 59 -31.605 -9.867 36.026 1.00101.18 C0 +ATOM 660 H MET A 59 -32.500 -6.823 32.163 1.00 65.77 H0 +ATOM 661 HA MET A 59 -34.440 -8.933 32.703 1.00 71.56 H0 +ATOM 662 HB2 MET A 59 -32.258 -9.766 32.067 1.00 63.38 H0 +ATOM 663 HB3 MET A 59 -31.690 -9.138 33.403 1.00 63.38 H0 +ATOM 664 HG2 MET A 59 -33.764 -10.580 34.215 1.00 78.34 H0 +ATOM 665 HG3 MET A 59 -33.072 -11.502 33.123 1.00 78.34 H0 +ATOM 666 HE1 MET A 59 -30.976 -10.038 36.731 1.00101.18 H0 +ATOM 667 HE2 MET A 59 -31.312 -9.112 35.511 1.00101.18 H0 +ATOM 668 HE3 MET A 59 -32.472 -9.681 36.406 1.00101.18 H0 +ATOM 669 N GLU A 60 -34.987 -7.971 34.898 1.00 69.44 N0 +ATOM 670 CA GLU A 60 -35.365 -7.421 36.226 1.00 87.23 C0 +ATOM 671 C GLU A 60 -34.996 -5.927 36.190 1.00 83.69 C0 +ATOM 672 O GLU A 60 -35.566 -5.224 35.319 1.00 84.38 O0 +ATOM 673 CB GLU A 60 -34.827 -8.362 37.322 1.00 89.69 C0 +ATOM 674 CG GLU A 60 -35.789 -9.542 37.585 1.00 97.64 C0 +ATOM 675 CD GLU A 60 -35.241 -10.926 37.954 1.00101.09 C0 +ATOM 676 OE1 GLU A 60 -34.301 -10.990 38.776 1.00 89.32 O0 +ATOM 677 OE2 GLU A 60 -35.779 -11.962 37.431 1.00 79.57 O0 +ATOM 678 H GLU A 60 -35.689 -8.433 34.339 1.00 69.44 H0 +ATOM 679 HA GLU A 60 -36.337 -7.530 36.344 1.00 87.23 H0 +ATOM 680 HB2 GLU A 60 -33.953 -8.703 37.038 1.00 89.69 H0 +ATOM 681 HB3 GLU A 60 -34.705 -7.844 38.145 1.00 89.69 H0 +ATOM 682 HG2 GLU A 60 -36.395 -9.301 38.318 1.00 97.64 H0 +ATOM 683 HG3 GLU A 60 -36.339 -9.687 36.786 1.00 97.64 H0 +ATOM 684 N ASP A 61 -34.066 -5.434 37.008 1.00 80.48 N0 +ATOM 685 CA ASP A 61 -33.783 -3.973 37.001 1.00 91.70 C0 +ATOM 686 C ASP A 61 -32.552 -3.681 36.132 1.00 86.43 C0 +ATOM 687 O ASP A 61 -32.168 -2.521 36.042 1.00 80.85 O0 +ATOM 688 CB ASP A 61 -33.724 -3.405 38.424 1.00103.96 C0 +ATOM 689 CG ASP A 61 -32.697 -4.037 39.343 1.00114.95 C0 +ATOM 690 OD1 ASP A 61 -31.692 -4.575 38.825 1.00125.40 O0 +ATOM 691 OD2 ASP A 61 -32.919 -3.984 40.577 1.00122.28 O0 +ATOM 692 H ASP A 61 -33.548 -6.033 37.635 1.00 80.48 H0 +ATOM 693 HA ASP A 61 -34.559 -3.506 36.610 1.00 91.70 H0 +ATOM 694 HB2 ASP A 61 -33.503 -2.453 38.369 1.00103.96 H0 +ATOM 695 HB3 ASP A 61 -34.597 -3.536 38.847 1.00103.96 H0 +ATOM 696 N LYS A 62 -31.949 -4.676 35.486 1.00 85.75 N0 +ATOM 697 CA LYS A 62 -30.684 -4.457 34.732 1.00 88.75 C0 +ATOM 698 C LYS A 62 -31.024 -4.087 33.280 1.00 75.34 C0 +ATOM 699 O LYS A 62 -31.950 -4.701 32.705 1.00 74.72 O0 +ATOM 700 CB LYS A 62 -29.774 -5.683 34.881 1.00 95.14 C0 +ATOM 701 CG LYS A 62 -29.390 -6.011 36.320 1.00 97.79 C0 +ATOM 702 CD LYS A 62 -28.236 -6.990 36.454 1.00102.60 C0 +ATOM 703 CE LYS A 62 -28.683 -8.436 36.480 1.00102.50 C0 +ATOM 704 NZ LYS A 62 -27.546 -9.388 36.420 1.00106.10 N0 +ATOM 705 H LYS A 62 -32.356 -5.600 35.506 1.00 85.75 H0 +ATOM 706 HA LYS A 62 -30.198 -3.707 35.147 1.00 88.75 H0 +ATOM 707 HB2 LYS A 62 -30.226 -6.457 34.485 1.00 95.14 H0 +ATOM 708 HB3 LYS A 62 -28.959 -5.532 34.357 1.00 95.14 H0 +ATOM 709 HG2 LYS A 62 -29.141 -5.178 36.775 1.00 97.79 H0 +ATOM 710 HG3 LYS A 62 -30.171 -6.393 36.773 1.00 97.79 H0 +ATOM 711 HD2 LYS A 62 -27.619 -6.862 35.702 1.00102.60 H0 +ATOM 712 HD3 LYS A 62 -27.745 -6.795 37.281 1.00102.60 H0 +ATOM 713 HE2 LYS A 62 -29.187 -8.608 37.298 1.00102.50 H0 +ATOM 714 HE3 LYS A 62 -29.272 -8.610 35.722 1.00102.50 H0 +ATOM 715 HZ1 LYS A 62 -27.076 -9.257 35.655 1.00106.10 H0 +ATOM 716 HZ2 LYS A 62 -27.857 -10.240 36.440 1.00106.10 H0 +ATOM 717 HZ3 LYS A 62 -26.998 -9.256 37.130 1.00106.10 H0 +ATOM 718 N ASN A 63 -30.358 -3.069 32.732 1.00 72.69 N0 +ATOM 719 CA ASN A 63 -30.485 -2.721 31.297 1.00 69.41 C0 +ATOM 720 C ASN A 63 -29.439 -3.533 30.537 1.00 71.15 C0 +ATOM 721 O ASN A 63 -28.275 -3.542 30.971 1.00 73.49 O0 +ATOM 722 CB ASN A 63 -30.304 -1.241 30.972 1.00 73.84 C0 +ATOM 723 CG ASN A 63 -30.283 -1.020 29.466 1.00 83.76 C0 +ATOM 724 OD1 ASN A 63 -29.223 -0.811 28.861 1.00 85.31 O0 +ATOM 725 ND2 ASN A 63 -31.439 -1.157 28.831 1.00 79.89 N0 +ATOM 726 H ASN A 63 -29.747 -2.520 33.320 1.00 72.69 H0 +ATOM 727 HA ASN A 63 -31.388 -2.974 30.993 1.00 69.41 H0 +ATOM 728 HB2 ASN A 63 -31.037 -0.735 31.379 1.00 73.84 H0 +ATOM 729 HB3 ASN A 63 -29.467 -0.928 31.372 1.00 73.84 H0 +ATOM 730 HD21 ASN A 63 -31.480 -1.039 27.956 1.00 79.89 H0 +ATOM 731 HD22 ASN A 63 -32.169 -1.366 29.282 1.00 79.89 H0 +ATOM 732 N ILE A 64 -29.840 -4.163 29.436 1.00 62.05 N0 +ATOM 733 CA ILE A 64 -28.948 -5.036 28.634 1.00 65.41 C0 +ATOM 734 C ILE A 64 -28.655 -4.324 27.316 1.00 64.14 C0 +ATOM 735 O ILE A 64 -27.483 -4.147 26.966 1.00 65.41 O0 +ATOM 736 CB ILE A 64 -29.618 -6.405 28.433 1.00 65.69 C0 +ATOM 737 CG1 ILE A 64 -29.971 -7.050 29.779 1.00 61.35 C0 +ATOM 738 CG2 ILE A 64 -28.743 -7.300 27.568 1.00 68.54 C0 +ATOM 739 CD1 ILE A 64 -30.835 -8.294 29.681 1.00 61.69 C0 +ATOM 740 H ILE A 64 -30.798 -4.034 29.142 1.00 62.05 H0 +ATOM 741 HA ILE A 64 -28.113 -5.154 29.122 1.00 65.41 H0 +ATOM 742 HB ILE A 64 -30.466 -6.251 27.948 1.00 65.69 H0 +ATOM 743 HG12 ILE A 64 -29.139 -7.288 30.241 1.00 61.35 H0 +ATOM 744 HG13 ILE A 64 -30.443 -6.390 30.330 1.00 61.35 H0 +ATOM 745 HG21 ILE A 64 -28.610 -6.885 26.698 1.00 68.54 H0 +ATOM 746 HG22 ILE A 64 -29.177 -8.162 27.445 1.00 68.54 H0 +ATOM 747 HG23 ILE A 64 -27.881 -7.431 27.999 1.00 68.54 H0 +ATOM 748 HD11 ILE A 64 -31.677 -8.072 29.248 1.00 61.69 H0 +ATOM 749 HD12 ILE A 64 -31.012 -8.639 30.573 1.00 61.69 H0 +ATOM 750 HD13 ILE A 64 -30.372 -8.972 29.159 1.00 61.69 H0 +ATOM 751 N ILE A 65 -29.708 -3.957 26.604 1.00 67.09 N0 +ATOM 752 CA ILE A 65 -29.610 -3.304 25.273 1.00 70.14 C0 +ATOM 753 C ILE A 65 -30.538 -2.100 25.265 1.00 66.61 C0 +ATOM 754 O ILE A 65 -31.705 -2.261 25.634 1.00 63.60 O0 +ATOM 755 CB ILE A 65 -29.988 -4.292 24.159 1.00 71.63 C0 +ATOM 756 CG1 ILE A 65 -28.977 -5.435 24.053 1.00 72.76 C0 +ATOM 757 CG2 ILE A 65 -30.163 -3.556 22.842 1.00 76.91 C0 +ATOM 758 CD1 ILE A 65 -27.555 -4.993 23.806 1.00 68.49 C0 +ATOM 759 H ILE A 65 -30.620 -4.136 26.999 1.00 67.09 H0 +ATOM 760 HA ILE A 65 -28.694 -2.995 25.149 1.00 70.14 H0 +ATOM 761 HB ILE A 65 -30.859 -4.692 24.401 1.00 71.63 H0 +ATOM 762 HG12 ILE A 65 -29.000 -5.954 24.885 1.00 72.76 H0 +ATOM 763 HG13 ILE A 65 -29.249 -6.028 23.321 1.00 72.76 H0 +ATOM 764 HG21 ILE A 65 -30.870 -2.894 22.929 1.00 76.91 H0 +ATOM 765 HG22 ILE A 65 -30.405 -4.188 22.143 1.00 76.91 H0 +ATOM 766 HG23 ILE A 65 -29.331 -3.111 22.602 1.00 76.91 H0 +ATOM 767 HD11 ILE A 65 -27.508 -4.497 22.970 1.00 68.49 H0 +ATOM 768 HD12 ILE A 65 -26.976 -5.773 23.751 1.00 68.49 H0 +ATOM 769 HD13 ILE A 65 -27.259 -4.422 24.537 1.00 68.49 H0 +ATOM 770 N GLN A 66 -30.018 -0.959 24.839 1.00 76.89 N0 +ATOM 771 CA GLN A 66 -30.787 0.290 24.641 1.00 76.96 C0 +ATOM 772 C GLN A 66 -30.442 0.773 23.232 1.00 78.97 C0 +ATOM 773 O GLN A 66 -29.351 1.345 23.057 1.00 73.26 O0 +ATOM 774 CB GLN A 66 -30.438 1.262 25.768 1.00 86.21 C0 +ATOM 775 CG GLN A 66 -30.895 2.692 25.527 1.00 99.84 C0 +ATOM 776 CD GLN A 66 -30.983 3.471 26.815 1.00 98.88 C0 +ATOM 777 OE1 GLN A 66 -31.280 2.911 27.869 1.00105.91 O0 +ATOM 778 NE2 GLN A 66 -30.722 4.767 26.742 1.00 90.50 N0 +ATOM 779 H GLN A 66 -29.027 -0.964 24.642 1.00 76.89 H0 +ATOM 780 HA GLN A 66 -31.747 0.079 24.707 1.00 76.96 H0 +ATOM 781 HB2 GLN A 66 -30.846 0.937 26.597 1.00 86.21 H0 +ATOM 782 HB3 GLN A 66 -29.466 1.259 25.892 1.00 86.21 H0 +ATOM 783 HG2 GLN A 66 -30.263 3.135 24.921 1.00 99.84 H0 +ATOM 784 HG3 GLN A 66 -31.774 2.681 25.092 1.00 99.84 H0 +ATOM 785 HE21 GLN A 66 -30.760 5.268 27.470 1.00 90.50 H0 +ATOM 786 HE22 GLN A 66 -30.509 5.132 25.966 1.00 90.50 H0 +ATOM 787 N PHE A 67 -31.288 0.451 22.251 1.00 69.41 N0 +ATOM 788 CA PHE A 67 -31.044 0.772 20.826 1.00 68.18 C0 +ATOM 789 C PHE A 67 -31.989 1.906 20.437 1.00 67.25 C0 +ATOM 790 O PHE A 67 -33.202 1.653 20.436 1.00 62.87 O0 +ATOM 791 CB PHE A 67 -31.250 -0.470 19.958 1.00 69.54 C0 +ATOM 792 CG PHE A 67 -30.763 -0.340 18.540 1.00 72.58 C0 +ATOM 793 CD1 PHE A 67 -29.409 -0.432 18.240 1.00 80.35 C0 +ATOM 794 CD2 PHE A 67 -31.656 -0.113 17.505 1.00 72.17 C0 +ATOM 795 CE1 PHE A 67 -28.964 -0.304 16.933 1.00 82.01 C0 +ATOM 796 CE2 PHE A 67 -31.208 0.002 16.195 1.00 70.47 C0 +ATOM 797 CZ PHE A 67 -29.866 -0.097 15.911 1.00 71.27 C0 +ATOM 798 H PHE A 67 -32.134 -0.037 22.508 1.00 69.41 H0 +ATOM 799 HA PHE A 67 -30.107 1.079 20.727 1.00 68.18 H0 +ATOM 800 HB2 PHE A 67 -30.789 -1.224 20.382 1.00 69.54 H0 +ATOM 801 HB3 PHE A 67 -32.206 -0.684 19.945 1.00 69.54 H0 +ATOM 802 HD1 PHE A 67 -28.786 -0.578 18.934 1.00 80.35 H0 +ATOM 803 HD2 PHE A 67 -32.578 -0.036 17.694 1.00 72.17 H0 +ATOM 804 HE1 PHE A 67 -28.041 -0.369 16.743 1.00 82.01 H0 +ATOM 805 HE2 PHE A 67 -31.827 0.144 15.497 1.00 70.47 H0 +ATOM 806 HZ PHE A 67 -29.560 -0.010 15.022 1.00 71.27 H0 +ATOM 807 N VAL A 68 -31.430 3.084 20.129 1.00 70.71 N0 +ATOM 808 CA VAL A 68 -32.158 4.349 19.792 1.00 72.99 C0 +ATOM 809 C VAL A 68 -31.397 5.130 18.699 1.00 67.80 C0 +ATOM 810 O VAL A 68 -30.163 5.300 18.822 1.00 63.65 O0 +ATOM 811 CB VAL A 68 -32.303 5.213 21.058 1.00 71.70 C0 +ATOM 812 CG1 VAL A 68 -32.880 6.582 20.738 1.00 77.61 C0 +ATOM 813 CG2 VAL A 68 -33.135 4.520 22.125 1.00 74.09 C0 +ATOM 814 H VAL A 68 -30.420 3.083 20.134 1.00 70.71 H0 +ATOM 815 HA VAL A 68 -33.033 4.114 19.436 1.00 72.99 H0 +ATOM 816 HB VAL A 68 -31.395 5.346 21.427 1.00 71.70 H0 +ATOM 817 HG11 VAL A 68 -32.292 7.045 20.116 1.00 77.61 H0 +ATOM 818 HG12 VAL A 68 -32.959 7.101 21.557 1.00 77.61 H0 +ATOM 819 HG13 VAL A 68 -33.760 6.478 20.335 1.00 77.61 H0 +ATOM 820 HG21 VAL A 68 -34.025 4.339 21.776 1.00 74.09 H0 +ATOM 821 HG22 VAL A 68 -33.204 5.094 22.907 1.00 74.09 H0 +ATOM 822 HG23 VAL A 68 -32.709 3.682 22.376 1.00 74.09 H0 +ATOM 823 N HIS A 69 -32.102 5.669 17.704 1.00 67.44 N0 +ATOM 824 CA HIS A 69 -31.464 6.418 16.591 1.00 74.71 C0 +ATOM 825 C HIS A 69 -30.384 5.536 15.956 1.00 82.84 C0 +ATOM 826 O HIS A 69 -29.251 6.032 15.799 1.00 73.28 O0 +ATOM 827 CB HIS A 69 -30.869 7.738 17.116 1.00 74.60 C0 +ATOM 828 CG HIS A 69 -31.873 8.598 17.805 1.00 70.16 C0 +ATOM 829 ND1 HIS A 69 -31.515 9.541 18.743 1.00 66.95 N0 +ATOM 830 CD2 HIS A 69 -33.227 8.631 17.704 1.00 61.07 C0 +ATOM 831 CE1 HIS A 69 -32.605 10.133 19.185 1.00 68.21 C0 +ATOM 832 NE2 HIS A 69 -33.674 9.573 18.575 1.00 59.56 N0 +ATOM 833 H HIS A 69 -33.106 5.561 17.713 1.00 67.44 H0 +ATOM 834 HA HIS A 69 -32.155 6.607 15.914 1.00 74.71 H0 +ATOM 835 HB2 HIS A 69 -30.140 7.529 17.742 1.00 74.60 H0 +ATOM 836 HB3 HIS A 69 -30.485 8.235 16.359 1.00 74.60 H0 +ATOM 837 HD1 HIS A 69 -30.696 9.710 19.005 0.00 66.95 H0 +ATOM 838 HD2 HIS A 69 -33.760 8.103 17.139 1.00 61.07 H0 +ATOM 839 HE1 HIS A 69 -32.636 10.816 19.832 1.00 68.21 H0 +ATOM 840 HE2 HIS A 69 -34.511 9.800 18.706 0.00 59.56 H0 +ATOM 841 N GLY A 70 -30.715 4.258 15.712 1.00 96.55 N0 +ATOM 842 CA GLY A 70 -29.891 3.259 14.994 1.00 95.25 C0 +ATOM 843 C GLY A 70 -28.553 2.929 15.650 1.00 86.98 C0 +ATOM 844 O GLY A 70 -27.634 2.530 14.929 1.00 97.19 O0 +ATOM 845 H GLY A 70 -31.621 3.986 16.067 1.00 96.55 H0 +ATOM 846 HA2 GLY A 70 -30.402 2.415 14.915 1.00 95.25 H0 +ATOM 847 HA3 GLY A 70 -29.703 3.591 14.081 1.00 95.25 H0 +ATOM 848 N GLU A 71 -28.436 3.044 16.968 1.00 88.93 N0 +ATOM 849 CA GLU A 71 -27.153 2.860 17.689 1.00 93.76 C0 +ATOM 850 C GLU A 71 -27.478 2.362 19.098 1.00 98.50 C0 +ATOM 851 O GLU A 71 -28.630 2.511 19.511 1.00 98.58 O0 +ATOM 852 CB GLU A 71 -26.363 4.173 17.705 1.00 97.26 C0 +ATOM 853 CG GLU A 71 -24.858 3.979 17.599 1.00115.47 C0 +ATOM 854 CD GLU A 71 -24.030 5.202 17.216 1.00123.19 C0 +ATOM 855 OE1 GLU A 71 -24.422 6.346 17.576 1.00104.23 O0 +ATOM 856 OE2 GLU A 71 -22.978 5.005 16.554 1.00119.39 O0 +ATOM 857 H GLU A 71 -29.269 3.268 17.494 1.00 88.93 H0 +ATOM 858 HA GLU A 71 -26.622 2.180 17.213 1.00 93.76 H0 +ATOM 859 HB2 GLU A 71 -26.664 4.727 16.955 1.00 97.26 H0 +ATOM 860 HB3 GLU A 71 -26.563 4.647 18.539 1.00 97.26 H0 +ATOM 861 HG2 GLU A 71 -24.518 3.656 18.461 1.00115.47 H0 +ATOM 862 HG3 GLU A 71 -24.673 3.283 16.932 1.00115.47 H0 +ATOM 863 N GLU A 72 -26.499 1.773 19.783 1.00103.69 N0 +ATOM 864 CA GLU A 72 -26.611 1.315 21.190 1.00 96.71 C0 +ATOM 865 C GLU A 72 -25.999 2.381 22.102 1.00 98.76 C0 +ATOM 866 O GLU A 72 -24.953 2.936 21.729 1.00 87.90 O0 +ATOM 867 CB GLU A 72 -25.864 0.001 21.414 1.00 92.35 C0 +ATOM 868 CG GLU A 72 -26.573 -1.240 20.906 1.00 99.88 C0 +ATOM 869 CD GLU A 72 -25.971 -2.537 21.436 1.00110.11 C0 +ATOM 870 OE1 GLU A 72 -25.765 -3.481 20.624 1.00109.27 O0 +ATOM 871 OE2 GLU A 72 -25.702 -2.605 22.667 1.00114.54 O0 +ATOM 872 H GLU A 72 -25.628 1.639 19.289 1.00103.69 H0 +ATOM 873 HA GLU A 72 -27.566 1.212 21.410 1.00 96.71 H0 +ATOM 874 HB2 GLU A 72 -24.994 0.057 20.966 1.00 92.35 H0 +ATOM 875 HB3 GLU A 72 -25.711 -0.111 22.375 1.00 92.35 H0 +ATOM 876 HG2 GLU A 72 -27.518 -1.195 21.165 1.00 99.88 H0 +ATOM 877 HG3 GLU A 72 -26.539 -1.247 19.926 1.00 99.88 H0 +ATOM 878 N ASP A 73 -26.624 2.629 23.256 1.00 99.20 N0 +ATOM 879 CA ASP A 73 -26.024 3.391 24.380 1.00105.79 C0 +ATOM 880 C ASP A 73 -25.415 2.371 25.348 1.00101.67 C0 +ATOM 881 O ASP A 73 -26.173 1.746 26.117 1.00107.12 O0 +ATOM 882 CB ASP A 73 -27.050 4.321 25.039 1.00109.28 C0 +ATOM 883 CG ASP A 73 -26.420 5.494 25.776 1.00122.17 C0 +ATOM 884 OD1 ASP A 73 -25.309 5.318 26.324 1.00117.21 O0 +ATOM 885 OD2 ASP A 73 -27.034 6.585 25.781 1.00131.44 O0 +ATOM 886 H ASP A 73 -27.562 2.268 23.351 1.00 99.20 H0 +ATOM 887 HA ASP A 73 -25.314 3.973 24.020 1.00105.79 H0 +ATOM 888 HB2 ASP A 73 -27.633 4.684 24.341 1.00109.28 H0 +ATOM 889 HB3 ASP A 73 -27.567 3.802 25.689 1.00109.28 H0 +ATOM 890 N LEU A 74 -24.094 2.192 25.291 1.00 99.79 N0 +ATOM 891 CA LEU A 74 -23.364 1.240 26.168 1.00101.36 C0 +ATOM 892 C LEU A 74 -23.279 1.808 27.585 1.00 99.70 C0 +ATOM 893 O LEU A 74 -23.261 1.012 28.534 1.00108.76 O0 +ATOM 894 CB LEU A 74 -21.968 0.956 25.601 1.00103.24 C0 +ATOM 895 CG LEU A 74 -21.881 -0.154 24.544 1.00114.10 C0 +ATOM 896 CD1 LEU A 74 -22.883 -1.288 24.795 1.00108.64 C0 +ATOM 897 CD2 LEU A 74 -22.057 0.412 23.144 1.00107.70 C0 +ATOM 898 H LEU A 74 -23.576 2.735 24.615 1.00 99.79 H0 +ATOM 899 HA LEU A 74 -23.867 0.394 26.198 1.00101.36 H0 +ATOM 900 HB2 LEU A 74 -21.623 1.781 25.205 1.00103.24 H0 +ATOM 901 HB3 LEU A 74 -21.377 0.717 26.343 1.00103.24 H0 +ATOM 902 HG LEU A 74 -20.981 -0.559 24.599 1.00114.10 H0 +ATOM 903 HD11 LEU A 74 -22.709 -1.689 25.664 1.00108.64 H0 +ATOM 904 HD12 LEU A 74 -22.789 -1.963 24.101 1.00108.64 H0 +ATOM 905 HD13 LEU A 74 -23.788 -0.931 24.779 1.00108.64 H0 +ATOM 906 HD21 LEU A 74 -22.927 0.842 23.075 1.00107.70 H0 +ATOM 907 HD22 LEU A 74 -21.997 -0.308 22.493 1.00107.70 H0 +ATOM 908 HD23 LEU A 74 -21.358 1.066 22.968 1.00107.70 H0 +ATOM 909 N LYS A 75 -23.273 3.132 27.725 1.00111.96 N0 +ATOM 910 CA LYS A 75 -23.064 3.824 29.025 1.00117.33 C0 +ATOM 911 C LYS A 75 -24.142 3.408 30.040 1.00111.02 C0 +ATOM 912 O LYS A 75 -23.884 3.586 31.239 1.00110.29 O0 +ATOM 913 CB LYS A 75 -23.005 5.340 28.806 1.00124.68 C0 +ATOM 914 CG LYS A 75 -21.863 5.791 27.900 1.00130.01 C0 +ATOM 915 CD LYS A 75 -21.351 7.199 28.158 1.00132.13 C0 +ATOM 916 CE LYS A 75 -22.052 8.265 27.337 1.00133.76 C0 +ATOM 917 NZ LYS A 75 -21.239 9.501 27.224 1.00124.29 N0 +ATOM 918 H LYS A 75 -23.420 3.683 26.892 1.00111.96 H0 +ATOM 919 HA LYS A 75 -22.186 3.557 29.383 1.00117.33 H0 +ATOM 920 HB2 LYS A 75 -23.858 5.633 28.424 1.00124.68 H0 +ATOM 921 HB3 LYS A 75 -22.920 5.778 29.678 1.00124.68 H0 +ATOM 922 HG2 LYS A 75 -21.111 5.172 28.013 1.00130.01 H0 +ATOM 923 HG3 LYS A 75 -22.167 5.747 26.968 1.00130.01 H0 +ATOM 924 HD2 LYS A 75 -21.466 7.412 29.109 1.00132.13 H0 +ATOM 925 HD3 LYS A 75 -20.391 7.232 27.957 1.00132.13 H0 +ATOM 926 HE2 LYS A 75 -22.232 7.922 26.441 1.00133.76 H0 +ATOM 927 HE3 LYS A 75 -22.908 8.486 27.751 1.00133.76 H0 +ATOM 928 HZ1 LYS A 75 -21.078 9.839 28.050 1.00124.29 H0 +ATOM 929 HZ2 LYS A 75 -21.683 10.116 26.727 1.00124.29 H0 +ATOM 930 HZ3 LYS A 75 -20.448 9.312 26.823 1.00124.29 H0 +ATOM 931 N VAL A 76 -25.268 2.832 29.595 1.00105.53 N0 +ATOM 932 CA VAL A 76 -26.468 2.528 30.437 1.00 98.16 C0 +ATOM 933 C VAL A 76 -26.573 1.017 30.730 1.00 96.78 C0 +ATOM 934 O VAL A 76 -27.347 0.632 31.638 1.00 82.06 O0 +ATOM 935 CB VAL A 76 -27.736 3.060 29.744 1.00108.47 C0 +ATOM 936 CG1 VAL A 76 -28.944 3.026 30.665 1.00112.19 C0 +ATOM 937 CG2 VAL A 76 -27.526 4.468 29.199 1.00112.76 C0 +ATOM 938 H VAL A 76 -25.282 2.595 28.613 1.00105.53 H0 +ATOM 939 HA VAL A 76 -26.368 2.985 31.291 1.00 98.16 H0 +ATOM 940 HB VAL A 76 -27.922 2.465 28.976 1.00108.47 H0 +ATOM 941 HG11 VAL A 76 -29.113 2.110 30.946 1.00112.19 H0 +ATOM 942 HG12 VAL A 76 -29.722 3.369 30.193 1.00112.19 H0 +ATOM 943 HG13 VAL A 76 -28.771 3.578 31.448 1.00112.19 H0 +ATOM 944 HG21 VAL A 76 -27.299 5.069 29.930 1.00112.76 H0 +ATOM 945 HG22 VAL A 76 -28.343 4.775 28.768 1.00112.76 H0 +ATOM 946 HG23 VAL A 76 -26.801 4.460 28.550 1.00112.76 H0 +ATOM 947 N GLN A 77 -25.815 0.185 30.012 1.00 88.70 N0 +ATOM 948 CA GLN A 77 -25.789 -1.297 30.165 1.00 86.86 C0 +ATOM 949 C GLN A 77 -25.192 -1.700 31.517 1.00 85.52 C0 +ATOM 950 O GLN A 77 -24.078 -1.244 31.845 1.00 90.29 O0 +ATOM 951 CB GLN A 77 -24.919 -1.881 29.059 1.00 86.26 C0 +ATOM 952 CG GLN A 77 -24.884 -3.392 28.988 1.00 86.54 C0 +ATOM 953 CD GLN A 77 -24.053 -3.764 27.786 1.00 81.79 C0 +ATOM 954 OE1 GLN A 77 -22.856 -3.494 27.737 1.00 85.79 O0 +ATOM 955 NE2 GLN A 77 -24.694 -4.334 26.782 1.00 76.53 N0 +ATOM 956 H GLN A 77 -25.223 0.619 29.318 1.00 88.70 H0 +ATOM 957 HA GLN A 77 -26.715 -1.631 30.130 1.00 86.86 H0 +ATOM 958 HB2 GLN A 77 -25.241 -1.543 28.197 1.00 86.26 H0 +ATOM 959 HB3 GLN A 77 -24.001 -1.560 29.182 1.00 86.26 H0 +ATOM 960 HG2 GLN A 77 -24.497 -3.745 29.817 1.00 86.54 H0 +ATOM 961 HG3 GLN A 77 -25.801 -3.733 28.913 1.00 86.54 H0 +ATOM 962 HE21 GLN A 77 -24.253 -4.572 26.054 1.00 76.53 H0 +ATOM 963 HE22 GLN A 77 -25.564 -4.478 26.838 1.00 76.53 H0 +ATOM 964 N HIS A 78 -25.868 -2.575 32.258 1.00 85.47 N0 +ATOM 965 CA HIS A 78 -25.314 -3.153 33.507 1.00 80.88 C0 +ATOM 966 C HIS A 78 -23.998 -3.864 33.162 1.00 79.23 C0 +ATOM 967 O HIS A 78 -23.900 -4.488 32.075 1.00 75.51 O0 +ATOM 968 CB HIS A 78 -26.349 -4.039 34.198 1.00 80.01 C0 +ATOM 969 CG HIS A 78 -25.982 -4.329 35.608 1.00 90.15 C0 +ATOM 970 ND1 HIS A 78 -25.164 -5.384 35.949 1.00 98.77 N0 +ATOM 971 CD2 HIS A 78 -26.273 -3.685 36.757 1.00 94.06 C0 +ATOM 972 CE1 HIS A 78 -24.984 -5.393 37.255 1.00 97.32 C0 +ATOM 973 NE2 HIS A 78 -25.651 -4.361 37.775 1.00 96.08 N0 +ATOM 974 H HIS A 78 -26.791 -2.852 31.954 1.00 85.47 H0 +ATOM 975 HA HIS A 78 -25.124 -2.412 34.129 1.00 80.88 H0 +ATOM 976 HB2 HIS A 78 -27.221 -3.587 34.170 1.00 80.01 H0 +ATOM 977 HB3 HIS A 78 -26.428 -4.881 33.697 1.00 80.01 H0 +ATOM 978 HD1 HIS A 78 -24.805 -5.950 35.385 0.00 98.77 H0 +ATOM 979 HD2 HIS A 78 -26.803 -2.915 36.848 1.00 94.06 H0 +ATOM 980 HE1 HIS A 78 -24.464 -6.016 37.734 1.00 97.32 H0 +ATOM 981 HE2 HIS A 78 -25.685 -4.154 38.627 0.00 96.08 H0 +ATOM 982 N SER A 79 -22.990 -3.726 34.020 1.00 84.90 N0 +ATOM 983 CA SER A 79 -21.620 -4.259 33.789 1.00 92.92 C0 +ATOM 984 C SER A 79 -21.656 -5.778 33.547 1.00 89.83 C0 +ATOM 985 O SER A 79 -20.895 -6.248 32.681 1.00 88.04 O0 +ATOM 986 CB SER A 79 -20.662 -3.869 34.909 1.00 93.41 C0 +ATOM 987 OG SER A 79 -21.282 -3.898 36.191 1.00 91.58 O0 +ATOM 988 H SER A 79 -23.186 -3.226 34.875 1.00 84.90 H0 +ATOM 989 HA SER A 79 -21.259 -3.832 32.973 1.00 92.92 H0 +ATOM 990 HB2 SER A 79 -19.895 -4.494 34.916 1.00 93.41 H0 +ATOM 991 HB3 SER A 79 -20.321 -2.955 34.745 1.00 93.41 H0 +ATOM 992 HG SER A 79 -20.714 -3.676 36.767 0.00 91.58 H0 +ATOM 993 N SER A 80 -22.544 -6.512 34.226 1.00 84.68 N0 +ATOM 994 CA SER A 80 -22.604 -7.998 34.174 1.00 88.54 C0 +ATOM 995 C SER A 80 -22.938 -8.468 32.757 1.00 91.11 C0 +ATOM 996 O SER A 80 -22.783 -9.660 32.512 1.00 92.18 O0 +ATOM 997 CB SER A 80 -23.600 -8.541 35.152 1.00 91.75 C0 +ATOM 998 OG SER A 80 -24.892 -8.056 34.841 1.00 95.59 O0 +ATOM 999 H SER A 80 -23.205 -6.012 34.803 1.00 84.68 H0 +ATOM 1000 HA SER A 80 -21.710 -8.349 34.410 1.00 88.54 H0 +ATOM 1001 HB2 SER A 80 -23.592 -9.529 35.112 1.00 91.75 H0 +ATOM 1002 HB3 SER A 80 -23.346 -8.261 36.066 1.00 91.75 H0 +ATOM 1003 HG SER A 80 -25.436 -8.370 35.398 0.00 95.59 H0 +ATOM 1004 N TYR A 81 -23.404 -7.569 31.881 1.00 93.12 N0 +ATOM 1005 CA TYR A 81 -23.790 -7.868 30.477 1.00 82.37 C0 +ATOM 1006 C TYR A 81 -22.786 -7.210 29.530 1.00 86.61 C0 +ATOM 1007 O TYR A 81 -23.065 -7.128 28.326 1.00 84.56 O0 +ATOM 1008 CB TYR A 81 -25.232 -7.430 30.197 1.00 67.93 C0 +ATOM 1009 CG TYR A 81 -26.273 -8.279 30.883 1.00 70.71 C0 +ATOM 1010 CD1 TYR A 81 -26.470 -9.587 30.486 1.00 71.85 C0 +ATOM 1011 CD2 TYR A 81 -27.042 -7.808 31.942 1.00 71.99 C0 +ATOM 1012 CE1 TYR A 81 -27.413 -10.402 31.087 1.00 78.49 C0 +ATOM 1013 CE2 TYR A 81 -27.983 -8.621 32.569 1.00 70.46 C0 +ATOM 1014 CZ TYR A 81 -28.172 -9.923 32.134 1.00 73.25 C0 +ATOM 1015 OH TYR A 81 -29.062 -10.796 32.686 1.00 76.73 O0 +ATOM 1016 H TYR A 81 -23.490 -6.623 32.225 1.00 93.12 H0 +ATOM 1017 HA TYR A 81 -23.756 -8.849 30.342 1.00 82.37 H0 +ATOM 1018 HB2 TYR A 81 -25.334 -6.498 30.483 1.00 67.93 H0 +ATOM 1019 HB3 TYR A 81 -25.381 -7.455 29.229 1.00 67.93 H0 +ATOM 1020 HD1 TYR A 81 -25.948 -9.940 29.784 1.00 71.85 H0 +ATOM 1021 HD2 TYR A 81 -26.926 -6.922 32.243 1.00 71.99 H0 +ATOM 1022 HE1 TYR A 81 -27.526 -11.292 30.795 1.00 78.49 H0 +ATOM 1023 HE2 TYR A 81 -28.497 -8.283 33.284 1.00 70.46 H0 +ATOM 1024 HH TYR A 81 -29.019 -11.553 32.283 0.00 76.73 H0 +ATOM 1025 N ARG A 82 -21.626 -6.795 30.038 1.00 93.51 N0 +ATOM 1026 CA ARG A 82 -20.643 -6.051 29.209 1.00107.88 C0 +ATOM 1027 C ARG A 82 -19.826 -7.050 28.390 1.00102.55 C0 +ATOM 1028 O ARG A 82 -19.250 -7.980 28.984 1.00 93.99 O0 +ATOM 1029 CB ARG A 82 -19.727 -5.164 30.056 1.00119.50 C0 +ATOM 1030 CG ARG A 82 -18.710 -4.374 29.241 1.00128.26 C0 +ATOM 1031 CD ARG A 82 -18.291 -3.061 29.882 1.00135.82 C0 +ATOM 1032 NE ARG A 82 -19.245 -1.993 29.583 1.00154.48 N0 +ATOM 1033 CZ ARG A 82 -20.219 -1.556 30.389 1.00158.15 C0 +ATOM 1034 NH1 ARG A 82 -20.391 -2.073 31.595 1.00149.59 N0 +ATOM 1035 NH2 ARG A 82 -21.021 -0.584 29.983 1.00157.19 N0 +ATOM 1036 H ARG A 82 -21.408 -6.989 31.005 1.00 93.51 H0 +ATOM 1037 HA ARG A 82 -21.138 -5.458 28.591 1.00107.88 H0 +ATOM 1038 HB2 ARG A 82 -20.288 -4.531 30.569 1.00119.50 H0 +ATOM 1039 HB3 ARG A 82 -19.245 -5.736 30.703 1.00119.50 H0 +ATOM 1040 HG2 ARG A 82 -17.899 -4.925 29.109 1.00128.26 H0 +ATOM 1041 HG3 ARG A 82 -19.090 -4.174 28.350 1.00128.26 H0 +ATOM 1042 HD2 ARG A 82 -18.224 -3.184 30.861 1.00135.82 H0 +ATOM 1043 HD3 ARG A 82 -17.394 -2.809 29.551 1.00135.82 H0 +ATOM 1044 HE ARG A 82 -19.181 -1.584 28.785 1.00154.48 H0 +ATOM 1045 HH11 ARG A 82 -19.847 -2.729 31.882 1.00149.59 H0 +ATOM 1046 HH12 ARG A 82 -21.051 -1.767 32.123 1.00149.59 H0 +ATOM 1047 HH21 ARG A 82 -20.908 -0.222 29.168 1.00157.19 H0 +ATOM 1048 HH22 ARG A 82 -21.676 -0.289 30.523 1.00157.19 H0 +ATOM 1049 N GLN A 83 -19.778 -6.839 27.074 1.00 93.62 N0 +ATOM 1050 CA GLN A 83 -18.923 -7.600 26.138 1.00 93.55 C0 +ATOM 1051 C GLN A 83 -19.642 -8.899 25.773 1.00 88.28 C0 +ATOM 1052 O GLN A 83 -19.227 -9.526 24.795 1.00 88.34 O0 +ATOM 1053 CB GLN A 83 -17.544 -7.863 26.763 1.00112.10 C0 +ATOM 1054 CG GLN A 83 -16.365 -7.478 25.870 1.00125.40 C0 +ATOM 1055 CD GLN A 83 -16.017 -6.008 25.942 1.00125.92 C0 +ATOM 1056 OE1 GLN A 83 -15.375 -5.552 26.888 1.00123.49 O0 +ATOM 1057 NE2 GLN A 83 -16.425 -5.254 24.929 1.00112.48 N0 +ATOM 1058 H GLN A 83 -20.373 -6.107 26.713 1.00 93.62 H0 +ATOM 1059 HA GLN A 83 -18.795 -7.061 25.324 1.00 93.55 H0 +ATOM 1060 HB2 GLN A 83 -17.481 -7.360 27.602 1.00112.10 H0 +ATOM 1061 HB3 GLN A 83 -17.477 -8.816 26.980 1.00112.10 H0 +ATOM 1062 HG2 GLN A 83 -15.577 -7.999 26.134 1.00125.40 H0 +ATOM 1063 HG3 GLN A 83 -16.578 -7.703 24.939 1.00125.40 H0 +ATOM 1064 HE21 GLN A 83 -16.247 -4.388 24.922 1.00112.48 H0 +ATOM 1065 HE22 GLN A 83 -16.875 -5.617 24.260 1.00112.48 H0 +ATOM 1066 N ARG A 84 -20.695 -9.278 26.501 1.00 85.00 N0 +ATOM 1067 CA ARG A 84 -21.333 -10.616 26.351 1.00 82.78 C0 +ATOM 1068 C ARG A 84 -22.733 -10.464 25.742 1.00 70.30 C0 +ATOM 1069 O ARG A 84 -23.325 -11.473 25.399 1.00 77.09 O0 +ATOM 1070 CB ARG A 84 -21.329 -11.399 27.675 1.00 82.93 C0 +ATOM 1071 CG ARG A 84 -21.630 -10.587 28.927 1.00 89.33 C0 +ATOM 1072 CD ARG A 84 -21.255 -11.349 30.188 1.00 86.98 C0 +ATOM 1073 NE ARG A 84 -21.890 -12.646 30.139 1.00 75.40 N0 +ATOM 1074 CZ ARG A 84 -23.039 -12.988 30.721 1.00 69.09 C0 +ATOM 1075 NH1 ARG A 84 -23.719 -12.147 31.480 1.00 65.03 N0 +ATOM 1076 NH2 ARG A 84 -23.500 -14.214 30.535 1.00 71.29 N0 +ATOM 1077 H ARG A 84 -21.068 -8.628 27.178 1.00 85.00 H0 +ATOM 1078 HA ARG A 84 -20.781 -11.159 25.736 1.00 82.78 H0 +ATOM 1079 HB2 ARG A 84 -22.000 -12.123 27.614 1.00 82.93 H0 +ATOM 1080 HB3 ARG A 84 -20.440 -11.817 27.791 1.00 82.93 H0 +ATOM 1081 HG2 ARG A 84 -21.125 -9.737 28.894 1.00 89.33 H0 +ATOM 1082 HG3 ARG A 84 -22.594 -10.368 28.950 1.00 89.33 H0 +ATOM 1083 HD2 ARG A 84 -20.271 -11.433 30.237 1.00 86.98 H0 +ATOM 1084 HD3 ARG A 84 -21.551 -10.834 30.979 1.00 86.98 H0 +ATOM 1085 HE ARG A 84 -21.481 -13.297 29.673 1.00 75.40 H0 +ATOM 1086 HH11 ARG A 84 -23.407 -11.315 31.616 1.00 65.03 H0 +ATOM 1087 HH12 ARG A 84 -24.491 -12.410 31.858 1.00 65.03 H0 +ATOM 1088 HH21 ARG A 84 -23.038 -14.793 30.025 1.00 71.29 H0 +ATOM 1089 HH22 ARG A 84 -24.273 -14.464 30.919 1.00 71.29 H0 +ATOM 1090 N ALA A 85 -23.234 -9.251 25.562 1.00 70.95 N0 +ATOM 1091 CA ALA A 85 -24.596 -9.019 25.025 1.00 73.86 C0 +ATOM 1092 C ALA A 85 -24.534 -8.176 23.748 1.00 74.20 C0 +ATOM 1093 O ALA A 85 -23.803 -7.167 23.723 1.00 75.53 O0 +ATOM 1094 CB ALA A 85 -25.440 -8.353 26.071 1.00 76.25 C0 +ATOM 1095 H ALA A 85 -22.658 -8.457 25.803 1.00 70.95 H0 +ATOM 1096 HA ALA A 85 -24.996 -9.891 24.797 1.00 73.86 H0 +ATOM 1097 HB1 ALA A 85 -26.331 -8.201 25.720 1.00 76.25 H0 +ATOM 1098 HB2 ALA A 85 -25.495 -8.922 26.855 1.00 76.25 H0 +ATOM 1099 HB3 ALA A 85 -25.041 -7.502 26.318 1.00 76.25 H0 +ATOM 1100 N ARG A 86 -25.284 -8.587 22.731 1.00 68.63 N0 +ATOM 1101 CA ARG A 86 -25.361 -7.899 21.428 1.00 73.09 C0 +ATOM 1102 C ARG A 86 -26.783 -8.059 20.905 1.00 72.25 C0 +ATOM 1103 O ARG A 86 -27.394 -9.121 21.103 1.00 63.78 O0 +ATOM 1104 CB ARG A 86 -24.312 -8.427 20.446 1.00 86.55 C0 +ATOM 1105 CG ARG A 86 -23.971 -9.903 20.612 1.00115.16 C0 +ATOM 1106 CD ARG A 86 -22.840 -10.387 19.714 1.00124.04 C0 +ATOM 1107 NE ARG A 86 -22.941 -9.819 18.373 1.00133.69 N0 +ATOM 1108 CZ ARG A 86 -22.095 -8.939 17.833 1.00139.02 C0 +ATOM 1109 NH1 ARG A 86 -21.032 -8.517 18.501 1.00137.86 N0 +ATOM 1110 NH2 ARG A 86 -22.317 -8.487 16.609 1.00139.00 N0 +ATOM 1111 H ARG A 86 -25.828 -9.425 22.878 1.00 68.63 H0 +ATOM 1112 HA ARG A 86 -25.165 -6.940 21.568 1.00 73.09 H0 +ATOM 1113 HB2 ARG A 86 -24.643 -8.283 19.525 1.00 86.55 H0 +ATOM 1114 HB3 ARG A 86 -23.483 -7.899 20.557 1.00 86.55 H0 +ATOM 1115 HG2 ARG A 86 -23.711 -10.074 21.551 1.00115.16 H0 +ATOM 1116 HG3 ARG A 86 -24.773 -10.447 20.414 1.00115.16 H0 +ATOM 1117 HD2 ARG A 86 -21.973 -10.134 20.118 1.00124.04 H0 +ATOM 1118 HD3 ARG A 86 -22.867 -11.374 19.660 1.00124.04 H0 +ATOM 1119 HE ARG A 86 -23.630 -10.078 17.857 1.00133.69 H0 +ATOM 1120 HH11 ARG A 86 -20.873 -8.825 19.331 1.00137.86 H0 +ATOM 1121 HH12 ARG A 86 -20.472 -7.924 18.123 1.00137.86 H0 +ATOM 1122 HH21 ARG A 86 -23.034 -8.774 16.149 1.00139.00 H0 +ATOM 1123 HH22 ARG A 86 -21.750 -7.894 16.241 1.00139.00 H0 +ATOM 1124 N LEU A 87 -27.304 -6.986 20.323 1.00 70.60 N0 +ATOM 1125 CA LEU A 87 -28.511 -7.022 19.475 1.00 72.38 C0 +ATOM 1126 C LEU A 87 -28.046 -7.342 18.058 1.00 77.46 C0 +ATOM 1127 O LEU A 87 -27.066 -6.714 17.581 1.00 90.99 O0 +ATOM 1128 CB LEU A 87 -29.209 -5.664 19.583 1.00 70.12 C0 +ATOM 1129 CG LEU A 87 -30.603 -5.593 18.976 1.00 73.25 C0 +ATOM 1130 CD1 LEU A 87 -31.562 -6.554 19.638 1.00 73.23 C0 +ATOM 1131 CD2 LEU A 87 -31.137 -4.180 19.071 1.00 81.67 C0 +ATOM 1132 H LEU A 87 -26.838 -6.104 20.478 1.00 70.60 H0 +ATOM 1133 HA LEU A 87 -29.103 -7.737 19.804 1.00 72.38 H0 +ATOM 1134 HB2 LEU A 87 -29.271 -5.424 20.529 1.00 70.12 H0 +ATOM 1135 HB3 LEU A 87 -28.647 -4.994 19.146 1.00 70.12 H0 +ATOM 1136 HG LEU A 87 -30.534 -5.838 18.020 1.00 73.25 H0 +ATOM 1137 HD11 LEU A 87 -31.233 -7.464 19.535 1.00 73.23 H0 +ATOM 1138 HD12 LEU A 87 -32.438 -6.476 19.222 1.00 73.23 H0 +ATOM 1139 HD13 LEU A 87 -31.633 -6.341 20.585 1.00 73.23 H0 +ATOM 1140 HD21 LEU A 87 -31.180 -3.911 20.005 1.00 81.67 H0 +ATOM 1141 HD22 LEU A 87 -32.027 -4.143 18.680 1.00 81.67 H0 +ATOM 1142 HD23 LEU A 87 -30.546 -3.577 18.588 1.00 81.67 H0 +ATOM 1143 N LEU A 88 -28.694 -8.321 17.441 1.00 84.78 N0 +ATOM 1144 CA LEU A 88 -28.397 -8.797 16.069 1.00 92.21 C0 +ATOM 1145 C LEU A 88 -29.070 -7.826 15.090 1.00 86.60 C0 +ATOM 1146 O LEU A 88 -30.305 -7.925 14.942 1.00 95.82 O0 +ATOM 1147 CB LEU A 88 -28.933 -10.233 15.934 1.00102.29 C0 +ATOM 1148 CG LEU A 88 -28.462 -11.261 16.978 1.00 96.78 C0 +ATOM 1149 CD1 LEU A 88 -28.960 -12.665 16.637 1.00 93.89 C0 +ATOM 1150 CD2 LEU A 88 -26.945 -11.280 17.119 1.00 97.40 C0 +ATOM 1151 H LEU A 88 -29.439 -8.759 17.963 1.00 84.78 H0 +ATOM 1152 HA LEU A 88 -27.421 -8.778 15.936 1.00 92.21 H0 +ATOM 1153 HB2 LEU A 88 -29.910 -10.201 15.971 1.00102.29 H0 +ATOM 1154 HB3 LEU A 88 -28.683 -10.573 15.052 1.00102.29 H0 +ATOM 1155 HG LEU A 88 -28.839 -11.002 17.855 1.00 96.78 H0 +ATOM 1156 HD11 LEU A 88 -29.933 -12.668 16.615 1.00 93.89 H0 +ATOM 1157 HD12 LEU A 88 -28.647 -13.293 17.311 1.00 93.89 H0 +ATOM 1158 HD13 LEU A 88 -28.616 -12.929 15.766 1.00 93.89 H0 +ATOM 1159 HD21 LEU A 88 -26.542 -11.510 16.263 1.00 97.40 H0 +ATOM 1160 HD22 LEU A 88 -26.689 -11.940 17.787 1.00 97.40 H0 +ATOM 1161 HD23 LEU A 88 -26.634 -10.401 17.397 1.00 97.40 H0 +ATOM 1162 N LYS A 89 -28.307 -6.897 14.498 1.00 90.41 N0 +ATOM 1163 CA LYS A 89 -28.858 -5.704 13.788 1.00 98.05 C0 +ATOM 1164 C LYS A 89 -29.377 -6.102 12.396 1.00101.92 C0 +ATOM 1165 O LYS A 89 -30.231 -5.378 11.844 1.00 99.21 O0 +ATOM 1166 CB LYS A 89 -27.812 -4.588 13.667 1.00101.44 C0 +ATOM 1167 CG LYS A 89 -27.070 -4.223 14.948 1.00108.69 C0 +ATOM 1168 CD LYS A 89 -25.581 -4.019 14.739 1.00119.08 C0 +ATOM 1169 CE LYS A 89 -24.839 -5.279 14.321 1.00118.62 C0 +ATOM 1170 NZ LYS A 89 -23.643 -4.964 13.496 1.00104.24 N0 +ATOM 1171 H LYS A 89 -27.306 -7.024 14.543 1.00 90.41 H0 +ATOM 1172 HA LYS A 89 -29.615 -5.351 14.311 1.00 98.05 H0 +ATOM 1173 HB2 LYS A 89 -27.150 -4.852 12.994 1.00101.44 H0 +ATOM 1174 HB3 LYS A 89 -28.254 -3.782 13.328 1.00101.44 H0 +ATOM 1175 HG2 LYS A 89 -27.456 -3.396 15.308 1.00108.69 H0 +ATOM 1176 HG3 LYS A 89 -27.203 -4.942 15.602 1.00108.69 H0 +ATOM 1177 HD2 LYS A 89 -25.445 -3.335 14.049 1.00119.08 H0 +ATOM 1178 HD3 LYS A 89 -25.183 -3.686 15.572 1.00119.08 H0 +ATOM 1179 HE2 LYS A 89 -24.557 -5.771 15.115 1.00118.62 H0 +ATOM 1180 HE3 LYS A 89 -25.436 -5.855 13.808 1.00118.62 H0 +ATOM 1181 HZ1 LYS A 89 -23.895 -4.520 12.747 1.00104.24 H0 +ATOM 1182 HZ2 LYS A 89 -23.219 -5.732 13.264 1.00104.24 H0 +ATOM 1183 HZ3 LYS A 89 -23.072 -4.443 13.970 1.00104.24 H0 +ATOM 1184 N ASP A 90 -28.858 -7.201 11.844 1.00106.98 N0 +ATOM 1185 CA ASP A 90 -29.239 -7.745 10.512 1.00106.22 C0 +ATOM 1186 C ASP A 90 -30.681 -8.255 10.613 1.00100.16 C0 +ATOM 1187 O ASP A 90 -31.466 -7.986 9.693 1.00108.36 O0 +ATOM 1188 CB ASP A 90 -28.224 -8.805 10.072 1.00115.00 C0 +ATOM 1189 CG ASP A 90 -26.783 -8.369 10.319 1.00123.73 C0 +ATOM 1190 OD1 ASP A 90 -26.330 -7.432 9.626 1.00131.53 O0 +ATOM 1191 OD2 ASP A 90 -26.141 -8.923 11.242 1.00113.62 O0 +ATOM 1192 H ASP A 90 -28.157 -7.681 12.390 1.00106.98 H0 +ATOM 1193 HA ASP A 90 -29.192 -7.015 9.851 1.00106.22 H0 +ATOM 1194 HB2 ASP A 90 -28.389 -9.624 10.582 1.00115.00 H0 +ATOM 1195 HB3 ASP A 90 -28.337 -8.964 9.113 1.00115.00 H0 +ATOM 1196 N GLN A 91 -31.014 -8.895 11.738 1.00 94.80 N0 +ATOM 1197 CA GLN A 91 -32.370 -9.399 12.104 1.00 90.72 C0 +ATOM 1198 C GLN A 91 -33.396 -8.257 12.188 1.00 83.85 C0 +ATOM 1199 O GLN A 91 -34.609 -8.531 12.040 1.00 85.09 O0 +ATOM 1200 CB GLN A 91 -32.329 -10.098 13.470 1.00 95.88 C0 +ATOM 1201 CG GLN A 91 -31.545 -11.408 13.501 1.00 97.13 C0 +ATOM 1202 CD GLN A 91 -32.018 -12.421 12.481 1.00 99.96 C0 +ATOM 1203 OE1 GLN A 91 -33.164 -12.891 12.507 1.00 78.04 O0 +ATOM 1204 NE2 GLN A 91 -31.129 -12.762 11.560 1.00102.67 N0 +ATOM 1205 H GLN A 91 -30.247 -9.034 12.381 1.00 94.80 H0 +ATOM 1206 HA GLN A 91 -32.672 -10.021 11.402 1.00 90.72 H0 +ATOM 1207 HB2 GLN A 91 -31.931 -9.484 14.122 1.00 95.88 H0 +ATOM 1208 HB3 GLN A 91 -33.249 -10.281 13.754 1.00 95.88 H0 +ATOM 1209 HG2 GLN A 91 -30.597 -11.221 13.334 1.00 97.13 H0 +ATOM 1210 HG3 GLN A 91 -31.621 -11.809 14.393 1.00 97.13 H0 +ATOM 1211 HE21 GLN A 91 -31.343 -13.349 10.935 1.00102.67 H0 +ATOM 1212 HE22 GLN A 91 -30.322 -12.402 11.570 1.00102.67 H0 +ATOM 1213 N LEU A 92 -32.949 -7.040 12.500 1.00 77.55 N0 +ATOM 1214 CA LEU A 92 -33.863 -5.904 12.789 1.00 84.96 C0 +ATOM 1215 C LEU A 92 -34.718 -5.643 11.541 1.00 88.13 C0 +ATOM 1216 O LEU A 92 -35.937 -5.413 11.686 1.00 85.59 O0 +ATOM 1217 CB LEU A 92 -33.030 -4.688 13.217 1.00 82.45 C0 +ATOM 1218 CG LEU A 92 -33.149 -4.217 14.673 1.00 81.23 C0 +ATOM 1219 CD1 LEU A 92 -33.729 -5.250 15.620 1.00 78.74 C0 +ATOM 1220 CD2 LEU A 92 -31.814 -3.739 15.192 1.00 79.39 C0 +ATOM 1221 H LEU A 92 -31.951 -6.891 12.540 1.00 77.55 H0 +ATOM 1222 HA LEU A 92 -34.450 -6.158 13.538 1.00 84.96 H0 +ATOM 1223 HB2 LEU A 92 -32.087 -4.888 13.053 1.00 82.45 H0 +ATOM 1224 HB3 LEU A 92 -33.274 -3.932 12.647 1.00 82.45 H0 +ATOM 1225 HG LEU A 92 -33.779 -3.455 14.698 1.00 81.23 H0 +ATOM 1226 HD11 LEU A 92 -34.624 -5.494 15.326 1.00 78.74 H0 +ATOM 1227 HD12 LEU A 92 -33.771 -4.879 16.518 1.00 78.74 H0 +ATOM 1228 HD13 LEU A 92 -33.163 -6.041 15.623 1.00 78.74 H0 +ATOM 1229 HD21 LEU A 92 -31.169 -4.467 15.149 1.00 79.39 H0 +ATOM 1230 HD22 LEU A 92 -31.911 -3.445 16.114 1.00 79.39 H0 +ATOM 1231 HD23 LEU A 92 -31.501 -2.997 14.647 1.00 79.39 H0 +ATOM 1232 N SER A 93 -34.109 -5.768 10.360 1.00 94.49 N0 +ATOM 1233 CA SER A 93 -34.750 -5.585 9.032 1.00 89.87 C0 +ATOM 1234 C SER A 93 -35.882 -6.594 8.816 1.00 90.41 C0 +ATOM 1235 O SER A 93 -36.836 -6.253 8.101 1.00 96.16 O0 +ATOM 1236 CB SER A 93 -33.724 -5.667 7.944 1.00 92.93 C0 +ATOM 1237 OG SER A 93 -32.647 -4.780 8.227 1.00104.70 O0 +ATOM 1238 H SER A 93 -33.129 -6.008 10.405 1.00 94.49 H0 +ATOM 1239 HA SER A 93 -35.148 -4.680 9.006 1.00 89.87 H0 +ATOM 1240 HB2 SER A 93 -33.388 -6.595 7.881 1.00 92.93 H0 +ATOM 1241 HB3 SER A 93 -34.142 -5.424 7.081 1.00 92.93 H0 +ATOM 1242 HG SER A 93 -32.083 -4.839 7.608 0.00104.70 H0 +ATOM 1243 N LEU A 94 -35.819 -7.778 9.421 1.00 84.86 N0 +ATOM 1244 CA LEU A 94 -36.845 -8.827 9.192 1.00 94.06 C0 +ATOM 1245 C LEU A 94 -37.852 -8.843 10.348 1.00 94.24 C0 +ATOM 1246 O LEU A 94 -38.539 -9.862 10.506 1.00 94.96 O0 +ATOM 1247 CB LEU A 94 -36.140 -10.177 9.015 1.00119.20 C0 +ATOM 1248 CG LEU A 94 -35.097 -10.245 7.890 1.00129.02 C0 +ATOM 1249 CD1 LEU A 94 -34.293 -11.539 7.967 1.00125.38 C0 +ATOM 1250 CD2 LEU A 94 -35.741 -10.099 6.514 1.00123.29 C0 +ATOM 1251 H LEU A 94 -35.053 -7.967 10.052 1.00 84.86 H0 +ATOM 1252 HA LEU A 94 -37.329 -8.614 8.361 1.00 94.06 H0 +ATOM 1253 HB2 LEU A 94 -35.698 -10.406 9.857 1.00119.20 H0 +ATOM 1254 HB3 LEU A 94 -36.820 -10.859 8.844 1.00119.20 H0 +ATOM 1255 HG LEU A 94 -34.468 -9.491 8.009 1.00129.02 H0 +ATOM 1256 HD11 LEU A 94 -33.833 -11.585 8.823 1.00125.38 H0 +ATOM 1257 HD12 LEU A 94 -33.641 -11.559 7.245 1.00125.38 H0 +ATOM 1258 HD13 LEU A 94 -34.893 -12.300 7.882 1.00125.38 H0 +ATOM 1259 HD21 LEU A 94 -36.385 -10.816 6.379 1.00123.29 H0 +ATOM 1260 HD22 LEU A 94 -35.053 -10.146 5.827 1.00123.29 H0 +ATOM 1261 HD23 LEU A 94 -36.196 -9.241 6.458 1.00123.29 H0 +ATOM 1262 N GLY A 95 -37.956 -7.748 11.110 1.00 93.70 N0 +ATOM 1263 CA GLY A 95 -38.901 -7.610 12.234 1.00 84.31 C0 +ATOM 1264 C GLY A 95 -38.467 -8.435 13.431 1.00 76.46 C0 +ATOM 1265 O GLY A 95 -39.342 -8.854 14.197 1.00 75.06 O0 +ATOM 1266 H GLY A 95 -37.341 -6.979 10.886 1.00 93.70 H0 +ATOM 1267 HA2 GLY A 95 -38.958 -6.656 12.493 1.00 84.31 H0 +ATOM 1268 HA3 GLY A 95 -39.799 -7.903 11.939 1.00 84.31 H0 +ATOM 1269 N ASN A 96 -37.160 -8.648 13.600 1.00 77.14 N0 +ATOM 1270 CA ASN A 96 -36.622 -9.556 14.649 1.00 84.06 C0 +ATOM 1271 C ASN A 96 -35.654 -8.798 15.568 1.00 76.15 C0 +ATOM 1272 O ASN A 96 -34.602 -8.282 15.097 1.00 65.05 O0 +ATOM 1273 CB ASN A 96 -35.991 -10.808 14.038 1.00 90.04 C0 +ATOM 1274 CG ASN A 96 -35.576 -11.836 15.074 1.00 97.52 C0 +ATOM 1275 OD1 ASN A 96 -36.286 -12.098 16.047 1.00 91.53 O0 +ATOM 1276 ND2 ASN A 96 -34.429 -12.454 14.858 1.00100.95 N0 +ATOM 1277 H ASN A 96 -36.517 -8.169 12.986 1.00 77.14 H0 +ATOM 1278 HA ASN A 96 -37.375 -9.883 15.195 1.00 84.06 H0 +ATOM 1279 HB2 ASN A 96 -36.632 -11.218 13.422 1.00 90.04 H0 +ATOM 1280 HB3 ASN A 96 -35.204 -10.545 13.518 1.00 90.04 H0 +ATOM 1281 HD21 ASN A 96 -34.140 -13.062 15.430 1.00100.95 H0 +ATOM 1282 HD22 ASN A 96 -33.950 -12.259 14.141 1.00100.95 H0 +ATOM 1283 N ALA A 97 -35.996 -8.752 16.855 1.00 67.47 N0 +ATOM 1284 CA ALA A 97 -35.197 -8.086 17.903 1.00 70.27 C0 +ATOM 1285 C ALA A 97 -34.563 -9.178 18.756 1.00 66.50 C0 +ATOM 1286 O ALA A 97 -34.978 -9.372 19.882 1.00 82.28 O0 +ATOM 1287 CB ALA A 97 -36.068 -7.165 18.718 1.00 69.25 C0 +ATOM 1288 H ALA A 97 -36.861 -9.208 17.110 1.00 67.47 H0 +ATOM 1289 HA ALA A 97 -34.490 -7.554 17.467 1.00 70.27 H0 +ATOM 1290 HB1 ALA A 97 -35.533 -6.733 19.402 1.00 69.25 H0 +ATOM 1291 HB2 ALA A 97 -36.457 -6.490 18.140 1.00 69.25 H0 +ATOM 1292 HB3 ALA A 97 -36.778 -7.677 19.139 1.00 69.25 H0 +ATOM 1293 N ALA A 98 -33.612 -9.906 18.206 1.00 69.35 N0 +ATOM 1294 CA ALA A 98 -33.051 -11.097 18.869 1.00 63.90 C0 +ATOM 1295 C ALA A 98 -31.920 -10.634 19.770 1.00 62.40 C0 +ATOM 1296 O ALA A 98 -31.033 -9.948 19.255 1.00 59.20 O0 +ATOM 1297 CB ALA A 98 -32.564 -12.082 17.848 1.00 68.67 C0 +ATOM 1298 H ALA A 98 -33.259 -9.635 17.299 1.00 69.35 H0 +ATOM 1299 HA ALA A 98 -33.758 -11.513 19.416 1.00 63.90 H0 +ATOM 1300 HB1 ALA A 98 -32.198 -12.860 18.297 1.00 68.67 H0 +ATOM 1301 HB2 ALA A 98 -33.303 -12.355 17.282 1.00 68.67 H0 +ATOM 1302 HB3 ALA A 98 -31.874 -11.670 17.302 1.00 68.67 H0 +ATOM 1303 N LEU A 99 -31.979 -10.974 21.058 1.00 56.55 N0 +ATOM 1304 CA LEU A 99 -30.864 -10.718 21.999 1.00 64.38 C0 +ATOM 1305 C LEU A 99 -30.035 -11.993 22.115 1.00 64.67 C0 +ATOM 1306 O LEU A 99 -30.606 -13.044 22.404 1.00 67.99 O0 +ATOM 1307 CB LEU A 99 -31.420 -10.312 23.357 1.00 57.40 C0 +ATOM 1308 CG LEU A 99 -30.385 -10.230 24.459 1.00 62.13 C0 +ATOM 1309 CD1 LEU A 99 -29.348 -9.187 24.138 1.00 66.97 C0 +ATOM 1310 CD2 LEU A 99 -31.038 -9.956 25.800 1.00 71.70 C0 +ATOM 1311 H LEU A 99 -32.818 -11.422 21.398 1.00 56.55 H0 +ATOM 1312 HA LEU A 99 -30.303 -9.997 21.630 1.00 64.38 H0 +ATOM 1313 HB2 LEU A 99 -31.855 -9.441 23.263 1.00 57.40 H0 +ATOM 1314 HB3 LEU A 99 -32.108 -10.958 23.614 1.00 57.40 H0 +ATOM 1315 HG LEU A 99 -29.927 -11.105 24.515 1.00 62.13 H0 +ATOM 1316 HD11 LEU A 99 -28.903 -9.418 23.304 1.00 66.97 H0 +ATOM 1317 HD12 LEU A 99 -28.693 -9.148 24.857 1.00 66.97 H0 +ATOM 1318 HD13 LEU A 99 -29.778 -8.319 24.045 1.00 66.97 H0 +ATOM 1319 HD21 LEU A 99 -31.519 -9.111 25.760 1.00 71.70 H0 +ATOM 1320 HD22 LEU A 99 -30.354 -9.909 26.490 1.00 71.70 H0 +ATOM 1321 HD23 LEU A 99 -31.661 -10.673 26.010 1.00 71.70 H0 +ATOM 1322 N GLN A 100 -28.747 -11.880 21.856 1.00 67.50 N0 +ATOM 1323 CA GLN A 100 -27.779 -12.975 22.033 1.00 76.35 C0 +ATOM 1324 C GLN A 100 -26.951 -12.625 23.257 1.00 69.57 C0 +ATOM 1325 O GLN A 100 -26.475 -11.477 23.331 1.00 65.60 O0 +ATOM 1326 CB GLN A 100 -26.874 -13.148 20.814 1.00 86.31 C0 +ATOM 1327 CG GLN A 100 -25.736 -14.134 21.065 1.00100.59 C0 +ATOM 1328 CD GLN A 100 -24.857 -14.349 19.858 1.00100.28 C0 +ATOM 1329 OE1 GLN A 100 -23.897 -13.609 19.615 1.00 89.93 O0 +ATOM 1330 NE2 GLN A 100 -25.178 -15.390 19.106 1.00103.87 N0 +ATOM 1331 H GLN A 100 -28.422 -10.985 21.518 1.00 67.50 H0 +ATOM 1332 HA GLN A 100 -28.277 -13.810 22.189 1.00 76.35 H0 +ATOM 1333 HB2 GLN A 100 -27.420 -13.459 20.062 1.00 86.31 H0 +ATOM 1334 HB3 GLN A 100 -26.505 -12.273 20.573 1.00 86.31 H0 +ATOM 1335 HG2 GLN A 100 -25.179 -13.803 21.802 1.00100.59 H0 +ATOM 1336 HG3 GLN A 100 -26.112 -14.999 21.335 1.00100.59 H0 +ATOM 1337 HE21 GLN A 100 -24.705 -15.575 18.382 1.00103.87 H0 +ATOM 1338 HE22 GLN A 100 -25.865 -15.900 19.327 1.00103.87 H0 +ATOM 1339 N ILE A 101 -26.796 -13.587 24.162 1.00 64.04 N0 +ATOM 1340 CA ILE A 101 -25.941 -13.467 25.379 1.00 65.61 C0 +ATOM 1341 C ILE A 101 -24.912 -14.594 25.318 1.00 68.61 C0 +ATOM 1342 O ILE A 101 -25.336 -15.791 25.186 1.00 64.77 O0 +ATOM 1343 CB ILE A 101 -26.743 -13.590 26.683 1.00 64.94 C0 +ATOM 1344 CG1 ILE A 101 -27.998 -12.722 26.708 1.00 70.40 C0 +ATOM 1345 CG2 ILE A 101 -25.823 -13.317 27.864 1.00 71.87 C0 +ATOM 1346 CD1 ILE A 101 -27.721 -11.288 27.036 1.00 77.31 C0 +ATOM 1347 H ILE A 101 -27.299 -14.447 23.996 1.00 64.04 H0 +ATOM 1348 HA ILE A 101 -25.481 -12.609 25.348 1.00 65.61 H0 +ATOM 1349 HB ILE A 101 -27.062 -14.524 26.747 1.00 64.94 H0 +ATOM 1350 HG12 ILE A 101 -28.432 -12.771 25.830 1.00 70.40 H0 +ATOM 1351 HG13 ILE A 101 -28.620 -13.088 27.372 1.00 70.40 H0 +ATOM 1352 HG21 ILE A 101 -25.096 -13.964 27.869 1.00 71.87 H0 +ATOM 1353 HG22 ILE A 101 -26.324 -13.396 28.694 1.00 71.87 H0 +ATOM 1354 HG23 ILE A 101 -25.455 -12.419 27.792 1.00 71.87 H0 +ATOM 1355 HD11 ILE A 101 -27.308 -11.229 27.915 1.00 77.31 H0 +ATOM 1356 HD12 ILE A 101 -28.555 -10.787 27.037 1.00 77.31 H0 +ATOM 1357 HD13 ILE A 101 -27.119 -10.912 26.370 1.00 77.31 H0 +ATOM 1358 N THR A 102 -23.632 -14.251 25.452 1.00 67.78 N0 +ATOM 1359 CA THR A 102 -22.528 -15.240 25.415 1.00 73.17 C0 +ATOM 1360 C THR A 102 -22.233 -15.682 26.847 1.00 73.76 C0 +ATOM 1361 O THR A 102 -22.420 -14.843 27.789 1.00 66.04 O0 +ATOM 1362 CB THR A 102 -21.299 -14.719 24.654 1.00 70.62 C0 +ATOM 1363 OG1 THR A 102 -20.714 -13.608 25.343 1.00 71.89 O0 +ATOM 1364 CG2 THR A 102 -21.651 -14.366 23.230 1.00 67.72 C0 +ATOM 1365 H THR A 102 -23.413 -13.274 25.584 1.00 67.78 H0 +ATOM 1366 HA THR A 102 -22.834 -16.021 24.891 1.00 73.17 H0 +ATOM 1367 HB THR A 102 -20.607 -15.426 24.661 1.00 70.62 H0 +ATOM 1368 HG1 THR A 102 -20.045 -13.333 24.918 0.00 71.89 H0 +ATOM 1369 HG21 THR A 102 -21.992 -15.169 22.764 1.00 67.72 H0 +ATOM 1370 HG22 THR A 102 -20.845 -14.035 22.762 1.00 67.72 H0 +ATOM 1371 HG23 THR A 102 -22.346 -13.663 23.225 1.00 67.72 H0 +ATOM 1372 N ASP A 103 -21.829 -16.951 26.984 1.00 63.52 N0 +ATOM 1373 CA ASP A 103 -21.231 -17.525 28.215 1.00 68.49 C0 +ATOM 1374 C ASP A 103 -22.240 -17.398 29.356 1.00 62.63 C0 +ATOM 1375 O ASP A 103 -21.916 -16.834 30.421 1.00 65.58 O0 +ATOM 1376 CB ASP A 103 -19.883 -16.867 28.523 1.00 80.23 C0 +ATOM 1377 CG ASP A 103 -19.155 -17.484 29.706 1.00 96.72 C0 +ATOM 1378 OD1 ASP A 103 -19.467 -18.657 30.042 1.00102.66 O0 +ATOM 1379 OD2 ASP A 103 -18.291 -16.786 30.291 1.00102.71 O0 +ATOM 1380 H ASP A 103 -21.951 -17.542 26.174 1.00 63.52 H0 +ATOM 1381 HA ASP A 103 -21.043 -18.480 28.056 1.00 68.49 H0 +ATOM 1382 HB2 ASP A 103 -19.305 -16.960 27.738 1.00 80.23 H0 +ATOM 1383 HB3 ASP A 103 -20.038 -15.923 28.730 1.00 80.23 H0 +ATOM 1384 N VAL A 104 -23.422 -17.954 29.146 1.00 57.74 N0 +ATOM 1385 CA VAL A 104 -24.559 -17.801 30.084 1.00 61.10 C0 +ATOM 1386 C VAL A 104 -24.212 -18.476 31.418 1.00 68.59 C0 +ATOM 1387 O VAL A 104 -23.806 -19.640 31.387 1.00 71.17 O0 +ATOM 1388 CB VAL A 104 -25.804 -18.414 29.432 1.00 58.87 C0 +ATOM 1389 CG1 VAL A 104 -26.913 -18.614 30.422 1.00 59.11 C0 +ATOM 1390 CG2 VAL A 104 -26.263 -17.581 28.260 1.00 66.07 C0 +ATOM 1391 H VAL A 104 -23.545 -18.504 28.308 1.00 57.74 H0 +ATOM 1392 HA VAL A 104 -24.696 -16.851 30.249 1.00 61.10 H0 +ATOM 1393 HB VAL A 104 -25.547 -19.306 29.091 1.00 58.87 H0 +ATOM 1394 HG11 VAL A 104 -26.614 -19.212 31.129 1.00 59.11 H0 +ATOM 1395 HG12 VAL A 104 -27.683 -19.003 29.973 1.00 59.11 H0 +ATOM 1396 HG13 VAL A 104 -27.163 -17.756 30.808 1.00 59.11 H0 +ATOM 1397 HG21 VAL A 104 -26.479 -16.683 28.565 1.00 66.07 H0 +ATOM 1398 HG22 VAL A 104 -27.052 -17.987 27.862 1.00 66.07 H0 +ATOM 1399 HG23 VAL A 104 -25.553 -17.535 27.596 1.00 66.07 H0 +ATOM 1400 N LYS A 105 -24.429 -17.787 32.542 1.00 74.27 N0 +ATOM 1401 CA LYS A 105 -24.227 -18.319 33.918 1.00 72.59 C0 +ATOM 1402 C LYS A 105 -25.569 -18.337 34.664 1.00 71.85 C0 +ATOM 1403 O LYS A 105 -26.575 -17.953 34.078 1.00 67.31 O0 +ATOM 1404 CB LYS A 105 -23.203 -17.462 34.660 1.00 79.11 C0 +ATOM 1405 CG LYS A 105 -21.924 -17.162 33.888 1.00 94.91 C0 +ATOM 1406 CD LYS A 105 -21.052 -18.390 33.663 1.00102.92 C0 +ATOM 1407 CE LYS A 105 -19.575 -18.075 33.513 1.00106.58 C0 +ATOM 1408 NZ LYS A 105 -19.002 -17.469 34.741 1.00108.85 N0 +ATOM 1409 H LYS A 105 -24.754 -16.838 32.424 1.00 74.27 H0 +ATOM 1410 HA LYS A 105 -23.892 -19.243 33.850 1.00 72.59 H0 +ATOM 1411 HB2 LYS A 105 -23.627 -16.613 34.907 1.00 79.11 H0 +ATOM 1412 HB3 LYS A 105 -22.966 -17.914 35.496 1.00 79.11 H0 +ATOM 1413 HG2 LYS A 105 -22.166 -16.783 33.016 1.00 94.91 H0 +ATOM 1414 HG3 LYS A 105 -21.407 -16.494 34.387 1.00 94.91 H0 +ATOM 1415 HD2 LYS A 105 -21.163 -19.005 34.419 1.00102.92 H0 +ATOM 1416 HD3 LYS A 105 -21.355 -18.854 32.853 1.00102.92 H0 +ATOM 1417 HE2 LYS A 105 -19.085 -18.894 33.310 1.00106.58 H0 +ATOM 1418 HE3 LYS A 105 -19.446 -17.456 32.769 1.00106.58 H0 +ATOM 1419 HZ1 LYS A 105 -19.436 -16.696 34.933 1.00108.85 H0 +ATOM 1420 HZ2 LYS A 105 -18.120 -17.297 34.616 1.00108.85 H0 +ATOM 1421 HZ3 LYS A 105 -19.095 -18.042 35.438 1.00108.85 H0 +ATOM 1422 N LEU A 106 -25.587 -18.756 35.929 1.00 69.56 N0 +ATOM 1423 CA LEU A 106 -26.845 -18.907 36.718 1.00 68.96 C0 +ATOM 1424 C LEU A 106 -27.481 -17.532 36.988 1.00 63.68 C0 +ATOM 1425 O LEU A 106 -28.704 -17.465 37.133 1.00 62.61 O0 +ATOM 1426 CB LEU A 106 -26.506 -19.647 38.013 1.00 78.79 C0 +ATOM 1427 CG LEU A 106 -26.993 -21.093 38.118 1.00 84.24 C0 +ATOM 1428 CD1 LEU A 106 -26.527 -21.951 36.967 1.00 82.08 C0 +ATOM 1429 CD2 LEU A 106 -26.523 -21.701 39.423 1.00 98.19 C0 +ATOM 1430 H LEU A 106 -24.703 -18.979 36.364 1.00 69.56 H0 +ATOM 1431 HA LEU A 106 -27.482 -19.443 36.191 1.00 68.96 H0 +ATOM 1432 HB2 LEU A 106 -25.534 -19.647 38.121 1.00 78.79 H0 +ATOM 1433 HB3 LEU A 106 -26.886 -19.146 38.762 1.00 78.79 H0 +ATOM 1434 HG LEU A 106 -27.982 -21.084 38.113 1.00 84.24 H0 +ATOM 1435 HD11 LEU A 106 -26.863 -21.583 36.131 1.00 82.08 H0 +ATOM 1436 HD12 LEU A 106 -26.862 -22.857 37.081 1.00 82.08 H0 +ATOM 1437 HD13 LEU A 106 -25.554 -21.966 36.946 1.00 82.08 H0 +ATOM 1438 HD21 LEU A 106 -25.551 -21.686 39.456 1.00 98.19 H0 +ATOM 1439 HD22 LEU A 106 -26.836 -22.620 39.484 1.00 98.19 H0 +ATOM 1440 HD23 LEU A 106 -26.880 -21.187 40.168 1.00 98.19 H0 +ATOM 1441 N GLN A 107 -26.668 -16.476 37.018 1.00 68.48 N0 +ATOM 1442 CA GLN A 107 -27.085 -15.074 37.286 1.00 76.46 C0 +ATOM 1443 C GLN A 107 -27.917 -14.562 36.114 1.00 70.78 C0 +ATOM 1444 O GLN A 107 -28.583 -13.557 36.312 1.00 84.69 O0 +ATOM 1445 CB GLN A 107 -25.887 -14.134 37.470 1.00 78.57 C0 +ATOM 1446 CG GLN A 107 -24.857 -14.635 38.473 1.00 92.73 C0 +ATOM 1447 CD GLN A 107 -23.832 -15.573 37.873 1.00 99.11 C0 +ATOM 1448 OE1 GLN A 107 -24.099 -16.752 37.636 1.00108.09 O0 +ATOM 1449 NE2 GLN A 107 -22.628 -15.068 37.650 1.00 93.53 N0 +ATOM 1450 H GLN A 107 -25.694 -16.675 36.840 1.00 68.48 H0 +ATOM 1451 HA GLN A 107 -27.641 -15.064 38.098 1.00 76.46 H0 +ATOM 1452 HB2 GLN A 107 -25.451 -14.011 36.601 1.00 78.57 H0 +ATOM 1453 HB3 GLN A 107 -26.219 -13.260 37.764 1.00 78.57 H0 +ATOM 1454 HG2 GLN A 107 -24.384 -13.868 38.860 1.00 92.73 H0 +ATOM 1455 HG3 GLN A 107 -25.317 -15.105 39.200 1.00 92.73 H0 +ATOM 1456 HE21 GLN A 107 -21.993 -15.575 37.301 1.00 93.53 H0 +ATOM 1457 HE22 GLN A 107 -22.458 -14.224 37.850 1.00 93.53 H0 +ATOM 1458 N ASP A 108 -27.863 -15.226 34.955 1.00 65.57 N0 +ATOM 1459 CA ASP A 108 -28.609 -14.820 33.735 1.00 65.11 C0 +ATOM 1460 C ASP A 108 -29.985 -15.467 33.736 1.00 56.65 C0 +ATOM 1461 O ASP A 108 -30.801 -15.143 32.846 1.00 60.56 O0 +ATOM 1462 CB ASP A 108 -27.875 -15.187 32.447 1.00 59.84 C0 +ATOM 1463 CG ASP A 108 -26.521 -14.513 32.344 1.00 71.06 C0 +ATOM 1464 OD1 ASP A 108 -26.457 -13.281 32.549 1.00 73.14 O0 +ATOM 1465 OD2 ASP A 108 -25.534 -15.233 32.082 1.00 79.68 O0 +ATOM 1466 H ASP A 108 -27.277 -16.048 34.923 1.00 65.57 H0 +ATOM 1467 HA ASP A 108 -28.722 -13.841 33.749 1.00 65.11 H0 +ATOM 1468 HB2 ASP A 108 -27.739 -16.156 32.432 1.00 59.84 H0 +ATOM 1469 HB3 ASP A 108 -28.421 -14.901 31.686 1.00 59.84 H0 +ATOM 1470 N ALA A 109 -30.240 -16.374 34.663 1.00 56.22 N0 +ATOM 1471 CA ALA A 109 -31.592 -16.932 34.852 1.00 64.48 C0 +ATOM 1472 C ALA A 109 -32.482 -15.786 35.344 1.00 57.84 C0 +ATOM 1473 O ALA A 109 -31.999 -14.947 36.111 1.00 59.81 O0 +ATOM 1474 CB ALA A 109 -31.556 -18.094 35.814 1.00 69.75 C0 +ATOM 1475 H ALA A 109 -29.488 -16.693 35.257 1.00 56.22 H0 +ATOM 1476 HA ALA A 109 -31.920 -17.260 33.982 1.00 64.48 H0 +ATOM 1477 HB1 ALA A 109 -32.451 -18.449 35.928 1.00 69.75 H0 +ATOM 1478 HB2 ALA A 109 -30.977 -18.788 35.463 1.00 69.75 H0 +ATOM 1479 HB3 ALA A 109 -31.216 -17.794 36.674 1.00 69.75 H0 +ATOM 1480 N GLY A 110 -33.718 -15.730 34.887 1.00 58.80 N0 +ATOM 1481 CA GLY A 110 -34.662 -14.687 35.299 1.00 64.61 C0 +ATOM 1482 C GLY A 110 -35.604 -14.352 34.169 1.00 64.66 C0 +ATOM 1483 O GLY A 110 -35.642 -15.109 33.169 1.00 63.04 O0 +ATOM 1484 H GLY A 110 -34.019 -16.435 34.229 1.00 58.80 H0 +ATOM 1485 HA2 GLY A 110 -35.173 -15.006 36.084 1.00 64.61 H0 +ATOM 1486 HA3 GLY A 110 -34.155 -13.881 35.569 1.00 64.61 H0 +ATOM 1487 N VAL A 111 -36.362 -13.274 34.351 1.00 65.65 N0 +ATOM 1488 CA VAL A 111 -37.404 -12.828 33.393 1.00 66.10 C0 +ATOM 1489 C VAL A 111 -36.812 -11.674 32.606 1.00 67.02 C0 +ATOM 1490 O VAL A 111 -36.268 -10.747 33.236 1.00 61.14 O0 +ATOM 1491 CB VAL A 111 -38.716 -12.427 34.084 1.00 79.37 C0 +ATOM 1492 CG1 VAL A 111 -39.758 -12.013 33.052 1.00 78.95 C0 +ATOM 1493 CG2 VAL A 111 -39.244 -13.553 34.968 1.00 74.93 C0 +ATOM 1494 H VAL A 111 -36.207 -12.740 35.194 1.00 65.65 H0 +ATOM 1495 HA VAL A 111 -37.601 -13.565 32.788 1.00 66.10 H0 +ATOM 1496 HB VAL A 111 -38.516 -11.653 34.667 1.00 79.37 H0 +ATOM 1497 HG11 VAL A 111 -39.425 -11.255 32.541 1.00 78.95 H0 +ATOM 1498 HG12 VAL A 111 -40.582 -11.763 33.505 1.00 78.95 H0 +ATOM 1499 HG13 VAL A 111 -39.933 -12.757 32.450 1.00 78.95 H0 +ATOM 1500 HG21 VAL A 111 -39.409 -14.343 34.424 1.00 74.93 H0 +ATOM 1501 HG22 VAL A 111 -40.073 -13.271 35.392 1.00 74.93 H0 +ATOM 1502 HG23 VAL A 111 -38.586 -13.764 35.653 1.00 74.93 H0 +ATOM 1503 N TYR A 112 -36.860 -11.805 31.281 1.00 63.97 N0 +ATOM 1504 CA TYR A 112 -36.371 -10.802 30.312 1.00 60.86 C0 +ATOM 1505 C TYR A 112 -37.590 -10.077 29.756 1.00 62.93 C0 +ATOM 1506 O TYR A 112 -38.668 -10.723 29.529 1.00 57.36 O0 +ATOM 1507 CB TYR A 112 -35.521 -11.470 29.224 1.00 60.97 C0 +ATOM 1508 CG TYR A 112 -34.173 -11.958 29.700 1.00 61.76 C0 +ATOM 1509 CD1 TYR A 112 -34.074 -13.067 30.522 1.00 59.72 C0 +ATOM 1510 CD2 TYR A 112 -32.994 -11.319 29.347 1.00 62.77 C0 +ATOM 1511 CE1 TYR A 112 -32.851 -13.512 30.990 1.00 60.14 C0 +ATOM 1512 CE2 TYR A 112 -31.759 -11.755 29.806 1.00 59.23 C0 +ATOM 1513 CZ TYR A 112 -31.691 -12.845 30.652 1.00 57.55 C0 +ATOM 1514 OH TYR A 112 -30.497 -13.337 31.090 1.00 55.55 O0 +ATOM 1515 H TYR A 112 -37.266 -12.664 30.938 1.00 63.97 H0 +ATOM 1516 HA TYR A 112 -35.792 -10.155 30.791 1.00 60.86 H0 +ATOM 1517 HB2 TYR A 112 -36.025 -12.227 28.858 1.00 60.97 H0 +ATOM 1518 HB3 TYR A 112 -35.390 -10.828 28.495 1.00 60.97 H0 +ATOM 1519 HD1 TYR A 112 -34.859 -13.519 30.784 1.00 59.72 H0 +ATOM 1520 HD2 TYR A 112 -33.035 -10.567 28.779 1.00 62.77 H0 +ATOM 1521 HE1 TYR A 112 -32.805 -14.270 31.549 1.00 60.14 H0 +ATOM 1522 HE2 TYR A 112 -30.972 -11.292 29.569 1.00 59.23 H0 +ATOM 1523 HH TYR A 112 -30.624 -14.048 31.553 0.00 55.55 H0 +ATOM 1524 N ARG A 113 -37.441 -8.769 29.551 1.00 65.81 N0 +ATOM 1525 CA ARG A 113 -38.451 -7.982 28.801 1.00 67.06 C0 +ATOM 1526 C ARG A 113 -37.753 -7.363 27.591 1.00 58.03 C0 +ATOM 1527 O ARG A 113 -36.678 -6.735 27.743 1.00 65.54 O0 +ATOM 1528 CB ARG A 113 -39.094 -6.923 29.698 1.00 76.10 C0 +ATOM 1529 CG ARG A 113 -39.644 -7.456 31.011 1.00 86.25 C0 +ATOM 1530 CD ARG A 113 -40.241 -6.338 31.850 1.00 95.85 C0 +ATOM 1531 NE ARG A 113 -39.310 -5.222 31.960 1.00 95.19 N0 +ATOM 1532 CZ ARG A 113 -38.295 -5.171 32.817 1.00 92.71 C0 +ATOM 1533 NH1 ARG A 113 -37.493 -4.118 32.829 1.00 99.23 N0 +ATOM 1534 NH2 ARG A 113 -38.079 -6.169 33.656 1.00 89.35 N0 +ATOM 1535 H ARG A 113 -36.623 -8.301 29.914 1.00 65.81 H0 +ATOM 1536 HA ARG A 113 -39.162 -8.596 28.494 1.00 67.06 H0 +ATOM 1537 HB2 ARG A 113 -38.419 -6.229 29.899 1.00 76.10 H0 +ATOM 1538 HB3 ARG A 113 -39.832 -6.494 29.199 1.00 76.10 H0 +ATOM 1539 HG2 ARG A 113 -40.337 -8.135 30.822 1.00 86.25 H0 +ATOM 1540 HG3 ARG A 113 -38.916 -7.896 31.515 1.00 86.25 H0 +ATOM 1541 HD2 ARG A 113 -41.086 -6.035 31.434 1.00 95.85 H0 +ATOM 1542 HD3 ARG A 113 -40.459 -6.687 32.749 1.00 95.85 H0 +ATOM 1543 HE ARG A 113 -39.429 -4.520 31.412 1.00 95.19 H0 +ATOM 1544 HH11 ARG A 113 -37.637 -3.439 32.257 1.00 99.23 H0 +ATOM 1545 HH12 ARG A 113 -36.807 -4.085 33.409 1.00 99.23 H0 +ATOM 1546 HH21 ARG A 113 -38.621 -6.886 33.647 1.00 89.35 H0 +ATOM 1547 HH22 ARG A 113 -37.391 -6.128 34.233 1.00 89.35 H0 +ATOM 1548 N CYS A 114 -38.290 -7.597 26.411 1.00 63.29 N0 +ATOM 1549 CA CYS A 114 -37.957 -6.771 25.234 1.00 77.29 C0 +ATOM 1550 C CYS A 114 -39.046 -5.707 25.086 1.00 79.88 C0 +ATOM 1551 O CYS A 114 -40.233 -5.987 25.334 1.00 70.48 O0 +ATOM 1552 CB CYS A 114 -37.915 -7.585 23.969 1.00 81.83 C0 +ATOM 1553 SG CYS A 114 -39.589 -8.096 23.579 1.00102.10 S0 +ATOM 1554 H CYS A 114 -38.945 -8.359 26.308 1.00 63.29 H0 +ATOM 1555 HA CYS A 114 -37.088 -6.330 25.406 1.00 77.29 H0 +ATOM 1556 HB2 CYS A 114 -37.529 -7.035 23.243 1.00 81.83 H0 +ATOM 1557 HB3 CYS A 114 -37.324 -8.366 24.106 1.00 81.83 H0 +ATOM 1558 N MET A 115 -38.641 -4.502 24.747 1.00 70.48 N0 +ATOM 1559 CA MET A 115 -39.587 -3.384 24.592 1.00 68.25 C0 +ATOM 1560 C MET A 115 -39.316 -2.773 23.222 1.00 62.70 C0 +ATOM 1561 O MET A 115 -38.140 -2.477 22.934 1.00 59.48 O0 +ATOM 1562 CB MET A 115 -39.377 -2.391 25.733 1.00 67.72 C0 +ATOM 1563 CG MET A 115 -40.070 -2.841 27.008 1.00 76.21 C0 +ATOM 1564 SD MET A 115 -38.950 -3.034 28.369 1.00 83.58 S0 +ATOM 1565 CE MET A 115 -38.456 -1.330 28.600 1.00 81.72 C0 +ATOM 1566 H MET A 115 -37.657 -4.340 24.589 1.00 70.48 H0 +ATOM 1567 HA MET A 115 -40.503 -3.743 24.627 1.00 68.25 H0 +ATOM 1568 HB2 MET A 115 -38.417 -2.297 25.893 1.00 67.72 H0 +ATOM 1569 HB3 MET A 115 -39.724 -1.519 25.457 1.00 67.72 H0 +ATOM 1570 HG2 MET A 115 -40.753 -2.182 27.254 1.00 76.21 H0 +ATOM 1571 HG3 MET A 115 -40.519 -3.698 26.846 1.00 76.21 H0 +ATOM 1572 HE1 MET A 115 -37.831 -1.274 29.326 1.00 81.72 H0 +ATOM 1573 HE2 MET A 115 -38.043 -1.005 27.796 1.00 81.72 H0 +ATOM 1574 HE3 MET A 115 -39.233 -0.795 28.802 1.00 81.72 H0 +ATOM 1575 N ILE A 116 -40.340 -2.686 22.378 1.00 58.87 N0 +ATOM 1576 CA ILE A 116 -40.164 -2.100 21.023 1.00 65.73 C0 +ATOM 1577 C ILE A 116 -41.151 -0.953 20.813 1.00 66.68 C0 +ATOM 1578 O ILE A 116 -42.349 -1.117 21.142 1.00 62.40 O0 +ATOM 1579 CB ILE A 116 -40.273 -3.212 19.973 1.00 70.04 C0 +ATOM 1580 CG1 ILE A 116 -39.472 -4.427 20.471 1.00 73.53 C0 +ATOM 1581 CG2 ILE A 116 -39.826 -2.711 18.602 1.00 69.39 C0 +ATOM 1582 CD1 ILE A 116 -39.022 -5.375 19.413 1.00 66.83 C0 +ATOM 1583 H ILE A 116 -41.252 -3.021 22.655 1.00 58.87 H0 +ATOM 1584 HA ILE A 116 -39.263 -1.735 20.961 1.00 65.73 H0 +ATOM 1585 HB ILE A 116 -41.228 -3.461 19.903 1.00 70.04 H0 +ATOM 1586 HG12 ILE A 116 -38.676 -4.106 20.947 1.00 73.53 H0 +ATOM 1587 HG13 ILE A 116 -40.023 -4.927 21.110 1.00 73.53 H0 +ATOM 1588 HG21 ILE A 116 -40.390 -1.968 18.325 1.00 69.39 H0 +ATOM 1589 HG22 ILE A 116 -39.904 -3.429 17.950 1.00 69.39 H0 +ATOM 1590 HG23 ILE A 116 -38.900 -2.415 18.647 1.00 69.39 H0 +ATOM 1591 HD11 ILE A 116 -39.796 -5.731 18.944 1.00 66.83 H0 +ATOM 1592 HD12 ILE A 116 -38.527 -6.107 19.820 1.00 66.83 H0 +ATOM 1593 HD13 ILE A 116 -38.448 -4.909 18.781 1.00 66.83 H0 +ATOM 1594 N SER A 117 -40.639 0.117 20.199 1.00 67.64 N0 +ATOM 1595 CA SER A 117 -41.468 1.249 19.737 1.00 67.71 C0 +ATOM 1596 C SER A 117 -41.221 1.370 18.233 1.00 63.56 C0 +ATOM 1597 O SER A 117 -40.079 1.632 17.860 1.00 61.06 O0 +ATOM 1598 CB SER A 117 -41.116 2.514 20.420 1.00 67.94 C0 +ATOM 1599 OG SER A 117 -41.913 3.580 19.934 1.00 74.38 O0 +ATOM 1600 H SER A 117 -39.641 0.144 20.049 1.00 67.64 H0 +ATOM 1601 HA SER A 117 -42.416 1.024 19.906 1.00 67.71 H0 +ATOM 1602 HB2 SER A 117 -41.259 2.411 21.393 1.00 67.94 H0 +ATOM 1603 HB3 SER A 117 -40.161 2.716 20.262 1.00 67.94 H0 +ATOM 1604 HG SER A 117 -41.693 4.282 20.337 0.00 74.38 H0 +ATOM 1605 N TYR A 118 -42.245 1.140 17.418 1.00 68.00 N0 +ATOM 1606 CA TYR A 118 -42.153 1.247 15.940 1.00 80.36 C0 +ATOM 1607 C TYR A 118 -43.575 1.379 15.385 1.00 81.32 C0 +ATOM 1608 O TYR A 118 -44.159 0.358 15.031 1.00 81.86 O0 +ATOM 1609 CB TYR A 118 -41.442 0.023 15.371 1.00 84.34 C0 +ATOM 1610 CG TYR A 118 -41.125 0.082 13.902 1.00 89.13 C0 +ATOM 1611 CD1 TYR A 118 -39.971 0.691 13.446 1.00 92.54 C0 +ATOM 1612 CD2 TYR A 118 -41.973 -0.489 12.972 1.00 98.05 C0 +ATOM 1613 CE1 TYR A 118 -39.670 0.740 12.098 1.00 94.17 C0 +ATOM 1614 CE2 TYR A 118 -41.693 -0.440 11.620 1.00103.54 C0 +ATOM 1615 CZ TYR A 118 -40.538 0.176 11.183 1.00100.91 C0 +ATOM 1616 OH TYR A 118 -40.273 0.225 9.851 1.00105.19 O0 +ATOM 1617 H TYR A 118 -43.125 0.880 17.839 1.00 68.00 H0 +ATOM 1618 HA TYR A 118 -41.639 2.063 15.714 1.00 80.36 H0 +ATOM 1619 HB2 TYR A 118 -40.605 -0.106 15.864 1.00 84.34 H0 +ATOM 1620 HB3 TYR A 118 -42.001 -0.765 15.536 1.00 84.34 H0 +ATOM 1621 HD1 TYR A 118 -39.375 1.075 14.068 1.00 92.54 H0 +ATOM 1622 HD2 TYR A 118 -42.759 -0.921 13.264 1.00 98.05 H0 +ATOM 1623 HE1 TYR A 118 -38.878 1.160 11.804 1.00 94.17 H0 +ATOM 1624 HE2 TYR A 118 -42.286 -0.825 10.997 1.00103.54 H0 +ATOM 1625 HH TYR A 118 -39.532 0.636 9.714 0.00105.19 H0 +ATOM 1626 N GLY A 119 -44.116 2.594 15.318 1.00 73.38 N0 +ATOM 1627 CA GLY A 119 -45.521 2.777 14.903 1.00 75.74 C0 +ATOM 1628 C GLY A 119 -46.391 2.275 16.013 1.00 75.48 C0 +ATOM 1629 O GLY A 119 -47.439 1.697 15.725 1.00 74.53 O0 +ATOM 1630 H GLY A 119 -43.562 3.405 15.553 1.00 73.38 H0 +ATOM 1631 HA2 GLY A 119 -45.682 3.737 14.722 1.00 75.74 H0 +ATOM 1632 HA3 GLY A 119 -45.678 2.275 14.064 1.00 75.74 H0 +ATOM 1633 N GLY A 120 -46.013 2.590 17.236 1.00 72.29 N0 +ATOM 1634 CA GLY A 120 -46.651 1.975 18.410 1.00 79.04 C0 +ATOM 1635 C GLY A 120 -45.627 1.230 19.246 1.00 77.28 C0 +ATOM 1636 O GLY A 120 -44.487 1.020 18.769 1.00 69.13 O0 +ATOM 1637 H GLY A 120 -45.274 3.264 17.374 1.00 72.29 H0 +ATOM 1638 HA2 GLY A 120 -47.080 2.683 18.953 1.00 79.04 H0 +ATOM 1639 HA3 GLY A 120 -47.357 1.351 18.105 1.00 79.04 H0 +ATOM 1640 N ALA A 121 -46.038 0.834 20.447 1.00 79.07 N0 +ATOM 1641 CA ALA A 121 -45.156 0.398 21.548 1.00 77.99 C0 +ATOM 1642 C ALA A 121 -45.799 -0.758 22.314 1.00 86.04 C0 +ATOM 1643 O ALA A 121 -46.917 -0.562 22.840 1.00 78.13 O0 +ATOM 1644 CB ALA A 121 -44.885 1.560 22.466 1.00 80.65 C0 +ATOM 1645 H ALA A 121 -47.038 0.842 20.591 1.00 79.07 H0 +ATOM 1646 HA ALA A 121 -44.307 0.078 21.161 1.00 77.99 H0 +ATOM 1647 HB1 ALA A 121 -44.305 1.274 23.189 1.00 80.65 H0 +ATOM 1648 HB2 ALA A 121 -44.453 2.272 21.969 1.00 80.65 H0 +ATOM 1649 HB3 ALA A 121 -45.723 1.886 22.834 1.00 80.65 H0 +ATOM 1650 N ASP A 122 -45.085 -1.889 22.389 1.00 86.89 N0 +ATOM 1651 CA ASP A 122 -45.459 -3.092 23.173 1.00 75.99 C0 +ATOM 1652 C ASP A 122 -44.198 -3.720 23.759 1.00 82.79 C0 +ATOM 1653 O ASP A 122 -43.096 -3.423 23.258 1.00 79.20 O0 +ATOM 1654 CB ASP A 122 -46.133 -4.150 22.307 1.00 69.32 C0 +ATOM 1655 CG ASP A 122 -47.078 -5.073 23.055 1.00 69.08 C0 +ATOM 1656 OD1 ASP A 122 -47.404 -4.774 24.214 1.00 70.66 O0 +ATOM 1657 OD2 ASP A 122 -47.519 -6.069 22.446 1.00 75.91 O0 +ATOM 1658 H ASP A 122 -44.226 -1.895 21.858 1.00 86.89 H0 +ATOM 1659 HA ASP A 122 -46.049 -2.813 23.912 1.00 75.99 H0 +ATOM 1660 HB2 ASP A 122 -46.657 -3.697 21.615 1.00 69.32 H0 +ATOM 1661 HB3 ASP A 122 -45.438 -4.711 21.905 1.00 69.32 H0 +ATOM 1662 N TYR A 123 -44.389 -4.584 24.756 1.00 78.52 N0 +ATOM 1663 CA TYR A 123 -43.339 -5.368 25.445 1.00 75.04 C0 +ATOM 1664 C TYR A 123 -43.813 -6.817 25.609 1.00 78.84 C0 +ATOM 1665 O TYR A 123 -45.032 -7.107 25.655 1.00 78.67 O0 +ATOM 1666 CB TYR A 123 -43.000 -4.726 26.793 1.00 85.10 C0 +ATOM 1667 CG TYR A 123 -44.107 -4.737 27.820 1.00 85.35 C0 +ATOM 1668 CD1 TYR A 123 -45.104 -3.771 27.818 1.00 86.51 C0 +ATOM 1669 CD2 TYR A 123 -44.136 -5.688 28.822 1.00 89.23 C0 +ATOM 1670 CE1 TYR A 123 -46.109 -3.761 28.772 1.00 98.43 C0 +ATOM 1671 CE2 TYR A 123 -45.137 -5.698 29.780 1.00 92.29 C0 +ATOM 1672 CZ TYR A 123 -46.131 -4.737 29.752 1.00100.86 C0 +ATOM 1673 OH TYR A 123 -47.120 -4.742 30.691 1.00111.30 O0 +ATOM 1674 H TYR A 123 -45.351 -4.690 25.044 1.00 78.52 H0 +ATOM 1675 HA TYR A 123 -42.523 -5.366 24.883 1.00 75.04 H0 +ATOM 1676 HB2 TYR A 123 -42.224 -5.190 27.171 1.00 85.10 H0 +ATOM 1677 HB3 TYR A 123 -42.734 -3.796 26.635 1.00 85.10 H0 +ATOM 1678 HD1 TYR A 123 -45.089 -3.094 27.162 1.00 86.51 H0 +ATOM 1679 HD2 TYR A 123 -43.460 -6.345 28.855 1.00 89.23 H0 +ATOM 1680 HE1 TYR A 123 -46.776 -3.095 28.751 1.00 98.43 H0 +ATOM 1681 HE2 TYR A 123 -45.146 -6.366 30.445 1.00 92.29 H0 +ATOM 1682 HH TYR A 123 -47.657 -4.087 30.555 0.00111.30 H0 +ATOM 1683 N LYS A 124 -42.858 -7.732 25.708 1.00 76.35 N0 +ATOM 1684 CA LYS A 124 -43.144 -9.131 26.118 1.00 75.28 C0 +ATOM 1685 C LYS A 124 -42.124 -9.580 27.163 1.00 66.20 C0 +ATOM 1686 O LYS A 124 -40.993 -9.040 27.179 1.00 67.05 O0 +ATOM 1687 CB LYS A 124 -43.190 -10.040 24.893 1.00 72.83 C0 +ATOM 1688 CG LYS A 124 -44.516 -10.041 24.144 1.00 74.24 C0 +ATOM 1689 CD LYS A 124 -45.736 -10.382 24.987 1.00 74.04 C0 +ATOM 1690 CE LYS A 124 -47.017 -10.369 24.177 1.00 86.34 C0 +ATOM 1691 NZ LYS A 124 -47.388 -8.994 23.754 1.00 91.70 N0 +ATOM 1692 H LYS A 124 -41.907 -7.465 25.497 1.00 76.35 H0 +ATOM 1693 HA LYS A 124 -44.042 -9.161 26.522 1.00 75.28 H0 +ATOM 1694 HB2 LYS A 124 -42.478 -9.769 24.276 1.00 72.83 H0 +ATOM 1695 HB3 LYS A 124 -42.985 -10.956 25.176 1.00 72.83 H0 +ATOM 1696 HG2 LYS A 124 -44.657 -9.151 23.757 1.00 74.24 H0 +ATOM 1697 HG3 LYS A 124 -44.463 -10.695 23.414 1.00 74.24 H0 +ATOM 1698 HD2 LYS A 124 -45.612 -11.271 25.384 1.00 74.04 H0 +ATOM 1699 HD3 LYS A 124 -45.810 -9.734 25.720 1.00 74.04 H0 +ATOM 1700 HE2 LYS A 124 -46.908 -10.926 23.383 1.00 86.34 H0 +ATOM 1701 HE3 LYS A 124 -47.744 -10.744 24.709 1.00 86.34 H0 +ATOM 1702 HZ1 LYS A 124 -47.508 -8.470 24.485 1.00 91.70 H0 +ATOM 1703 HZ2 LYS A 124 -48.155 -9.018 23.270 1.00 91.70 H0 +ATOM 1704 HZ3 LYS A 124 -46.727 -8.641 23.243 1.00 91.70 H0 +ATOM 1705 N ARG A 125 -42.573 -10.467 28.053 1.00 78.29 N0 +ATOM 1706 CA ARG A 125 -41.752 -11.134 29.095 1.00 78.43 C0 +ATOM 1707 C ARG A 125 -41.251 -12.457 28.514 1.00 72.96 C0 +ATOM 1708 O ARG A 125 -42.034 -13.122 27.814 1.00 67.90 O0 +ATOM 1709 CB ARG A 125 -42.572 -11.447 30.348 1.00 89.28 C0 +ATOM 1710 CG ARG A 125 -43.391 -10.287 30.885 1.00 94.52 C0 +ATOM 1711 CD ARG A 125 -43.471 -10.287 32.400 1.00 97.15 C0 +ATOM 1712 NE ARG A 125 -43.262 -8.930 32.883 1.00109.23 N0 +ATOM 1713 CZ ARG A 125 -44.168 -7.947 32.834 1.00106.67 C0 +ATOM 1714 NH1 ARG A 125 -45.378 -8.163 32.337 1.00 95.25 N0 +ATOM 1715 NH2 ARG A 125 -43.851 -6.742 33.287 1.00 98.00 N0 +ATOM 1716 H ARG A 125 -43.557 -10.683 27.989 1.00 78.29 H0 +ATOM 1717 HA ARG A 125 -40.981 -10.552 29.307 1.00 78.43 H0 +ATOM 1718 HB2 ARG A 125 -43.187 -12.193 30.143 1.00 89.28 H0 +ATOM 1719 HB3 ARG A 125 -41.955 -11.748 31.060 1.00 89.28 H0 +ATOM 1720 HG2 ARG A 125 -42.987 -9.436 30.585 1.00 94.52 H0 +ATOM 1721 HG3 ARG A 125 -44.307 -10.336 30.515 1.00 94.52 H0 +ATOM 1722 HD2 ARG A 125 -44.356 -10.630 32.679 1.00 97.15 H0 +ATOM 1723 HD3 ARG A 125 -42.785 -10.901 32.762 1.00 97.15 H0 +ATOM 1724 HE ARG A 125 -42.463 -8.730 33.244 1.00109.23 H0 +ATOM 1725 HH11 ARG A 125 -45.596 -8.979 32.028 1.00 95.25 H0 +ATOM 1726 HH12 ARG A 125 -45.977 -7.493 32.310 1.00 95.25 H0 +ATOM 1727 HH21 ARG A 125 -43.031 -6.592 33.624 1.00 98.00 H0 +ATOM 1728 HH22 ARG A 125 -44.457 -6.079 33.256 1.00 98.00 H0 +ATOM 1729 N ILE A 126 -39.997 -12.818 28.770 1.00 65.65 N0 +ATOM 1730 CA ILE A 126 -39.486 -14.193 28.478 1.00 63.51 C0 +ATOM 1731 C ILE A 126 -38.773 -14.730 29.713 1.00 57.91 C0 +ATOM 1732 O ILE A 126 -37.933 -13.963 30.288 1.00 55.67 O0 +ATOM 1733 CB ILE A 126 -38.522 -14.177 27.295 1.00 62.09 C0 +ATOM 1734 CG1 ILE A 126 -39.190 -13.633 26.037 1.00 62.86 C0 +ATOM 1735 CG2 ILE A 126 -37.962 -15.566 27.086 1.00 67.92 C0 +ATOM 1736 CD1 ILE A 126 -38.225 -13.301 24.956 1.00 63.96 C0 +ATOM 1737 H ILE A 126 -39.372 -12.136 29.176 1.00 65.65 H0 +ATOM 1738 HA ILE A 126 -40.247 -14.770 28.287 1.00 63.51 H0 +ATOM 1739 HB ILE A 126 -37.774 -13.574 27.530 1.00 62.09 H0 +ATOM 1740 HG12 ILE A 126 -39.826 -14.302 25.704 1.00 62.86 H0 +ATOM 1741 HG13 ILE A 126 -39.696 -12.827 26.273 1.00 62.86 H0 +ATOM 1742 HG21 ILE A 126 -37.486 -15.851 27.885 1.00 67.92 H0 +ATOM 1743 HG22 ILE A 126 -37.344 -15.560 26.334 1.00 67.92 H0 +ATOM 1744 HG23 ILE A 126 -38.688 -16.188 26.904 1.00 67.92 H0 +ATOM 1745 HD11 ILE A 126 -37.602 -12.624 25.272 1.00 63.96 H0 +ATOM 1746 HD12 ILE A 126 -38.707 -12.960 24.182 1.00 63.96 H0 +ATOM 1747 HD13 ILE A 126 -37.732 -14.100 24.703 1.00 63.96 H0 +ATOM 1748 N THR A 127 -39.081 -15.970 30.099 1.00 55.43 N0 +ATOM 1749 CA THR A 127 -38.412 -16.636 31.247 1.00 58.66 C0 +ATOM 1750 C THR A 127 -37.209 -17.407 30.694 1.00 52.28 C0 +ATOM 1751 O THR A 127 -37.386 -18.151 29.733 1.00 54.81 O0 +ATOM 1752 CB THR A 127 -39.387 -17.495 32.059 1.00 65.53 C0 +ATOM 1753 OG1 THR A 127 -40.464 -16.692 32.548 1.00 74.00 O0 +ATOM 1754 CG2 THR A 127 -38.725 -18.136 33.258 1.00 67.18 C0 +ATOM 1755 H THR A 127 -39.796 -16.469 29.588 1.00 55.43 H0 +ATOM 1756 HA THR A 127 -38.097 -15.933 31.867 1.00 58.66 H0 +ATOM 1757 HB THR A 127 -39.742 -18.204 31.468 1.00 65.53 H0 +ATOM 1758 HG1 THR A 127 -40.993 -17.170 32.991 0.00 74.00 H0 +ATOM 1759 HG21 THR A 127 -37.985 -18.718 32.956 1.00 67.18 H0 +ATOM 1760 HG22 THR A 127 -39.388 -18.680 33.751 1.00 67.18 H0 +ATOM 1761 HG23 THR A 127 -38.368 -17.433 33.854 1.00 67.18 H0 +ATOM 1762 N VAL A 128 -36.021 -17.131 31.218 1.00 55.48 N0 +ATOM 1763 CA VAL A 128 -34.805 -17.958 30.990 1.00 59.78 C0 +ATOM 1764 C VAL A 128 -34.476 -18.758 32.253 1.00 61.08 C0 +ATOM 1765 O VAL A 128 -34.266 -18.123 33.320 1.00 59.14 O0 +ATOM 1766 CB VAL A 128 -33.600 -17.100 30.605 1.00 56.97 C0 +ATOM 1767 CG1 VAL A 128 -32.364 -17.976 30.419 1.00 54.36 C0 +ATOM 1768 CG2 VAL A 128 -33.908 -16.293 29.362 1.00 57.33 C0 +ATOM 1769 H VAL A 128 -35.956 -16.310 31.802 1.00 55.48 H0 +ATOM 1770 HA VAL A 128 -34.993 -18.590 30.273 1.00 59.78 H0 +ATOM 1771 HB VAL A 128 -33.437 -16.471 31.351 1.00 56.97 H0 +ATOM 1772 HG11 VAL A 128 -32.169 -18.443 31.250 1.00 54.36 H0 +ATOM 1773 HG12 VAL A 128 -31.605 -17.419 30.174 1.00 54.36 H0 +ATOM 1774 HG13 VAL A 128 -32.529 -18.626 29.714 1.00 54.36 H0 +ATOM 1775 HG21 VAL A 128 -34.118 -16.895 28.627 1.00 57.33 H0 +ATOM 1776 HG22 VAL A 128 -33.135 -15.751 29.127 1.00 57.33 H0 +ATOM 1777 HG23 VAL A 128 -34.670 -15.713 29.532 1.00 57.33 H0 +ATOM 1778 N LYS A 129 -34.385 -20.086 32.106 1.00 60.91 N0 +ATOM 1779 CA LYS A 129 -33.847 -21.014 33.140 1.00 63.99 C0 +ATOM 1780 C LYS A 129 -32.450 -21.470 32.695 1.00 64.94 C0 +ATOM 1781 O LYS A 129 -32.220 -21.666 31.472 1.00 56.93 O0 +ATOM 1782 CB LYS A 129 -34.755 -22.225 33.350 1.00 63.89 C0 +ATOM 1783 CG LYS A 129 -36.236 -21.934 33.579 1.00 73.73 C0 +ATOM 1784 CD LYS A 129 -36.607 -21.568 34.994 1.00 85.30 C0 +ATOM 1785 CE LYS A 129 -37.426 -22.633 35.694 1.00 86.84 C0 +ATOM 1786 NZ LYS A 129 -38.835 -22.668 35.234 1.00 73.40 N0 +ATOM 1787 H LYS A 129 -34.709 -20.463 31.227 1.00 60.91 H0 +ATOM 1788 HA LYS A 129 -33.774 -20.524 33.991 1.00 63.99 H0 +ATOM 1789 HB2 LYS A 129 -34.678 -22.811 32.568 1.00 63.89 H0 +ATOM 1790 HB3 LYS A 129 -34.423 -22.734 34.119 1.00 63.89 H0 +ATOM 1791 HG2 LYS A 129 -36.502 -21.191 32.997 1.00 73.73 H0 +ATOM 1792 HG3 LYS A 129 -36.753 -22.729 33.329 1.00 73.73 H0 +ATOM 1793 HD2 LYS A 129 -35.787 -21.411 35.509 1.00 85.30 H0 +ATOM 1794 HD3 LYS A 129 -37.119 -20.731 34.984 1.00 85.30 H0 +ATOM 1795 HE2 LYS A 129 -37.027 -23.509 35.535 1.00 86.84 H0 +ATOM 1796 HE3 LYS A 129 -37.419 -22.471 36.656 1.00 86.84 H0 +ATOM 1797 HZ1 LYS A 129 -39.229 -21.867 35.392 1.00 73.40 H0 +ATOM 1798 HZ2 LYS A 129 -39.286 -23.319 35.676 1.00 73.40 H0 +ATOM 1799 HZ3 LYS A 129 -38.863 -22.841 34.344 1.00 73.40 H0 +ATOM 1800 N VAL A 130 -31.544 -21.641 33.652 1.00 57.41 N0 +ATOM 1801 CA VAL A 130 -30.152 -22.088 33.363 1.00 61.52 C0 +ATOM 1802 C VAL A 130 -29.937 -23.457 33.989 1.00 57.13 C0 +ATOM 1803 O VAL A 130 -30.208 -23.614 35.185 1.00 64.54 O0 +ATOM 1804 CB VAL A 130 -29.107 -21.087 33.854 1.00 57.19 C0 +ATOM 1805 CG1 VAL A 130 -27.713 -21.639 33.633 1.00 61.76 C0 +ATOM 1806 CG2 VAL A 130 -29.291 -19.740 33.153 1.00 62.94 C0 +ATOM 1807 H VAL A 130 -31.815 -21.460 34.608 1.00 57.41 H0 +ATOM 1808 HA VAL A 130 -30.049 -22.169 32.398 1.00 61.52 H0 +ATOM 1809 HB VAL A 130 -29.259 -20.956 34.822 1.00 57.19 H0 +ATOM 1810 HG11 VAL A 130 -27.612 -22.473 34.124 1.00 61.76 H0 +ATOM 1811 HG12 VAL A 130 -27.055 -20.995 33.948 1.00 61.76 H0 +ATOM 1812 HG13 VAL A 130 -27.575 -21.804 32.684 1.00 61.76 H0 +ATOM 1813 HG21 VAL A 130 -29.191 -19.857 32.192 1.00 62.94 H0 +ATOM 1814 HG22 VAL A 130 -28.621 -19.112 33.474 1.00 62.94 H0 +ATOM 1815 HG23 VAL A 130 -30.179 -19.392 33.346 1.00 62.94 H0 +ATOM 1816 N ASN A 131 -29.525 -24.415 33.174 1.00 56.68 N0 +ATOM 1817 CA ASN A 131 -29.259 -25.799 33.613 1.00 48.92 C0 +ATOM 1818 C ASN A 131 -27.753 -25.942 33.759 1.00 55.42 C0 +ATOM 1819 O ASN A 131 -27.033 -25.615 32.789 1.00 52.59 O0 +ATOM 1820 CB ASN A 131 -29.812 -26.792 32.615 1.00 58.03 C0 +ATOM 1821 CG ASN A 131 -29.570 -28.195 33.106 1.00 62.45 C0 +ATOM 1822 OD1 ASN A 131 -29.901 -28.524 34.245 1.00 61.90 O0 +ATOM 1823 ND2 ASN A 131 -28.931 -28.993 32.281 1.00 59.54 N0 +ATOM 1824 H ASN A 131 -29.390 -24.172 32.203 1.00 56.68 H0 +ATOM 1825 HA ASN A 131 -29.694 -25.939 34.487 1.00 48.92 H0 +ATOM 1826 HB2 ASN A 131 -30.770 -26.626 32.499 1.00 58.03 H0 +ATOM 1827 HB3 ASN A 131 -29.377 -26.648 31.750 1.00 58.03 H0 +ATOM 1828 HD21 ASN A 131 -28.761 -29.828 32.516 1.00 59.54 H0 +ATOM 1829 HD22 ASN A 131 -28.671 -28.695 31.490 1.00 59.54 H0 +ATOM 1830 N ALA A 132 -27.280 -26.331 34.943 1.00 53.66 N0 +ATOM 1831 CA ALA A 132 -25.837 -26.373 35.258 1.00 51.40 C0 +ATOM 1832 C ALA A 132 -25.445 -27.788 35.649 1.00 54.19 C0 +ATOM 1833 O ALA A 132 -25.346 -28.067 36.840 1.00 51.88 O0 +ATOM 1834 CB ALA A 132 -25.512 -25.415 36.366 1.00 57.64 C0 +ATOM 1835 H ALA A 132 -27.947 -26.607 35.650 1.00 53.66 H0 +ATOM 1836 HA ALA A 132 -25.332 -26.118 34.450 1.00 51.40 H0 +ATOM 1837 HB1 ALA A 132 -24.563 -25.454 36.561 1.00 57.64 H0 +ATOM 1838 HB2 ALA A 132 -25.749 -24.514 36.096 1.00 57.64 H0 +ATOM 1839 HB3 ALA A 132 -26.015 -25.656 37.162 1.00 57.64 H0 +ATOM 1840 N PRO A 133 -25.207 -28.689 34.664 1.00 51.72 N0 +ATOM 1841 CA PRO A 133 -24.909 -30.093 34.929 1.00 49.62 C0 +ATOM 1842 C PRO A 133 -23.462 -30.331 35.407 1.00 49.99 C0 +ATOM 1843 O PRO A 133 -22.614 -29.504 35.193 1.00 44.19 O0 +ATOM 1844 CB PRO A 133 -25.079 -30.767 33.561 1.00 48.02 C0 +ATOM 1845 CG PRO A 133 -24.679 -29.690 32.596 1.00 57.39 C0 +ATOM 1846 CD PRO A 133 -25.135 -28.382 33.225 1.00 53.98 C0 +ATOM 1847 HA PRO A 133 -25.535 -30.437 35.614 1.00 49.62 H0 +ATOM 1848 HB2 PRO A 133 -24.504 -31.557 33.485 1.00 48.02 H0 +ATOM 1849 HB3 PRO A 133 -26.006 -31.054 33.423 1.00 48.02 H0 +ATOM 1850 HG2 PRO A 133 -23.709 -29.688 32.458 1.00 57.39 H0 +ATOM 1851 HG3 PRO A 133 -25.109 -29.824 31.726 1.00 57.39 H0 +ATOM 1852 HD2 PRO A 133 -24.494 -27.664 33.041 1.00 53.98 H0 +ATOM 1853 HD3 PRO A 133 -26.007 -28.109 32.870 1.00 53.98 H0 +ATOM 1854 N TYR A 134 -23.249 -31.460 36.074 1.00 48.98 N0 +ATOM 1855 CA TYR A 134 -21.947 -31.940 36.585 1.00 51.33 C0 +ATOM 1856 C TYR A 134 -21.310 -32.728 35.448 1.00 50.54 C0 +ATOM 1857 O TYR A 134 -21.092 -33.937 35.590 1.00 53.11 O0 +ATOM 1858 CB TYR A 134 -22.155 -32.796 37.842 1.00 50.32 C0 +ATOM 1859 CG TYR A 134 -22.583 -32.020 39.059 1.00 57.23 C0 +ATOM 1860 CD1 TYR A 134 -23.924 -31.773 39.312 1.00 58.84 C0 +ATOM 1861 CD2 TYR A 134 -21.652 -31.519 39.966 1.00 56.32 C0 +ATOM 1862 CE1 TYR A 134 -24.328 -31.050 40.429 1.00 58.70 C0 +ATOM 1863 CE2 TYR A 134 -22.043 -30.814 41.091 1.00 53.87 C0 +ATOM 1864 CZ TYR A 134 -23.385 -30.579 41.325 1.00 56.04 C0 +ATOM 1865 OH TYR A 134 -23.797 -29.858 42.407 1.00 60.26 O0 +ATOM 1866 H TYR A 134 -24.076 -32.019 36.229 1.00 48.98 H0 +ATOM 1867 HA TYR A 134 -21.386 -31.154 36.808 1.00 51.33 H0 +ATOM 1868 HB2 TYR A 134 -22.830 -33.478 37.644 1.00 50.32 H0 +ATOM 1869 HB3 TYR A 134 -21.317 -33.265 38.040 1.00 50.32 H0 +ATOM 1870 HD1 TYR A 134 -24.574 -32.097 38.711 1.00 58.84 H0 +ATOM 1871 HD2 TYR A 134 -20.733 -31.664 39.810 1.00 56.32 H0 +ATOM 1872 HE1 TYR A 134 -25.244 -30.892 40.585 1.00 58.70 H0 +ATOM 1873 HE2 TYR A 134 -21.396 -30.495 41.698 1.00 53.87 H0 +ATOM 1874 HH TYR A 134 -24.651 -29.779 42.399 0.00 60.26 H0 +ATOM 1875 N ASN A 135 -21.147 -32.086 34.301 1.00 43.59 N0 +ATOM 1876 CA ASN A 135 -20.740 -32.777 33.063 1.00 46.28 C0 +ATOM 1877 C ASN A 135 -19.218 -32.786 32.963 1.00 47.60 C0 +ATOM 1878 O ASN A 135 -18.715 -33.376 31.993 1.00 49.14 O0 +ATOM 1879 CB ASN A 135 -21.367 -32.116 31.839 1.00 45.54 C0 +ATOM 1880 CG ASN A 135 -20.735 -30.786 31.520 1.00 49.35 C0 +ATOM 1881 OD1 ASN A 135 -20.686 -29.896 32.366 1.00 49.95 O0 +ATOM 1882 ND2 ASN A 135 -20.219 -30.646 30.312 1.00 53.58 N0 +ATOM 1883 H ASN A 135 -21.308 -31.089 34.278 1.00 43.59 H0 +ATOM 1884 HA ASN A 135 -21.060 -33.709 33.105 1.00 46.28 H0 +ATOM 1885 HB2 ASN A 135 -21.270 -32.715 31.071 1.00 45.54 H0 +ATOM 1886 HB3 ASN A 135 -22.324 -31.991 32.001 1.00 45.54 H0 +ATOM 1887 HD21 ASN A 135 -19.838 -29.883 30.080 1.00 53.58 H0 +ATOM 1888 HD22 ASN A 135 -20.255 -31.315 29.735 1.00 53.58 H0 +ATOM 1889 N LYS A 136 -18.534 -32.029 33.822 1.00 44.48 N0 +ATOM 1890 CA LYS A 136 -17.053 -31.870 33.830 1.00 51.37 C0 +ATOM 1891 C LYS A 136 -16.471 -32.429 35.132 1.00 53.63 C0 +ATOM 1892 O LYS A 136 -16.817 -31.897 36.206 1.00 55.37 O0 +ATOM 1893 CB LYS A 136 -16.652 -30.401 33.713 1.00 47.33 C0 +ATOM 1894 CG LYS A 136 -17.201 -29.706 32.495 1.00 54.96 C0 +ATOM 1895 CD LYS A 136 -16.695 -28.287 32.318 1.00 62.27 C0 +ATOM 1896 CE LYS A 136 -16.983 -27.357 33.475 1.00 63.41 C0 +ATOM 1897 NZ LYS A 136 -18.425 -27.231 33.723 1.00 70.95 N0 +ATOM 1898 H LYS A 136 -19.086 -31.536 34.510 1.00 44.48 H0 +ATOM 1899 HA LYS A 136 -16.680 -32.383 33.077 1.00 51.37 H0 +ATOM 1900 HB2 LYS A 136 -16.955 -29.930 34.517 1.00 47.33 H0 +ATOM 1901 HB3 LYS A 136 -15.674 -30.345 33.703 1.00 47.33 H0 +ATOM 1902 HG2 LYS A 136 -16.955 -30.226 31.700 1.00 54.96 H0 +ATOM 1903 HG3 LYS A 136 -18.179 -29.682 32.563 1.00 54.96 H0 +ATOM 1904 HD2 LYS A 136 -15.723 -28.308 32.183 1.00 62.27 H0 +ATOM 1905 HD3 LYS A 136 -17.101 -27.901 31.513 1.00 62.27 H0 +ATOM 1906 HE2 LYS A 136 -16.550 -27.695 34.282 1.00 63.41 H0 +ATOM 1907 HE3 LYS A 136 -16.614 -26.474 33.284 1.00 63.41 H0 +ATOM 1908 HZ1 LYS A 136 -18.836 -26.903 32.984 1.00 70.95 H0 +ATOM 1909 HZ2 LYS A 136 -18.568 -26.671 34.422 1.00 70.95 H0 +ATOM 1910 HZ3 LYS A 136 -18.775 -28.044 33.919 1.00 70.95 H0 +ATOM 1911 N ILE A 137 -15.626 -33.455 35.042 1.00 53.28 N0 +ATOM 1912 CA ILE A 137 -15.159 -34.221 36.235 1.00 52.15 C0 +ATOM 1913 C ILE A 137 -13.635 -34.276 36.259 1.00 50.10 C0 +ATOM 1914 O ILE A 137 -13.043 -34.905 35.366 1.00 50.83 O0 +ATOM 1915 CB ILE A 137 -15.766 -35.621 36.276 1.00 50.05 C0 +ATOM 1916 CG1 ILE A 137 -17.299 -35.549 36.296 1.00 53.79 C0 +ATOM 1917 CG2 ILE A 137 -15.214 -36.392 37.466 1.00 55.37 C0 +ATOM 1918 CD1 ILE A 137 -17.962 -36.894 36.230 1.00 47.75 C0 +ATOM 1919 H ILE A 137 -15.293 -33.719 34.126 1.00 53.28 H0 +ATOM 1920 HA ILE A 137 -15.454 -33.752 37.036 1.00 52.15 H0 +ATOM 1921 HB ILE A 137 -15.485 -36.090 35.452 1.00 50.05 H0 +ATOM 1922 HG12 ILE A 137 -17.582 -35.094 37.118 1.00 53.79 H0 +ATOM 1923 HG13 ILE A 137 -17.598 -35.008 35.534 1.00 53.79 H0 +ATOM 1924 HG21 ILE A 137 -14.247 -36.468 37.387 1.00 55.37 H0 +ATOM 1925 HG22 ILE A 137 -15.602 -37.284 37.486 1.00 55.37 H0 +ATOM 1926 HG23 ILE A 137 -15.435 -35.924 38.290 1.00 55.37 H0 +ATOM 1927 HD11 ILE A 137 -17.703 -37.345 35.407 1.00 47.75 H0 +ATOM 1928 HD12 ILE A 137 -18.928 -36.782 36.246 1.00 47.75 H0 +ATOM 1929 HD13 ILE A 137 -17.686 -37.431 36.993 1.00 47.75 H0 +ATOM 1930 N ASN A 138 -13.060 -33.646 37.279 1.00 54.29 N0 +ATOM 1931 CA ASN A 138 -11.618 -33.752 37.627 1.00 53.54 C0 +ATOM 1932 C ASN A 138 -11.445 -34.988 38.483 1.00 56.12 C0 +ATOM 1933 O ASN A 138 -12.372 -35.311 39.218 1.00 54.24 O0 +ATOM 1934 CB ASN A 138 -11.136 -32.549 38.395 1.00 51.19 C0 +ATOM 1935 CG ASN A 138 -11.061 -31.316 37.526 1.00 50.87 C0 +ATOM 1936 OD1 ASN A 138 -11.506 -30.241 37.907 1.00 68.04 O0 +ATOM 1937 ND2 ASN A 138 -10.499 -31.461 36.354 1.00 48.79 N0 +ATOM 1938 H ASN A 138 -13.661 -33.061 37.842 1.00 54.29 H0 +ATOM 1939 HA ASN A 138 -11.102 -33.852 36.793 1.00 53.54 H0 +ATOM 1940 HB2 ASN A 138 -11.745 -32.386 39.144 1.00 51.19 H0 +ATOM 1941 HB3 ASN A 138 -10.251 -32.743 38.766 1.00 51.19 H0 +ATOM 1942 HD21 ASN A 138 -10.431 -30.769 35.808 1.00 48.79 H0 +ATOM 1943 HD22 ASN A 138 -10.187 -32.251 36.107 1.00 48.79 H0 +ATOM 1944 N GLN A 139 -10.331 -35.684 38.312 1.00 58.30 N0 +ATOM 1945 CA GLN A 139 -10.069 -36.941 39.046 1.00 57.44 C0 +ATOM 1946 C GLN A 139 -8.621 -36.914 39.529 1.00 64.52 C0 +ATOM 1947 O GLN A 139 -7.819 -36.142 38.967 1.00 58.07 O0 +ATOM 1948 CB GLN A 139 -10.374 -38.155 38.176 1.00 55.30 C0 +ATOM 1949 CG GLN A 139 -9.442 -38.308 36.978 1.00 50.23 C0 +ATOM 1950 CD GLN A 139 -9.615 -39.659 36.339 1.00 55.93 C0 +ATOM 1951 OE1 GLN A 139 -8.808 -40.559 36.558 1.00 62.99 O0 +ATOM 1952 NE2 GLN A 139 -10.712 -39.848 35.615 1.00 59.64 N0 +ATOM 1953 H GLN A 139 -9.641 -35.342 37.659 1.00 58.30 H0 +ATOM 1954 HA GLN A 139 -10.672 -36.980 39.824 1.00 57.44 H0 +ATOM 1955 HB2 GLN A 139 -10.313 -38.960 38.731 1.00 55.30 H0 +ATOM 1956 HB3 GLN A 139 -11.297 -38.084 37.854 1.00 55.30 H0 +ATOM 1957 HG2 GLN A 139 -9.638 -37.603 36.325 1.00 50.23 H0 +ATOM 1958 HG3 GLN A 139 -8.514 -38.196 37.275 1.00 50.23 H0 +ATOM 1959 HE21 GLN A 139 -10.854 -40.627 35.222 1.00 59.64 H0 +ATOM 1960 HE22 GLN A 139 -11.301 -39.195 35.526 1.00 59.64 H0 +ATOM 1961 N ARG A 140 -8.328 -37.699 40.563 1.00 69.82 N0 +ATOM 1962 CA ARG A 140 -6.961 -37.836 41.118 1.00 64.77 C0 +ATOM 1963 C ARG A 140 -6.873 -39.147 41.889 1.00 63.77 C0 +ATOM 1964 O ARG A 140 -7.779 -39.451 42.695 1.00 54.86 O0 +ATOM 1965 CB ARG A 140 -6.605 -36.645 42.001 1.00 73.62 C0 +ATOM 1966 CG ARG A 140 -5.111 -36.554 42.285 1.00 82.40 C0 +ATOM 1967 CD ARG A 140 -4.781 -35.568 43.378 1.00 91.14 C0 +ATOM 1968 NE ARG A 140 -5.532 -35.882 44.587 1.00104.15 N0 +ATOM 1969 CZ ARG A 140 -5.322 -35.329 45.776 1.00112.66 C0 +ATOM 1970 NH1 ARG A 140 -4.365 -34.424 45.944 1.00108.53 N0 +ATOM 1971 NH2 ARG A 140 -6.077 -35.699 46.795 1.00108.11 N0 +ATOM 1972 H ARG A 140 -9.084 -38.222 40.981 1.00 69.82 H0 +ATOM 1973 HA ARG A 140 -6.318 -37.860 40.366 1.00 64.77 H0 +ATOM 1974 HB2 ARG A 140 -6.908 -35.818 41.551 1.00 73.62 H0 +ATOM 1975 HB3 ARG A 140 -7.100 -36.726 42.853 1.00 73.62 H0 +ATOM 1976 HG2 ARG A 140 -4.774 -37.445 42.550 1.00 82.40 H0 +ATOM 1977 HG3 ARG A 140 -4.638 -36.283 41.460 1.00 82.40 H0 +ATOM 1978 HD2 ARG A 140 -3.810 -35.598 43.561 1.00 91.14 H0 +ATOM 1979 HD3 ARG A 140 -4.998 -34.654 43.068 1.00 91.14 H0 +ATOM 1980 HE ARG A 140 -6.187 -36.495 44.528 1.00104.15 H0 +ATOM 1981 HH11 ARG A 140 -3.852 -34.181 45.247 1.00108.53 H0 +ATOM 1982 HH12 ARG A 140 -4.233 -34.057 46.754 1.00108.53 H0 +ATOM 1983 HH21 ARG A 140 -6.720 -36.316 46.675 1.00108.11 H0 +ATOM 1984 HH22 ARG A 140 -5.946 -35.333 47.605 1.00108.11 H0 +ATOM 1985 N ILE A 141 -5.828 -39.908 41.596 1.00 60.28 N0 +ATOM 1986 CA ILE A 141 -5.539 -41.212 42.245 1.00 64.95 C0 +ATOM 1987 C ILE A 141 -4.191 -41.111 42.965 1.00 66.26 C0 +ATOM 1988 O ILE A 141 -3.172 -40.990 42.250 1.00 60.41 O0 +ATOM 1989 CB ILE A 141 -5.538 -42.308 41.180 1.00 63.62 C0 +ATOM 1990 CG1 ILE A 141 -6.873 -42.330 40.436 1.00 69.11 C0 +ATOM 1991 CG2 ILE A 141 -5.199 -43.647 41.816 1.00 65.31 C0 +ATOM 1992 CD1 ILE A 141 -6.848 -43.143 39.177 1.00 72.58 C0 +ATOM 1993 H ILE A 141 -5.200 -39.562 40.884 1.00 60.28 H0 +ATOM 1994 HA ILE A 141 -6.232 -41.386 42.906 1.00 64.95 H0 +ATOM 1995 HB ILE A 141 -4.825 -42.089 40.530 1.00 63.62 H0 +ATOM 1996 HG12 ILE A 141 -7.561 -42.693 41.034 1.00 69.11 H0 +ATOM 1997 HG13 ILE A 141 -7.124 -41.408 40.213 1.00 69.11 H0 +ATOM 1998 HG21 ILE A 141 -4.317 -43.601 42.225 1.00 65.31 H0 +ATOM 1999 HG22 ILE A 141 -5.197 -44.342 41.135 1.00 65.31 H0 +ATOM 2000 HG23 ILE A 141 -5.860 -43.863 42.496 1.00 65.31 H0 +ATOM 2001 HD11 ILE A 141 -6.183 -42.778 38.567 1.00 72.58 H0 +ATOM 2002 HD12 ILE A 141 -7.724 -43.116 38.754 1.00 72.58 H0 +ATOM 2003 HD13 ILE A 141 -6.620 -44.065 39.389 1.00 72.58 H0 +ATOM 2004 N LEU A 142 -4.191 -41.139 44.307 1.00 72.29 N0 +ATOM 2005 CA LEU A 142 -2.961 -41.146 45.161 1.00 72.94 C0 +ATOM 2006 C LEU A 142 -2.890 -42.486 45.885 1.00 74.52 C0 +ATOM 2007 O LEU A 142 -3.952 -42.922 46.383 1.00 67.69 O0 +ATOM 2008 CB LEU A 142 -2.980 -40.003 46.185 1.00 66.43 C0 +ATOM 2009 CG LEU A 142 -2.807 -38.589 45.631 1.00 81.63 C0 +ATOM 2010 CD1 LEU A 142 -2.786 -37.574 46.765 1.00 85.40 C0 +ATOM 2011 CD2 LEU A 142 -1.544 -38.460 44.779 1.00 88.38 C0 +ATOM 2012 H LEU A 142 -5.098 -41.156 44.750 1.00 72.29 H0 +ATOM 2013 HA LEU A 142 -2.174 -41.050 44.576 1.00 72.94 H0 +ATOM 2014 HB2 LEU A 142 -3.830 -40.036 46.667 1.00 66.43 H0 +ATOM 2015 HB3 LEU A 142 -2.267 -40.161 46.835 1.00 66.43 H0 +ATOM 2016 HG LEU A 142 -3.581 -38.391 45.048 1.00 81.63 H0 +ATOM 2017 HD11 LEU A 142 -3.623 -37.621 47.258 1.00 85.40 H0 +ATOM 2018 HD12 LEU A 142 -2.675 -36.680 46.398 1.00 85.40 H0 +ATOM 2019 HD13 LEU A 142 -2.046 -37.772 47.364 1.00 85.40 H0 +ATOM 2020 HD21 LEU A 142 -0.764 -38.673 45.320 1.00 88.38 H0 +ATOM 2021 HD22 LEU A 142 -1.469 -37.549 44.445 1.00 88.38 H0 +ATOM 2022 HD23 LEU A 142 -1.595 -39.077 44.028 1.00 88.38 H0 +ATOM 2023 N VAL A 143 -1.702 -43.107 45.916 1.00 69.92 N0 +ATOM 2024 CA VAL A 143 -1.412 -44.274 46.801 1.00 75.99 C0 +ATOM 2025 C VAL A 143 -1.351 -43.696 48.216 1.00 71.67 C0 +ATOM 2026 O VAL A 143 -0.804 -42.605 48.362 1.00 55.15 O0 +ATOM 2027 CB VAL A 143 -0.115 -45.026 46.422 1.00 85.88 C0 +ATOM 2028 CG1 VAL A 143 -0.026 -45.301 44.928 1.00 98.18 C0 +ATOM 2029 CG2 VAL A 143 1.143 -44.302 46.878 1.00 87.46 C0 +ATOM 2030 H VAL A 143 -0.976 -42.759 45.306 1.00 69.92 H0 +ATOM 2031 HA VAL A 143 -2.149 -44.906 46.727 1.00 75.99 H0 +ATOM 2032 HB VAL A 143 -0.134 -45.897 46.889 1.00 85.88 H0 +ATOM 2033 HG11 VAL A 143 -0.783 -45.846 44.652 1.00 98.18 H0 +ATOM 2034 HG12 VAL A 143 0.802 -45.773 44.733 1.00 98.18 H0 +ATOM 2035 HG13 VAL A 143 -0.040 -44.459 44.441 1.00 98.18 H0 +ATOM 2036 HG21 VAL A 143 1.179 -43.422 46.465 1.00 87.46 H0 +ATOM 2037 HG22 VAL A 143 1.927 -44.816 46.616 1.00 87.46 H0 +ATOM 2038 HG23 VAL A 143 1.129 -44.205 47.846 1.00 87.46 H0 +ATOM 2039 N VAL A 144 -1.950 -44.364 49.200 1.00 74.70 N0 +ATOM 2040 CA VAL A 144 -1.861 -43.964 50.636 1.00 77.02 C0 +ATOM 2041 C VAL A 144 -0.675 -44.712 51.260 1.00 76.43 C0 +ATOM 2042 O VAL A 144 0.146 -44.051 51.925 1.00 76.49 O0 +ATOM 2043 CB VAL A 144 -3.189 -44.253 51.360 1.00 82.14 C0 +ATOM 2044 CG1 VAL A 144 -3.088 -44.092 52.872 1.00 87.10 C0 +ATOM 2045 CG2 VAL A 144 -4.297 -43.371 50.805 1.00 84.84 C0 +ATOM 2046 H VAL A 144 -2.489 -45.181 48.949 1.00 74.70 H0 +ATOM 2047 HA VAL A 144 -1.689 -43.006 50.678 1.00 77.02 H0 +ATOM 2048 HB VAL A 144 -3.423 -45.196 51.177 1.00 82.14 H0 +ATOM 2049 HG11 VAL A 144 -2.420 -44.708 53.220 1.00 87.10 H0 +ATOM 2050 HG12 VAL A 144 -3.951 -44.285 53.278 1.00 87.10 H0 +ATOM 2051 HG13 VAL A 144 -2.828 -43.179 53.085 1.00 87.10 H0 +ATOM 2052 HG21 VAL A 144 -4.063 -42.435 50.933 1.00 84.84 H0 +ATOM 2053 HG22 VAL A 144 -5.130 -43.564 51.270 1.00 84.84 H0 +ATOM 2054 HG23 VAL A 144 -4.409 -43.549 49.855 1.00 84.84 H0 +ATOM 2055 N ASP A 145 -0.595 -46.022 51.006 1.00 69.57 N0 +ATOM 2056 CA ASP A 145 0.449 -46.950 51.512 1.00 81.43 C0 +ATOM 2057 C ASP A 145 0.694 -48.009 50.440 1.00 72.86 C0 +ATOM 2058 O ASP A 145 -0.193 -48.808 50.146 1.00 68.21 O0 +ATOM 2059 CB ASP A 145 0.011 -47.521 52.866 1.00 89.13 C0 +ATOM 2060 CG ASP A 145 0.791 -48.725 53.375 1.00 90.55 C0 +ATOM 2061 OD1 ASP A 145 1.919 -48.981 52.882 1.00 82.88 O0 +ATOM 2062 OD2 ASP A 145 0.246 -49.410 54.263 1.00 98.03 O0 +ATOM 2063 H ASP A 145 -1.328 -46.382 50.412 1.00 69.57 H0 +ATOM 2064 HA ASP A 145 1.277 -46.437 51.662 1.00 81.43 H0 +ATOM 2065 HB2 ASP A 145 0.110 -46.822 53.544 1.00 89.13 H0 +ATOM 2066 HB3 ASP A 145 -0.922 -47.807 52.795 1.00 89.13 H0 +ATOM 2067 N PRO A 146 1.878 -48.027 49.785 1.00 83.42 N0 +ATOM 2068 CA PRO A 146 2.161 -49.036 48.761 1.00 83.98 C0 +ATOM 2069 C PRO A 146 2.099 -50.475 49.289 1.00 86.58 C0 +ATOM 2070 O PRO A 146 1.817 -51.363 48.501 1.00102.82 O0 +ATOM 2071 CB PRO A 146 3.575 -48.683 48.276 1.00 83.23 C0 +ATOM 2072 CG PRO A 146 3.713 -47.200 48.602 1.00 86.57 C0 +ATOM 2073 CD PRO A 146 2.961 -47.031 49.908 1.00 84.79 C0 +ATOM 2074 HA PRO A 146 1.514 -48.938 48.018 1.00 83.98 H0 +ATOM 2075 HB2 PRO A 146 4.250 -49.218 48.742 1.00 83.23 H0 +ATOM 2076 HB3 PRO A 146 3.669 -48.851 47.315 1.00 83.23 H0 +ATOM 2077 HG2 PRO A 146 4.656 -46.950 48.698 1.00 86.57 H0 +ATOM 2078 HG3 PRO A 146 3.323 -46.649 47.892 1.00 86.57 H0 +ATOM 2079 HD2 PRO A 146 3.546 -47.211 50.673 1.00 84.79 H0 +ATOM 2080 HD3 PRO A 146 2.617 -46.118 49.997 1.00 84.79 H0 +ATOM 2081 N VAL A 147 2.312 -50.674 50.594 1.00 83.21 N0 +ATOM 2082 CA VAL A 147 2.348 -52.038 51.204 1.00 95.95 C0 +ATOM 2083 C VAL A 147 0.940 -52.646 51.158 1.00 83.58 C0 +ATOM 2084 O VAL A 147 0.777 -53.661 50.467 1.00 81.25 O0 +ATOM 2085 CB VAL A 147 2.926 -52.042 52.634 1.00105.99 C0 +ATOM 2086 CG1 VAL A 147 2.929 -53.449 53.236 1.00101.55 C0 +ATOM 2087 CG2 VAL A 147 4.323 -51.431 52.676 1.00101.34 C0 +ATOM 2088 H VAL A 147 2.453 -49.867 51.184 1.00 83.21 H0 +ATOM 2089 HA VAL A 147 2.942 -52.597 50.671 1.00 95.95 H0 +ATOM 2090 HB VAL A 147 2.334 -51.478 53.191 1.00105.99 H0 +ATOM 2091 HG11 VAL A 147 2.018 -53.789 53.272 1.00101.55 H0 +ATOM 2092 HG12 VAL A 147 3.299 -53.417 54.135 1.00101.55 H0 +ATOM 2093 HG13 VAL A 147 3.472 -54.037 52.684 1.00101.55 H0 +ATOM 2094 HG21 VAL A 147 4.919 -51.943 52.102 1.00101.34 H0 +ATOM 2095 HG22 VAL A 147 4.658 -51.448 53.589 1.00101.34 H0 +ATOM 2096 HG23 VAL A 147 4.285 -50.510 52.363 1.00101.34 H0 +ATOM 2097 N THR A 148 -0.040 -52.061 51.859 1.00 84.81 N0 +ATOM 2098 CA THR A 148 -1.462 -52.526 51.843 1.00 89.76 C0 +ATOM 2099 C THR A 148 -2.063 -52.362 50.439 1.00 85.45 C0 +ATOM 2100 O THR A 148 -3.049 -53.075 50.156 1.00 81.90 O0 +ATOM 2101 CB THR A 148 -2.335 -51.789 52.863 1.00 89.33 C0 +ATOM 2102 OG1 THR A 148 -2.145 -50.389 52.650 1.00 89.32 O0 +ATOM 2103 CG2 THR A 148 -2.001 -52.160 54.292 1.00 96.02 C0 +ATOM 2104 H THR A 148 0.211 -51.263 52.425 1.00 84.81 H0 +ATOM 2105 HA THR A 148 -1.472 -53.488 52.072 1.00 89.76 H0 +ATOM 2106 HB THR A 148 -3.280 -52.018 52.685 1.00 89.33 H0 +ATOM 2107 HG1 THR A 148 -2.612 -49.955 53.196 0.00 89.32 H0 +ATOM 2108 HG21 THR A 148 -2.138 -53.131 54.423 1.00 96.02 H0 +ATOM 2109 HG22 THR A 148 -2.590 -51.661 54.910 1.00 96.02 H0 +ATOM 2110 HG23 THR A 148 -1.057 -51.933 54.481 1.00 96.02 H0 +ATOM 2111 N SER A 149 -1.460 -51.502 49.599 1.00 73.04 N0 +ATOM 2112 CA SER A 149 -1.931 -51.125 48.243 1.00 82.74 C0 +ATOM 2113 C SER A 149 -3.241 -50.319 48.389 1.00 80.23 C0 +ATOM 2114 O SER A 149 -4.130 -50.412 47.517 1.00 73.25 O0 +ATOM 2115 CB SER A 149 -2.064 -52.345 47.352 1.00 80.39 C0 +ATOM 2116 OG SER A 149 -3.197 -53.120 47.722 1.00 91.98 O0 +ATOM 2117 H SER A 149 -0.609 -51.092 49.956 1.00 73.04 H0 +ATOM 2118 HA SER A 149 -1.243 -50.547 47.829 1.00 82.74 H0 +ATOM 2119 HB2 SER A 149 -2.158 -52.054 46.411 1.00 80.39 H0 +ATOM 2120 HB3 SER A 149 -1.248 -52.898 47.430 1.00 80.39 H0 +ATOM 2121 HG SER A 149 -3.243 -53.785 47.212 0.00 91.98 H0 +ATOM 2122 N GLU A 150 -3.337 -49.542 49.470 1.00 71.78 N0 +ATOM 2123 CA GLU A 150 -4.444 -48.598 49.735 1.00 75.71 C0 +ATOM 2124 C GLU A 150 -4.222 -47.331 48.892 1.00 72.64 C0 +ATOM 2125 O GLU A 150 -3.105 -46.715 48.937 1.00 62.65 O0 +ATOM 2126 CB GLU A 150 -4.566 -48.303 51.233 1.00 76.95 C0 +ATOM 2127 CG GLU A 150 -5.827 -47.547 51.604 1.00 84.38 C0 +ATOM 2128 CD GLU A 150 -5.859 -46.955 53.005 1.00 93.54 C0 +ATOM 2129 OE1 GLU A 150 -4.972 -47.313 53.828 1.00 98.16 O0 +ATOM 2130 OE2 GLU A 150 -6.762 -46.117 53.267 1.00 85.09 O0 +ATOM 2131 H GLU A 150 -2.587 -49.622 50.142 1.00 71.78 H0 +ATOM 2132 HA GLU A 150 -5.289 -49.023 49.461 1.00 75.71 H0 +ATOM 2133 HB2 GLU A 150 -4.553 -49.153 51.720 1.00 76.95 H0 +ATOM 2134 HB3 GLU A 150 -3.789 -47.775 51.511 1.00 76.95 H0 +ATOM 2135 HG2 GLU A 150 -5.957 -46.813 50.966 1.00 84.38 H0 +ATOM 2136 HG3 GLU A 150 -6.596 -48.149 51.517 1.00 84.38 H0 +ATOM 2137 N HIS A 151 -5.266 -46.979 48.136 1.00 71.52 N0 +ATOM 2138 CA HIS A 151 -5.348 -45.780 47.268 1.00 71.32 C0 +ATOM 2139 C HIS A 151 -6.520 -44.895 47.680 1.00 64.17 C0 +ATOM 2140 O HIS A 151 -7.514 -45.407 48.215 1.00 59.82 O0 +ATOM 2141 CB HIS A 151 -5.483 -46.178 45.805 1.00 71.12 C0 +ATOM 2142 CG HIS A 151 -4.262 -46.806 45.235 1.00 76.24 C0 +ATOM 2143 ND1 HIS A 151 -3.909 -48.122 45.513 1.00 74.15 N0 +ATOM 2144 CD2 HIS A 151 -3.348 -46.328 44.360 1.00 75.34 C0 +ATOM 2145 CE1 HIS A 151 -2.827 -48.424 44.827 1.00 74.68 C0 +ATOM 2146 NE2 HIS A 151 -2.462 -47.340 44.109 1.00 71.62 N0 +ATOM 2147 H HIS A 151 -6.055 -47.608 48.183 1.00 71.52 H0 +ATOM 2148 HA HIS A 151 -4.520 -45.258 47.388 1.00 71.32 H0 +ATOM 2149 HB2 HIS A 151 -6.231 -46.809 45.717 1.00 71.12 H0 +ATOM 2150 HB3 HIS A 151 -5.699 -45.377 45.278 1.00 71.12 H0 +ATOM 2151 HD1 HIS A 151 -4.359 -48.670 46.027 0.00 74.15 H0 +ATOM 2152 HD2 HIS A 151 -3.321 -45.465 43.990 1.00 75.34 H0 +ATOM 2153 HE1 HIS A 151 -2.383 -49.255 44.837 1.00 74.68 H0 +ATOM 2154 HE2 HIS A 151 -1.770 -47.295 43.572 0.00 71.62 H0 +ATOM 2155 N GLU A 152 -6.365 -43.609 47.401 1.00 62.78 N0 +ATOM 2156 CA GLU A 152 -7.364 -42.538 47.587 1.00 64.22 C0 +ATOM 2157 C GLU A 152 -7.767 -42.083 46.185 1.00 63.12 C0 +ATOM 2158 O GLU A 152 -6.886 -41.517 45.498 1.00 56.92 O0 +ATOM 2159 CB GLU A 152 -6.697 -41.409 48.367 1.00 68.93 C0 +ATOM 2160 CG GLU A 152 -7.606 -40.285 48.784 1.00 71.51 C0 +ATOM 2161 CD GLU A 152 -6.826 -39.181 49.471 1.00 86.31 C0 +ATOM 2162 OE1 GLU A 152 -6.823 -39.170 50.716 1.00 93.44 O0 +ATOM 2163 OE2 GLU A 152 -6.203 -38.350 48.760 1.00 94.53 O0 +ATOM 2164 H GLU A 152 -5.457 -43.376 47.024 1.00 62.78 H0 +ATOM 2165 HA GLU A 152 -8.142 -42.915 48.060 1.00 64.22 H0 +ATOM 2166 HB2 GLU A 152 -6.294 -41.785 49.177 1.00 68.93 H0 +ATOM 2167 HB3 GLU A 152 -5.983 -41.028 47.814 1.00 68.93 H0 +ATOM 2168 HG2 GLU A 152 -8.063 -39.935 47.990 1.00 71.51 H0 +ATOM 2169 HG3 GLU A 152 -8.295 -40.640 49.386 1.00 71.51 H0 +ATOM 2170 N LEU A 153 -8.993 -42.403 45.752 1.00 61.74 N0 +ATOM 2171 CA LEU A 153 -9.566 -41.921 44.463 1.00 57.13 C0 +ATOM 2172 C LEU A 153 -10.433 -40.702 44.767 1.00 53.42 C0 +ATOM 2173 O LEU A 153 -11.168 -40.722 45.728 1.00 57.81 O0 +ATOM 2174 CB LEU A 153 -10.384 -43.012 43.777 1.00 61.02 C0 +ATOM 2175 CG LEU A 153 -9.784 -44.419 43.738 1.00 72.70 C0 +ATOM 2176 CD1 LEU A 153 -10.450 -45.257 42.658 1.00 69.33 C0 +ATOM 2177 CD2 LEU A 153 -8.291 -44.405 43.499 1.00 81.55 C0 +ATOM 2178 H LEU A 153 -9.548 -43.005 46.343 1.00 61.74 H0 +ATOM 2179 HA LEU A 153 -8.824 -41.658 43.870 1.00 57.13 H0 +ATOM 2180 HB2 LEU A 153 -11.251 -43.074 44.225 1.00 61.02 H0 +ATOM 2181 HB3 LEU A 153 -10.550 -42.737 42.853 1.00 61.02 H0 +ATOM 2182 HG LEU A 153 -9.936 -44.842 44.619 1.00 72.70 H0 +ATOM 2183 HD11 LEU A 153 -11.403 -45.326 42.842 1.00 69.33 H0 +ATOM 2184 HD12 LEU A 153 -10.055 -46.146 42.648 1.00 69.33 H0 +ATOM 2185 HD13 LEU A 153 -10.318 -44.834 41.791 1.00 69.33 H0 +ATOM 2186 HD21 LEU A 153 -8.103 -43.975 42.647 1.00 81.55 H0 +ATOM 2187 HD22 LEU A 153 -7.956 -45.318 43.483 1.00 81.55 H0 +ATOM 2188 HD23 LEU A 153 -7.852 -43.912 44.214 1.00 81.55 H0 +ATOM 2189 N THR A 154 -10.281 -39.635 44.016 1.00 57.57 N0 +ATOM 2190 CA THR A 154 -11.067 -38.399 44.219 1.00 58.97 C0 +ATOM 2191 C THR A 154 -11.618 -37.991 42.857 1.00 60.20 C0 +ATOM 2192 O THR A 154 -10.840 -37.980 41.877 1.00 55.79 O0 +ATOM 2193 CB THR A 154 -10.229 -37.320 44.905 1.00 58.54 C0 +ATOM 2194 OG1 THR A 154 -9.638 -37.904 46.066 1.00 63.49 O0 +ATOM 2195 CG2 THR A 154 -11.051 -36.118 45.322 1.00 60.87 C0 +ATOM 2196 H THR A 154 -9.598 -39.668 43.272 1.00 57.57 H0 +ATOM 2197 HA THR A 154 -11.815 -38.609 44.831 1.00 58.97 H0 +ATOM 2198 HB THR A 154 -9.527 -37.025 44.274 1.00 58.54 H0 +ATOM 2199 HG1 THR A 154 -9.171 -37.331 46.463 0.00 63.49 H0 +ATOM 2200 HG21 THR A 154 -11.471 -35.711 44.524 1.00 60.87 H0 +ATOM 2201 HG22 THR A 154 -10.465 -35.451 45.758 1.00 60.87 H0 +ATOM 2202 HG23 THR A 154 -11.755 -36.402 45.956 1.00 60.87 H0 +ATOM 2203 N CYS A 155 -12.917 -37.729 42.798 1.00 59.11 N0 +ATOM 2204 CA CYS A 155 -13.592 -37.034 41.670 1.00 61.08 C0 +ATOM 2205 C CYS A 155 -14.138 -35.713 42.187 1.00 53.69 C0 +ATOM 2206 O CYS A 155 -14.650 -35.716 43.316 1.00 57.64 O0 +ATOM 2207 CB CYS A 155 -14.782 -37.838 41.184 1.00 64.44 C0 +ATOM 2208 SG CYS A 155 -14.270 -39.310 40.280 1.00 72.79 S0 +ATOM 2209 H CYS A 155 -13.467 -38.033 43.589 1.00 59.11 H0 +ATOM 2210 HA CYS A 155 -12.914 -36.856 40.972 1.00 61.08 H0 +ATOM 2211 HB2 CYS A 155 -15.332 -38.104 41.961 1.00 64.44 H0 +ATOM 2212 HB3 CYS A 155 -15.339 -37.269 40.597 1.00 64.44 H0 +ATOM 2213 N GLN A 156 -14.085 -34.647 41.403 1.00 56.18 N0 +ATOM 2214 CA GLN A 156 -14.844 -33.431 41.761 1.00 59.33 C0 +ATOM 2215 C GLN A 156 -15.483 -32.852 40.511 1.00 55.28 C0 +ATOM 2216 O GLN A 156 -14.935 -33.039 39.424 1.00 53.56 O0 +ATOM 2217 CB GLN A 156 -13.996 -32.400 42.494 1.00 63.65 C0 +ATOM 2218 CG GLN A 156 -13.048 -31.637 41.606 1.00 72.91 C0 +ATOM 2219 CD GLN A 156 -13.531 -30.323 41.041 1.00 66.10 C0 +ATOM 2220 OE1 GLN A 156 -14.342 -29.598 41.603 1.00 78.19 O0 +ATOM 2221 NE2 GLN A 156 -12.938 -29.957 39.931 1.00 70.85 N0 +ATOM 2222 H GLN A 156 -13.531 -34.651 40.559 1.00 56.18 H0 +ATOM 2223 HA GLN A 156 -15.556 -33.682 42.394 1.00 59.33 H0 +ATOM 2224 HB2 GLN A 156 -14.594 -31.763 42.938 1.00 63.65 H0 +ATOM 2225 HB3 GLN A 156 -13.478 -32.859 43.188 1.00 63.65 H0 +ATOM 2226 HG2 GLN A 156 -12.228 -31.438 42.105 1.00 72.91 H0 +ATOM 2227 HG3 GLN A 156 -12.806 -32.196 40.837 1.00 72.91 H0 +ATOM 2228 HE21 GLN A 156 -13.165 -29.199 39.537 1.00 70.85 H0 +ATOM 2229 HE22 GLN A 156 -12.311 -30.468 39.575 1.00 70.85 H0 +ATOM 2230 N ALA A 157 -16.625 -32.206 40.707 1.00 54.43 N0 +ATOM 2231 CA ALA A 157 -17.365 -31.475 39.662 1.00 55.96 C0 +ATOM 2232 C ALA A 157 -18.188 -30.360 40.299 1.00 58.72 C0 +ATOM 2233 O ALA A 157 -18.573 -30.472 41.482 1.00 57.98 O0 +ATOM 2234 CB ALA A 157 -18.241 -32.445 38.927 1.00 53.54 C0 +ATOM 2235 H ALA A 157 -16.995 -32.230 41.647 1.00 54.43 H0 +ATOM 2236 HA ALA A 157 -16.714 -31.069 39.043 1.00 55.96 H0 +ATOM 2237 HB1 ALA A 157 -18.734 -31.977 38.235 1.00 53.54 H0 +ATOM 2238 HB2 ALA A 157 -17.693 -33.134 38.521 1.00 53.54 H0 +ATOM 2239 HB3 ALA A 157 -18.866 -32.854 39.549 1.00 53.54 H0 +ATOM 2240 N GLU A 158 -18.512 -29.346 39.516 1.00 66.79 N0 +ATOM 2241 CA GLU A 158 -19.364 -28.238 40.002 1.00 70.45 C0 +ATOM 2242 C GLU A 158 -20.667 -28.229 39.197 1.00 68.61 C0 +ATOM 2243 O GLU A 158 -20.655 -28.620 38.029 1.00 61.54 O0 +ATOM 2244 CB GLU A 158 -18.572 -26.932 39.996 1.00 70.92 C0 +ATOM 2245 CG GLU A 158 -17.801 -26.682 38.730 1.00 86.10 C0 +ATOM 2246 CD GLU A 158 -16.909 -25.456 38.804 1.00 89.33 C0 +ATOM 2247 OE1 GLU A 158 -16.499 -25.066 39.946 1.00 80.52 O0 +ATOM 2248 OE2 GLU A 158 -16.633 -24.895 37.721 1.00 75.04 O0 +ATOM 2249 H GLU A 158 -18.172 -29.325 38.565 1.00 66.79 H0 +ATOM 2250 HA GLU A 158 -19.573 -28.398 40.951 1.00 70.45 H0 +ATOM 2251 HB2 GLU A 158 -19.196 -26.188 40.131 1.00 70.92 H0 +ATOM 2252 HB3 GLU A 158 -17.941 -26.947 40.746 1.00 70.92 H0 +ATOM 2253 HG2 GLU A 158 -17.250 -27.469 38.533 1.00 86.10 H0 +ATOM 2254 HG3 GLU A 158 -18.434 -26.575 37.988 1.00 86.10 H0 +ATOM 2255 N GLY A 159 -21.778 -27.877 39.833 1.00 59.75 N0 +ATOM 2256 CA GLY A 159 -23.069 -27.815 39.139 1.00 59.55 C0 +ATOM 2257 C GLY A 159 -24.153 -27.344 40.066 1.00 57.11 C0 +ATOM 2258 O GLY A 159 -23.837 -26.916 41.154 1.00 63.59 O0 +ATOM 2259 H GLY A 159 -21.736 -27.647 40.815 1.00 59.75 H0 +ATOM 2260 HA2 GLY A 159 -22.993 -27.197 38.369 1.00 59.55 H0 +ATOM 2261 HA3 GLY A 159 -23.292 -28.714 38.790 1.00 59.55 H0 +ATOM 2262 N TYR A 160 -25.393 -27.416 39.620 1.00 57.25 N0 +ATOM 2263 CA TYR A 160 -26.567 -26.975 40.397 1.00 60.45 C0 +ATOM 2264 C TYR A 160 -27.745 -27.778 39.902 1.00 53.44 C0 +ATOM 2265 O TYR A 160 -27.910 -27.935 38.697 1.00 73.86 O0 +ATOM 2266 CB TYR A 160 -26.842 -25.478 40.249 1.00 63.84 C0 +ATOM 2267 CG TYR A 160 -27.906 -24.984 41.199 1.00 73.80 C0 +ATOM 2268 CD1 TYR A 160 -27.591 -24.598 42.496 1.00 71.94 C0 +ATOM 2269 CD2 TYR A 160 -29.242 -24.957 40.830 1.00 74.23 C0 +ATOM 2270 CE1 TYR A 160 -28.568 -24.184 43.388 1.00 78.68 C0 +ATOM 2271 CE2 TYR A 160 -30.230 -24.545 41.713 1.00 74.28 C0 +ATOM 2272 CZ TYR A 160 -29.892 -24.150 42.994 1.00 70.81 C0 +ATOM 2273 OH TYR A 160 -30.863 -23.748 43.859 1.00 80.84 O0 +ATOM 2274 H TYR A 160 -25.530 -27.796 38.694 1.00 57.25 H0 +ATOM 2275 HA TYR A 160 -26.406 -27.174 41.354 1.00 60.45 H0 +ATOM 2276 HB2 TYR A 160 -26.005 -24.992 40.403 1.00 63.84 H0 +ATOM 2277 HB3 TYR A 160 -27.113 -25.303 39.324 1.00 63.84 H0 +ATOM 2278 HD1 TYR A 160 -26.695 -24.646 42.787 1.00 71.94 H0 +ATOM 2279 HD2 TYR A 160 -29.485 -25.224 39.959 1.00 74.23 H0 +ATOM 2280 HE1 TYR A 160 -28.332 -23.926 44.264 1.00 78.68 H0 +ATOM 2281 HE2 TYR A 160 -31.131 -24.525 41.436 1.00 74.28 H0 +ATOM 2282 HH TYR A 160 -30.515 -23.543 44.616 0.00 80.84 H0 +ATOM 2283 N PRO A 161 -28.605 -28.329 40.780 1.00 60.73 N0 +ATOM 2284 CA PRO A 161 -28.415 -28.180 42.206 1.00 62.08 C0 +ATOM 2285 C PRO A 161 -27.354 -29.087 42.850 1.00 74.90 C0 +ATOM 2286 O PRO A 161 -26.259 -29.104 42.379 1.00 74.08 O0 +ATOM 2287 CB PRO A 161 -29.810 -28.544 42.707 1.00 55.02 C0 +ATOM 2288 CG PRO A 161 -30.275 -29.608 41.778 1.00 62.10 C0 +ATOM 2289 CD PRO A 161 -29.830 -29.072 40.444 1.00 60.57 C0 +ATOM 2290 HA PRO A 161 -28.165 -27.243 42.407 1.00 62.08 H0 +ATOM 2291 HB2 PRO A 161 -29.778 -28.869 43.631 1.00 55.02 H0 +ATOM 2292 HB3 PRO A 161 -30.406 -27.767 42.682 1.00 55.02 H0 +ATOM 2293 HG2 PRO A 161 -29.858 -30.468 41.996 1.00 62.10 H0 +ATOM 2294 HG3 PRO A 161 -31.247 -29.719 41.833 1.00 62.10 H0 +ATOM 2295 HD2 PRO A 161 -29.656 -29.803 39.814 1.00 60.57 H0 +ATOM 2296 HD3 PRO A 161 -30.517 -28.492 40.054 1.00 60.57 H0 +ATOM 2297 N LYS A 162 -27.704 -29.776 43.930 1.00 74.53 N0 +ATOM 2298 CA LYS A 162 -26.770 -30.643 44.686 1.00 66.91 C0 +ATOM 2299 C LYS A 162 -26.708 -32.021 44.032 1.00 60.55 C0 +ATOM 2300 O LYS A 162 -27.723 -32.453 43.441 1.00 62.38 O0 +ATOM 2301 CB LYS A 162 -27.230 -30.818 46.136 1.00 74.55 C0 +ATOM 2302 CG LYS A 162 -26.141 -30.585 47.169 1.00 85.03 C0 +ATOM 2303 CD LYS A 162 -26.325 -29.336 48.002 1.00 86.46 C0 +ATOM 2304 CE LYS A 162 -27.120 -29.585 49.271 1.00 89.10 C0 +ATOM 2305 NZ LYS A 162 -26.788 -28.608 50.341 1.00 82.47 N0 +ATOM 2306 H LYS A 162 -28.662 -29.695 44.241 1.00 74.53 H0 +ATOM 2307 HA LYS A 162 -25.873 -30.238 44.654 1.00 66.91 H0 +ATOM 2308 HB2 LYS A 162 -27.972 -30.200 46.304 1.00 74.55 H0 +ATOM 2309 HB3 LYS A 162 -27.587 -31.724 46.243 1.00 74.55 H0 +ATOM 2310 HG2 LYS A 162 -26.114 -31.356 47.774 1.00 85.03 H0 +ATOM 2311 HG3 LYS A 162 -25.279 -30.520 46.705 1.00 85.03 H0 +ATOM 2312 HD2 LYS A 162 -25.443 -28.979 48.242 1.00 86.46 H0 +ATOM 2313 HD3 LYS A 162 -26.786 -28.658 47.464 1.00 86.46 H0 +ATOM 2314 HE2 LYS A 162 -28.074 -29.525 49.076 1.00 89.10 H0 +ATOM 2315 HE3 LYS A 162 -26.937 -30.485 49.600 1.00 89.10 H0 +ATOM 2316 HZ1 LYS A 162 -25.906 -28.665 50.545 1.00 82.47 H0 +ATOM 2317 HZ2 LYS A 162 -27.281 -28.784 51.081 1.00 82.47 H0 +ATOM 2318 HZ3 LYS A 162 -26.972 -27.767 50.056 1.00 82.47 H0 +ATOM 2319 N ALA A 163 -25.571 -32.704 44.161 1.00 51.65 N0 +ATOM 2320 CA ALA A 163 -25.355 -34.059 43.593 1.00 55.65 C0 +ATOM 2321 C ALA A 163 -24.853 -35.030 44.656 1.00 56.36 C0 +ATOM 2322 O ALA A 163 -24.005 -34.638 45.434 1.00 58.40 O0 +ATOM 2323 CB ALA A 163 -24.368 -33.974 42.468 1.00 58.54 C0 +ATOM 2324 H ALA A 163 -24.824 -32.261 44.677 1.00 51.65 H0 +ATOM 2325 HA ALA A 163 -26.217 -34.399 43.258 1.00 55.65 H0 +ATOM 2326 HB1 ALA A 163 -24.224 -34.858 42.095 1.00 58.54 H0 +ATOM 2327 HB2 ALA A 163 -24.712 -33.385 41.778 1.00 58.54 H0 +ATOM 2328 HB3 ALA A 163 -23.525 -33.623 42.801 1.00 58.54 H0 +ATOM 2329 N GLU A 164 -25.331 -36.272 44.638 1.00 64.06 N0 +ATOM 2330 CA GLU A 164 -24.624 -37.383 45.319 1.00 67.78 C0 +ATOM 2331 C GLU A 164 -23.585 -37.976 44.357 1.00 63.15 C0 +ATOM 2332 O GLU A 164 -23.708 -37.816 43.102 1.00 54.83 O0 +ATOM 2333 CB GLU A 164 -25.597 -38.444 45.838 1.00 71.80 C0 +ATOM 2334 CG GLU A 164 -26.293 -39.206 44.743 1.00 80.97 C0 +ATOM 2335 CD GLU A 164 -27.459 -40.051 45.213 1.00 81.66 C0 +ATOM 2336 OE1 GLU A 164 -28.419 -40.209 44.431 1.00 97.21 O0 +ATOM 2337 OE2 GLU A 164 -27.389 -40.560 46.339 1.00 93.94 O0 +ATOM 2338 H GLU A 164 -26.194 -36.463 44.150 1.00 64.06 H0 +ATOM 2339 HA GLU A 164 -24.159 -37.020 46.108 1.00 67.78 H0 +ATOM 2340 HB2 GLU A 164 -25.099 -39.076 46.397 1.00 71.80 H0 +ATOM 2341 HB3 GLU A 164 -26.272 -38.002 46.395 1.00 71.80 H0 +ATOM 2342 HG2 GLU A 164 -26.619 -38.570 44.071 1.00 80.97 H0 +ATOM 2343 HG3 GLU A 164 -25.642 -39.791 44.300 1.00 80.97 H0 +ATOM 2344 N VAL A 165 -22.573 -38.623 44.929 1.00 57.25 N0 +ATOM 2345 CA VAL A 165 -21.553 -39.364 44.157 1.00 50.00 C0 +ATOM 2346 C VAL A 165 -21.721 -40.839 44.484 1.00 49.18 C0 +ATOM 2347 O VAL A 165 -21.756 -41.213 45.662 1.00 53.28 O0 +ATOM 2348 CB VAL A 165 -20.141 -38.832 44.420 1.00 48.30 C0 +ATOM 2349 CG1 VAL A 165 -19.136 -39.511 43.514 1.00 52.38 C0 +ATOM 2350 CG2 VAL A 165 -20.067 -37.344 44.206 1.00 56.43 C0 +ATOM 2351 H VAL A 165 -22.508 -38.601 45.937 1.00 57.25 H0 +ATOM 2352 HA VAL A 165 -21.724 -39.224 43.208 1.00 50.00 H0 +ATOM 2353 HB VAL A 165 -19.932 -39.011 45.370 1.00 48.30 H0 +ATOM 2354 HG11 VAL A 165 -19.146 -40.470 43.678 1.00 52.38 H0 +ATOM 2355 HG12 VAL A 165 -18.247 -39.160 43.695 1.00 52.38 H0 +ATOM 2356 HG13 VAL A 165 -19.368 -39.339 42.585 1.00 52.38 H0 +ATOM 2357 HG21 VAL A 165 -20.310 -37.135 43.287 1.00 56.43 H0 +ATOM 2358 HG22 VAL A 165 -19.161 -37.035 44.380 1.00 56.43 H0 +ATOM 2359 HG23 VAL A 165 -20.683 -36.897 44.812 1.00 56.43 H0 +ATOM 2360 N ILE A 166 -21.928 -41.638 43.457 1.00 57.24 N0 +ATOM 2361 CA ILE A 166 -21.946 -43.120 43.577 1.00 55.66 C0 +ATOM 2362 C ILE A 166 -20.645 -43.649 42.974 1.00 58.53 C0 +ATOM 2363 O ILE A 166 -20.390 -43.418 41.765 1.00 54.78 O0 +ATOM 2364 CB ILE A 166 -23.169 -43.727 42.884 1.00 60.30 C0 +ATOM 2365 CG1 ILE A 166 -24.467 -43.205 43.498 1.00 62.67 C0 +ATOM 2366 CG2 ILE A 166 -23.118 -45.249 42.910 1.00 61.09 C0 +ATOM 2367 CD1 ILE A 166 -25.529 -43.043 42.462 1.00 69.62 C0 +ATOM 2368 H ILE A 166 -22.080 -41.215 42.552 1.00 57.24 H0 +ATOM 2369 HA ILE A 166 -21.976 -43.351 44.522 1.00 55.66 H0 +ATOM 2370 HB ILE A 166 -23.142 -43.446 41.936 1.00 60.30 H0 +ATOM 2371 HG12 ILE A 166 -24.763 -43.835 44.189 1.00 62.67 H0 +ATOM 2372 HG13 ILE A 166 -24.286 -42.344 43.932 1.00 62.67 H0 +ATOM 2373 HG21 ILE A 166 -22.319 -45.558 42.448 1.00 61.09 H0 +ATOM 2374 HG22 ILE A 166 -23.903 -45.610 42.462 1.00 61.09 H0 +ATOM 2375 HG23 ILE A 166 -23.099 -45.560 43.832 1.00 61.09 H0 +ATOM 2376 HD11 ILE A 166 -25.231 -42.410 41.786 1.00 69.62 H0 +ATOM 2377 HD12 ILE A 166 -26.343 -42.710 42.879 1.00 69.62 H0 +ATOM 2378 HD13 ILE A 166 -25.709 -43.902 42.043 1.00 69.62 H0 +ATOM 2379 N TRP A 167 -19.889 -44.345 43.820 1.00 59.24 N0 +ATOM 2380 CA TRP A 167 -18.662 -45.101 43.494 1.00 54.92 C0 +ATOM 2381 C TRP A 167 -19.035 -46.531 43.097 1.00 56.49 C0 +ATOM 2382 O TRP A 167 -19.789 -47.167 43.859 1.00 55.78 O0 +ATOM 2383 CB TRP A 167 -17.752 -45.058 44.710 1.00 55.52 C0 +ATOM 2384 CG TRP A 167 -17.079 -43.733 44.880 1.00 52.14 C0 +ATOM 2385 CD1 TRP A 167 -17.401 -42.762 45.767 1.00 50.39 C0 +ATOM 2386 CD2 TRP A 167 -15.942 -43.250 44.145 1.00 49.58 C0 +ATOM 2387 NE1 TRP A 167 -16.549 -41.702 45.633 1.00 53.23 N0 +ATOM 2388 CE2 TRP A 167 -15.648 -41.968 44.638 1.00 55.81 C0 +ATOM 2389 CE3 TRP A 167 -15.174 -43.758 43.093 1.00 51.04 C0 +ATOM 2390 CZ2 TRP A 167 -14.607 -41.187 44.126 1.00 54.78 C0 +ATOM 2391 CZ3 TRP A 167 -14.135 -43.000 42.605 1.00 49.50 C0 +ATOM 2392 CH2 TRP A 167 -13.861 -41.731 43.109 1.00 52.74 C0 +ATOM 2393 H TRP A 167 -20.220 -44.331 44.774 1.00 59.24 H0 +ATOM 2394 HA TRP A 167 -18.225 -44.658 42.729 1.00 54.92 H0 +ATOM 2395 HB2 TRP A 167 -18.290 -45.258 45.503 1.00 55.52 H0 +ATOM 2396 HB3 TRP A 167 -17.076 -45.760 44.613 1.00 55.52 H0 +ATOM 2397 HD1 TRP A 167 -18.105 -42.811 46.396 1.00 50.39 H0 +ATOM 2398 HE1 TRP A 167 -16.577 -40.965 46.108 1.00 53.23 H0 +ATOM 2399 HE3 TRP A 167 -15.350 -44.617 42.742 1.00 51.04 H0 +ATOM 2400 HZ2 TRP A 167 -14.425 -40.326 44.463 1.00 54.78 H0 +ATOM 2401 HZ3 TRP A 167 -13.610 -43.334 41.895 1.00 49.50 H0 +ATOM 2402 HH2 TRP A 167 -13.142 -41.240 42.752 1.00 52.74 H0 +ATOM 2403 N THR A 168 -18.558 -47.015 41.946 1.00 49.69 N0 +ATOM 2404 CA THR A 168 -18.805 -48.422 41.530 1.00 56.90 C0 +ATOM 2405 C THR A 168 -17.482 -49.084 41.164 1.00 59.74 C0 +ATOM 2406 O THR A 168 -16.548 -48.386 40.711 1.00 60.11 O0 +ATOM 2407 CB THR A 168 -19.840 -48.567 40.404 1.00 55.71 C0 +ATOM 2408 OG1 THR A 168 -19.545 -47.624 39.373 1.00 57.39 O0 +ATOM 2409 CG2 THR A 168 -21.267 -48.372 40.885 1.00 51.69 C0 +ATOM 2410 H THR A 168 -18.017 -46.411 41.344 1.00 49.69 H0 +ATOM 2411 HA THR A 168 -19.196 -48.904 42.299 1.00 56.90 H0 +ATOM 2412 HB THR A 168 -19.754 -49.474 40.019 1.00 55.71 H0 +ATOM 2413 HG1 THR A 168 -20.107 -47.698 38.754 0.00 57.39 H0 +ATOM 2414 HG21 THR A 168 -21.479 -49.047 41.576 1.00 51.69 H0 +ATOM 2415 HG22 THR A 168 -21.890 -48.476 40.124 1.00 51.69 H0 +ATOM 2416 HG23 THR A 168 -21.366 -47.466 41.269 1.00 51.69 H0 +ATOM 2417 N SER A 169 -17.411 -50.383 41.424 1.00 62.38 N0 +ATOM 2418 CA SER A 169 -16.296 -51.268 41.018 1.00 67.49 C0 +ATOM 2419 C SER A 169 -16.429 -51.494 39.511 1.00 64.30 C0 +ATOM 2420 O SER A 169 -17.475 -51.097 38.953 1.00 63.40 O0 +ATOM 2421 CB SER A 169 -16.342 -52.567 41.794 1.00 73.49 C0 +ATOM 2422 OG SER A 169 -17.381 -53.415 41.303 1.00 72.94 O0 +ATOM 2423 H SER A 169 -18.187 -50.774 41.938 1.00 62.38 H0 +ATOM 2424 HA SER A 169 -15.447 -50.798 41.208 1.00 67.49 H0 +ATOM 2425 HB2 SER A 169 -15.472 -53.030 41.709 1.00 73.49 H0 +ATOM 2426 HB3 SER A 169 -16.502 -52.371 42.750 1.00 73.49 H0 +ATOM 2427 HG SER A 169 -17.381 -54.124 41.751 0.00 72.94 H0 +ATOM 2428 N SER A 170 -15.441 -52.118 38.874 1.00 62.68 N0 +ATOM 2429 CA SER A 170 -15.509 -52.492 37.434 1.00 71.10 C0 +ATOM 2430 C SER A 170 -16.691 -53.447 37.160 1.00 65.22 C0 +ATOM 2431 O SER A 170 -17.159 -53.440 36.012 1.00 69.06 O0 +ATOM 2432 CB SER A 170 -14.196 -53.067 36.937 1.00 70.82 C0 +ATOM 2433 OG SER A 170 -13.757 -54.145 37.752 1.00 76.03 O0 +ATOM 2434 H SER A 170 -14.610 -52.344 39.403 1.00 62.68 H0 +ATOM 2435 HA SER A 170 -15.663 -51.667 36.910 1.00 71.10 H0 +ATOM 2436 HB2 SER A 170 -14.311 -53.390 36.009 1.00 70.82 H0 +ATOM 2437 HB3 SER A 170 -13.506 -52.358 36.940 1.00 70.82 H0 +ATOM 2438 HG SER A 170 -13.031 -54.433 37.445 0.00 76.03 H0 +ATOM 2439 N ASP A 171 -17.163 -54.236 38.146 1.00 69.00 N0 +ATOM 2440 CA ASP A 171 -18.353 -55.133 37.990 1.00 73.90 C0 +ATOM 2441 C ASP A 171 -19.650 -54.403 38.389 1.00 66.46 C0 +ATOM 2442 O ASP A 171 -20.713 -55.067 38.470 1.00 71.61 O0 +ATOM 2443 CB ASP A 171 -18.182 -56.477 38.714 1.00 84.85 C0 +ATOM 2444 CG ASP A 171 -17.212 -56.493 39.890 1.00101.70 C0 +ATOM 2445 OD1 ASP A 171 -17.541 -55.907 40.969 1.00 88.37 O0 +ATOM 2446 OD2 ASP A 171 -16.132 -57.111 39.726 1.00118.23 O0 +ATOM 2447 H ASP A 171 -16.678 -54.211 39.032 1.00 69.00 H0 +ATOM 2448 HA ASP A 171 -18.428 -55.391 37.041 1.00 73.90 H0 +ATOM 2449 HB2 ASP A 171 -19.052 -56.750 39.070 1.00 84.85 H0 +ATOM 2450 HB3 ASP A 171 -17.847 -57.135 38.071 1.00 84.85 H0 +ATOM 2451 N HIS A 172 -19.573 -53.083 38.597 1.00 61.76 N0 +ATOM 2452 CA HIS A 172 -20.709 -52.163 38.856 1.00 69.50 C0 +ATOM 2453 C HIS A 172 -21.331 -52.464 40.223 1.00 68.81 C0 +ATOM 2454 O HIS A 172 -22.518 -52.262 40.344 1.00 75.32 O0 +ATOM 2455 CB HIS A 172 -21.724 -52.218 37.700 1.00 72.86 C0 +ATOM 2456 CG HIS A 172 -21.112 -51.961 36.359 1.00 85.49 C0 +ATOM 2457 ND1 HIS A 172 -20.748 -52.989 35.497 1.00 84.16 N0 +ATOM 2458 CD2 HIS A 172 -20.770 -50.807 35.737 1.00 87.65 C0 +ATOM 2459 CE1 HIS A 172 -20.221 -52.476 34.399 1.00 86.17 C0 +ATOM 2460 NE2 HIS A 172 -20.221 -51.141 34.522 1.00 91.01 N0 +ATOM 2461 H HIS A 172 -18.635 -52.711 38.568 1.00 61.76 H0 +ATOM 2462 HA HIS A 172 -20.358 -51.242 38.877 1.00 69.50 H0 +ATOM 2463 HB2 HIS A 172 -22.147 -53.105 37.692 1.00 72.86 H0 +ATOM 2464 HB3 HIS A 172 -22.426 -51.549 37.863 1.00 72.86 H0 +ATOM 2465 HD1 HIS A 172 -20.842 -53.844 35.660 0.00 84.16 H0 +ATOM 2466 HD2 HIS A 172 -20.885 -49.937 36.071 1.00 87.65 H0 +ATOM 2467 HE1 HIS A 172 -19.897 -52.967 33.663 1.00 86.17 H0 +ATOM 2468 HE2 HIS A 172 -19.921 -50.575 33.923 0.00 91.01 H0 +ATOM 2469 N GLN A 173 -20.544 -52.897 41.213 1.00 65.45 N0 +ATOM 2470 CA GLN A 173 -20.996 -53.014 42.627 1.00 63.87 C0 +ATOM 2471 C GLN A 173 -20.765 -51.666 43.302 1.00 60.21 C0 +ATOM 2472 O GLN A 173 -19.767 -51.017 42.971 1.00 61.04 O0 +ATOM 2473 CB GLN A 173 -20.251 -54.121 43.372 1.00 59.69 C0 +ATOM 2474 CG GLN A 173 -20.363 -55.480 42.693 1.00 70.56 C0 +ATOM 2475 CD GLN A 173 -20.016 -56.638 43.599 1.00 70.04 C0 +ATOM 2476 OE1 GLN A 173 -19.001 -57.304 43.410 1.00 78.09 O0 +ATOM 2477 NE2 GLN A 173 -20.853 -56.877 44.601 1.00 69.62 N0 +ATOM 2478 H GLN A 173 -19.597 -53.155 40.976 1.00 65.45 H0 +ATOM 2479 HA GLN A 173 -21.958 -53.223 42.631 1.00 63.87 H0 +ATOM 2480 HB2 GLN A 173 -19.306 -53.869 43.441 1.00 59.69 H0 +ATOM 2481 HB3 GLN A 173 -20.611 -54.182 44.281 1.00 59.69 H0 +ATOM 2482 HG2 GLN A 173 -21.281 -55.604 42.369 1.00 70.56 H0 +ATOM 2483 HG3 GLN A 173 -19.763 -55.503 41.917 1.00 70.56 H0 +ATOM 2484 HE21 GLN A 173 -20.695 -57.543 45.160 1.00 69.62 H0 +ATOM 2485 HE22 GLN A 173 -21.569 -56.370 44.710 1.00 69.62 H0 +ATOM 2486 N VAL A 174 -21.665 -51.257 44.194 1.00 61.75 N0 +ATOM 2487 CA VAL A 174 -21.624 -49.911 44.837 1.00 63.82 C0 +ATOM 2488 C VAL A 174 -20.591 -49.936 45.969 1.00 61.95 C0 +ATOM 2489 O VAL A 174 -20.671 -50.820 46.813 1.00 66.92 O0 +ATOM 2490 CB VAL A 174 -23.027 -49.488 45.324 1.00 62.29 C0 +ATOM 2491 CG1 VAL A 174 -23.015 -48.167 46.103 1.00 57.22 C0 +ATOM 2492 CG2 VAL A 174 -24.000 -49.394 44.155 1.00 64.54 C0 +ATOM 2493 H VAL A 174 -22.406 -51.898 44.439 1.00 61.75 H0 +ATOM 2494 HA VAL A 174 -21.337 -49.261 44.171 1.00 63.82 H0 +ATOM 2495 HB VAL A 174 -23.350 -50.194 45.936 1.00 62.29 H0 +ATOM 2496 HG11 VAL A 174 -22.444 -48.256 46.886 1.00 57.22 H0 +ATOM 2497 HG12 VAL A 174 -23.920 -47.948 46.385 1.00 57.22 H0 +ATOM 2498 HG13 VAL A 174 -22.673 -47.457 45.533 1.00 57.22 H0 +ATOM 2499 HG21 VAL A 174 -23.678 -48.735 43.516 1.00 64.54 H0 +ATOM 2500 HG22 VAL A 174 -24.876 -49.127 44.482 1.00 64.54 H0 +ATOM 2501 HG23 VAL A 174 -24.068 -50.261 43.718 1.00 64.54 H0 +ATOM 2502 N LEU A 175 -19.666 -48.982 45.987 1.00 65.96 N0 +ATOM 2503 CA LEU A 175 -18.679 -48.808 47.085 1.00 62.79 C0 +ATOM 2504 C LEU A 175 -19.006 -47.518 47.840 1.00 60.27 C0 +ATOM 2505 O LEU A 175 -19.726 -46.700 47.274 1.00 75.56 O0 +ATOM 2506 CB LEU A 175 -17.267 -48.759 46.490 1.00 70.04 C0 +ATOM 2507 CG LEU A 175 -16.914 -49.879 45.512 1.00 70.92 C0 +ATOM 2508 CD1 LEU A 175 -15.663 -49.534 44.715 1.00 66.48 C0 +ATOM 2509 CD2 LEU A 175 -16.753 -51.215 46.229 1.00 67.71 C0 +ATOM 2510 H LEU A 175 -19.646 -48.347 45.202 1.00 65.96 H0 +ATOM 2511 HA LEU A 175 -18.760 -49.571 47.702 1.00 62.79 H0 +ATOM 2512 HB2 LEU A 175 -17.157 -47.904 46.028 1.00 70.04 H0 +ATOM 2513 HB3 LEU A 175 -16.622 -48.781 47.225 1.00 70.04 H0 +ATOM 2514 HG LEU A 175 -17.659 -49.970 44.868 1.00 70.92 H0 +ATOM 2515 HD11 LEU A 175 -15.815 -48.715 44.211 1.00 66.48 H0 +ATOM 2516 HD12 LEU A 175 -15.458 -50.261 44.101 1.00 66.48 H0 +ATOM 2517 HD13 LEU A 175 -14.915 -49.405 45.324 1.00 66.48 H0 +ATOM 2518 HD21 LEU A 175 -16.041 -51.145 46.889 1.00 67.71 H0 +ATOM 2519 HD22 LEU A 175 -16.530 -51.906 45.581 1.00 67.71 H0 +ATOM 2520 HD23 LEU A 175 -17.586 -51.446 46.675 1.00 67.71 H0 +ATOM 2521 N SER A 176 -18.513 -47.375 49.076 1.00 59.35 N0 +ATOM 2522 CA SER A 176 -18.806 -46.244 49.996 1.00 65.43 C0 +ATOM 2523 C SER A 176 -17.640 -45.274 49.984 1.00 55.70 C0 +ATOM 2524 O SER A 176 -16.518 -45.660 50.330 1.00 72.06 O0 +ATOM 2525 CB SER A 176 -19.095 -46.655 51.425 1.00 63.62 C0 +ATOM 2526 OG SER A 176 -19.870 -47.841 51.449 1.00 75.49 O0 +ATOM 2527 H SER A 176 -17.894 -48.111 49.383 1.00 59.35 H0 +ATOM 2528 HA SER A 176 -19.608 -45.774 49.659 1.00 65.43 H0 +ATOM 2529 HB2 SER A 176 -18.241 -46.806 51.901 1.00 63.62 H0 +ATOM 2530 HB3 SER A 176 -19.585 -45.927 51.881 1.00 63.62 H0 +ATOM 2531 HG SER A 176 -20.016 -48.047 52.249 0.00 75.49 H0 +ATOM 2532 N GLY A 177 -17.950 -44.045 49.639 1.00 53.12 N0 +ATOM 2533 CA GLY A 177 -17.006 -42.929 49.572 1.00 59.90 C0 +ATOM 2534 C GLY A 177 -17.533 -41.885 50.511 1.00 60.61 C0 +ATOM 2535 O GLY A 177 -18.596 -42.139 51.112 1.00 51.23 O0 +ATOM 2536 H GLY A 177 -18.920 -43.884 49.407 1.00 53.12 H0 +ATOM 2537 HA2 GLY A 177 -16.107 -43.250 49.834 1.00 59.90 H0 +ATOM 2538 HA3 GLY A 177 -16.956 -42.603 48.638 1.00 59.90 H0 +ATOM 2539 N LYS A 178 -16.793 -40.801 50.668 1.00 55.61 N0 +ATOM 2540 CA LYS A 178 -17.166 -39.685 51.553 1.00 62.79 C0 +ATOM 2541 C LYS A 178 -17.275 -38.495 50.628 1.00 63.47 C0 +ATOM 2542 O LYS A 178 -16.262 -38.185 49.924 1.00 65.47 O0 +ATOM 2543 CB LYS A 178 -16.118 -39.424 52.643 1.00 67.48 C0 +ATOM 2544 CG LYS A 178 -15.566 -40.672 53.313 1.00 80.65 C0 +ATOM 2545 CD LYS A 178 -14.823 -40.393 54.599 1.00 83.06 C0 +ATOM 2546 CE LYS A 178 -14.742 -41.623 55.479 1.00 87.91 C0 +ATOM 2547 NZ LYS A 178 -14.260 -41.282 56.835 1.00 88.92 N0 +ATOM 2548 H LYS A 178 -15.929 -40.749 50.147 1.00 55.61 H0 +ATOM 2549 HA LYS A 178 -18.035 -39.892 51.968 1.00 62.79 H0 +ATOM 2550 HB2 LYS A 178 -15.375 -38.922 52.247 1.00 67.48 H0 +ATOM 2551 HB3 LYS A 178 -16.517 -38.847 53.327 1.00 67.48 H0 +ATOM 2552 HG2 LYS A 178 -16.312 -41.278 53.508 1.00 80.65 H0 +ATOM 2553 HG3 LYS A 178 -14.955 -41.118 52.688 1.00 80.65 H0 +ATOM 2554 HD2 LYS A 178 -13.918 -40.082 54.384 1.00 83.06 H0 +ATOM 2555 HD3 LYS A 178 -15.280 -39.672 55.083 1.00 83.06 H0 +ATOM 2556 HE2 LYS A 178 -15.624 -42.036 55.546 1.00 87.91 H0 +ATOM 2557 HE3 LYS A 178 -14.136 -42.273 55.076 1.00 87.91 H0 +ATOM 2558 HZ1 LYS A 178 -13.434 -40.910 56.783 1.00 88.92 H0 +ATOM 2559 HZ2 LYS A 178 -14.222 -42.031 57.344 1.00 88.92 H0 +ATOM 2560 HZ3 LYS A 178 -14.827 -40.690 57.222 1.00 88.92 H0 +ATOM 2561 N THR A 179 -18.444 -37.880 50.627 1.00 58.11 N0 +ATOM 2562 CA THR A 179 -18.708 -36.712 49.778 1.00 56.64 C0 +ATOM 2563 C THR A 179 -18.634 -35.455 50.619 1.00 55.78 C0 +ATOM 2564 O THR A 179 -19.120 -35.467 51.748 1.00 58.77 O0 +ATOM 2565 CB THR A 179 -20.054 -36.849 49.080 1.00 60.27 C0 +ATOM 2566 OG1 THR A 179 -19.937 -38.060 48.329 1.00 59.77 O0 +ATOM 2567 CG2 THR A 179 -20.362 -35.632 48.236 1.00 60.62 C0 +ATOM 2568 H THR A 179 -19.177 -38.226 51.230 1.00 58.11 H0 +ATOM 2569 HA THR A 179 -18.003 -36.671 49.085 1.00 56.64 H0 +ATOM 2570 HB THR A 179 -20.752 -36.958 49.772 1.00 60.27 H0 +ATOM 2571 HG1 THR A 179 -20.651 -38.203 47.912 0.00 59.77 H0 +ATOM 2572 HG21 THR A 179 -20.388 -34.828 48.811 1.00 60.62 H0 +ATOM 2573 HG22 THR A 179 -21.240 -35.748 47.796 1.00 60.62 H0 +ATOM 2574 HG23 THR A 179 -19.661 -35.521 47.547 1.00 60.62 H0 +ATOM 2575 N THR A 180 -18.105 -34.402 50.018 1.00 58.11 N0 +ATOM 2576 CA THR A 180 -18.014 -33.060 50.611 1.00 58.63 C0 +ATOM 2577 C THR A 180 -18.624 -32.087 49.612 1.00 60.39 C0 +ATOM 2578 O THR A 180 -18.105 -31.986 48.479 1.00 61.05 O0 +ATOM 2579 CB THR A 180 -16.558 -32.730 50.970 1.00 67.87 C0 +ATOM 2580 OG1 THR A 180 -16.153 -33.754 51.872 1.00 65.26 O0 +ATOM 2581 CG2 THR A 180 -16.362 -31.369 51.607 1.00 65.07 C0 +ATOM 2582 H THR A 180 -17.745 -34.554 49.087 1.00 58.11 H0 +ATOM 2583 HA THR A 180 -18.545 -33.057 51.445 1.00 58.63 H0 +ATOM 2584 HB THR A 180 -16.020 -32.760 50.141 1.00 67.87 H0 +ATOM 2585 HG1 THR A 180 -15.357 -33.625 52.105 0.00 65.26 H0 +ATOM 2586 HG21 THR A 180 -16.670 -30.665 50.985 1.00 65.07 H0 +ATOM 2587 HG22 THR A 180 -15.403 -31.232 51.806 1.00 65.07 H0 +ATOM 2588 HG23 THR A 180 -16.883 -31.318 52.446 1.00 65.07 H0 +ATOM 2589 N THR A 181 -19.660 -31.376 50.044 1.00 69.29 N0 +ATOM 2590 CA THR A 181 -20.338 -30.321 49.258 1.00 68.43 C0 +ATOM 2591 C THR A 181 -20.060 -28.950 49.872 1.00 71.08 C0 +ATOM 2592 O THR A 181 -20.459 -28.737 51.023 1.00 74.03 O0 +ATOM 2593 CB THR A 181 -21.822 -30.646 49.206 1.00 60.85 C0 +ATOM 2594 OG1 THR A 181 -21.754 -32.023 48.865 1.00 65.21 O0 +ATOM 2595 CG2 THR A 181 -22.585 -29.800 48.212 1.00 63.98 C0 +ATOM 2596 H THR A 181 -19.991 -31.586 50.975 1.00 69.29 H0 +ATOM 2597 HA THR A 181 -19.964 -30.333 48.342 1.00 68.43 H0 +ATOM 2598 HB THR A 181 -22.204 -30.497 50.106 1.00 60.85 H0 +ATOM 2599 HG1 THR A 181 -22.530 -32.336 48.802 0.00 65.21 H0 +ATOM 2600 HG21 THR A 181 -22.499 -28.845 48.455 1.00 63.98 H0 +ATOM 2601 HG22 THR A 181 -23.540 -30.055 48.224 1.00 63.98 H0 +ATOM 2602 HG23 THR A 181 -22.218 -29.943 47.305 1.00 63.98 H0 +ATOM 2603 N THR A 182 -19.421 -28.067 49.109 1.00 70.90 N0 +ATOM 2604 CA THR A 182 -19.140 -26.650 49.458 1.00 73.36 C0 +ATOM 2605 C THR A 182 -19.724 -25.727 48.388 1.00 73.75 C0 +ATOM 2606 O THR A 182 -19.885 -26.177 47.243 1.00 71.15 O0 +ATOM 2607 CB THR A 182 -17.631 -26.401 49.544 1.00 76.95 C0 +ATOM 2608 OG1 THR A 182 -17.001 -26.822 48.327 1.00 74.04 O0 +ATOM 2609 CG2 THR A 182 -17.011 -27.127 50.717 1.00 78.46 C0 +ATOM 2610 H THR A 182 -19.112 -28.425 48.217 1.00 70.90 H0 +ATOM 2611 HA THR A 182 -19.586 -26.452 50.318 1.00 73.36 H0 +ATOM 2612 HB THR A 182 -17.482 -25.428 49.643 1.00 76.95 H0 +ATOM 2613 HG1 THR A 182 -16.175 -26.685 48.376 0.00 74.04 H0 +ATOM 2614 HG21 THR A 182 -17.425 -26.812 51.558 1.00 78.46 H0 +ATOM 2615 HG22 THR A 182 -16.039 -26.944 50.743 1.00 78.46 H0 +ATOM 2616 HG23 THR A 182 -17.160 -28.100 50.621 1.00 78.46 H0 +ATOM 2617 N ASN A 183 -19.987 -24.467 48.718 1.00 78.38 N0 +ATOM 2618 CA ASN A 183 -20.365 -23.467 47.689 1.00 82.21 C0 +ATOM 2619 C ASN A 183 -19.117 -23.210 46.845 1.00 84.56 C0 +ATOM 2620 O ASN A 183 -18.028 -23.071 47.419 1.00 81.01 O0 +ATOM 2621 CB ASN A 183 -21.027 -22.238 48.307 1.00 85.79 C0 +ATOM 2622 CG ASN A 183 -22.470 -22.534 48.653 1.00 84.70 C0 +ATOM 2623 OD1 ASN A 183 -23.379 -22.281 47.852 1.00 92.60 O0 +ATOM 2624 ND2 ASN A 183 -22.673 -23.146 49.809 1.00 85.66 N0 +ATOM 2625 H ASN A 183 -19.930 -24.181 49.685 1.00 78.38 H0 +ATOM 2626 HA ASN A 183 -21.079 -23.851 47.127 1.00 82.21 H0 +ATOM 2627 HB2 ASN A 183 -20.530 -21.980 49.110 1.00 85.79 H0 +ATOM 2628 HB3 ASN A 183 -20.974 -21.496 47.671 1.00 85.79 H0 +ATOM 2629 HD21 ASN A 183 -23.495 -23.345 50.065 1.00 85.66 H0 +ATOM 2630 HD22 ASN A 183 -21.986 -23.356 50.325 1.00 85.66 H0 +ATOM 2631 N SER A 184 -19.254 -23.254 45.523 1.00 85.09 N0 +ATOM 2632 CA SER A 184 -18.143 -22.964 44.584 1.00 86.26 C0 +ATOM 2633 C SER A 184 -17.498 -21.646 45.003 1.00 86.15 C0 +ATOM 2634 O SER A 184 -18.235 -20.730 45.435 1.00 81.69 O0 +ATOM 2635 CB SER A 184 -18.610 -22.901 43.152 1.00 91.13 C0 +ATOM 2636 OG SER A 184 -17.531 -22.643 42.259 1.00 79.66 O0 +ATOM 2637 H SER A 184 -20.161 -23.497 45.152 1.00 85.09 H0 +ATOM 2638 HA SER A 184 -17.476 -23.690 44.665 1.00 86.26 H0 +ATOM 2639 HB2 SER A 184 -19.032 -23.761 42.907 1.00 91.13 H0 +ATOM 2640 HB3 SER A 184 -19.284 -22.183 43.059 1.00 91.13 H0 +ATOM 2641 HG SER A 184 -17.833 -22.616 41.477 0.00 79.66 H0 +ATOM 2642 N LYS A 185 -16.178 -21.568 44.877 1.00 85.53 N0 +ATOM 2643 CA LYS A 185 -15.402 -20.320 45.082 1.00102.90 C0 +ATOM 2644 C LYS A 185 -15.110 -19.697 43.710 1.00110.56 C0 +ATOM 2645 O LYS A 185 -14.961 -18.461 43.644 1.00110.18 O0 +ATOM 2646 CB LYS A 185 -14.145 -20.636 45.895 1.00 99.67 C0 +ATOM 2647 CG LYS A 185 -14.432 -21.266 47.248 1.00106.42 C0 +ATOM 2648 CD LYS A 185 -13.201 -21.525 48.070 1.00116.44 C0 +ATOM 2649 CE LYS A 185 -13.536 -22.004 49.468 1.00123.71 C0 +ATOM 2650 NZ LYS A 185 -12.313 -22.154 50.290 1.00123.69 N0 +ATOM 2651 H LYS A 185 -15.690 -22.416 44.627 1.00 85.53 H0 +ATOM 2652 HA LYS A 185 -15.949 -19.695 45.611 1.00102.90 H0 +ATOM 2653 HB2 LYS A 185 -13.577 -21.237 45.369 1.00 99.67 H0 +ATOM 2654 HB3 LYS A 185 -13.639 -19.806 46.022 1.00 99.67 H0 +ATOM 2655 HG2 LYS A 185 -15.024 -20.668 47.752 1.00106.42 H0 +ATOM 2656 HG3 LYS A 185 -14.896 -22.118 47.104 1.00106.42 H0 +ATOM 2657 HD2 LYS A 185 -12.651 -22.200 47.618 1.00116.44 H0 +ATOM 2658 HD3 LYS A 185 -12.675 -20.699 48.127 1.00116.44 H0 +ATOM 2659 HE2 LYS A 185 -14.136 -21.365 49.897 1.00123.71 H0 +ATOM 2660 HE3 LYS A 185 -13.998 -22.862 49.418 1.00123.71 H0 +ATOM 2661 HZ1 LYS A 185 -11.756 -22.756 49.904 1.00123.69 H0 +ATOM 2662 HZ2 LYS A 185 -12.535 -22.438 51.122 1.00123.69 H0 +ATOM 2663 HZ3 LYS A 185 -11.887 -21.356 50.354 1.00123.69 H0 +ATOM 2664 N ARG A 186 -15.071 -20.522 42.658 1.00118.16 N0 +ATOM 2665 CA ARG A 186 -14.754 -20.114 41.261 1.00125.52 C0 +ATOM 2666 C ARG A 186 -15.949 -19.380 40.632 1.00123.31 C0 +ATOM 2667 O ARG A 186 -15.714 -18.574 39.705 1.00107.38 O0 +ATOM 2668 CB ARG A 186 -14.370 -21.346 40.432 1.00129.10 C0 +ATOM 2669 CG ARG A 186 -13.849 -21.029 39.035 1.00136.00 C0 +ATOM 2670 CD ARG A 186 -14.293 -22.028 37.979 1.00133.14 C0 +ATOM 2671 NE ARG A 186 -15.742 -22.219 37.971 1.00129.96 N0 +ATOM 2672 CZ ARG A 186 -16.628 -21.548 37.229 1.00118.85 C0 +ATOM 2673 NH1 ARG A 186 -16.249 -20.604 36.386 1.00131.83 N0 +ATOM 2674 NH2 ARG A 186 -17.913 -21.829 37.341 1.00112.93 N0 +ATOM 2675 H ARG A 186 -15.276 -21.491 42.853 1.00118.16 H0 +ATOM 2676 HA ARG A 186 -13.985 -19.492 41.283 1.00125.52 H0 +ATOM 2677 HB2 ARG A 186 -13.674 -21.850 40.921 1.00129.10 H0 +ATOM 2678 HB3 ARG A 186 -15.165 -21.929 40.348 1.00129.10 H0 +ATOM 2679 HG2 ARG A 186 -14.164 -20.131 38.765 1.00136.00 H0 +ATOM 2680 HG3 ARG A 186 -12.860 -21.013 39.051 1.00136.00 H0 +ATOM 2681 HD2 ARG A 186 -14.001 -21.711 37.089 1.00133.14 H0 +ATOM 2682 HD3 ARG A 186 -13.851 -22.897 38.147 1.00133.14 H0 +ATOM 2683 HE ARG A 186 -16.086 -22.847 38.514 1.00129.96 H0 +ATOM 2684 HH11 ARG A 186 -15.377 -20.402 36.303 1.00131.83 H0 +ATOM 2685 HH12 ARG A 186 -16.864 -20.167 35.898 1.00131.83 H0 +ATOM 2686 HH21 ARG A 186 -18.183 -22.467 37.913 1.00112.93 H0 +ATOM 2687 HH22 ARG A 186 -18.514 -21.381 36.844 1.00112.93 H0 +ATOM 2688 N GLU A 187 -17.176 -19.676 41.082 1.00123.17 N0 +ATOM 2689 CA GLU A 187 -18.419 -19.028 40.592 1.00124.22 C0 +ATOM 2690 C GLU A 187 -19.399 -18.870 41.759 1.00125.29 C0 +ATOM 2691 O GLU A 187 -18.948 -18.886 42.915 1.00140.17 O0 +ATOM 2692 CB GLU A 187 -18.988 -19.827 39.420 1.00124.56 C0 +ATOM 2693 CG GLU A 187 -19.308 -18.949 38.224 1.00136.67 C0 +ATOM 2694 CD GLU A 187 -20.530 -18.066 38.409 1.00151.56 C0 +ATOM 2695 OE1 GLU A 187 -20.348 -16.840 38.587 1.00150.39 O0 +ATOM 2696 OE2 GLU A 187 -21.665 -18.609 38.385 1.00151.47 O0 +ATOM 2697 H GLU A 187 -17.240 -20.385 41.798 1.00123.17 H0 +ATOM 2698 HA GLU A 187 -18.190 -18.135 40.246 1.00124.22 H0 +ATOM 2699 HB2 GLU A 187 -18.333 -20.507 39.159 1.00124.56 H0 +ATOM 2700 HB3 GLU A 187 -19.803 -20.281 39.719 1.00124.56 H0 +ATOM 2701 HG2 GLU A 187 -18.534 -18.377 38.033 1.00136.67 H0 +ATOM 2702 HG3 GLU A 187 -19.450 -19.520 37.439 1.00136.67 H0 +ATOM 2703 N GLU A 188 -20.672 -18.672 41.419 1.00118.66 N0 +ATOM 2704 CA GLU A 188 -21.685 -18.355 42.442 1.00112.70 C0 +ATOM 2705 C GLU A 188 -22.875 -19.283 42.312 1.00 96.48 C0 +ATOM 2706 O GLU A 188 -23.170 -19.673 41.181 1.00107.44 O0 +ATOM 2707 CB GLU A 188 -22.223 -16.959 42.156 1.00121.64 C0 +ATOM 2708 CG GLU A 188 -21.162 -15.956 41.749 1.00129.68 C0 +ATOM 2709 CD GLU A 188 -21.714 -14.665 41.175 1.00133.94 C0 +ATOM 2710 OE1 GLU A 188 -22.929 -14.433 41.311 1.00129.41 O0 +ATOM 2711 OE2 GLU A 188 -20.928 -13.898 40.590 1.00130.17 O0 +ATOM 2712 H GLU A 188 -20.953 -18.738 40.451 1.00118.66 H0 +ATOM 2713 HA GLU A 188 -21.284 -18.490 43.331 1.00112.70 H0 +ATOM 2714 HB2 GLU A 188 -22.885 -17.021 41.436 1.00121.64 H0 +ATOM 2715 HB3 GLU A 188 -22.672 -16.627 42.961 1.00121.64 H0 +ATOM 2716 HG2 GLU A 188 -20.611 -15.741 42.532 1.00129.68 H0 +ATOM 2717 HG3 GLU A 188 -20.573 -16.369 41.082 1.00129.68 H0 +ATOM 2718 N LYS A 189 -23.503 -19.629 43.430 1.00 82.45 N0 +ATOM 2719 CA LYS A 189 -24.715 -20.487 43.437 1.00 90.94 C0 +ATOM 2720 C LYS A 189 -24.366 -21.903 42.979 1.00 78.22 C0 +ATOM 2721 O LYS A 189 -25.175 -22.800 43.194 1.00 81.29 O0 +ATOM 2722 CB LYS A 189 -25.839 -19.834 42.629 1.00 96.10 C0 +ATOM 2723 CG LYS A 189 -27.234 -20.354 42.942 1.00114.35 C0 +ATOM 2724 CD LYS A 189 -28.336 -19.605 42.239 1.00123.38 C0 +ATOM 2725 CE LYS A 189 -29.705 -20.159 42.567 1.00125.12 C0 +ATOM 2726 NZ LYS A 189 -30.783 -19.273 42.071 1.00129.32 N0 +ATOM 2727 H LYS A 189 -23.172 -19.267 44.313 1.00 82.45 H0 +ATOM 2728 HA LYS A 189 -25.058 -20.536 44.359 1.00 90.94 H0 +ATOM 2729 HB2 LYS A 189 -25.817 -18.867 42.788 1.00 96.10 H0 +ATOM 2730 HB3 LYS A 189 -25.656 -19.968 41.675 1.00 96.10 H0 +ATOM 2731 HG2 LYS A 189 -27.282 -21.298 42.680 1.00114.35 H0 +ATOM 2732 HG3 LYS A 189 -27.382 -20.290 43.910 1.00114.35 H0 +ATOM 2733 HD2 LYS A 189 -28.297 -18.660 42.499 1.00123.38 H0 +ATOM 2734 HD3 LYS A 189 -28.189 -19.655 41.270 1.00123.38 H0 +ATOM 2735 HE2 LYS A 189 -29.806 -21.042 42.163 1.00125.12 H0 +ATOM 2736 HE3 LYS A 189 -29.794 -20.260 43.534 1.00125.12 H0 +ATOM 2737 HZ1 LYS A 189 -30.707 -18.454 42.452 1.00129.32 H0 +ATOM 2738 HZ2 LYS A 189 -31.591 -19.628 42.278 1.00129.32 H0 +ATOM 2739 HZ3 LYS A 189 -30.719 -19.187 41.170 1.00129.32 H0 +ATOM 2740 N LEU A 190 -23.178 -22.089 42.429 1.00 74.15 N0 +ATOM 2741 CA LEU A 190 -22.751 -23.410 41.939 1.00 65.37 C0 +ATOM 2742 C LEU A 190 -22.173 -24.186 43.109 1.00 67.39 C0 +ATOM 2743 O LEU A 190 -21.455 -23.595 43.899 1.00 71.20 O0 +ATOM 2744 CB LEU A 190 -21.712 -23.198 40.839 1.00 69.32 C0 +ATOM 2745 CG LEU A 190 -21.890 -24.018 39.567 1.00 71.78 C0 +ATOM 2746 CD1 LEU A 190 -23.198 -23.673 38.884 1.00 67.89 C0 +ATOM 2747 CD2 LEU A 190 -20.728 -23.780 38.622 1.00 74.15 C0 +ATOM 2748 H LEU A 190 -22.548 -21.305 42.343 1.00 74.15 H0 +ATOM 2749 HA LEU A 190 -23.541 -23.885 41.592 1.00 65.37 H0 +ATOM 2750 HB2 LEU A 190 -21.716 -22.252 40.590 1.00 69.32 H0 +ATOM 2751 HB3 LEU A 190 -20.829 -23.401 41.207 1.00 69.32 H0 +ATOM 2752 HG LEU A 190 -21.897 -24.975 39.817 1.00 71.78 H0 +ATOM 2753 HD11 LEU A 190 -23.938 -23.862 39.486 1.00 67.89 H0 +ATOM 2754 HD12 LEU A 190 -23.292 -24.205 38.075 1.00 67.89 H0 +ATOM 2755 HD13 LEU A 190 -23.203 -22.728 38.651 1.00 67.89 H0 +ATOM 2756 HD21 LEU A 190 -20.687 -22.836 38.389 1.00 74.15 H0 +ATOM 2757 HD22 LEU A 190 -20.852 -24.309 37.815 1.00 74.15 H0 +ATOM 2758 HD23 LEU A 190 -19.898 -24.043 39.056 1.00 74.15 H0 +ATOM 2759 N PHE A 191 -22.553 -25.443 43.243 1.00 69.39 N0 +ATOM 2760 CA PHE A 191 -21.996 -26.338 44.291 1.00 65.05 C0 +ATOM 2761 C PHE A 191 -20.706 -26.978 43.779 1.00 66.29 C0 +ATOM 2762 O PHE A 191 -20.613 -27.237 42.591 1.00 67.99 O0 +ATOM 2763 CB PHE A 191 -23.004 -27.397 44.701 1.00 60.10 C0 +ATOM 2764 CG PHE A 191 -24.184 -26.858 45.453 1.00 65.78 C0 +ATOM 2765 CD1 PHE A 191 -24.040 -26.395 46.760 1.00 72.24 C0 +ATOM 2766 CD2 PHE A 191 -25.440 -26.819 44.861 1.00 64.98 C0 +ATOM 2767 CE1 PHE A 191 -25.133 -25.883 47.452 1.00 73.89 C0 +ATOM 2768 CE2 PHE A 191 -26.531 -26.314 45.557 1.00 75.00 C0 +ATOM 2769 CZ PHE A 191 -26.374 -25.835 46.846 1.00 75.24 C0 +ATOM 2770 H PHE A 191 -23.249 -25.804 42.606 1.00 69.39 H0 +ATOM 2771 HA PHE A 191 -21.780 -25.793 45.090 1.00 65.05 H0 +ATOM 2772 HB2 PHE A 191 -23.318 -27.855 43.893 1.00 60.10 H0 +ATOM 2773 HB3 PHE A 191 -22.545 -28.063 45.254 1.00 60.10 H0 +ATOM 2774 HD1 PHE A 191 -23.192 -26.422 47.173 1.00 72.24 H0 +ATOM 2775 HD2 PHE A 191 -25.553 -27.138 43.980 1.00 64.98 H0 +ATOM 2776 HE1 PHE A 191 -25.024 -25.572 48.337 1.00 73.89 H0 +ATOM 2777 HE2 PHE A 191 -27.379 -26.281 45.143 1.00 75.00 H0 +ATOM 2778 HZ PHE A 191 -27.115 -25.487 47.316 1.00 75.24 H0 +ATOM 2779 N ASN A 192 -19.713 -27.137 44.654 1.00 67.56 N0 +ATOM 2780 CA ASN A 192 -18.450 -27.855 44.358 1.00 60.81 C0 +ATOM 2781 C ASN A 192 -18.534 -29.170 45.113 1.00 60.52 C0 +ATOM 2782 O ASN A 192 -18.592 -29.131 46.346 1.00 63.97 O0 +ATOM 2783 CB ASN A 192 -17.189 -27.061 44.716 1.00 63.84 C0 +ATOM 2784 CG ASN A 192 -15.920 -27.763 44.263 1.00 67.34 C0 +ATOM 2785 OD1 ASN A 192 -15.397 -28.623 44.961 1.00 71.38 O0 +ATOM 2786 ND2 ASN A 192 -15.435 -27.430 43.084 1.00 66.43 N0 +ATOM 2787 H ASN A 192 -19.848 -26.736 45.571 1.00 67.56 H0 +ATOM 2788 HA ASN A 192 -18.403 -28.018 43.387 1.00 60.81 H0 +ATOM 2789 HB2 ASN A 192 -17.241 -26.178 44.297 1.00 63.84 H0 +ATOM 2790 HB3 ASN A 192 -17.161 -26.930 45.686 1.00 63.84 H0 +ATOM 2791 HD21 ASN A 192 -14.698 -27.815 42.784 1.00 66.43 H0 +ATOM 2792 HD22 ASN A 192 -15.846 -26.821 42.592 1.00 66.43 H0 +ATOM 2793 N VAL A 193 -18.613 -30.280 44.391 1.00 59.79 N0 +ATOM 2794 CA VAL A 193 -18.832 -31.618 45.008 1.00 56.21 C0 +ATOM 2795 C VAL A 193 -17.584 -32.484 44.817 1.00 59.60 C0 +ATOM 2796 O VAL A 193 -17.069 -32.603 43.682 1.00 56.14 O0 +ATOM 2797 CB VAL A 193 -20.090 -32.282 44.445 1.00 55.63 C0 +ATOM 2798 CG1 VAL A 193 -20.236 -33.702 44.945 1.00 58.17 C0 +ATOM 2799 CG2 VAL A 193 -21.332 -31.450 44.773 1.00 59.09 C0 +ATOM 2800 H VAL A 193 -18.521 -30.210 43.388 1.00 59.79 H0 +ATOM 2801 HA VAL A 193 -18.973 -31.496 45.964 1.00 56.21 H0 +ATOM 2802 HB VAL A 193 -19.991 -32.312 43.461 1.00 55.63 H0 +ATOM 2803 HG11 VAL A 193 -19.462 -34.224 44.670 1.00 58.17 H0 +ATOM 2804 HG12 VAL A 193 -21.043 -34.097 44.571 1.00 58.17 H0 +ATOM 2805 HG13 VAL A 193 -20.297 -33.700 45.916 1.00 58.17 H0 +ATOM 2806 HG21 VAL A 193 -21.423 -31.369 45.738 1.00 59.09 H0 +ATOM 2807 HG22 VAL A 193 -22.121 -31.886 44.407 1.00 59.09 H0 +ATOM 2808 HG23 VAL A 193 -21.242 -30.564 44.381 1.00 59.09 H0 +ATOM 2809 N THR A 194 -17.153 -33.086 45.920 1.00 62.08 N0 +ATOM 2810 CA THR A 194 -15.911 -33.879 46.072 1.00 59.33 C0 +ATOM 2811 C THR A 194 -16.344 -35.183 46.707 1.00 55.25 C0 +ATOM 2812 O THR A 194 -17.124 -35.124 47.645 1.00 65.25 O0 +ATOM 2813 CB THR A 194 -14.872 -33.101 46.892 1.00 62.86 C0 +ATOM 2814 OG1 THR A 194 -14.001 -32.562 45.909 1.00 63.94 O0 +ATOM 2815 CG2 THR A 194 -14.078 -33.915 47.889 1.00 78.15 C0 +ATOM 2816 H THR A 194 -17.762 -32.968 46.717 1.00 62.08 H0 +ATOM 2817 HA THR A 194 -15.539 -34.040 45.170 1.00 59.33 H0 +ATOM 2818 HB THR A 194 -15.343 -32.393 47.397 1.00 62.86 H0 +ATOM 2819 HG1 THR A 194 -13.396 -32.116 46.282 0.00 63.94 H0 +ATOM 2820 HG21 THR A 194 -14.693 -34.327 48.545 1.00 78.15 H0 +ATOM 2821 HG22 THR A 194 -13.441 -33.327 48.364 1.00 78.15 H0 +ATOM 2822 HG23 THR A 194 -13.579 -34.625 47.414 1.00 78.15 H0 +ATOM 2823 N SER A 195 -15.888 -36.304 46.175 1.00 53.33 N0 +ATOM 2824 CA SER A 195 -16.031 -37.602 46.858 1.00 56.88 C0 +ATOM 2825 C SER A 195 -14.711 -38.318 46.725 1.00 54.03 C0 +ATOM 2826 O SER A 195 -14.060 -38.159 45.679 1.00 54.56 O0 +ATOM 2827 CB SER A 195 -17.146 -38.426 46.346 1.00 61.08 C0 +ATOM 2828 OG SER A 195 -17.351 -39.520 47.223 1.00 63.74 O0 +ATOM 2829 H SER A 195 -15.429 -36.269 45.276 1.00 53.33 H0 +ATOM 2830 HA SER A 195 -16.218 -37.427 47.813 1.00 56.88 H0 +ATOM 2831 HB2 SER A 195 -17.963 -37.872 46.290 1.00 61.08 H0 +ATOM 2832 HB3 SER A 195 -16.923 -38.750 45.438 1.00 61.08 H0 +ATOM 2833 HG SER A 195 -17.985 -39.984 46.927 0.00 63.74 H0 +ATOM 2834 N THR A 196 -14.287 -38.941 47.814 1.00 58.53 N0 +ATOM 2835 CA THR A 196 -13.069 -39.778 47.816 1.00 62.67 C0 +ATOM 2836 C THR A 196 -13.460 -41.166 48.308 1.00 56.39 C0 +ATOM 2837 O THR A 196 -14.341 -41.264 49.164 1.00 60.56 O0 +ATOM 2838 CB THR A 196 -11.895 -39.165 48.587 1.00 62.37 C0 +ATOM 2839 OG1 THR A 196 -12.115 -39.569 49.927 1.00 85.65 O0 +ATOM 2840 CG2 THR A 196 -11.773 -37.664 48.439 1.00 58.33 C0 +ATOM 2841 H THR A 196 -14.815 -38.839 48.669 1.00 58.53 H0 +ATOM 2842 HA THR A 196 -12.739 -39.841 46.886 1.00 62.67 H0 +ATOM 2843 HB THR A 196 -11.058 -39.576 48.256 1.00 62.37 H0 +ATOM 2844 HG1 THR A 196 -11.504 -39.267 50.416 0.00 85.65 H0 +ATOM 2845 HG21 THR A 196 -11.644 -37.435 47.486 1.00 58.33 H0 +ATOM 2846 HG22 THR A 196 -10.997 -37.342 48.960 1.00 58.33 H0 +ATOM 2847 HG23 THR A 196 -12.597 -37.230 48.773 1.00 58.33 H0 +ATOM 2848 N LEU A 197 -12.859 -42.159 47.664 1.00 52.22 N0 +ATOM 2849 CA LEU A 197 -12.940 -43.604 47.927 1.00 59.09 C0 +ATOM 2850 C LEU A 197 -11.548 -44.040 48.407 1.00 64.47 C0 +ATOM 2851 O LEU A 197 -10.555 -43.800 47.668 1.00 59.28 O0 +ATOM 2852 CB LEU A 197 -13.287 -44.250 46.580 1.00 55.00 C0 +ATOM 2853 CG LEU A 197 -14.086 -45.549 46.564 1.00 58.85 C0 +ATOM 2854 CD1 LEU A 197 -13.568 -46.454 45.461 1.00 51.31 C0 +ATOM 2855 CD2 LEU A 197 -14.107 -46.258 47.904 1.00 63.47 C0 +ATOM 2856 H LEU A 197 -12.283 -41.828 46.903 1.00 52.22 H0 +ATOM 2857 HA LEU A 197 -13.605 -43.755 48.637 1.00 59.09 H0 +ATOM 2858 HB2 LEU A 197 -13.796 -43.604 46.051 1.00 55.00 H0 +ATOM 2859 HB3 LEU A 197 -12.453 -44.430 46.101 1.00 55.00 H0 +ATOM 2860 HG LEU A 197 -15.024 -45.329 46.341 1.00 58.85 H0 +ATOM 2861 HD11 LEU A 197 -13.662 -46.006 44.602 1.00 51.31 H0 +ATOM 2862 HD12 LEU A 197 -14.079 -47.282 45.454 1.00 51.31 H0 +ATOM 2863 HD13 LEU A 197 -12.629 -46.655 45.620 1.00 51.31 H0 +ATOM 2864 HD21 LEU A 197 -13.197 -46.477 48.170 1.00 63.47 H0 +ATOM 2865 HD22 LEU A 197 -14.630 -47.075 47.831 1.00 63.47 H0 +ATOM 2866 HD23 LEU A 197 -14.508 -45.676 48.573 1.00 63.47 H0 +ATOM 2867 N ARG A 198 -11.459 -44.613 49.604 1.00 71.55 N0 +ATOM 2868 CA ARG A 198 -10.228 -45.267 50.110 1.00 66.50 C0 +ATOM 2869 C ARG A 198 -10.425 -46.762 49.901 1.00 63.59 C0 +ATOM 2870 O ARG A 198 -11.412 -47.305 50.379 1.00 70.51 O0 +ATOM 2871 CB ARG A 198 -9.963 -44.899 51.570 1.00 73.99 C0 +ATOM 2872 CG ARG A 198 -9.468 -43.474 51.761 1.00 85.44 C0 +ATOM 2873 CD ARG A 198 -9.498 -43.051 53.214 1.00 99.00 C0 +ATOM 2874 NE ARG A 198 -8.253 -43.379 53.893 1.00113.93 N0 +ATOM 2875 CZ ARG A 198 -7.117 -42.690 53.783 1.00105.20 C0 +ATOM 2876 NH1 ARG A 198 -7.046 -41.628 52.993 1.00102.26 N0 +ATOM 2877 NH2 ARG A 198 -6.052 -43.076 54.465 1.00102.45 N0 +ATOM 2878 H ARG A 198 -12.282 -44.594 50.189 1.00 71.55 H0 +ATOM 2879 HA ARG A 198 -9.460 -44.945 49.576 1.00 66.50 H0 +ATOM 2880 HB2 ARG A 198 -10.800 -45.020 52.082 1.00 73.99 H0 +ATOM 2881 HB3 ARG A 198 -9.290 -45.525 51.935 1.00 73.99 H0 +ATOM 2882 HG2 ARG A 198 -8.542 -43.402 51.422 1.00 85.44 H0 +ATOM 2883 HG3 ARG A 198 -10.034 -42.858 51.233 1.00 85.44 H0 +ATOM 2884 HD2 ARG A 198 -9.657 -42.076 53.266 1.00 99.00 H0 +ATOM 2885 HD3 ARG A 198 -10.252 -43.501 53.668 1.00 99.00 H0 +ATOM 2886 HE ARG A 198 -8.244 -44.101 54.429 1.00113.93 H0 +ATOM 2887 HH11 ARG A 198 -7.769 -41.368 52.526 1.00102.26 H0 +ATOM 2888 HH12 ARG A 198 -6.275 -41.171 52.926 1.00102.26 H0 +ATOM 2889 HH21 ARG A 198 -6.099 -43.799 54.997 1.00102.45 H0 +ATOM 2890 HH22 ARG A 198 -5.284 -42.614 54.394 1.00102.45 H0 +ATOM 2891 N ILE A 199 -9.570 -47.384 49.118 1.00 62.17 N0 +ATOM 2892 CA ILE A 199 -9.728 -48.822 48.806 1.00 67.10 C0 +ATOM 2893 C ILE A 199 -8.346 -49.417 48.518 1.00 71.65 C0 +ATOM 2894 O ILE A 199 -7.455 -48.707 47.960 1.00 60.08 O0 +ATOM 2895 CB ILE A 199 -10.710 -49.008 47.638 1.00 69.75 C0 +ATOM 2896 CG1 ILE A 199 -11.115 -50.475 47.492 1.00 71.88 C0 +ATOM 2897 CG2 ILE A 199 -10.131 -48.443 46.342 1.00 68.46 C0 +ATOM 2898 CD1 ILE A 199 -12.456 -50.659 46.845 1.00 74.91 C0 +ATOM 2899 H ILE A 199 -8.792 -46.877 48.721 1.00 62.17 H0 +ATOM 2900 HA ILE A 199 -10.100 -49.267 49.588 1.00 67.10 H0 +ATOM 2901 HB ILE A 199 -11.525 -48.489 47.851 1.00 69.75 H0 +ATOM 2902 HG12 ILE A 199 -10.435 -50.937 46.957 1.00 71.88 H0 +ATOM 2903 HG13 ILE A 199 -11.129 -50.887 48.382 1.00 71.88 H0 +ATOM 2904 HG21 ILE A 199 -9.955 -47.492 46.449 1.00 68.46 H0 +ATOM 2905 HG22 ILE A 199 -10.768 -48.568 45.617 1.00 68.46 H0 +ATOM 2906 HG23 ILE A 199 -9.301 -48.903 46.126 1.00 68.46 H0 +ATOM 2907 HD11 ILE A 199 -13.139 -50.219 47.380 1.00 74.91 H0 +ATOM 2908 HD12 ILE A 199 -12.659 -51.608 46.779 1.00 74.91 H0 +ATOM 2909 HD13 ILE A 199 -12.444 -50.269 45.953 1.00 74.91 H0 +ATOM 2910 N ASN A 200 -8.183 -50.670 48.920 1.00 71.93 N0 +ATOM 2911 CA ASN A 200 -7.004 -51.492 48.572 1.00 76.96 C0 +ATOM 2912 C ASN A 200 -7.275 -52.021 47.165 1.00 75.12 C0 +ATOM 2913 O ASN A 200 -8.308 -52.663 46.944 1.00 73.39 O0 +ATOM 2914 CB ASN A 200 -6.734 -52.583 49.613 1.00 77.73 C0 +ATOM 2915 CG ASN A 200 -6.539 -52.037 51.016 1.00 77.09 C0 +ATOM 2916 OD1 ASN A 200 -5.923 -50.991 51.227 1.00 83.82 O0 +ATOM 2917 ND2 ASN A 200 -7.061 -52.751 51.994 1.00 88.65 N0 +ATOM 2918 H ASN A 200 -8.911 -51.071 49.494 1.00 71.93 H0 +ATOM 2919 HA ASN A 200 -6.206 -50.912 48.576 1.00 76.96 H0 +ATOM 2920 HB2 ASN A 200 -7.486 -53.210 49.617 1.00 77.73 H0 +ATOM 2921 HB3 ASN A 200 -5.932 -53.080 49.351 1.00 77.73 H0 +ATOM 2922 HD21 ASN A 200 -6.978 -52.481 52.832 1.00 88.65 H0 +ATOM 2923 HD22 ASN A 200 -7.494 -53.500 51.812 1.00 88.65 H0 +ATOM 2924 N THR A 201 -6.402 -51.679 46.235 1.00 73.12 N0 +ATOM 2925 CA THR A 201 -6.582 -51.989 44.812 1.00 71.81 C0 +ATOM 2926 C THR A 201 -5.210 -52.157 44.164 1.00 72.90 C0 +ATOM 2927 O THR A 201 -4.231 -51.680 44.762 1.00 71.65 O0 +ATOM 2928 CB THR A 201 -7.399 -50.876 44.152 1.00 75.23 C0 +ATOM 2929 OG1 THR A 201 -7.607 -51.289 42.804 1.00 73.61 O0 +ATOM 2930 CG2 THR A 201 -6.723 -49.524 44.214 1.00 74.08 C0 +ATOM 2931 H THR A 201 -5.574 -51.180 46.530 1.00 73.12 H0 +ATOM 2932 HA THR A 201 -7.073 -52.844 44.745 1.00 71.81 H0 +ATOM 2933 HB THR A 201 -8.271 -50.815 44.615 1.00 75.23 H0 +ATOM 2934 HG1 THR A 201 -8.054 -50.707 42.397 0.00 73.61 H0 +ATOM 2935 HG21 THR A 201 -6.581 -49.268 45.158 1.00 74.08 H0 +ATOM 2936 HG22 THR A 201 -7.295 -48.847 43.775 1.00 74.08 H0 +ATOM 2937 HG23 THR A 201 -5.851 -49.568 43.750 1.00 74.08 H0 +ATOM 2938 N THR A 202 -5.211 -52.724 42.953 1.00 72.26 N0 +ATOM 2939 CA THR A 202 -4.035 -53.092 42.131 1.00 81.71 C0 +ATOM 2940 C THR A 202 -4.060 -52.311 40.807 1.00 79.39 C0 +ATOM 2941 O THR A 202 -5.160 -51.968 40.330 1.00 80.63 O0 +ATOM 2942 CB THR A 202 -3.997 -54.618 41.938 1.00 82.24 C0 +ATOM 2943 OG1 THR A 202 -2.632 -54.959 42.159 1.00 93.74 O0 +ATOM 2944 CG2 THR A 202 -4.440 -55.125 40.579 1.00 83.69 C0 +ATOM 2945 H THR A 202 -6.138 -52.905 42.595 1.00 72.26 H0 +ATOM 2946 HA THR A 202 -3.220 -52.835 42.630 1.00 81.71 H0 +ATOM 2947 HB THR A 202 -4.590 -55.031 42.613 1.00 82.24 H0 +ATOM 2948 HG1 THR A 202 -2.531 -55.787 42.070 0.00 93.74 H0 +ATOM 2949 HG21 THR A 202 -5.376 -54.851 40.412 1.00 83.69 H0 +ATOM 2950 HG22 THR A 202 -4.380 -56.112 40.558 1.00 83.69 H0 +ATOM 2951 HG23 THR A 202 -3.856 -54.745 39.877 1.00 83.69 H0 +ATOM 2952 N THR A 203 -2.878 -52.086 40.230 1.00 67.60 N0 +ATOM 2953 CA THR A 203 -2.650 -51.477 38.897 1.00 70.95 C0 +ATOM 2954 C THR A 203 -3.639 -52.023 37.862 1.00 63.72 C0 +ATOM 2955 O THR A 203 -3.789 -53.248 37.790 1.00 63.96 O0 +ATOM 2956 CB THR A 203 -1.216 -51.729 38.424 1.00 72.53 C0 +ATOM 2957 OG1 THR A 203 -0.355 -51.328 39.494 1.00 65.44 O0 +ATOM 2958 CG2 THR A 203 -0.890 -50.982 37.144 1.00 76.68 C0 +ATOM 2959 H THR A 203 -2.083 -52.371 40.784 1.00 67.60 H0 +ATOM 2960 HA THR A 203 -2.802 -50.503 38.975 1.00 70.95 H0 +ATOM 2961 HB THR A 203 -1.107 -52.699 38.268 1.00 72.53 H0 +ATOM 2962 HG1 THR A 203 0.445 -51.451 39.273 0.00 65.44 H0 +ATOM 2963 HG21 THR A 203 -1.503 -51.274 36.425 1.00 76.68 H0 +ATOM 2964 HG22 THR A 203 0.042 -51.174 36.876 1.00 76.68 H0 +ATOM 2965 HG23 THR A 203 -0.996 -50.010 37.292 1.00 76.68 H0 +ATOM 2966 N ASN A 204 -4.253 -51.110 37.096 1.00 71.28 N0 +ATOM 2967 CA ASN A 204 -5.160 -51.341 35.932 1.00 73.70 C0 +ATOM 2968 C ASN A 204 -6.585 -51.703 36.367 1.00 66.49 C0 +ATOM 2969 O ASN A 204 -7.453 -51.805 35.481 1.00 66.50 O0 +ATOM 2970 CB ASN A 204 -4.614 -52.361 34.934 1.00 76.41 C0 +ATOM 2971 CG ASN A 204 -3.428 -51.807 34.179 1.00 87.97 C0 +ATOM 2972 OD1 ASN A 204 -3.461 -50.665 33.722 1.00 89.17 O0 +ATOM 2973 ND2 ASN A 204 -2.372 -52.594 34.066 1.00 88.59 N0 +ATOM 2974 H ASN A 204 -4.047 -50.163 37.379 1.00 71.28 H0 +ATOM 2975 HA ASN A 204 -5.215 -50.507 35.408 1.00 73.70 H0 +ATOM 2976 HB2 ASN A 204 -4.353 -53.171 35.418 1.00 76.41 H0 +ATOM 2977 HB3 ASN A 204 -5.326 -52.604 34.307 1.00 76.41 H0 +ATOM 2978 HD21 ASN A 204 -1.655 -52.312 33.633 1.00 88.59 H0 +ATOM 2979 HD22 ASN A 204 -2.383 -53.402 34.424 1.00 88.59 H0 +ATOM 2980 N GLU A 205 -6.857 -51.851 37.660 1.00 68.61 N0 +ATOM 2981 CA GLU A 205 -8.262 -51.980 38.110 1.00 78.09 C0 +ATOM 2982 C GLU A 205 -8.961 -50.649 37.800 1.00 75.72 C0 +ATOM 2983 O GLU A 205 -8.287 -49.538 37.804 1.00 60.29 O0 +ATOM 2984 CB GLU A 205 -8.362 -52.438 39.567 1.00 91.74 C0 +ATOM 2985 CG GLU A 205 -8.467 -53.951 39.702 1.00105.11 C0 +ATOM 2986 CD GLU A 205 -8.365 -54.460 41.133 1.00123.65 C0 +ATOM 2987 OE1 GLU A 205 -7.576 -55.411 41.367 1.00122.39 O0 +ATOM 2988 OE2 GLU A 205 -9.070 -53.901 42.016 1.00126.89 O0 +ATOM 2989 H GLU A 205 -6.116 -51.877 38.346 1.00 68.61 H0 +ATOM 2990 HA GLU A 205 -8.688 -52.707 37.600 1.00 78.09 H0 +ATOM 2991 HB2 GLU A 205 -7.567 -52.125 40.047 1.00 91.74 H0 +ATOM 2992 HB3 GLU A 205 -9.152 -52.022 39.971 1.00 91.74 H0 +ATOM 2993 HG2 GLU A 205 -9.324 -54.245 39.326 1.00105.11 H0 +ATOM 2994 HG3 GLU A 205 -7.756 -54.368 39.170 1.00105.11 H0 +ATOM 2995 N ILE A 206 -10.240 -50.765 37.449 1.00 65.79 N0 +ATOM 2996 CA ILE A 206 -11.093 -49.616 37.036 1.00 69.94 C0 +ATOM 2997 C ILE A 206 -12.151 -49.370 38.107 1.00 61.15 C0 +ATOM 2998 O ILE A 206 -12.791 -50.340 38.610 1.00 57.43 O0 +ATOM 2999 CB ILE A 206 -11.736 -49.830 35.652 1.00 69.07 C0 +ATOM 3000 CG1 ILE A 206 -10.675 -50.020 34.566 1.00 71.31 C0 +ATOM 3001 CG2 ILE A 206 -12.683 -48.683 35.313 1.00 68.46 C0 +ATOM 3002 CD1 ILE A 206 -11.213 -50.674 33.309 1.00 70.27 C0 +ATOM 3003 H ILE A 206 -10.639 -51.692 37.469 1.00 65.79 H0 +ATOM 3004 HA ILE A 206 -10.531 -48.823 36.972 1.00 69.94 H0 +ATOM 3005 HB ILE A 206 -12.274 -50.658 35.701 1.00 69.07 H0 +ATOM 3006 HG12 ILE A 206 -10.300 -49.143 34.335 1.00 71.31 H0 +ATOM 3007 HG13 ILE A 206 -9.949 -50.571 34.928 1.00 71.31 H0 +ATOM 3008 HG21 ILE A 206 -13.390 -48.634 35.979 1.00 68.46 H0 +ATOM 3009 HG22 ILE A 206 -13.082 -48.835 34.438 1.00 68.46 H0 +ATOM 3010 HG23 ILE A 206 -12.190 -47.844 35.302 1.00 68.46 H0 +ATOM 3011 HD11 ILE A 206 -11.569 -51.553 33.526 1.00 70.27 H0 +ATOM 3012 HD12 ILE A 206 -10.496 -50.768 32.658 1.00 70.27 H0 +ATOM 3013 HD13 ILE A 206 -11.921 -50.123 32.932 1.00 70.27 H0 +ATOM 3014 N PHE A 207 -12.355 -48.090 38.375 1.00 53.79 N0 +ATOM 3015 CA PHE A 207 -13.439 -47.571 39.230 1.00 60.95 C0 +ATOM 3016 C PHE A 207 -14.186 -46.493 38.457 1.00 59.07 C0 +ATOM 3017 O PHE A 207 -13.577 -45.819 37.582 1.00 60.05 O0 +ATOM 3018 CB PHE A 207 -12.854 -47.088 40.559 1.00 62.39 C0 +ATOM 3019 CG PHE A 207 -12.204 -48.194 41.344 1.00 59.55 C0 +ATOM 3020 CD1 PHE A 207 -10.866 -48.486 41.168 1.00 62.21 C0 +ATOM 3021 CD2 PHE A 207 -12.942 -48.980 42.213 1.00 65.70 C0 +ATOM 3022 CE1 PHE A 207 -10.275 -49.527 41.865 1.00 65.84 C0 +ATOM 3023 CE2 PHE A 207 -12.353 -50.037 42.894 1.00 67.81 C0 +ATOM 3024 CZ PHE A 207 -11.013 -50.298 42.733 1.00 61.99 C0 +ATOM 3025 H PHE A 207 -11.708 -47.440 37.952 1.00 53.79 H0 +ATOM 3026 HA PHE A 207 -14.064 -48.313 39.433 1.00 60.95 H0 +ATOM 3027 HB2 PHE A 207 -12.200 -46.383 40.371 1.00 62.39 H0 +ATOM 3028 HB3 PHE A 207 -13.574 -46.683 41.086 1.00 62.39 H0 +ATOM 3029 HD1 PHE A 207 -10.357 -47.986 40.549 1.00 62.21 H0 +ATOM 3030 HD2 PHE A 207 -13.858 -48.791 42.342 1.00 65.70 H0 +ATOM 3031 HE1 PHE A 207 -9.359 -49.717 41.736 1.00 65.84 H0 +ATOM 3032 HE2 PHE A 207 -12.866 -50.561 43.488 1.00 67.81 H0 +ATOM 3033 HZ PHE A 207 -10.601 -51.005 43.203 1.00 61.99 H0 +ATOM 3034 N TYR A 208 -15.472 -46.352 38.778 1.00 56.39 N0 +ATOM 3035 CA TYR A 208 -16.349 -45.278 38.248 1.00 52.82 C0 +ATOM 3036 C TYR A 208 -16.907 -44.453 39.395 1.00 48.99 C0 +ATOM 3037 O TYR A 208 -17.337 -45.015 40.426 1.00 53.09 O0 +ATOM 3038 CB TYR A 208 -17.493 -45.868 37.450 1.00 49.61 C0 +ATOM 3039 CG TYR A 208 -17.092 -46.843 36.378 1.00 55.44 C0 +ATOM 3040 CD1 TYR A 208 -16.649 -46.425 35.137 1.00 54.56 C0 +ATOM 3041 CD2 TYR A 208 -17.207 -48.203 36.601 1.00 62.25 C0 +ATOM 3042 CE1 TYR A 208 -16.313 -47.339 34.149 1.00 52.97 C0 +ATOM 3043 CE2 TYR A 208 -16.863 -49.129 35.635 1.00 56.73 C0 +ATOM 3044 CZ TYR A 208 -16.426 -48.695 34.402 1.00 58.71 C0 +ATOM 3045 OH TYR A 208 -16.132 -49.637 33.459 1.00 60.39 O0 +ATOM 3046 H TYR A 208 -15.856 -47.028 39.423 1.00 56.39 H0 +ATOM 3047 HA TYR A 208 -15.806 -44.681 37.672 1.00 52.82 H0 +ATOM 3048 HB2 TYR A 208 -18.103 -46.319 38.070 1.00 49.61 H0 +ATOM 3049 HB3 TYR A 208 -17.992 -45.134 37.034 1.00 49.61 H0 +ATOM 3050 HD1 TYR A 208 -16.595 -45.502 34.953 1.00 54.56 H0 +ATOM 3051 HD2 TYR A 208 -17.529 -48.505 37.434 1.00 62.25 H0 +ATOM 3052 HE1 TYR A 208 -16.012 -47.038 33.307 1.00 52.97 H0 +ATOM 3053 HE2 TYR A 208 -16.941 -50.052 35.809 1.00 56.73 H0 +ATOM 3054 HH TYR A 208 -15.882 -49.256 32.732 0.00 60.39 H0 +ATOM 3055 N CYS A 209 -16.878 -43.140 39.234 1.00 50.09 N0 +ATOM 3056 CA CYS A 209 -17.661 -42.225 40.082 1.00 51.50 C0 +ATOM 3057 C CYS A 209 -18.751 -41.595 39.212 1.00 59.17 C0 +ATOM 3058 O CYS A 209 -18.418 -40.989 38.167 1.00 55.22 O0 +ATOM 3059 CB CYS A 209 -16.783 -41.157 40.704 1.00 56.04 C0 +ATOM 3060 SG CYS A 209 -16.063 -40.069 39.470 1.00 70.40 S0 +ATOM 3061 H CYS A 209 -16.297 -42.757 38.502 1.00 50.09 H0 +ATOM 3062 HA CYS A 209 -18.082 -42.759 40.799 1.00 51.50 H0 +ATOM 3063 HB2 CYS A 209 -17.323 -40.621 41.335 1.00 56.04 H0 +ATOM 3064 HB3 CYS A 209 -16.058 -41.592 41.217 1.00 56.04 H0 +ATOM 3065 N THR A 210 -19.999 -41.688 39.661 1.00 58.76 N0 +ATOM 3066 CA THR A 210 -21.171 -41.102 38.973 1.00 58.43 C0 +ATOM 3067 C THR A 210 -21.730 -39.929 39.779 1.00 53.37 C0 +ATOM 3068 O THR A 210 -22.163 -40.152 40.920 1.00 50.65 O0 +ATOM 3069 CB THR A 210 -22.226 -42.188 38.776 1.00 59.80 C0 +ATOM 3070 OG1 THR A 210 -21.587 -43.065 37.851 1.00 49.32 O0 +ATOM 3071 CG2 THR A 210 -23.543 -41.657 38.253 1.00 60.34 C0 +ATOM 3072 H THR A 210 -20.137 -42.193 40.525 1.00 58.76 H0 +ATOM 3073 HA THR A 210 -20.870 -40.758 38.096 1.00 58.43 H0 +ATOM 3074 HB THR A 210 -22.387 -42.626 39.648 1.00 59.80 H0 +ATOM 3075 HG1 THR A 210 -22.096 -43.708 37.675 0.00 49.32 H0 +ATOM 3076 HG21 THR A 210 -23.912 -40.999 38.892 1.00 60.34 H0 +ATOM 3077 HG22 THR A 210 -24.183 -42.404 38.147 1.00 60.34 H0 +ATOM 3078 HG23 THR A 210 -23.400 -41.220 37.377 1.00 60.34 H0 +ATOM 3079 N PHE A 211 -21.762 -38.739 39.185 1.00 51.60 N0 +ATOM 3080 CA PHE A 211 -22.479 -37.576 39.765 1.00 56.19 C0 +ATOM 3081 C PHE A 211 -23.947 -37.630 39.323 1.00 51.26 C0 +ATOM 3082 O PHE A 211 -24.230 -37.670 38.130 1.00 57.57 O0 +ATOM 3083 CB PHE A 211 -21.815 -36.257 39.378 1.00 52.85 C0 +ATOM 3084 CG PHE A 211 -20.480 -36.006 40.025 1.00 52.54 C0 +ATOM 3085 CD1 PHE A 211 -19.350 -36.678 39.596 1.00 50.27 C0 +ATOM 3086 CD2 PHE A 211 -20.344 -35.068 41.035 1.00 58.15 C0 +ATOM 3087 CE1 PHE A 211 -18.113 -36.415 40.160 1.00 50.79 C0 +ATOM 3088 CE2 PHE A 211 -19.105 -34.812 41.605 1.00 62.15 C0 +ATOM 3089 CZ PHE A 211 -17.988 -35.477 41.157 1.00 54.26 C0 +ATOM 3090 H PHE A 211 -21.277 -38.630 38.306 1.00 51.60 H0 +ATOM 3091 HA PHE A 211 -22.441 -37.642 40.753 1.00 56.19 H0 +ATOM 3092 HB2 PHE A 211 -21.702 -36.241 38.405 1.00 52.85 H0 +ATOM 3093 HB3 PHE A 211 -22.422 -35.524 39.612 1.00 52.85 H0 +ATOM 3094 HD1 PHE A 211 -19.418 -37.300 38.890 1.00 50.27 H0 +ATOM 3095 HD2 PHE A 211 -21.105 -34.599 41.337 1.00 58.15 H0 +ATOM 3096 HE1 PHE A 211 -17.350 -36.882 39.857 1.00 50.79 H0 +ATOM 3097 HE2 PHE A 211 -19.025 -34.167 42.289 1.00 62.15 H0 +ATOM 3098 HZ PHE A 211 -17.142 -35.302 41.537 1.00 54.26 H0 +ATOM 3099 N ARG A 212 -24.840 -37.711 40.294 1.00 56.38 N0 +ATOM 3100 CA ARG A 212 -26.304 -37.869 40.103 1.00 66.27 C0 +ATOM 3101 C ARG A 212 -26.973 -36.681 40.793 1.00 59.36 C0 +ATOM 3102 O ARG A 212 -26.974 -36.634 42.036 1.00 63.76 O0 +ATOM 3103 CB ARG A 212 -26.745 -39.214 40.674 1.00 59.03 C0 +ATOM 3104 CG ARG A 212 -28.250 -39.407 40.739 1.00 73.96 C0 +ATOM 3105 CD ARG A 212 -28.604 -40.852 41.063 1.00 72.55 C0 +ATOM 3106 NE ARG A 212 -28.076 -41.760 40.045 1.00 80.69 N0 +ATOM 3107 CZ ARG A 212 -27.981 -43.089 40.170 1.00 77.25 C0 +ATOM 3108 NH1 ARG A 212 -28.327 -43.683 41.298 1.00 77.26 N0 +ATOM 3109 NH2 ARG A 212 -27.516 -43.824 39.176 1.00 71.72 N0 +ATOM 3110 H ARG A 212 -24.469 -37.658 41.232 1.00 56.38 H0 +ATOM 3111 HA ARG A 212 -26.498 -37.848 39.133 1.00 66.27 H0 +ATOM 3112 HB2 ARG A 212 -26.359 -39.934 40.117 1.00 59.03 H0 +ATOM 3113 HB3 ARG A 212 -26.376 -39.304 41.587 1.00 59.03 H0 +ATOM 3114 HG2 ARG A 212 -28.626 -38.810 41.432 1.00 73.96 H0 +ATOM 3115 HG3 ARG A 212 -28.649 -39.154 39.870 1.00 73.96 H0 +ATOM 3116 HD2 ARG A 212 -28.233 -41.087 41.949 1.00 72.55 H0 +ATOM 3117 HD3 ARG A 212 -29.587 -40.941 41.117 1.00 72.55 H0 +ATOM 3118 HE ARG A 212 -27.791 -41.403 39.271 1.00 80.69 H0 +ATOM 3119 HH11 ARG A 212 -28.629 -43.192 41.988 1.00 77.26 H0 +ATOM 3120 HH12 ARG A 212 -28.260 -44.576 41.372 1.00 77.26 H0 +ATOM 3121 HH21 ARG A 212 -27.261 -43.430 38.409 1.00 71.72 H0 +ATOM 3122 HH22 ARG A 212 -27.456 -44.716 39.269 1.00 71.72 H0 +ATOM 3123 N ARG A 213 -27.450 -35.715 40.015 1.00 60.04 N0 +ATOM 3124 CA ARG A 213 -28.115 -34.519 40.583 1.00 61.77 C0 +ATOM 3125 C ARG A 213 -29.363 -34.933 41.362 1.00 51.12 C0 +ATOM 3126 O ARG A 213 -29.979 -35.877 40.985 1.00 52.46 O0 +ATOM 3127 CB ARG A 213 -28.468 -33.533 39.483 1.00 67.59 C0 +ATOM 3128 CG ARG A 213 -27.938 -32.141 39.774 1.00 73.10 C0 +ATOM 3129 CD ARG A 213 -27.709 -31.324 38.524 1.00 73.47 C0 +ATOM 3130 NE ARG A 213 -28.696 -31.596 37.493 1.00 70.01 N0 +ATOM 3131 CZ ARG A 213 -28.941 -30.810 36.464 1.00 64.33 C0 +ATOM 3132 NH1 ARG A 213 -29.851 -31.171 35.576 1.00 67.06 N0 +ATOM 3133 NH2 ARG A 213 -28.275 -29.680 36.314 1.00 65.94 N0 +ATOM 3134 H ARG A 213 -27.357 -35.797 39.013 1.00 60.04 H0 +ATOM 3135 HA ARG A 213 -27.488 -34.079 41.208 1.00 61.77 H0 +ATOM 3136 HB2 ARG A 213 -28.091 -33.864 38.631 1.00 67.59 H0 +ATOM 3137 HB3 ARG A 213 -29.452 -33.505 39.390 1.00 67.59 H0 +ATOM 3138 HG2 ARG A 213 -28.581 -31.661 40.352 1.00 73.10 H0 +ATOM 3139 HG3 ARG A 213 -27.083 -32.214 40.265 1.00 73.10 H0 +ATOM 3140 HD2 ARG A 213 -27.737 -30.362 38.754 1.00 73.47 H0 +ATOM 3141 HD3 ARG A 213 -26.807 -31.519 38.168 1.00 73.47 H0 +ATOM 3142 HE ARG A 213 -29.175 -32.354 37.559 1.00 70.01 H0 +ATOM 3143 HH11 ARG A 213 -30.294 -31.946 35.679 1.00 67.06 H0 +ATOM 3144 HH12 ARG A 213 -30.024 -30.640 34.871 1.00 67.06 H0 +ATOM 3145 HH21 ARG A 213 -27.651 -29.445 36.917 1.00 65.94 H0 +ATOM 3146 HH22 ARG A 213 -28.448 -29.149 35.609 1.00 65.94 H0 +ATOM 3147 N LEU A 214 -29.698 -34.212 42.420 1.00 59.30 N0 +ATOM 3148 CA LEU A 214 -30.821 -34.519 43.344 1.00 71.02 C0 +ATOM 3149 C LEU A 214 -31.983 -33.538 43.108 1.00 66.62 C0 +ATOM 3150 O LEU A 214 -31.707 -32.317 43.148 1.00 73.30 O0 +ATOM 3151 CB LEU A 214 -30.272 -34.406 44.773 1.00 72.38 C0 +ATOM 3152 CG LEU A 214 -29.250 -35.481 45.166 1.00 78.84 C0 +ATOM 3153 CD1 LEU A 214 -28.404 -35.054 46.351 1.00 75.55 C0 +ATOM 3154 CD2 LEU A 214 -29.921 -36.802 45.472 1.00 70.02 C0 +ATOM 3155 H LEU A 214 -29.130 -33.394 42.590 1.00 59.30 H0 +ATOM 3156 HA LEU A 214 -31.140 -35.431 43.155 1.00 71.02 H0 +ATOM 3157 HB2 LEU A 214 -29.855 -33.527 44.874 1.00 72.38 H0 +ATOM 3158 HB3 LEU A 214 -31.025 -34.448 45.396 1.00 72.38 H0 +ATOM 3159 HG LEU A 214 -28.643 -35.622 44.398 1.00 78.84 H0 +ATOM 3160 HD11 LEU A 214 -27.919 -34.240 46.127 1.00 75.55 H0 +ATOM 3161 HD12 LEU A 214 -27.771 -35.760 46.569 1.00 75.55 H0 +ATOM 3162 HD13 LEU A 214 -28.980 -34.887 47.117 1.00 75.55 H0 +ATOM 3163 HD21 LEU A 214 -30.545 -36.686 46.210 1.00 70.02 H0 +ATOM 3164 HD22 LEU A 214 -29.247 -37.460 45.716 1.00 70.02 H0 +ATOM 3165 HD23 LEU A 214 -30.404 -37.110 44.686 1.00 70.02 H0 +ATOM 3166 N ASP A 215 -33.187 -34.054 42.794 1.00 70.33 N0 +ATOM 3167 CA ASP A 215 -34.518 -33.405 43.001 1.00 67.55 C0 +ATOM 3168 C ASP A 215 -35.484 -33.459 41.803 1.00 76.84 C0 +ATOM 3169 O ASP A 215 -36.652 -32.934 42.000 1.00 66.65 O0 +ATOM 3170 CB ASP A 215 -34.353 -31.985 43.541 1.00 74.61 C0 +ATOM 3171 CG ASP A 215 -34.594 -32.133 45.008 1.00 61.85 C0 +ATOM 3172 OD1 ASP A 215 -34.968 -33.290 45.300 1.00 51.17 O0 +ATOM 3173 OD2 ASP A 215 -34.548 -31.126 45.778 1.00 60.41 O0 +ATOM 3174 H ASP A 215 -33.147 -34.974 42.379 1.00 70.33 H0 +ATOM 3175 HA ASP A 215 -34.981 -33.870 43.737 1.00 67.55 H0 +ATOM 3176 HB2 ASP A 215 -33.445 -31.680 43.340 1.00 74.61 H0 +ATOM 3177 HB3 ASP A 215 -35.017 -31.409 43.109 1.00 74.61 H0 +ATOM 3178 N GLU A 218 -30.082 -36.699 35.793 1.00 72.34 N0 +ATOM 3179 CA GLU A 218 -28.949 -36.953 34.853 1.00 62.85 C0 +ATOM 3180 C GLU A 218 -27.733 -37.483 35.672 1.00 63.70 C0 +ATOM 3181 O GLU A 218 -27.619 -37.296 36.919 1.00 60.74 O0 +ATOM 3182 CB GLU A 218 -28.778 -35.717 33.950 1.00 69.86 C0 +ATOM 3183 CG GLU A 218 -28.306 -35.957 32.503 1.00 64.01 C0 +ATOM 3184 CD GLU A 218 -28.738 -37.223 31.791 1.00 67.09 C0 +ATOM 3185 OE1 GLU A 218 -27.882 -38.103 31.520 1.00 71.84 O0 +ATOM 3186 OE2 GLU A 218 -29.907 -37.326 31.479 1.00 87.80 O0 +ATOM 3187 H GLU A 218 -30.325 -35.821 35.760 1.00 72.34 H0 +ATOM 3188 HA GLU A 218 -29.236 -37.625 34.193 1.00 62.85 H0 +ATOM 3189 HB2 GLU A 218 -29.642 -35.261 33.879 1.00 69.86 H0 +ATOM 3190 HB3 GLU A 218 -28.111 -35.124 34.356 1.00 69.86 H0 +ATOM 3191 HG2 GLU A 218 -28.610 -35.212 31.942 1.00 64.01 H0 +ATOM 3192 HG3 GLU A 218 -27.325 -35.956 32.484 1.00 64.01 H0 +ATOM 3193 N ASN A 219 -26.933 -38.291 34.997 1.00 59.83 N0 +ATOM 3194 CA ASN A 219 -25.877 -39.166 35.551 1.00 56.13 C0 +ATOM 3195 C ASN A 219 -24.638 -38.897 34.707 1.00 53.87 C0 +ATOM 3196 O ASN A 219 -24.694 -39.069 33.478 1.00 54.61 O0 +ATOM 3197 CB ASN A 219 -26.259 -40.652 35.510 1.00 61.77 C0 +ATOM 3198 CG ASN A 219 -27.281 -41.043 36.564 1.00 67.07 C0 +ATOM 3199 OD1 ASN A 219 -26.929 -41.503 37.645 1.00 64.71 O0 +ATOM 3200 ND2 ASN A 219 -28.554 -40.839 36.287 1.00 73.00 N0 +ATOM 3201 H ASN A 219 -27.091 -38.281 34.000 1.00 59.83 H0 +ATOM 3202 HA ASN A 219 -25.718 -38.909 36.489 1.00 56.13 H0 +ATOM 3203 HB2 ASN A 219 -26.621 -40.862 34.625 1.00 61.77 H0 +ATOM 3204 HB3 ASN A 219 -25.451 -41.191 35.638 1.00 61.77 H0 +ATOM 3205 HD21 ASN A 219 -29.175 -41.055 36.878 1.00 73.00 H0 +ATOM 3206 HD22 ASN A 219 -28.787 -40.486 35.510 1.00 73.00 H0 +ATOM 3207 N HIS A 220 -23.600 -38.359 35.320 1.00 52.28 N0 +ATOM 3208 CA HIS A 220 -22.286 -38.163 34.655 1.00 55.43 C0 +ATOM 3209 C HIS A 220 -21.248 -39.013 35.375 1.00 55.24 C0 +ATOM 3210 O HIS A 220 -21.129 -38.891 36.619 1.00 58.83 O0 +ATOM 3211 CB HIS A 220 -21.888 -36.699 34.633 1.00 52.44 C0 +ATOM 3212 CG HIS A 220 -22.891 -35.865 33.937 1.00 55.86 C0 +ATOM 3213 ND1 HIS A 220 -22.774 -35.556 32.599 1.00 56.89 N0 +ATOM 3214 CD2 HIS A 220 -24.040 -35.321 34.374 1.00 56.63 C0 +ATOM 3215 CE1 HIS A 220 -23.803 -34.821 32.257 1.00 54.33 C0 +ATOM 3216 NE2 HIS A 220 -24.596 -34.694 33.319 1.00 55.38 N0 +ATOM 3217 H HIS A 220 -23.713 -38.071 36.282 1.00 52.28 H0 +ATOM 3218 HA HIS A 220 -22.364 -38.478 33.724 1.00 55.43 H0 +ATOM 3219 HB2 HIS A 220 -21.782 -36.386 35.559 1.00 52.44 H0 +ATOM 3220 HB3 HIS A 220 -21.018 -36.615 34.183 1.00 52.44 H0 +ATOM 3221 HD1 HIS A 220 -22.124 -35.817 32.073 0.00 56.89 H0 +ATOM 3222 HD2 HIS A 220 -24.395 -35.363 35.242 1.00 56.63 H0 +ATOM 3223 HE1 HIS A 220 -23.969 -34.473 31.397 1.00 54.33 H0 +ATOM 3224 HE2 HIS A 220 -25.349 -34.246 33.340 0.00 55.38 H0 +ATOM 3225 N THR A 221 -20.558 -39.831 34.594 1.00 53.45 N0 +ATOM 3226 CA THR A 221 -19.673 -40.912 35.043 1.00 54.83 C0 +ATOM 3227 C THR A 221 -18.272 -40.593 34.538 1.00 53.35 C0 +ATOM 3228 O THR A 221 -18.130 -40.132 33.406 1.00 52.26 O0 +ATOM 3229 CB THR A 221 -20.213 -42.248 34.541 1.00 58.65 C0 +ATOM 3230 OG1 THR A 221 -21.421 -42.460 35.256 1.00 58.86 O0 +ATOM 3231 CG2 THR A 221 -19.275 -43.406 34.781 1.00 67.29 C0 +ATOM 3232 H THR A 221 -20.674 -39.669 33.604 1.00 53.45 H0 +ATOM 3233 HA THR A 221 -19.674 -40.918 36.032 1.00 54.83 H0 +ATOM 3234 HB THR A 221 -20.374 -42.171 33.568 1.00 58.65 H0 +ATOM 3235 HG1 THR A 221 -21.765 -43.187 35.018 0.00 58.86 H0 +ATOM 3236 HG21 THR A 221 -18.419 -43.241 34.314 1.00 67.29 H0 +ATOM 3237 HG22 THR A 221 -19.681 -44.238 34.434 1.00 67.29 H0 +ATOM 3238 HG23 THR A 221 -19.108 -43.501 35.751 1.00 67.29 H0 +ATOM 3239 N ALA A 222 -17.283 -40.747 35.403 1.00 55.99 N0 +ATOM 3240 CA ALA A 222 -15.853 -40.752 35.033 1.00 50.00 C0 +ATOM 3241 C ALA A 222 -15.294 -42.129 35.367 1.00 54.29 C0 +ATOM 3242 O ALA A 222 -15.828 -42.778 36.310 1.00 55.34 O0 +ATOM 3243 CB ALA A 222 -15.111 -39.648 35.717 1.00 49.91 C0 +ATOM 3244 H ALA A 222 -17.541 -40.867 36.372 1.00 55.99 H0 +ATOM 3245 HA ALA A 222 -15.780 -40.594 34.062 1.00 50.00 H0 +ATOM 3246 HB1 ALA A 222 -14.177 -39.675 35.457 1.00 49.91 H0 +ATOM 3247 HB2 ALA A 222 -15.492 -38.794 35.461 1.00 49.91 H0 +ATOM 3248 HB3 ALA A 222 -15.181 -39.757 36.680 1.00 49.91 H0 +ATOM 3249 N GLU A 223 -14.312 -42.532 34.563 1.00 54.76 N0 +ATOM 3250 CA GLU A 223 -13.518 -43.782 34.636 1.00 61.25 C0 +ATOM 3251 C GLU A 223 -12.190 -43.468 35.321 1.00 57.71 C0 +ATOM 3252 O GLU A 223 -11.437 -42.592 34.815 1.00 60.25 O0 +ATOM 3253 CB GLU A 223 -13.252 -44.279 33.218 1.00 62.38 C0 +ATOM 3254 CG GLU A 223 -13.060 -45.772 33.118 1.00 81.44 C0 +ATOM 3255 CD GLU A 223 -12.763 -46.272 31.715 1.00 85.26 C0 +ATOM 3256 OE1 GLU A 223 -11.638 -46.032 31.237 1.00 84.12 O0 +ATOM 3257 OE2 GLU A 223 -13.663 -46.894 31.106 1.00 98.84 O0 +ATOM 3258 H GLU A 223 -14.120 -41.869 33.826 1.00 54.76 H0 +ATOM 3259 HA GLU A 223 -14.016 -44.437 35.177 1.00 61.25 H0 +ATOM 3260 HB2 GLU A 223 -14.009 -44.022 32.650 1.00 62.38 H0 +ATOM 3261 HB3 GLU A 223 -12.446 -43.836 32.878 1.00 62.38 H0 +ATOM 3262 HG2 GLU A 223 -12.322 -46.038 33.707 1.00 81.44 H0 +ATOM 3263 HG3 GLU A 223 -13.870 -46.219 33.444 1.00 81.44 H0 +ATOM 3264 N LEU A 224 -11.913 -44.118 36.446 1.00 58.00 N0 +ATOM 3265 CA LEU A 224 -10.596 -43.993 37.125 1.00 51.30 C0 +ATOM 3266 C LEU A 224 -9.865 -45.327 37.003 1.00 59.46 C0 +ATOM 3267 O LEU A 224 -10.437 -46.354 37.427 1.00 54.08 O0 +ATOM 3268 CB LEU A 224 -10.754 -43.569 38.586 1.00 51.75 C0 +ATOM 3269 CG LEU A 224 -11.009 -42.083 38.798 1.00 50.24 C0 +ATOM 3270 CD1 LEU A 224 -12.419 -41.724 38.322 1.00 62.01 C0 +ATOM 3271 CD2 LEU A 224 -10.861 -41.709 40.251 1.00 53.17 C0 +ATOM 3272 H LEU A 224 -12.621 -44.715 36.850 1.00 58.00 H0 +ATOM 3273 HA LEU A 224 -10.074 -43.293 36.668 1.00 51.30 H0 +ATOM 3274 HB2 LEU A 224 -11.496 -44.074 38.974 1.00 51.75 H0 +ATOM 3275 HB3 LEU A 224 -9.942 -43.821 39.069 1.00 51.75 H0 +ATOM 3276 HG LEU A 224 -10.331 -41.579 38.283 1.00 50.24 H0 +ATOM 3277 HD11 LEU A 224 -12.505 -41.933 37.376 1.00 62.01 H0 +ATOM 3278 HD12 LEU A 224 -12.576 -40.774 38.461 1.00 62.01 H0 +ATOM 3279 HD13 LEU A 224 -13.073 -42.237 38.828 1.00 62.01 H0 +ATOM 3280 HD21 LEU A 224 -11.500 -42.214 40.783 1.00 53.17 H0 +ATOM 3281 HD22 LEU A 224 -11.028 -40.756 40.360 1.00 53.17 H0 +ATOM 3282 HD23 LEU A 224 -9.958 -41.915 40.549 1.00 53.17 H0 +ATOM 3283 N VAL A 225 -8.673 -45.283 36.395 1.00 58.59 N0 +ATOM 3284 CA VAL A 225 -7.782 -46.455 36.151 1.00 59.32 C0 +ATOM 3285 C VAL A 225 -6.619 -46.333 37.133 1.00 57.44 C0 +ATOM 3286 O VAL A 225 -6.032 -45.230 37.214 1.00 55.53 O0 +ATOM 3287 CB VAL A 225 -7.285 -46.497 34.699 1.00 67.56 C0 +ATOM 3288 CG1 VAL A 225 -6.348 -47.678 34.469 1.00 71.46 C0 +ATOM 3289 CG2 VAL A 225 -8.453 -46.543 33.735 1.00 68.81 C0 +ATOM 3290 H VAL A 225 -8.378 -44.368 36.087 1.00 58.59 H0 +ATOM 3291 HA VAL A 225 -8.284 -47.268 36.341 1.00 59.32 H0 +ATOM 3292 HB VAL A 225 -6.785 -45.660 34.536 1.00 67.56 H0 +ATOM 3293 HG11 VAL A 225 -5.577 -47.601 35.058 1.00 71.46 H0 +ATOM 3294 HG12 VAL A 225 -6.049 -47.680 33.543 1.00 71.46 H0 +ATOM 3295 HG13 VAL A 225 -6.819 -48.508 34.659 1.00 71.46 H0 +ATOM 3296 HG21 VAL A 225 -8.986 -47.338 33.908 1.00 68.81 H0 +ATOM 3297 HG22 VAL A 225 -8.119 -46.569 32.821 1.00 68.81 H0 +ATOM 3298 HG23 VAL A 225 -9.005 -45.751 33.855 1.00 68.81 H0 +ATOM 3299 N ILE A 226 -6.409 -47.364 37.951 1.00 57.99 N0 +ATOM 3300 CA ILE A 226 -5.298 -47.384 38.941 1.00 63.21 C0 +ATOM 3301 C ILE A 226 -3.986 -47.463 38.164 1.00 59.38 C0 +ATOM 3302 O ILE A 226 -3.777 -48.371 37.355 1.00 62.18 O0 +ATOM 3303 CB ILE A 226 -5.420 -48.534 39.958 1.00 63.57 C0 +ATOM 3304 CG1 ILE A 226 -6.797 -48.552 40.624 1.00 65.44 C0 +ATOM 3305 CG2 ILE A 226 -4.304 -48.414 40.991 1.00 59.94 C0 +ATOM 3306 CD1 ILE A 226 -7.153 -47.249 41.305 1.00 57.97 C0 +ATOM 3307 H ILE A 226 -7.030 -48.158 37.892 1.00 57.99 H0 +ATOM 3308 HA ILE A 226 -5.320 -46.550 39.444 1.00 63.21 H0 +ATOM 3309 HB ILE A 226 -5.295 -49.381 39.463 1.00 63.57 H0 +ATOM 3310 HG12 ILE A 226 -7.474 -48.751 39.942 1.00 65.44 H0 +ATOM 3311 HG13 ILE A 226 -6.816 -49.274 41.287 1.00 65.44 H0 +ATOM 3312 HG21 ILE A 226 -3.440 -48.467 40.547 1.00 59.94 H0 +ATOM 3313 HG22 ILE A 226 -4.375 -49.140 41.635 1.00 59.94 H0 +ATOM 3314 HG23 ILE A 226 -4.377 -47.562 41.455 1.00 59.94 H0 +ATOM 3315 HD11 ILE A 226 -6.498 -47.053 41.997 1.00 57.97 H0 +ATOM 3316 HD12 ILE A 226 -8.036 -47.322 41.708 1.00 57.97 H0 +ATOM 3317 HD13 ILE A 226 -7.156 -46.529 40.650 1.00 57.97 H0 +ATOM 3318 N PRO A 227 -3.105 -46.468 38.358 1.00 58.01 N0 +ATOM 3319 CA PRO A 227 -1.780 -46.486 37.747 1.00 71.94 C0 +ATOM 3320 C PRO A 227 -0.777 -47.357 38.538 1.00 72.33 C0 +ATOM 3321 O PRO A 227 -1.084 -47.773 39.649 1.00 66.39 O0 +ATOM 3322 CB PRO A 227 -1.424 -44.982 37.742 1.00 65.99 C0 +ATOM 3323 CG PRO A 227 -2.101 -44.420 38.975 1.00 71.64 C0 +ATOM 3324 CD PRO A 227 -3.341 -45.270 39.187 1.00 64.18 C0 +ATOM 3325 HA PRO A 227 -1.852 -46.825 36.820 1.00 71.94 H0 +ATOM 3326 HB2 PRO A 227 -0.454 -44.850 37.782 1.00 65.99 H0 +ATOM 3327 HB3 PRO A 227 -1.754 -44.545 36.929 1.00 65.99 H0 +ATOM 3328 HG2 PRO A 227 -1.508 -44.473 39.753 1.00 71.64 H0 +ATOM 3329 HG3 PRO A 227 -2.344 -43.480 38.842 1.00 71.64 H0 +ATOM 3330 HD2 PRO A 227 -3.446 -45.504 40.133 1.00 64.18 H0 +ATOM 3331 HD3 PRO A 227 -4.146 -44.790 38.902 1.00 64.18 H0 +ATOM 3332 N GLU A 228 0.405 -47.600 37.951 1.00 81.17 N0 +ATOM 3333 CA GLU A 228 1.560 -48.240 38.634 1.00 78.28 C0 +ATOM 3334 C GLU A 228 1.913 -47.390 39.855 1.00 69.71 C0 +ATOM 3335 O GLU A 228 1.749 -46.133 39.793 1.00 63.95 O0 +ATOM 3336 CB GLU A 228 2.772 -48.379 37.707 1.00 90.15 C0 +ATOM 3337 CG GLU A 228 2.470 -49.132 36.417 1.00102.62 C0 +ATOM 3338 CD GLU A 228 3.190 -50.455 36.234 1.00108.08 C0 +ATOM 3339 OE1 GLU A 228 4.277 -50.436 35.634 1.00130.38 O0 +ATOM 3340 OE2 GLU A 228 2.670 -51.498 36.688 1.00 98.04 O0 +ATOM 3341 H GLU A 228 0.496 -47.323 36.984 1.00 81.17 H0 +ATOM 3342 HA GLU A 228 1.289 -49.140 38.928 1.00 78.28 H0 +ATOM 3343 HB2 GLU A 228 3.096 -47.482 37.481 1.00 90.15 H0 +ATOM 3344 HB3 GLU A 228 3.481 -48.852 38.190 1.00 90.15 H0 +ATOM 3345 HG2 GLU A 228 1.506 -49.309 36.370 1.00102.62 H0 +ATOM 3346 HG3 GLU A 228 2.700 -48.560 35.654 1.00102.62 H0 +ATOM 3347 N LEU A 229 2.372 -48.049 40.921 1.00 60.06 N0 +ATOM 3348 CA LEU A 229 2.943 -47.376 42.123 1.00 63.95 C0 +ATOM 3349 C LEU A 229 4.080 -46.478 41.653 1.00 62.12 C0 +ATOM 3350 O LEU A 229 4.924 -46.921 40.888 1.00 63.01 O0 +ATOM 3351 CB LEU A 229 3.473 -48.424 43.113 1.00 65.11 C0 +ATOM 3352 CG LEU A 229 2.494 -49.524 43.537 1.00 72.54 C0 +ATOM 3353 CD1 LEU A 229 3.203 -50.626 44.328 1.00 80.33 C0 +ATOM 3354 CD2 LEU A 229 1.346 -48.946 44.357 1.00 75.65 C0 +ATOM 3355 H LEU A 229 2.323 -49.058 40.898 1.00 60.06 H0 +ATOM 3356 HA LEU A 229 2.238 -46.826 42.537 1.00 63.95 H0 +ATOM 3357 HB2 LEU A 229 4.255 -48.855 42.715 1.00 65.11 H0 +ATOM 3358 HB3 LEU A 229 3.772 -47.960 43.921 1.00 65.11 H0 +ATOM 3359 HG LEU A 229 2.113 -49.927 42.718 1.00 72.54 H0 +ATOM 3360 HD11 LEU A 229 3.898 -51.025 43.776 1.00 80.33 H0 +ATOM 3361 HD12 LEU A 229 2.558 -51.308 44.584 1.00 80.33 H0 +ATOM 3362 HD13 LEU A 229 3.604 -50.244 45.128 1.00 80.33 H0 +ATOM 3363 HD21 LEU A 229 1.701 -48.518 45.155 1.00 75.65 H0 +ATOM 3364 HD22 LEU A 229 0.738 -49.661 44.614 1.00 75.65 H0 +ATOM 3365 HD23 LEU A 229 0.865 -48.289 43.824 1.00 75.65 H0 +ATOM 3366 N PRO A 230 4.157 -45.214 42.105 1.00 69.53 N0 +ATOM 3367 CA PRO A 230 5.253 -44.332 41.718 1.00 74.81 C0 +ATOM 3368 C PRO A 230 6.535 -44.804 42.422 1.00 70.36 C0 +ATOM 3369 O PRO A 230 6.441 -45.200 43.584 1.00 70.01 O0 +ATOM 3370 CB PRO A 230 4.780 -42.945 42.200 1.00 74.81 C0 +ATOM 3371 CG PRO A 230 3.950 -43.275 43.426 1.00 80.87 C0 +ATOM 3372 CD PRO A 230 3.266 -44.593 43.099 1.00 78.18 C0 +ATOM 3373 HA PRO A 230 5.354 -44.348 40.733 1.00 74.81 H0 +ATOM 3374 HB2 PRO A 230 5.543 -42.370 42.418 1.00 74.81 H0 +ATOM 3375 HB3 PRO A 230 4.251 -42.494 41.509 1.00 74.81 H0 +ATOM 3376 HG2 PRO A 230 4.519 -43.362 44.219 1.00 80.87 H0 +ATOM 3377 HG3 PRO A 230 3.291 -42.571 43.601 1.00 80.87 H0 +ATOM 3378 HD2 PRO A 230 3.177 -45.149 43.901 1.00 78.18 H0 +ATOM 3379 HD3 PRO A 230 2.369 -44.440 42.735 1.00 78.18 H0 +ATOM 3380 N LEU A 231 7.668 -44.768 41.712 1.00 68.12 N0 +ATOM 3381 CA LEU A 231 9.008 -45.229 42.187 1.00 72.11 C0 +ATOM 3382 C LEU A 231 9.793 -44.031 42.714 1.00 67.17 C0 +ATOM 3383 O LEU A 231 10.722 -44.270 43.489 1.00 73.89 O0 +ATOM 3384 CB LEU A 231 9.772 -45.946 41.068 1.00 78.89 C0 +ATOM 3385 CG LEU A 231 9.143 -47.245 40.546 1.00 82.65 C0 +ATOM 3386 CD1 LEU A 231 9.884 -47.741 39.314 1.00 77.76 C0 +ATOM 3387 CD2 LEU A 231 9.108 -48.329 41.620 1.00 81.52 C0 +ATOM 3388 H LEU A 231 7.579 -44.392 40.779 1.00 68.12 H0 +ATOM 3389 HA LEU A 231 8.875 -45.871 42.922 1.00 72.11 H0 +ATOM 3390 HB2 LEU A 231 9.865 -45.329 40.315 1.00 78.89 H0 +ATOM 3391 HB3 LEU A 231 10.671 -46.152 41.393 1.00 78.89 H0 +ATOM 3392 HG LEU A 231 8.209 -47.050 40.286 1.00 82.65 H0 +ATOM 3393 HD11 LEU A 231 9.840 -47.066 38.615 1.00 77.76 H0 +ATOM 3394 HD12 LEU A 231 9.473 -48.564 38.997 1.00 77.76 H0 +ATOM 3395 HD13 LEU A 231 10.815 -47.911 39.541 1.00 77.76 H0 +ATOM 3396 HD21 LEU A 231 10.015 -48.524 41.913 1.00 81.52 H0 +ATOM 3397 HD22 LEU A 231 8.703 -49.135 41.255 1.00 81.52 H0 +ATOM 3398 HD23 LEU A 231 8.583 -48.018 42.378 1.00 81.52 H0 +ATOM 3399 N ALA A 232 9.399 -42.802 42.341 1.00 67.87 N0 +ATOM 3400 CA ALA A 232 9.908 -41.537 42.915 1.00 68.15 C0 +ATOM 3401 C ALA A 232 9.022 -41.143 44.098 1.00 75.67 C0 +ATOM 3402 O ALA A 232 8.020 -40.435 43.840 1.00 79.22 O0 +ATOM 3403 CB ALA A 232 9.939 -40.448 41.878 1.00 71.37 C0 +ATOM 3404 H ALA A 232 8.701 -42.766 41.611 1.00 67.87 H0 +ATOM 3405 HA ALA A 232 10.827 -41.687 43.239 1.00 68.15 H0 +ATOM 3406 HB1 ALA A 232 10.276 -39.630 42.276 1.00 71.37 H0 +ATOM 3407 HB2 ALA A 232 10.519 -40.713 41.147 1.00 71.37 H0 +ATOM 3408 HB3 ALA A 232 9.041 -40.296 41.539 1.00 71.37 H0 +ATOM 3409 N HIS A 233 9.376 -41.631 45.304 1.00 70.65 N0 +ATOM 3410 CA HIS A 233 8.681 -41.438 46.613 1.00 75.19 C0 +ATOM 3411 C HIS A 233 9.717 -41.457 47.742 1.00 74.94 C0 +ATOM 3412 O HIS A 233 10.659 -42.247 47.696 1.00 73.69 O0 +ATOM 3413 CB HIS A 233 7.552 -42.474 46.824 1.00 74.75 C0 +ATOM 3414 CG HIS A 233 7.998 -43.901 46.947 1.00 93.45 C0 +ATOM 3415 ND1 HIS A 233 7.858 -44.817 45.911 1.00 99.24 N0 +ATOM 3416 CD2 HIS A 233 8.553 -44.587 47.974 1.00 94.66 C0 +ATOM 3417 CE1 HIS A 233 8.318 -45.995 46.290 1.00102.36 C0 +ATOM 3418 NE2 HIS A 233 8.760 -45.878 47.549 1.00 98.21 N0 +ATOM 3419 H HIS A 233 10.218 -42.188 45.271 1.00 70.65 H0 +ATOM 3420 HA HIS A 233 8.248 -40.552 46.601 1.00 75.19 H0 +ATOM 3421 HB2 HIS A 233 7.059 -42.242 47.642 1.00 74.75 H0 +ATOM 3422 HB3 HIS A 233 6.927 -42.419 46.067 1.00 74.75 H0 +ATOM 3423 HD1 HIS A 233 7.510 -44.645 45.126 0.00 99.24 H0 +ATOM 3424 HD2 HIS A 233 8.760 -44.245 48.824 1.00 94.66 H0 +ATOM 3425 HE1 HIS A 233 8.332 -46.775 45.763 1.00102.36 H0 +ATOM 3426 HE2 HIS A 233 9.113 -46.523 48.026 0.00 98.21 H0 +ATOM 3427 N PRO A 234 9.600 -40.585 48.779 1.00 81.99 N0 +ATOM 3428 CA PRO A 234 10.480 -40.648 49.952 1.00 88.88 C0 +ATOM 3429 C PRO A 234 10.224 -41.917 50.764 1.00 88.29 C0 +ATOM 3430 O PRO A 234 9.308 -42.665 50.436 1.00 82.31 O0 +ATOM 3431 CB PRO A 234 10.099 -39.402 50.780 1.00 84.36 C0 +ATOM 3432 CG PRO A 234 8.667 -39.108 50.372 1.00 85.46 C0 +ATOM 3433 CD PRO A 234 8.581 -39.527 48.915 1.00 82.03 C0 +ATOM 3434 HA PRO A 234 11.424 -40.617 49.655 1.00 88.88 H0 +ATOM 3435 HB2 PRO A 234 10.167 -39.584 51.741 1.00 84.36 H0 +ATOM 3436 HB3 PRO A 234 10.691 -38.649 50.574 1.00 84.36 H0 +ATOM 3437 HG2 PRO A 234 8.036 -39.617 50.923 1.00 85.46 H0 +ATOM 3438 HG3 PRO A 234 8.463 -38.155 50.477 1.00 85.46 H0 +ATOM 3439 HD2 PRO A 234 7.686 -39.863 48.701 1.00 82.03 H0 +ATOM 3440 HD3 PRO A 234 8.771 -38.770 48.322 1.00 82.03 H0 +ATOM 3441 N PRO A 235 11.011 -42.195 51.834 1.00108.17 N0 +ATOM 3442 CA PRO A 235 10.596 -43.142 52.879 1.00109.02 C0 +ATOM 3443 C PRO A 235 9.255 -42.758 53.537 1.00 96.93 C0 +ATOM 3444 O PRO A 235 8.709 -43.431 54.419 1.00103.86 O0 +ATOM 3445 CB PRO A 235 11.732 -43.084 53.922 1.00110.78 C0 +ATOM 3446 CG PRO A 235 12.924 -42.492 53.184 1.00106.90 C0 +ATOM 3447 CD PRO A 235 12.351 -41.632 52.075 1.00107.46 C0 +ATOM 3448 HA PRO A 235 10.520 -44.048 52.488 1.00109.02 H0 +ATOM 3449 HB2 PRO A 235 11.480 -42.523 54.685 1.00110.78 H0 +ATOM 3450 HB3 PRO A 235 11.942 -43.978 54.263 1.00110.78 H0 +ATOM 3451 HG2 PRO A 235 13.474 -41.950 53.788 1.00106.90 H0 +ATOM 3452 HG3 PRO A 235 13.490 -43.200 52.811 1.00106.90 H0 +ATOM 3453 HD2 PRO A 235 12.300 -40.693 52.352 1.00107.46 H0 +ATOM 3454 HD3 PRO A 235 12.909 -41.681 51.271 1.00107.46 H0 +TER 3455 PRO A 235 +ATOM 3456 N GLU V 1 -49.416 7.169 33.992 1.00115.27 N0 +ATOM 3457 CA GLU V 1 -50.050 7.949 32.881 1.00114.18 C0 +ATOM 3458 C GLU V 1 -49.469 9.370 32.850 1.00108.58 C0 +ATOM 3459 O GLU V 1 -49.212 9.928 33.924 1.00107.12 O0 +ATOM 3460 CB GLU V 1 -51.570 8.004 33.040 1.00113.21 C0 +ATOM 3461 CG GLU V 1 -52.288 8.433 31.776 1.00109.68 C0 +ATOM 3462 CD GLU V 1 -53.471 9.334 32.054 1.00118.77 C0 +ATOM 3463 OE1 GLU V 1 -53.955 9.989 31.107 1.00117.90 O0 +ATOM 3464 OE2 GLU V 1 -53.886 9.391 33.228 1.00109.25 O0 +ATOM 3465 H GLU V 1 -50.059 6.897 34.577 1.00115.27 H0 +ATOM 3466 HA GLU V 1 -49.859 7.492 32.030 1.00114.18 H0 +ATOM 3467 HB2 GLU V 1 -51.891 7.110 33.283 1.00113.21 H0 +ATOM 3468 HB3 GLU V 1 -51.787 8.648 33.746 1.00113.21 H0 +ATOM 3469 HG2 GLU V 1 -51.652 8.900 31.192 1.00109.68 H0 +ATOM 3470 HG3 GLU V 1 -52.593 7.633 31.296 1.00109.68 H0 +ATOM 3471 N VAL V 2 -49.274 9.916 31.644 1.00112.61 N0 +ATOM 3472 CA VAL V 2 -48.578 11.209 31.367 1.00100.63 C0 +ATOM 3473 C VAL V 2 -49.445 12.036 30.419 1.00 86.83 C0 +ATOM 3474 O VAL V 2 -50.087 11.447 29.532 1.00 79.79 O0 +ATOM 3475 CB VAL V 2 -47.182 10.988 30.756 1.00106.04 C0 +ATOM 3476 CG1 VAL V 2 -46.515 12.298 30.360 1.00113.48 C0 +ATOM 3477 CG2 VAL V 2 -46.276 10.200 31.687 1.00106.51 C0 +ATOM 3478 H VAL V 2 -49.643 9.380 30.872 1.00112.61 H0 +ATOM 3479 HA VAL V 2 -48.485 11.694 32.206 1.00100.63 H0 +ATOM 3480 HB VAL V 2 -47.303 10.452 29.933 1.00106.04 H0 +ATOM 3481 HG11 VAL V 2 -47.065 12.756 29.701 1.00113.48 H0 +ATOM 3482 HG12 VAL V 2 -45.638 12.114 29.980 1.00113.48 H0 +ATOM 3483 HG13 VAL V 2 -46.415 12.862 31.146 1.00113.48 H0 +ATOM 3484 HG21 VAL V 2 -46.169 10.685 32.524 1.00106.51 H0 +ATOM 3485 HG22 VAL V 2 -45.406 10.080 31.269 1.00106.51 H0 +ATOM 3486 HG23 VAL V 2 -46.672 9.329 31.865 1.00106.51 H0 +ATOM 3487 N GLN V 3 -49.463 13.351 30.631 1.00 77.15 N0 +ATOM 3488 CA GLN V 3 -50.117 14.343 29.742 1.00 76.16 C0 +ATOM 3489 C GLN V 3 -49.019 15.196 29.078 1.00 69.46 C0 +ATOM 3490 O GLN V 3 -48.036 15.544 29.730 1.00 69.59 O0 +ATOM 3491 CB GLN V 3 -51.118 15.181 30.543 1.00 86.39 C0 +ATOM 3492 CG GLN V 3 -52.476 14.516 30.745 1.00100.12 C0 +ATOM 3493 CD GLN V 3 -52.583 13.691 32.010 1.00113.28 C0 +ATOM 3494 OE1 GLN V 3 -51.626 13.059 32.473 1.00109.77 O0 +ATOM 3495 NE2 GLN V 3 -53.777 13.681 32.583 1.00111.32 N0 +ATOM 3496 H GLN V 3 -48.991 13.672 31.464 1.00 77.15 H0 +ATOM 3497 HA GLN V 3 -50.616 13.857 29.046 1.00 76.16 H0 +ATOM 3498 HB2 GLN V 3 -50.729 15.375 31.421 1.00 86.39 H0 +ATOM 3499 HB3 GLN V 3 -51.251 16.034 30.080 1.00 86.39 H0 +ATOM 3500 HG2 GLN V 3 -53.172 15.206 30.773 1.00100.12 H0 +ATOM 3501 HG3 GLN V 3 -52.664 13.928 29.982 1.00100.12 H0 +ATOM 3502 HE21 GLN V 3 -53.907 13.219 33.325 1.00111.32 H0 +ATOM 3503 HE22 GLN V 3 -54.444 14.137 32.224 1.00111.32 H0 +ATOM 3504 N LEU V 4 -49.174 15.481 27.793 1.00 69.36 N0 +ATOM 3505 CA LEU V 4 -48.276 16.353 27.003 1.00 64.28 C0 +ATOM 3506 C LEU V 4 -49.140 17.502 26.489 1.00 64.93 C0 +ATOM 3507 O LEU V 4 -50.221 17.228 25.958 1.00 59.14 O0 +ATOM 3508 CB LEU V 4 -47.653 15.532 25.870 1.00 62.07 C0 +ATOM 3509 CG LEU V 4 -46.822 14.323 26.314 1.00 62.65 C0 +ATOM 3510 CD1 LEU V 4 -46.451 13.470 25.119 1.00 67.60 C0 +ATOM 3511 CD2 LEU V 4 -45.563 14.752 27.038 1.00 61.31 C0 +ATOM 3512 H LEU V 4 -49.973 15.059 27.342 1.00 69.36 H0 +ATOM 3513 HA LEU V 4 -47.571 16.697 27.599 1.00 64.28 H0 +ATOM 3514 HB2 LEU V 4 -48.372 15.217 25.287 1.00 62.07 H0 +ATOM 3515 HB3 LEU V 4 -47.082 16.123 25.340 1.00 62.07 H0 +ATOM 3516 HG LEU V 4 -47.367 13.792 26.945 1.00 62.65 H0 +ATOM 3517 HD11 LEU V 4 -47.261 13.155 24.681 1.00 67.60 H0 +ATOM 3518 HD12 LEU V 4 -45.924 12.708 25.415 1.00 67.60 H0 +ATOM 3519 HD13 LEU V 4 -45.929 14.000 24.491 1.00 67.60 H0 +ATOM 3520 HD21 LEU V 4 -45.019 15.300 26.446 1.00 61.31 H0 +ATOM 3521 HD22 LEU V 4 -45.059 13.964 27.307 1.00 61.31 H0 +ATOM 3522 HD23 LEU V 4 -45.802 15.268 27.827 1.00 61.31 H0 +ATOM 3523 N VAL V 5 -48.746 18.737 26.775 1.00 58.67 N0 +ATOM 3524 CA VAL V 5 -49.489 19.934 26.299 1.00 61.62 C0 +ATOM 3525 C VAL V 5 -48.499 20.750 25.484 1.00 58.59 C0 +ATOM 3526 O VAL V 5 -47.434 21.140 26.043 1.00 53.57 O0 +ATOM 3527 CB VAL V 5 -50.109 20.722 27.467 1.00 73.56 C0 +ATOM 3528 CG1 VAL V 5 -51.048 21.806 26.957 1.00 74.36 C0 +ATOM 3529 CG2 VAL V 5 -50.851 19.791 28.422 1.00 67.14 C0 +ATOM 3530 H VAL V 5 -47.914 18.864 27.334 1.00 58.67 H0 +ATOM 3531 HA VAL V 5 -50.219 19.635 25.727 1.00 61.62 H0 +ATOM 3532 HB VAL V 5 -49.365 21.141 27.966 1.00 73.56 H0 +ATOM 3533 HG11 VAL V 5 -50.553 22.424 26.391 1.00 74.36 H0 +ATOM 3534 HG12 VAL V 5 -51.427 22.289 27.712 1.00 74.36 H0 +ATOM 3535 HG13 VAL V 5 -51.765 21.398 26.441 1.00 74.36 H0 +ATOM 3536 HG21 VAL V 5 -51.563 19.333 27.942 1.00 67.14 H0 +ATOM 3537 HG22 VAL V 5 -51.233 20.310 29.151 1.00 67.14 H0 +ATOM 3538 HG23 VAL V 5 -50.230 19.135 28.783 1.00 67.14 H0 +ATOM 3539 N GLU V 6 -48.751 20.807 24.179 1.00 66.37 N0 +ATOM 3540 CA GLU V 6 -47.924 21.577 23.220 1.00 62.43 C0 +ATOM 3541 C GLU V 6 -48.414 23.011 23.241 1.00 59.66 C0 +ATOM 3542 O GLU V 6 -49.629 23.231 23.414 1.00 57.30 O0 +ATOM 3543 CB GLU V 6 -48.044 21.068 21.788 1.00 62.45 C0 +ATOM 3544 CG GLU V 6 -47.654 19.630 21.652 1.00 57.95 C0 +ATOM 3545 CD GLU V 6 -48.844 18.706 21.596 1.00 63.11 C0 +ATOM 3546 OE1 GLU V 6 -49.880 19.034 22.232 1.00 65.63 O0 +ATOM 3547 OE2 GLU V 6 -48.740 17.682 20.878 1.00 59.02 O0 +ATOM 3548 H GLU V 6 -49.551 20.294 23.838 1.00 66.37 H0 +ATOM 3549 HA GLU V 6 -46.986 21.544 23.519 1.00 62.43 H0 +ATOM 3550 HB2 GLU V 6 -48.972 21.181 21.494 1.00 62.45 H0 +ATOM 3551 HB3 GLU V 6 -47.468 21.615 21.213 1.00 62.45 H0 +ATOM 3552 HG2 GLU V 6 -47.119 19.521 20.837 1.00 57.95 H0 +ATOM 3553 HG3 GLU V 6 -47.084 19.382 22.411 1.00 57.95 H0 +ATOM 3554 N SER V 7 -47.506 23.944 23.014 1.00 53.70 N0 +ATOM 3555 CA SER V 7 -47.863 25.368 22.848 1.00 55.20 C0 +ATOM 3556 C SER V 7 -46.868 26.053 21.897 1.00 49.55 C0 +ATOM 3557 O SER V 7 -45.771 25.488 21.696 1.00 48.27 O0 +ATOM 3558 CB SER V 7 -47.889 26.009 24.201 1.00 49.93 C0 +ATOM 3559 OG SER V 7 -46.571 26.013 24.722 1.00 62.39 O0 +ATOM 3560 H SER V 7 -46.536 23.669 22.953 1.00 53.70 H0 +ATOM 3561 HA SER V 7 -48.762 25.413 22.438 1.00 55.20 H0 +ATOM 3562 HB2 SER V 7 -48.233 26.932 24.119 1.00 49.93 H0 +ATOM 3563 HB3 SER V 7 -48.495 25.499 24.793 1.00 49.93 H0 +ATOM 3564 HG SER V 7 -46.585 26.372 25.480 0.00 62.39 H0 +ATOM 3565 N GLY V 8 -47.244 27.233 21.371 1.00 52.45 N0 +ATOM 3566 CA GLY V 8 -46.364 28.185 20.656 1.00 56.96 C0 +ATOM 3567 C GLY V 8 -46.759 28.322 19.200 1.00 57.64 C0 +ATOM 3568 O GLY V 8 -46.291 29.276 18.524 1.00 54.11 O0 +ATOM 3569 H GLY V 8 -48.221 27.461 21.492 1.00 52.45 H0 +ATOM 3570 HA2 GLY V 8 -46.418 29.069 21.098 1.00 56.96 H0 +ATOM 3571 HA3 GLY V 8 -45.428 27.868 20.716 1.00 56.96 H0 +ATOM 3572 N GLY V 9 -47.614 27.411 18.732 1.00 55.84 N0 +ATOM 3573 CA GLY V 9 -48.111 27.418 17.347 1.00 56.96 C0 +ATOM 3574 C GLY V 9 -48.730 28.754 17.000 1.00 52.80 C0 +ATOM 3575 O GLY V 9 -49.120 29.491 17.912 1.00 57.32 O0 +ATOM 3576 H GLY V 9 -47.938 26.678 19.347 1.00 55.84 H0 +ATOM 3577 HA2 GLY V 9 -47.358 27.227 16.733 1.00 56.96 H0 +ATOM 3578 HA3 GLY V 9 -48.783 26.699 17.241 1.00 56.96 H0 +ATOM 3579 N GLY V 10 -48.765 29.077 15.720 1.00 56.97 N0 +ATOM 3580 CA GLY V 10 -49.395 30.303 15.218 1.00 59.33 C0 +ATOM 3581 C GLY V 10 -48.929 30.618 13.821 1.00 58.74 C0 +ATOM 3582 O GLY V 10 -48.443 29.709 13.125 1.00 69.20 O0 +ATOM 3583 H GLY V 10 -48.334 28.441 15.065 1.00 56.97 H0 +ATOM 3584 HA2 GLY V 10 -50.378 30.187 15.225 1.00 59.33 H0 +ATOM 3585 HA3 GLY V 10 -49.169 31.053 15.823 1.00 59.33 H0 +ATOM 3586 N LEU V 11 -49.059 31.888 13.457 1.00 71.62 N0 +ATOM 3587 CA LEU V 11 -48.930 32.395 12.076 1.00 61.24 C0 +ATOM 3588 C LEU V 11 -47.576 33.076 11.982 1.00 59.74 C0 +ATOM 3589 O LEU V 11 -47.354 34.010 12.723 1.00 65.47 O0 +ATOM 3590 CB LEU V 11 -50.072 33.376 11.805 1.00 72.13 C0 +ATOM 3591 CG LEU V 11 -50.793 33.195 10.468 1.00 88.60 C0 +ATOM 3592 CD1 LEU V 11 -49.796 32.964 9.319 1.00 72.44 C0 +ATOM 3593 CD2 LEU V 11 -51.840 32.069 10.570 1.00 87.66 C0 +ATOM 3594 H LEU V 11 -49.262 32.538 14.203 1.00 71.62 H0 +ATOM 3595 HA LEU V 11 -48.964 31.629 11.458 1.00 61.24 H0 +ATOM 3596 HB2 LEU V 11 -50.728 33.290 12.525 1.00 72.13 H0 +ATOM 3597 HB3 LEU V 11 -49.712 34.285 11.842 1.00 72.13 H0 +ATOM 3598 HG LEU V 11 -51.264 34.038 10.257 1.00 88.60 H0 +ATOM 3599 HD11 LEU V 11 -49.200 33.730 9.248 1.00 72.44 H0 +ATOM 3600 HD12 LEU V 11 -50.283 32.852 8.484 1.00 72.44 H0 +ATOM 3601 HD13 LEU V 11 -49.273 32.163 9.499 1.00 72.44 H0 +ATOM 3602 HD21 LEU V 11 -51.398 31.235 10.808 1.00 87.66 H0 +ATOM 3603 HD22 LEU V 11 -52.290 31.966 9.714 1.00 87.66 H0 +ATOM 3604 HD23 LEU V 11 -52.494 32.295 11.254 1.00 87.66 H0 +ATOM 3605 N VAL V 12 -46.689 32.553 11.157 1.00 51.45 N0 +ATOM 3606 CA VAL V 12 -45.356 33.149 10.939 1.00 59.65 C0 +ATOM 3607 C VAL V 12 -45.161 33.188 9.423 1.00 63.85 C0 +ATOM 3608 O VAL V 12 -45.660 32.263 8.725 1.00 59.71 O0 +ATOM 3609 CB VAL V 12 -44.240 32.331 11.633 1.00 65.72 C0 +ATOM 3610 CG1 VAL V 12 -42.890 33.021 11.540 1.00 62.37 C0 +ATOM 3611 CG2 VAL V 12 -44.538 32.027 13.087 1.00 73.99 C0 +ATOM 3612 H VAL V 12 -46.940 31.711 10.658 1.00 51.45 H0 +ATOM 3613 HA VAL V 12 -45.362 34.055 11.296 1.00 59.65 H0 +ATOM 3614 HB VAL V 12 -44.178 31.462 11.164 1.00 65.72 H0 +ATOM 3615 HG11 VAL V 12 -42.647 33.135 10.605 1.00 62.37 H0 +ATOM 3616 HG12 VAL V 12 -42.216 32.479 11.986 1.00 62.37 H0 +ATOM 3617 HG13 VAL V 12 -42.940 33.892 11.970 1.00 62.37 H0 +ATOM 3618 HG21 VAL V 12 -44.640 32.860 13.579 1.00 73.99 H0 +ATOM 3619 HG22 VAL V 12 -43.805 31.513 13.468 1.00 73.99 H0 +ATOM 3620 HG23 VAL V 12 -45.361 31.512 13.149 1.00 73.99 H0 +ATOM 3621 N GLN V 13 -44.414 34.178 8.942 1.00 54.85 N0 +ATOM 3622 CA GLN V 13 -44.113 34.336 7.495 1.00 65.67 C0 +ATOM 3623 C GLN V 13 -42.792 33.642 7.186 1.00 54.98 C0 +ATOM 3624 O GLN V 13 -41.946 33.541 8.088 1.00 58.22 O0 +ATOM 3625 CB GLN V 13 -44.051 35.817 7.130 1.00 66.25 C0 +ATOM 3626 CG GLN V 13 -45.330 36.568 7.464 1.00 70.31 C0 +ATOM 3627 CD GLN V 13 -45.347 37.926 6.798 1.00 79.81 C0 +ATOM 3628 OE1 GLN V 13 -46.201 38.216 5.954 1.00 72.79 O0 +ATOM 3629 NE2 GLN V 13 -44.366 38.749 7.154 1.00 66.77 N0 +ATOM 3630 H GLN V 13 -44.039 34.847 9.599 1.00 54.85 H0 +ATOM 3631 HA GLN V 13 -44.831 33.903 6.978 1.00 65.67 H0 +ATOM 3632 HB2 GLN V 13 -43.300 36.225 7.609 1.00 66.25 H0 +ATOM 3633 HB3 GLN V 13 -43.870 35.894 6.170 1.00 66.25 H0 +ATOM 3634 HG2 GLN V 13 -46.101 36.041 7.164 1.00 70.31 H0 +ATOM 3635 HG3 GLN V 13 -45.397 36.674 8.437 1.00 70.31 H0 +ATOM 3636 HE21 GLN V 13 -44.318 39.558 6.802 1.00 66.77 H0 +ATOM 3637 HE22 GLN V 13 -43.761 38.487 7.743 1.00 66.77 H0 +ATOM 3638 N ALA V 14 -42.604 33.244 5.934 1.00 52.06 N0 +ATOM 3639 CA ALA V 14 -41.448 32.434 5.492 1.00 54.83 C0 +ATOM 3640 C ALA V 14 -40.170 33.210 5.826 1.00 52.07 C0 +ATOM 3641 O ALA V 14 -40.186 34.444 5.718 1.00 59.65 O0 +ATOM 3642 CB ALA V 14 -41.566 32.103 4.016 1.00 56.09 C0 +ATOM 3643 H ALA V 14 -43.301 33.519 5.256 1.00 52.06 H0 +ATOM 3644 HA ALA V 14 -41.452 31.583 5.991 1.00 54.83 H0 +ATOM 3645 HB1 ALA V 14 -40.802 31.573 3.740 1.00 56.09 H0 +ATOM 3646 HB2 ALA V 14 -42.381 31.600 3.860 1.00 56.09 H0 +ATOM 3647 HB3 ALA V 14 -41.591 32.926 3.499 1.00 56.09 H0 +ATOM 3648 N GLY V 15 -39.143 32.500 6.297 1.00 54.25 N0 +ATOM 3649 CA GLY V 15 -37.868 33.062 6.772 1.00 53.67 C0 +ATOM 3650 C GLY V 15 -37.929 33.394 8.246 1.00 51.06 C0 +ATOM 3651 O GLY V 15 -36.858 33.639 8.841 1.00 53.24 O0 +ATOM 3652 H GLY V 15 -39.278 31.499 6.318 1.00 54.25 H0 +ATOM 3653 HA2 GLY V 15 -37.145 32.406 6.608 1.00 53.67 H0 +ATOM 3654 HA3 GLY V 15 -37.663 33.881 6.255 1.00 53.67 H0 +ATOM 3655 N GLY V 16 -39.140 33.413 8.815 1.00 51.35 N0 +ATOM 3656 CA GLY V 16 -39.361 33.675 10.250 1.00 53.18 C0 +ATOM 3657 C GLY V 16 -38.927 32.522 11.158 1.00 54.46 C0 +ATOM 3658 O GLY V 16 -38.350 31.525 10.698 1.00 48.39 O0 +ATOM 3659 H GLY V 16 -39.936 33.237 8.218 1.00 51.35 H0 +ATOM 3660 HA2 GLY V 16 -38.857 34.486 10.512 1.00 53.18 H0 +ATOM 3661 HA3 GLY V 16 -40.324 33.848 10.402 1.00 53.18 H0 +ATOM 3662 N SER V 17 -39.234 32.618 12.440 1.00 51.80 N0 +ATOM 3663 CA SER V 17 -38.774 31.594 13.401 1.00 54.17 C0 +ATOM 3664 C SER V 17 -39.750 31.522 14.567 1.00 53.99 C0 +ATOM 3665 O SER V 17 -40.458 32.533 14.831 1.00 54.17 O0 +ATOM 3666 CB SER V 17 -37.353 31.865 13.823 1.00 55.47 C0 +ATOM 3667 OG SER V 17 -37.275 33.051 14.596 1.00 60.84 O0 +ATOM 3668 H SER V 17 -39.787 33.394 12.775 1.00 51.80 H0 +ATOM 3669 HA SER V 17 -38.772 30.719 12.939 1.00 54.17 H0 +ATOM 3670 HB2 SER V 17 -37.019 31.102 14.356 1.00 55.47 H0 +ATOM 3671 HB3 SER V 17 -36.785 31.959 13.019 1.00 55.47 H0 +ATOM 3672 HG SER V 17 -36.474 33.174 14.815 0.00 60.84 H0 +ATOM 3673 N LEU V 18 -39.834 30.356 15.199 1.00 50.89 N0 +ATOM 3674 CA LEU V 18 -40.591 30.211 16.467 1.00 55.63 C0 +ATOM 3675 C LEU V 18 -40.108 29.012 17.274 1.00 58.31 C0 +ATOM 3676 O LEU V 18 -39.480 28.096 16.689 1.00 54.50 O0 +ATOM 3677 CB LEU V 18 -42.106 30.142 16.223 1.00 60.33 C0 +ATOM 3678 CG LEU V 18 -42.689 29.109 15.256 1.00 65.51 C0 +ATOM 3679 CD1 LEU V 18 -41.796 27.930 15.035 1.00 81.62 C0 +ATOM 3680 CD2 LEU V 18 -44.059 28.624 15.714 1.00 69.83 C0 +ATOM 3681 H LEU V 18 -39.371 29.549 14.807 1.00 50.89 H0 +ATOM 3682 HA LEU V 18 -40.444 31.018 17.012 1.00 55.63 H0 +ATOM 3683 HB2 LEU V 18 -42.549 29.984 17.081 1.00 60.33 H0 +ATOM 3684 HB3 LEU V 18 -42.404 31.013 15.894 1.00 60.33 H0 +ATOM 3685 HG LEU V 18 -42.802 29.544 14.375 1.00 65.51 H0 +ATOM 3686 HD11 LEU V 18 -40.947 28.230 14.665 1.00 81.62 H0 +ATOM 3687 HD12 LEU V 18 -42.221 27.312 14.415 1.00 81.62 H0 +ATOM 3688 HD13 LEU V 18 -41.638 27.479 15.883 1.00 81.62 H0 +ATOM 3689 HD21 LEU V 18 -43.981 28.214 16.593 1.00 69.83 H0 +ATOM 3690 HD22 LEU V 18 -44.401 27.971 15.079 1.00 69.83 H0 +ATOM 3691 HD23 LEU V 18 -44.671 29.379 15.763 1.00 69.83 H0 +ATOM 3692 N ARG V 19 -40.413 29.045 18.577 1.00 54.27 N0 +ATOM 3693 CA ARG V 19 -40.141 27.952 19.548 1.00 52.92 C0 +ATOM 3694 C ARG V 19 -41.473 27.291 19.916 1.00 50.25 C0 +ATOM 3695 O ARG V 19 -42.428 27.977 20.310 1.00 47.25 O0 +ATOM 3696 CB ARG V 19 -39.387 28.554 20.728 1.00 49.35 C0 +ATOM 3697 CG ARG V 19 -38.725 27.552 21.649 1.00 54.60 C0 +ATOM 3698 CD ARG V 19 -38.576 28.102 23.058 1.00 49.67 C0 +ATOM 3699 NE ARG V 19 -37.508 29.079 23.102 1.00 52.17 N0 +ATOM 3700 CZ ARG V 19 -37.301 29.969 24.059 1.00 53.82 C0 +ATOM 3701 NH1 ARG V 19 -36.259 30.784 23.968 1.00 54.43 N0 +ATOM 3702 NH2 ARG V 19 -38.132 30.083 25.086 1.00 62.65 N0 +ATOM 3703 H ARG V 19 -40.862 29.890 18.900 1.00 54.27 H0 +ATOM 3704 HA ARG V 19 -39.555 27.284 19.113 1.00 52.92 H0 +ATOM 3705 HB2 ARG V 19 -38.688 29.161 20.378 1.00 49.35 H0 +ATOM 3706 HB3 ARG V 19 -40.019 29.094 21.263 1.00 49.35 H0 +ATOM 3707 HG2 ARG V 19 -39.267 26.725 21.675 1.00 54.60 H0 +ATOM 3708 HG3 ARG V 19 -37.833 27.320 21.291 1.00 54.60 H0 +ATOM 3709 HD2 ARG V 19 -39.430 28.514 23.338 1.00 49.67 H0 +ATOM 3710 HD3 ARG V 19 -38.386 27.357 23.680 1.00 49.67 H0 +ATOM 3711 HE ARG V 19 -36.922 29.093 22.420 1.00 52.17 H0 +ATOM 3712 HH11 ARG V 19 -35.705 30.726 23.262 1.00 54.43 H0 +ATOM 3713 HH12 ARG V 19 -36.109 31.392 24.613 1.00 54.43 H0 +ATOM 3714 HH21 ARG V 19 -38.853 29.548 25.140 1.00 62.65 H0 +ATOM 3715 HH22 ARG V 19 -37.972 30.695 25.725 1.00 62.65 H0 +ATOM 3716 N LEU V 20 -41.569 25.998 19.697 1.00 45.15 N0 +ATOM 3717 CA LEU V 20 -42.667 25.199 20.257 1.00 47.92 C0 +ATOM 3718 C LEU V 20 -42.231 24.722 21.641 1.00 52.31 C0 +ATOM 3719 O LEU V 20 -41.022 24.572 21.900 1.00 46.59 O0 +ATOM 3720 CB LEU V 20 -42.979 24.049 19.310 1.00 51.11 C0 +ATOM 3721 CG LEU V 20 -43.480 24.456 17.921 1.00 52.81 C0 +ATOM 3722 CD1 LEU V 20 -43.956 23.223 17.189 1.00 54.33 C0 +ATOM 3723 CD2 LEU V 20 -44.605 25.487 17.987 1.00 50.39 C0 +ATOM 3724 H LEU V 20 -40.869 25.543 19.129 1.00 45.15 H0 +ATOM 3725 HA LEU V 20 -43.461 25.775 20.341 1.00 47.92 H0 +ATOM 3726 HB2 LEU V 20 -42.169 23.511 19.202 1.00 51.11 H0 +ATOM 3727 HB3 LEU V 20 -43.656 23.481 19.729 1.00 51.11 H0 +ATOM 3728 HG LEU V 20 -42.727 24.872 17.433 1.00 52.81 H0 +ATOM 3729 HD11 LEU V 20 -43.220 22.593 17.101 1.00 54.33 H0 +ATOM 3730 HD12 LEU V 20 -44.277 23.474 16.305 1.00 54.33 H0 +ATOM 3731 HD13 LEU V 20 -44.679 22.807 17.690 1.00 54.33 H0 +ATOM 3732 HD21 LEU V 20 -45.356 25.116 18.481 1.00 50.39 H0 +ATOM 3733 HD22 LEU V 20 -44.889 25.715 17.085 1.00 50.39 H0 +ATOM 3734 HD23 LEU V 20 -44.285 26.288 18.437 1.00 50.39 H0 +ATOM 3735 N SER V 21 -43.188 24.576 22.538 1.00 53.66 N0 +ATOM 3736 CA SER V 21 -42.947 24.020 23.890 1.00 53.58 C0 +ATOM 3737 C SER V 21 -43.940 22.885 24.091 1.00 51.55 C0 +ATOM 3738 O SER V 21 -45.095 22.978 23.607 1.00 51.70 O0 +ATOM 3739 CB SER V 21 -43.089 25.074 24.940 1.00 51.16 C0 +ATOM 3740 OG SER V 21 -42.078 26.069 24.776 1.00 58.51 O0 +ATOM 3741 H SER V 21 -44.123 24.859 22.281 1.00 53.66 H0 +ATOM 3742 HA SER V 21 -42.026 23.661 23.914 1.00 53.58 H0 +ATOM 3743 HB2 SER V 21 -43.983 25.490 24.867 1.00 51.16 H0 +ATOM 3744 HB3 SER V 21 -43.008 24.658 25.834 1.00 51.16 H0 +ATOM 3745 HG SER V 21 -42.176 26.649 25.374 0.00 58.51 H0 +ATOM 3746 N CYS V 22 -43.499 21.841 24.765 1.00 53.47 N0 +ATOM 3747 CA CYS V 22 -44.389 20.782 25.258 1.00 59.04 C0 +ATOM 3748 C CYS V 22 -44.143 20.667 26.754 1.00 59.30 C0 +ATOM 3749 O CYS V 22 -42.962 20.458 27.120 1.00 53.11 O0 +ATOM 3750 CB CYS V 22 -44.093 19.480 24.535 1.00 68.27 C0 +ATOM 3751 SG CYS V 22 -45.101 18.080 25.091 1.00 74.89 S0 +ATOM 3752 H CYS V 22 -42.507 21.774 24.945 1.00 53.47 H0 +ATOM 3753 HA CYS V 22 -45.322 21.065 25.091 1.00 59.04 H0 +ATOM 3754 HB2 CYS V 22 -44.246 19.606 23.566 1.00 68.27 H0 +ATOM 3755 HB3 CYS V 22 -43.141 19.246 24.665 1.00 68.27 H0 +ATOM 3756 N ALA V 23 -45.194 20.864 27.555 1.00 57.40 N0 +ATOM 3757 CA ALA V 23 -45.174 20.643 29.023 1.00 60.85 C0 +ATOM 3758 C ALA V 23 -45.630 19.216 29.307 1.00 59.59 C0 +ATOM 3759 O ALA V 23 -46.793 18.893 28.944 1.00 65.90 O0 +ATOM 3760 CB ALA V 23 -46.070 21.627 29.719 1.00 53.38 C0 +ATOM 3761 H ALA V 23 -46.046 21.183 27.117 1.00 57.40 H0 +ATOM 3762 HA ALA V 23 -44.248 20.754 29.344 1.00 60.85 H0 +ATOM 3763 HB1 ALA V 23 -46.045 21.468 30.676 1.00 53.38 H0 +ATOM 3764 HB2 ALA V 23 -45.766 22.530 29.534 1.00 53.38 H0 +ATOM 3765 HB3 ALA V 23 -46.981 21.521 29.398 1.00 53.38 H0 +ATOM 3766 N ALA V 24 -44.750 18.395 29.880 1.00 61.30 N0 +ATOM 3767 CA ALA V 24 -45.074 17.005 30.307 1.00 78.99 C0 +ATOM 3768 C ALA V 24 -45.370 16.943 31.815 1.00 73.36 C0 +ATOM 3769 O ALA V 24 -44.469 17.191 32.623 1.00 76.70 O0 +ATOM 3770 CB ALA V 24 -43.949 16.065 29.937 1.00 78.23 C0 +ATOM 3771 H ALA V 24 -43.816 18.750 30.026 1.00 61.30 H0 +ATOM 3772 HA ALA V 24 -45.884 16.711 29.828 1.00 78.99 H0 +ATOM 3773 HB1 ALA V 24 -44.172 15.164 30.220 1.00 78.23 H0 +ATOM 3774 HB2 ALA V 24 -43.818 16.078 28.976 1.00 78.23 H0 +ATOM 3775 HB3 ALA V 24 -43.130 16.348 30.378 1.00 78.23 H0 +ATOM 3776 N SER V 25 -46.590 16.569 32.179 1.00 88.32 N0 +ATOM 3777 CA SER V 25 -47.016 16.312 33.580 1.00 95.82 C0 +ATOM 3778 C SER V 25 -47.234 14.802 33.789 1.00102.03 C0 +ATOM 3779 O SER V 25 -47.726 14.133 32.840 1.00 95.39 O0 +ATOM 3780 CB SER V 25 -48.261 17.095 33.868 1.00 91.30 C0 +ATOM 3781 OG SER V 25 -49.284 16.732 32.950 1.00 88.16 O0 +ATOM 3782 H SER V 25 -47.261 16.457 31.432 1.00 88.32 H0 +ATOM 3783 HA SER V 25 -46.287 16.606 34.181 1.00 95.82 H0 +ATOM 3784 HB2 SER V 25 -48.557 16.909 34.793 1.00 91.30 H0 +ATOM 3785 HB3 SER V 25 -48.065 18.061 33.789 1.00 91.30 H0 +ATOM 3786 HG SER V 25 -49.971 17.179 33.126 0.00 88.16 H0 +ATOM 3787 N GLY V 26 -46.883 14.279 34.974 1.00105.98 N0 +ATOM 3788 CA GLY V 26 -47.205 12.898 35.402 1.00102.88 C0 +ATOM 3789 C GLY V 26 -45.964 12.044 35.611 1.00 99.72 C0 +ATOM 3790 O GLY V 26 -44.952 12.585 36.093 1.00108.54 O0 +ATOM 3791 H GLY V 26 -46.367 14.881 35.600 1.00105.98 H0 +ATOM 3792 HA2 GLY V 26 -47.717 12.933 36.249 1.00102.88 H0 +ATOM 3793 HA3 GLY V 26 -47.776 12.472 34.715 1.00102.88 H0 +ATOM 3794 N SER V 27 -46.039 10.755 35.257 1.00114.14 N0 +ATOM 3795 CA SER V 27 -44.967 9.733 35.435 1.00124.00 C0 +ATOM 3796 C SER V 27 -43.907 9.878 34.329 1.00126.46 C0 +ATOM 3797 O SER V 27 -43.731 8.935 33.524 1.00121.34 O0 +ATOM 3798 CB SER V 27 -45.548 8.326 35.499 1.00121.47 C0 +ATOM 3799 OG SER V 27 -46.486 8.088 34.456 1.00115.27 O0 +ATOM 3800 H SER V 27 -46.914 10.482 34.834 1.00114.14 H0 +ATOM 3801 HA SER V 27 -44.527 9.898 36.305 1.00124.00 H0 +ATOM 3802 HB2 SER V 27 -44.815 7.666 35.425 1.00121.47 H0 +ATOM 3803 HB3 SER V 27 -46.000 8.198 36.369 1.00121.47 H0 +ATOM 3804 HG SER V 27 -46.777 7.305 34.532 0.00115.27 H0 +ATOM 3805 N ILE V 28 -43.214 11.020 34.315 1.00126.23 N0 +ATOM 3806 CA ILE V 28 -42.147 11.373 33.332 1.00124.23 C0 +ATOM 3807 C ILE V 28 -40.822 10.812 33.857 1.00120.38 C0 +ATOM 3808 O ILE V 28 -40.814 10.273 34.977 1.00130.21 O0 +ATOM 3809 CB ILE V 28 -42.069 12.901 33.081 1.00124.36 C0 +ATOM 3810 CG1 ILE V 28 -41.315 13.662 34.180 1.00126.41 C0 +ATOM 3811 CG2 ILE V 28 -43.450 13.492 32.829 1.00123.39 C0 +ATOM 3812 CD1 ILE V 28 -42.124 13.996 35.425 1.00124.89 C0 +ATOM 3813 H ILE V 28 -43.453 11.680 35.041 1.00126.23 H0 +ATOM 3814 HA ILE V 28 -42.358 10.945 32.483 1.00124.23 H0 +ATOM 3815 HB ILE V 28 -41.535 13.039 32.260 1.00124.36 H0 +ATOM 3816 HG12 ILE V 28 -40.542 13.127 34.459 1.00126.41 H0 +ATOM 3817 HG13 ILE V 28 -40.979 14.504 33.805 1.00126.41 H0 +ATOM 3818 HG21 ILE V 28 -43.847 13.073 32.046 1.00123.39 H0 +ATOM 3819 HG22 ILE V 28 -43.373 14.449 32.672 1.00123.39 H0 +ATOM 3820 HG23 ILE V 28 -44.019 13.336 33.603 1.00123.39 H0 +ATOM 3821 HD11 ILE V 28 -42.883 14.553 35.180 1.00124.89 H0 +ATOM 3822 HD12 ILE V 28 -41.563 14.475 36.059 1.00124.89 H0 +ATOM 3823 HD13 ILE V 28 -42.445 13.174 35.835 1.00124.89 H0 +ATOM 3824 N SER V 29 -39.745 10.974 33.088 1.00100.14 N0 +ATOM 3825 CA SER V 29 -38.367 10.550 33.444 1.00 97.47 C0 +ATOM 3826 C SER V 29 -37.379 11.119 32.423 1.00 84.41 C0 +ATOM 3827 O SER V 29 -37.741 11.201 31.245 1.00 82.35 O0 +ATOM 3828 CB SER V 29 -38.250 9.044 33.517 1.00 90.81 C0 +ATOM 3829 OG SER V 29 -36.912 8.670 33.830 1.00 93.68 O0 +ATOM 3830 H SER V 29 -39.908 11.423 32.198 1.00100.14 H0 +ATOM 3831 HA SER V 29 -38.150 10.927 34.332 1.00 97.47 H0 +ATOM 3832 HB2 SER V 29 -38.864 8.702 34.213 1.00 90.81 H0 +ATOM 3833 HB3 SER V 29 -38.511 8.653 32.647 1.00 90.81 H0 +ATOM 3834 HG SER V 29 -36.870 7.833 33.865 0.00 93.68 H0 +ATOM 3835 N SER V 30 -36.162 11.457 32.855 1.00 81.95 N0 +ATOM 3836 CA SER V 30 -35.057 11.876 31.954 1.00 92.40 C0 +ATOM 3837 C SER V 30 -34.597 10.688 31.089 1.00 93.25 C0 +ATOM 3838 O SER V 30 -33.818 10.929 30.149 1.00 99.08 O0 +ATOM 3839 CB SER V 30 -33.917 12.490 32.732 1.00 85.25 C0 +ATOM 3840 OG SER V 30 -33.158 11.493 33.387 1.00 85.99 O0 +ATOM 3841 H SER V 30 -35.998 11.421 33.851 1.00 81.95 H0 +ATOM 3842 HA SER V 30 -35.403 12.579 31.351 1.00 92.40 H0 +ATOM 3843 HB2 SER V 30 -33.332 12.993 32.113 1.00 85.25 H0 +ATOM 3844 HB3 SER V 30 -34.280 13.119 33.403 1.00 85.25 H0 +ATOM 3845 HG SER V 30 -32.535 11.866 33.808 0.00 85.99 H0 +ATOM 3846 N ARG V 31 -35.057 9.465 31.396 1.00 88.51 N0 +ATOM 3847 CA ARG V 31 -34.751 8.219 30.643 1.00 88.93 C0 +ATOM 3848 C ARG V 31 -35.754 8.066 29.481 1.00 90.97 C0 +ATOM 3849 O ARG V 31 -35.492 7.265 28.574 1.00 75.44 O0 +ATOM 3850 CB ARG V 31 -34.746 7.018 31.601 1.00 80.94 C0 +ATOM 3851 H ARG V 31 -35.656 9.415 32.207 1.00 88.51 H0 +ATOM 3852 HA ARG V 31 -33.839 8.295 30.268 1.00 88.93 H0 +ATOM 3853 HB2 ARG V 31 -34.517 6.205 31.086 1.00 80.94 H0 +ATOM 3854 HB3 ARG V 31 -34.038 7.158 32.277 0.00 80.94 H0 +ATOM 3855 N ASP V 32 -36.865 8.810 29.481 1.00 91.16 N0 +ATOM 3856 CA ASP V 32 -37.891 8.722 28.408 1.00 86.37 C0 +ATOM 3857 C ASP V 32 -37.331 9.363 27.134 1.00 81.24 C0 +ATOM 3858 O ASP V 32 -36.672 10.386 27.238 1.00 84.61 O0 +ATOM 3859 CB ASP V 32 -39.207 9.353 28.859 1.00 95.09 C0 +ATOM 3860 CG ASP V 32 -39.874 8.587 29.988 1.00103.62 C0 +ATOM 3861 OD1 ASP V 32 -39.306 7.558 30.405 1.00117.15 O0 +ATOM 3862 OD2 ASP V 32 -40.955 9.025 30.445 1.00104.98 O0 +ATOM 3863 H ASP V 32 -37.005 9.456 30.245 1.00 91.16 H0 +ATOM 3864 HA ASP V 32 -38.079 7.770 28.233 1.00 86.37 H0 +ATOM 3865 HB2 ASP V 32 -39.023 10.261 29.175 1.00 95.09 H0 +ATOM 3866 HB3 ASP V 32 -39.821 9.367 28.097 1.00 95.09 H0 +ATOM 3867 N VAL V 33 -37.564 8.773 25.965 1.00 74.72 N0 +ATOM 3868 CA VAL V 33 -37.187 9.445 24.689 1.00 76.01 C0 +ATOM 3869 C VAL V 33 -38.379 10.283 24.239 1.00 64.05 C0 +ATOM 3870 O VAL V 33 -39.534 9.860 24.444 1.00 64.02 O0 +ATOM 3871 CB VAL V 33 -36.654 8.485 23.609 1.00 75.55 C0 +ATOM 3872 CG1 VAL V 33 -36.590 7.042 24.072 1.00 74.92 C0 +ATOM 3873 CG2 VAL V 33 -37.384 8.612 22.295 1.00 75.57 C0 +ATOM 3874 H VAL V 33 -37.999 7.862 25.932 1.00 74.72 H0 +ATOM 3875 HA VAL V 33 -36.431 10.034 24.863 1.00 76.01 H0 +ATOM 3876 HB VAL V 33 -35.710 8.728 23.441 1.00 75.55 H0 +ATOM 3877 HG11 VAL V 33 -36.000 6.974 24.843 1.00 74.92 H0 +ATOM 3878 HG12 VAL V 33 -36.248 6.484 23.352 1.00 74.92 H0 +ATOM 3879 HG13 VAL V 33 -37.481 6.740 24.319 1.00 74.92 H0 +ATOM 3880 HG21 VAL V 33 -38.327 8.414 22.427 1.00 75.57 H0 +ATOM 3881 HG22 VAL V 33 -37.007 7.986 21.652 1.00 75.57 H0 +ATOM 3882 HG23 VAL V 33 -37.288 9.519 21.957 1.00 75.57 H0 +ATOM 3883 N MET V 34 -38.119 11.477 23.720 1.00 63.86 N0 +ATOM 3884 CA MET V 34 -39.221 12.389 23.304 1.00 61.82 C0 +ATOM 3885 C MET V 34 -39.005 12.877 21.871 1.00 60.40 C0 +ATOM 3886 O MET V 34 -37.868 12.861 21.336 1.00 56.00 O0 +ATOM 3887 CB MET V 34 -39.359 13.588 24.240 1.00 64.86 C0 +ATOM 3888 CG MET V 34 -39.421 13.223 25.740 1.00 62.49 C0 +ATOM 3889 SD MET V 34 -39.770 14.718 26.709 1.00 62.68 S0 +ATOM 3890 CE MET V 34 -41.534 14.750 26.444 1.00 55.29 C0 +ATOM 3891 H MET V 34 -37.161 11.776 23.603 1.00 63.86 H0 +ATOM 3892 HA MET V 34 -40.069 11.888 23.333 1.00 61.82 H0 +ATOM 3893 HB2 MET V 34 -38.598 14.185 24.098 1.00 64.86 H0 +ATOM 3894 HB3 MET V 34 -40.174 14.076 24.006 1.00 64.86 H0 +ATOM 3895 HG2 MET V 34 -40.122 12.551 25.880 1.00 62.49 H0 +ATOM 3896 HG3 MET V 34 -38.565 12.829 26.012 1.00 62.49 H0 +ATOM 3897 HE1 MET V 34 -41.912 15.505 26.901 1.00 55.29 H0 +ATOM 3898 HE2 MET V 34 -41.714 14.821 25.504 1.00 55.29 H0 +ATOM 3899 HE3 MET V 34 -41.925 13.937 26.787 1.00 55.29 H0 +ATOM 3900 N ARG V 35 -40.102 13.290 21.264 1.00 54.39 N0 +ATOM 3901 CA ARG V 35 -40.138 13.543 19.820 1.00 55.16 C0 +ATOM 3902 C ARG V 35 -41.156 14.623 19.508 1.00 55.11 C0 +ATOM 3903 O ARG V 35 -42.083 14.846 20.306 1.00 62.59 O0 +ATOM 3904 CB ARG V 35 -40.497 12.264 19.069 1.00 53.09 C0 +ATOM 3905 CG ARG V 35 -39.429 11.190 19.186 1.00 66.27 C0 +ATOM 3906 CD ARG V 35 -39.737 9.964 18.348 1.00 61.19 C0 +ATOM 3907 NE ARG V 35 -38.556 9.118 18.243 1.00 61.79 N0 +ATOM 3908 CZ ARG V 35 -38.581 7.827 17.872 1.00 61.74 C0 +ATOM 3909 NH1 ARG V 35 -37.445 7.151 17.820 1.00 63.82 N0 +ATOM 3910 NH2 ARG V 35 -39.726 7.236 17.537 1.00 53.13 N0 +ATOM 3911 H ARG V 35 -40.939 13.435 21.810 1.00 54.39 H0 +ATOM 3912 HA ARG V 35 -39.246 13.861 19.535 1.00 55.16 H0 +ATOM 3913 HB2 ARG V 35 -41.351 11.918 19.427 1.00 53.09 H0 +ATOM 3914 HB3 ARG V 35 -40.635 12.487 18.115 1.00 53.09 H0 +ATOM 3915 HG2 ARG V 35 -38.559 11.562 18.898 1.00 66.27 H0 +ATOM 3916 HG3 ARG V 35 -39.344 10.916 20.132 1.00 66.27 H0 +ATOM 3917 HD2 ARG V 35 -40.482 9.464 18.765 1.00 61.19 H0 +ATOM 3918 HD3 ARG V 35 -40.035 10.251 17.450 1.00 61.19 H0 +ATOM 3919 HE ARG V 35 -37.758 9.483 18.439 1.00 61.79 H0 +ATOM 3920 HH11 ARG V 35 -36.672 7.558 18.032 1.00 63.82 H0 +ATOM 3921 HH12 ARG V 35 -37.449 6.287 17.573 1.00 63.82 H0 +ATOM 3922 HH21 ARG V 35 -40.494 7.703 17.558 1.00 53.13 H0 +ATOM 3923 HH22 ARG V 35 -39.728 6.371 17.291 1.00 53.13 H0 +ATOM 3924 N TRP V 36 -40.932 15.238 18.355 1.00 52.16 N0 +ATOM 3925 CA TRP V 36 -41.859 16.110 17.617 1.00 52.24 C0 +ATOM 3926 C TRP V 36 -42.167 15.426 16.289 1.00 47.18 C0 +ATOM 3927 O TRP V 36 -41.230 15.099 15.567 1.00 52.84 O0 +ATOM 3928 CB TRP V 36 -41.184 17.457 17.392 1.00 53.20 C0 +ATOM 3929 CG TRP V 36 -41.048 18.275 18.622 1.00 46.83 C0 +ATOM 3930 CD1 TRP V 36 -39.937 18.508 19.372 1.00 49.90 C0 +ATOM 3931 CD2 TRP V 36 -42.098 19.023 19.215 1.00 43.75 C0 +ATOM 3932 NE1 TRP V 36 -40.236 19.344 20.414 1.00 45.41 N0 +ATOM 3933 CE2 TRP V 36 -41.565 19.641 20.359 1.00 44.62 C0 +ATOM 3934 CE3 TRP V 36 -43.448 19.154 18.924 1.00 52.38 C0 +ATOM 3935 CZ2 TRP V 36 -42.330 20.446 21.185 1.00 45.73 C0 +ATOM 3936 CZ3 TRP V 36 -44.200 19.973 19.727 1.00 53.67 C0 +ATOM 3937 CH2 TRP V 36 -43.644 20.600 20.841 1.00 45.95 C0 +ATOM 3938 H TRP V 36 -40.013 15.063 17.975 1.00 52.16 H0 +ATOM 3939 HA TRP V 36 -42.684 16.199 18.150 1.00 52.24 H0 +ATOM 3940 HB2 TRP V 36 -40.294 17.295 17.017 1.00 53.20 H0 +ATOM 3941 HB3 TRP V 36 -41.708 17.957 16.733 1.00 53.20 H0 +ATOM 3942 HD1 TRP V 36 -39.076 18.161 19.192 1.00 49.90 H0 +ATOM 3943 HE1 TRP V 36 -39.666 19.623 21.020 1.00 45.41 H0 +ATOM 3944 HE3 TRP V 36 -43.815 18.742 18.158 1.00 52.38 H0 +ATOM 3945 HZ2 TRP V 36 -41.968 20.868 21.946 1.00 45.73 H0 +ATOM 3946 HZ3 TRP V 36 -45.121 20.079 19.550 1.00 53.67 H0 +ATOM 3947 HH2 TRP V 36 -44.185 21.156 21.373 1.00 45.95 H0 +ATOM 3948 N TYR V 37 -43.438 15.194 16.039 1.00 50.42 N0 +ATOM 3949 CA TYR V 37 -44.025 14.739 14.767 1.00 54.68 C0 +ATOM 3950 C TYR V 37 -44.840 15.907 14.223 1.00 62.96 C0 +ATOM 3951 O TYR V 37 -45.218 16.798 15.041 1.00 55.03 O0 +ATOM 3952 CB TYR V 37 -44.941 13.534 14.999 1.00 59.37 C0 +ATOM 3953 CG TYR V 37 -44.249 12.250 15.374 1.00 57.20 C0 +ATOM 3954 CD1 TYR V 37 -43.802 12.015 16.667 1.00 58.16 C0 +ATOM 3955 CD2 TYR V 37 -44.088 11.247 14.436 1.00 57.86 C0 +ATOM 3956 CE1 TYR V 37 -43.162 10.832 17.006 1.00 58.22 C0 +ATOM 3957 CE2 TYR V 37 -43.455 10.059 14.754 1.00 59.19 C0 +ATOM 3958 CZ TYR V 37 -42.998 9.850 16.043 1.00 56.63 C0 +ATOM 3959 OH TYR V 37 -42.346 8.693 16.325 1.00 65.58 O0 +ATOM 3960 H TYR V 37 -44.044 15.357 16.830 1.00 50.42 H0 +ATOM 3961 HA TYR V 37 -43.289 14.521 14.139 1.00 54.68 H0 +ATOM 3962 HB2 TYR V 37 -45.577 13.760 15.709 1.00 59.37 H0 +ATOM 3963 HB3 TYR V 37 -45.460 13.378 14.183 1.00 59.37 H0 +ATOM 3964 HD1 TYR V 37 -43.934 12.674 17.328 1.00 58.16 H0 +ATOM 3965 HD2 TYR V 37 -44.416 11.374 13.561 1.00 57.86 H0 +ATOM 3966 HE1 TYR V 37 -42.865 10.690 17.890 1.00 58.22 H0 +ATOM 3967 HE2 TYR V 37 -43.342 9.389 14.099 1.00 59.19 H0 +ATOM 3968 HH TYR V 37 -42.083 8.696 17.142 0.00 65.58 H0 +ATOM 3969 N ARG V 38 -45.155 15.882 12.927 1.00 57.69 N0 +ATOM 3970 CA ARG V 38 -46.054 16.887 12.308 1.00 54.06 C0 +ATOM 3971 C ARG V 38 -46.887 16.197 11.232 1.00 55.99 C0 +ATOM 3972 O ARG V 38 -46.408 15.216 10.651 1.00 59.90 O0 +ATOM 3973 CB ARG V 38 -45.244 18.045 11.717 1.00 52.86 C0 +ATOM 3974 CG ARG V 38 -44.516 17.710 10.416 1.00 51.00 C0 +ATOM 3975 CD ARG V 38 -43.613 18.860 10.035 1.00 49.95 C0 +ATOM 3976 NE ARG V 38 -42.730 18.527 8.932 1.00 55.63 N0 +ATOM 3977 CZ ARG V 38 -41.822 19.343 8.413 1.00 59.77 C0 +ATOM 3978 NH1 ARG V 38 -41.667 20.573 8.892 1.00 63.72 N0 +ATOM 3979 NH2 ARG V 38 -41.042 18.902 7.437 1.00 62.36 N0 +ATOM 3980 H ARG V 38 -44.764 15.150 12.351 1.00 57.69 H0 +ATOM 3981 HA ARG V 38 -46.657 17.241 13.007 1.00 54.06 H0 +ATOM 3982 HB2 ARG V 38 -45.856 18.804 11.549 1.00 52.86 H0 +ATOM 3983 HB3 ARG V 38 -44.576 18.335 12.386 1.00 52.86 H0 +ATOM 3984 HG2 ARG V 38 -43.988 16.883 10.541 1.00 51.00 H0 +ATOM 3985 HG3 ARG V 38 -45.181 17.542 9.704 1.00 51.00 H0 +ATOM 3986 HD2 ARG V 38 -44.167 19.639 9.784 1.00 49.95 H0 +ATOM 3987 HD3 ARG V 38 -43.069 19.120 10.819 1.00 49.95 H0 +ATOM 3988 HE ARG V 38 -42.800 17.707 8.570 1.00 55.63 H0 +ATOM 3989 HH11 ARG V 38 -42.181 20.856 9.573 1.00 63.72 H0 +ATOM 3990 HH12 ARG V 38 -41.049 21.118 8.533 1.00 63.72 H0 +ATOM 3991 HH21 ARG V 38 -41.134 18.060 7.137 1.00 62.36 H0 +ATOM 3992 HH22 ARG V 38 -40.423 19.446 7.078 1.00 62.36 H0 +ATOM 3993 N GLN V 39 -48.091 16.700 10.999 1.00 61.47 N0 +ATOM 3994 CA GLN V 39 -48.995 16.224 9.931 1.00 68.64 C0 +ATOM 3995 C GLN V 39 -49.550 17.430 9.177 1.00 64.81 C0 +ATOM 3996 O GLN V 39 -50.422 18.101 9.731 1.00 68.88 O0 +ATOM 3997 CB GLN V 39 -50.121 15.378 10.524 1.00 72.79 C0 +ATOM 3998 CG GLN V 39 -51.020 14.764 9.462 1.00 74.73 C0 +ATOM 3999 CD GLN V 39 -51.889 13.671 10.032 1.00 81.91 C0 +ATOM 4000 OE1 GLN V 39 -52.048 13.543 11.243 1.00 80.06 O0 +ATOM 4001 NE2 GLN V 39 -52.469 12.872 9.150 1.00 91.88 N0 +ATOM 4002 H GLN V 39 -48.392 17.455 11.599 1.00 61.47 H0 +ATOM 4003 HA GLN V 39 -48.475 15.668 9.306 1.00 68.64 H0 +ATOM 4004 HB2 GLN V 39 -49.723 14.666 11.067 1.00 72.79 H0 +ATOM 4005 HB3 GLN V 39 -50.656 15.944 11.118 1.00 72.79 H0 +ATOM 4006 HG2 GLN V 39 -51.589 15.464 9.077 1.00 74.73 H0 +ATOM 4007 HG3 GLN V 39 -50.464 14.396 8.742 1.00 74.73 H0 +ATOM 4008 HE21 GLN V 39 -52.990 12.213 9.426 1.00 91.88 H0 +ATOM 4009 HE22 GLN V 39 -52.335 12.997 8.285 1.00 91.88 H0 +ATOM 4010 N ALA V 40 -49.024 17.686 7.978 1.00 71.15 N0 +ATOM 4011 CA ALA V 40 -49.617 18.581 6.958 1.00 81.97 C0 +ATOM 4012 C ALA V 40 -50.990 18.039 6.570 1.00 90.28 C0 +ATOM 4013 O ALA V 40 -51.255 16.848 6.734 1.00 87.76 O0 +ATOM 4014 CB ALA V 40 -48.703 18.697 5.754 1.00 83.51 C0 +ATOM 4015 H ALA V 40 -48.152 17.219 7.776 1.00 71.15 H0 +ATOM 4016 HA ALA V 40 -49.726 19.478 7.353 1.00 81.97 H0 +ATOM 4017 HB1 ALA V 40 -49.106 19.286 5.096 1.00 83.51 H0 +ATOM 4018 HB2 ALA V 40 -47.847 19.060 6.030 1.00 83.51 H0 +ATOM 4019 HB3 ALA V 40 -48.569 17.818 5.361 1.00 83.51 H0 +ATOM 4020 N PRO V 41 -51.903 18.880 6.028 1.00103.87 N0 +ATOM 4021 CA PRO V 41 -53.281 18.448 5.785 1.00108.96 C0 +ATOM 4022 C PRO V 41 -53.314 17.329 4.726 1.00106.37 C0 +ATOM 4023 O PRO V 41 -52.611 17.447 3.706 1.00 86.16 O0 +ATOM 4024 CB PRO V 41 -53.999 19.728 5.315 1.00115.68 C0 +ATOM 4025 CG PRO V 41 -53.039 20.870 5.634 1.00108.72 C0 +ATOM 4026 CD PRO V 41 -51.656 20.259 5.572 1.00 99.84 C0 +ATOM 4027 HA PRO V 41 -53.680 18.134 6.635 1.00108.96 H0 +ATOM 4028 HB2 PRO V 41 -54.190 19.692 4.354 1.00115.68 H0 +ATOM 4029 HB3 PRO V 41 -54.850 19.847 5.786 1.00115.68 H0 +ATOM 4030 HG2 PRO V 41 -53.130 21.595 4.981 1.00108.72 H0 +ATOM 4031 HG3 PRO V 41 -53.219 21.238 6.524 1.00108.72 H0 +ATOM 4032 HD2 PRO V 41 -51.300 20.292 4.660 1.00 99.84 H0 +ATOM 4033 HD3 PRO V 41 -51.035 20.740 6.158 1.00 99.84 H0 +ATOM 4034 N GLY V 42 -54.058 16.251 5.005 1.00 97.19 N0 +ATOM 4035 CA GLY V 42 -54.103 15.044 4.151 1.00111.63 C0 +ATOM 4036 C GLY V 42 -52.733 14.667 3.587 1.00114.04 C0 +ATOM 4037 O GLY V 42 -52.627 14.375 2.384 1.00104.70 O0 +ATOM 4038 H GLY V 42 -54.613 16.279 5.848 1.00 97.19 H0 +ATOM 4039 HA2 GLY V 42 -54.451 14.285 4.683 1.00111.63 H0 +ATOM 4040 HA3 GLY V 42 -54.726 15.203 3.399 1.00111.63 H0 +ATOM 4041 N LYS V 43 -51.697 14.714 4.419 1.00114.56 N0 +ATOM 4042 CA LYS V 43 -50.389 14.061 4.176 1.00101.00 C0 +ATOM 4043 C LYS V 43 -50.249 13.054 5.318 1.00 91.23 C0 +ATOM 4044 O LYS V 43 -51.160 13.028 6.175 1.00 84.03 O0 +ATOM 4045 CB LYS V 43 -49.299 15.132 4.098 1.00109.46 C0 +ATOM 4046 CG LYS V 43 -48.076 14.765 3.267 1.00125.19 C0 +ATOM 4047 CD LYS V 43 -47.703 15.821 2.244 1.00130.09 C0 +ATOM 4048 CE LYS V 43 -48.745 15.965 1.153 1.00132.65 C0 +ATOM 4049 NZ LYS V 43 -48.183 16.593 -0.066 1.00130.90 N0 +ATOM 4050 H LYS V 43 -51.835 15.238 5.271 1.00114.56 H0 +ATOM 4051 HA LYS V 43 -50.425 13.604 3.304 1.00101.00 H0 +ATOM 4052 HB2 LYS V 43 -49.692 15.950 3.729 1.00109.46 H0 +ATOM 4053 HB3 LYS V 43 -49.005 15.344 5.008 1.00109.46 H0 +ATOM 4054 HG2 LYS V 43 -47.316 14.629 3.872 1.00125.19 H0 +ATOM 4055 HG3 LYS V 43 -48.257 13.922 2.799 1.00125.19 H0 +ATOM 4056 HD2 LYS V 43 -47.592 16.683 2.699 1.00130.09 H0 +ATOM 4057 HD3 LYS V 43 -46.842 15.583 1.838 1.00130.09 H0 +ATOM 4058 HE2 LYS V 43 -49.100 15.086 0.922 1.00132.65 H0 +ATOM 4059 HE3 LYS V 43 -49.485 16.511 1.478 1.00132.65 H0 +ATOM 4060 HZ1 LYS V 43 -47.864 17.418 0.133 1.00130.90 H0 +ATOM 4061 HZ2 LYS V 43 -48.828 16.663 -0.700 1.00130.90 H0 +ATOM 4062 HZ3 LYS V 43 -47.505 16.084 -0.389 1.00130.90 H0 +ATOM 4063 N GLN V 44 -49.204 12.233 5.358 1.00 88.53 N0 +ATOM 4064 CA GLN V 44 -49.046 11.317 6.524 1.00 96.38 C0 +ATOM 4065 C GLN V 44 -48.193 12.026 7.586 1.00 80.19 C0 +ATOM 4066 O GLN V 44 -47.273 12.797 7.207 1.00 67.84 O0 +ATOM 4067 CB GLN V 44 -48.532 9.932 6.111 1.00107.18 C0 +ATOM 4068 CG GLN V 44 -47.200 9.924 5.373 1.00114.21 C0 +ATOM 4069 CD GLN V 44 -46.759 8.511 5.062 1.00122.57 C0 +ATOM 4070 OE1 GLN V 44 -47.521 7.556 5.204 1.00124.20 O0 +ATOM 4071 NE2 GLN V 44 -45.517 8.365 4.628 1.00116.21 N0 +ATOM 4072 H GLN V 44 -48.515 12.214 4.620 1.00 88.53 H0 +ATOM 4073 HA GLN V 44 -49.938 11.130 6.897 1.00 96.38 H0 +ATOM 4074 HB2 GLN V 44 -48.439 9.381 6.916 1.00107.18 H0 +ATOM 4075 HB3 GLN V 44 -49.203 9.509 5.535 1.00107.18 H0 +ATOM 4076 HG2 GLN V 44 -47.290 10.433 4.539 1.00114.21 H0 +ATOM 4077 HG3 GLN V 44 -46.522 10.367 5.926 1.00114.21 H0 +ATOM 4078 HE21 GLN V 44 -45.209 7.560 4.432 1.00116.21 H0 +ATOM 4079 HE22 GLN V 44 -44.995 9.072 4.534 1.00116.21 H0 +ATOM 4080 N ARG V 45 -48.561 11.822 8.855 1.00 67.59 N0 +ATOM 4081 CA ARG V 45 -47.788 12.187 10.070 1.00 68.12 C0 +ATOM 4082 C ARG V 45 -46.343 11.728 9.849 1.00 74.16 C0 +ATOM 4083 O ARG V 45 -46.155 10.599 9.371 1.00 75.56 O0 +ATOM 4084 CB ARG V 45 -48.437 11.536 11.295 1.00 71.41 C0 +ATOM 4085 CG ARG V 45 -47.906 11.993 12.643 1.00 72.19 C0 +ATOM 4086 CD ARG V 45 -48.639 11.344 13.802 1.00 84.48 C0 +ATOM 4087 NE ARG V 45 -49.728 12.172 14.333 1.00 98.04 N0 +ATOM 4088 CZ ARG V 45 -50.412 11.935 15.461 1.00 95.70 C0 +ATOM 4089 NH1 ARG V 45 -50.143 10.878 16.212 1.00107.22 N0 +ATOM 4090 NH2 ARG V 45 -51.374 12.760 15.837 1.00 86.97 N0 +ATOM 4091 H ARG V 45 -49.460 11.373 8.960 1.00 67.59 H0 +ATOM 4092 HA ARG V 45 -47.813 13.170 10.174 1.00 68.12 H0 +ATOM 4093 HB2 ARG V 45 -49.408 11.720 11.272 1.00 71.41 H0 +ATOM 4094 HB3 ARG V 45 -48.312 10.557 11.234 1.00 71.41 H0 +ATOM 4095 HG2 ARG V 45 -46.944 11.772 12.707 1.00 72.19 H0 +ATOM 4096 HG3 ARG V 45 -47.998 12.975 12.714 1.00 72.19 H0 +ATOM 4097 HD2 ARG V 45 -49.013 10.478 13.506 1.00 84.48 H0 +ATOM 4098 HD3 ARG V 45 -47.996 11.158 14.530 1.00 84.48 H0 +ATOM 4099 HE ARG V 45 -49.964 12.904 13.868 1.00 98.04 H0 +ATOM 4100 HH11 ARG V 45 -49.493 10.308 15.966 1.00107.22 H0 +ATOM 4101 HH12 ARG V 45 -50.611 10.734 16.966 1.00107.22 H0 +ATOM 4102 HH21 ARG V 45 -51.568 13.480 15.335 1.00 86.97 H0 +ATOM 4103 HH22 ARG V 45 -51.831 12.599 16.594 1.00 86.97 H0 +ATOM 4104 N GLU V 46 -45.368 12.604 10.087 1.00 68.80 N0 +ATOM 4105 CA GLU V 46 -43.937 12.257 9.990 1.00 58.71 C0 +ATOM 4106 C GLU V 46 -43.219 12.699 11.263 1.00 58.08 C0 +ATOM 4107 O GLU V 46 -43.718 13.590 11.968 1.00 64.43 O0 +ATOM 4108 CB GLU V 46 -43.273 12.828 8.736 1.00 63.14 C0 +ATOM 4109 CG GLU V 46 -43.242 14.329 8.642 1.00 71.37 C0 +ATOM 4110 CD GLU V 46 -42.315 14.883 7.574 1.00 74.10 C0 +ATOM 4111 OE1 GLU V 46 -41.645 14.094 6.888 1.00 82.85 O0 +ATOM 4112 OE2 GLU V 46 -42.259 16.115 7.440 1.00 75.40 O0 +ATOM 4113 H GLU V 46 -45.630 13.545 10.345 1.00 68.80 H0 +ATOM 4114 HA GLU V 46 -43.858 11.279 9.906 1.00 58.71 H0 +ATOM 4115 HB2 GLU V 46 -42.348 12.507 8.700 1.00 63.14 H0 +ATOM 4116 HB3 GLU V 46 -43.749 12.489 7.949 1.00 63.14 H0 +ATOM 4117 HG2 GLU V 46 -44.149 14.655 8.461 1.00 71.37 H0 +ATOM 4118 HG3 GLU V 46 -42.967 14.696 9.509 1.00 71.37 H0 +ATOM 4119 N LEU V 47 -42.103 12.027 11.523 1.00 56.37 N0 +ATOM 4120 CA LEU V 47 -41.130 12.302 12.591 1.00 57.61 C0 +ATOM 4121 C LEU V 47 -40.306 13.505 12.158 1.00 57.70 C0 +ATOM 4122 O LEU V 47 -39.804 13.491 11.038 1.00 58.02 O0 +ATOM 4123 CB LEU V 47 -40.224 11.083 12.778 1.00 53.95 C0 +ATOM 4124 CG LEU V 47 -39.144 11.243 13.860 1.00 64.79 C0 +ATOM 4125 CD1 LEU V 47 -39.717 11.805 15.148 1.00 67.05 C0 +ATOM 4126 CD2 LEU V 47 -38.476 9.911 14.171 1.00 66.76 C0 +ATOM 4127 H LEU V 47 -41.941 11.251 10.897 1.00 56.37 H0 +ATOM 4128 HA LEU V 47 -41.624 12.518 13.415 1.00 57.61 H0 +ATOM 4129 HB2 LEU V 47 -40.785 10.314 13.003 1.00 53.95 H0 +ATOM 4130 HB3 LEU V 47 -39.789 10.889 11.924 1.00 53.95 H0 +ATOM 4131 HG LEU V 47 -38.451 11.857 13.513 1.00 64.79 H0 +ATOM 4132 HD11 LEU V 47 -40.109 12.679 14.975 1.00 67.05 H0 +ATOM 4133 HD12 LEU V 47 -39.007 11.892 15.808 1.00 67.05 H0 +ATOM 4134 HD13 LEU V 47 -40.403 11.204 15.487 1.00 67.05 H0 +ATOM 4135 HD21 LEU V 47 -39.144 9.279 14.489 1.00 66.76 H0 +ATOM 4136 HD22 LEU V 47 -37.798 10.040 14.856 1.00 66.76 H0 +ATOM 4137 HD23 LEU V 47 -38.058 9.561 13.365 1.00 66.76 H0 +ATOM 4138 N VAL V 48 -40.168 14.485 13.042 1.00 56.13 N0 +ATOM 4139 CA VAL V 48 -39.448 15.743 12.750 1.00 52.80 C0 +ATOM 4140 C VAL V 48 -38.111 15.662 13.458 1.00 51.17 C0 +ATOM 4141 O VAL V 48 -37.094 15.793 12.796 1.00 53.31 O0 +ATOM 4142 CB VAL V 48 -40.276 16.967 13.185 1.00 54.06 C0 +ATOM 4143 CG1 VAL V 48 -39.479 18.248 13.054 1.00 57.55 C0 +ATOM 4144 CG2 VAL V 48 -41.571 17.067 12.407 1.00 54.61 C0 +ATOM 4145 H VAL V 48 -40.579 14.353 13.955 1.00 56.13 H0 +ATOM 4146 HA VAL V 48 -39.301 15.797 11.789 1.00 52.80 H0 +ATOM 4147 HB VAL V 48 -40.507 16.841 14.138 1.00 54.06 H0 +ATOM 4148 HG11 VAL V 48 -38.686 18.196 13.615 1.00 57.55 H0 +ATOM 4149 HG12 VAL V 48 -40.027 19.002 13.335 1.00 57.55 H0 +ATOM 4150 HG13 VAL V 48 -39.211 18.371 12.127 1.00 57.55 H0 +ATOM 4151 HG21 VAL V 48 -41.374 17.150 11.458 1.00 54.61 H0 +ATOM 4152 HG22 VAL V 48 -42.069 17.848 12.705 1.00 54.61 H0 +ATOM 4153 HG23 VAL V 48 -42.103 16.267 12.558 1.00 54.61 H0 +ATOM 4154 N ALA V 49 -38.135 15.422 14.764 1.00 55.44 N0 +ATOM 4155 CA ALA V 49 -36.939 15.465 15.633 1.00 54.03 C0 +ATOM 4156 C ALA V 49 -37.132 14.514 16.804 1.00 50.48 C0 +ATOM 4157 O ALA V 49 -38.269 14.269 17.188 1.00 51.68 O0 +ATOM 4158 CB ALA V 49 -36.713 16.868 16.136 1.00 52.92 C0 +ATOM 4159 H ALA V 49 -39.032 15.198 15.171 1.00 55.44 H0 +ATOM 4160 HA ALA V 49 -36.160 15.166 15.108 1.00 54.03 H0 +ATOM 4161 HB1 ALA V 49 -35.927 16.886 16.704 1.00 52.92 H0 +ATOM 4162 HB2 ALA V 49 -36.580 17.465 15.383 1.00 52.92 H0 +ATOM 4163 HB3 ALA V 49 -37.487 17.159 16.646 1.00 52.92 H0 +ATOM 4164 N SER V 50 -36.029 13.996 17.323 1.00 56.17 N0 +ATOM 4165 CA SER V 50 -36.000 12.938 18.350 1.00 54.96 C0 +ATOM 4166 C SER V 50 -34.860 13.241 19.288 1.00 56.51 C0 +ATOM 4167 O SER V 50 -33.777 13.597 18.787 1.00 54.40 O0 +ATOM 4168 CB SER V 50 -35.850 11.582 17.760 1.00 60.28 C0 +ATOM 4169 OG SER V 50 -36.073 10.585 18.755 1.00 61.96 O0 +ATOM 4170 H SER V 50 -35.157 14.368 16.975 1.00 56.17 H0 +ATOM 4171 HA SER V 50 -36.852 12.973 18.851 1.00 54.96 H0 +ATOM 4172 HB2 SER V 50 -36.502 11.471 17.024 1.00 60.28 H0 +ATOM 4173 HB3 SER V 50 -34.938 11.486 17.389 1.00 60.28 H0 +ATOM 4174 HG SER V 50 -35.983 9.830 18.400 0.00 61.96 H0 +ATOM 4175 N ILE V 51 -35.116 13.114 20.586 1.00 56.99 N0 +ATOM 4176 CA ILE V 51 -34.044 13.265 21.601 1.00 58.74 C0 +ATOM 4177 C ILE V 51 -34.122 12.074 22.557 1.00 60.92 C0 +ATOM 4178 O ILE V 51 -35.220 11.801 23.073 1.00 65.07 O0 +ATOM 4179 CB ILE V 51 -34.131 14.636 22.283 1.00 54.88 C0 +ATOM 4180 CG1 ILE V 51 -32.918 14.905 23.173 1.00 51.99 C0 +ATOM 4181 CG2 ILE V 51 -35.448 14.788 23.025 1.00 58.56 C0 +ATOM 4182 CD1 ILE V 51 -32.612 16.377 23.363 1.00 59.74 C0 +ATOM 4183 H ILE V 51 -36.057 12.911 20.890 1.00 56.99 H0 +ATOM 4184 HA ILE V 51 -33.184 13.246 21.145 1.00 58.74 H0 +ATOM 4185 HB ILE V 51 -34.108 15.322 21.571 1.00 54.88 H0 +ATOM 4186 HG12 ILE V 51 -33.077 14.499 24.052 1.00 51.99 H0 +ATOM 4187 HG13 ILE V 51 -32.134 14.468 22.777 1.00 51.99 H0 +ATOM 4188 HG21 ILE V 51 -36.188 14.706 22.398 1.00 58.56 H0 +ATOM 4189 HG22 ILE V 51 -35.486 15.663 23.448 1.00 58.56 H0 +ATOM 4190 HG23 ILE V 51 -35.522 14.096 23.705 1.00 58.56 H0 +ATOM 4191 HD11 ILE V 51 -32.431 16.786 22.499 1.00 59.74 H0 +ATOM 4192 HD12 ILE V 51 -31.832 16.476 23.937 1.00 59.74 H0 +ATOM 4193 HD13 ILE V 51 -33.375 16.818 23.776 1.00 59.74 H0 +ATOM 4194 N SER V 52 -32.999 11.354 22.684 1.00 69.58 N0 +ATOM 4195 CA SER V 52 -32.750 10.235 23.637 1.00 68.84 C0 +ATOM 4196 C SER V 52 -32.410 10.812 25.007 1.00 64.82 C0 +ATOM 4197 O SER V 52 -32.006 11.969 25.053 1.00 76.89 O0 +ATOM 4198 CB SER V 52 -31.609 9.378 23.159 1.00 64.00 C0 +ATOM 4199 OG SER V 52 -30.378 10.065 23.321 1.00 69.44 O0 +ATOM 4200 H SER V 52 -32.266 11.631 22.047 1.00 69.58 H0 +ATOM 4201 HA SER V 52 -33.583 9.708 23.715 1.00 68.84 H0 +ATOM 4202 HB2 SER V 52 -31.592 8.536 23.678 1.00 64.00 H0 +ATOM 4203 HB3 SER V 52 -31.744 9.156 22.205 1.00 64.00 H0 +ATOM 4204 HG SER V 52 -29.758 9.569 23.049 0.00 69.44 H0 +ATOM 4205 N SER V 53 -32.521 10.007 26.054 1.00 68.81 N0 +ATOM 4206 CA SER V 53 -32.011 10.270 27.432 1.00 72.44 C0 +ATOM 4207 C SER V 53 -30.602 10.877 27.424 1.00 75.42 C0 +ATOM 4208 O SER V 53 -30.358 11.845 28.188 1.00 71.08 O0 +ATOM 4209 CB SER V 53 -31.984 8.985 28.189 1.00 82.82 C0 +ATOM 4210 OG SER V 53 -31.131 8.069 27.515 1.00 86.63 O0 +ATOM 4211 H SER V 53 -33.003 9.140 25.865 1.00 68.81 H0 +ATOM 4212 HA SER V 53 -32.610 10.931 27.859 1.00 72.44 H0 +ATOM 4213 HB2 SER V 53 -31.653 9.152 29.106 1.00 82.82 H0 +ATOM 4214 HB3 SER V 53 -32.902 8.621 28.248 1.00 82.82 H0 +ATOM 4215 HG SER V 53 -31.120 7.349 27.945 0.00 86.63 H0 +ATOM 4216 N GLY V 54 -29.701 10.310 26.608 1.00 84.57 N0 +ATOM 4217 CA GLY V 54 -28.306 10.769 26.447 1.00 81.29 C0 +ATOM 4218 C GLY V 54 -28.191 12.122 25.756 1.00 86.77 C0 +ATOM 4219 O GLY V 54 -27.049 12.524 25.480 1.00 93.12 O0 +ATOM 4220 H GLY V 54 -30.022 9.514 26.076 1.00 84.57 H0 +ATOM 4221 HA2 GLY V 54 -27.882 10.833 27.339 1.00 81.29 H0 +ATOM 4222 HA3 GLY V 54 -27.805 10.100 25.916 1.00 81.29 H0 +ATOM 4223 N GLY V 55 -29.306 12.795 25.441 1.00 82.95 N0 +ATOM 4224 CA GLY V 55 -29.311 14.085 24.720 1.00 81.48 C0 +ATOM 4225 C GLY V 55 -28.897 13.925 23.262 1.00 79.08 C0 +ATOM 4226 O GLY V 55 -28.594 14.942 22.626 1.00 76.25 O0 +ATOM 4227 H GLY V 55 -30.185 12.383 25.720 1.00 82.95 H0 +ATOM 4228 HA2 GLY V 55 -30.220 14.475 24.761 1.00 81.48 H0 +ATOM 4229 HA3 GLY V 55 -28.688 14.709 25.170 1.00 81.48 H0 +ATOM 4230 N GLY V 56 -28.847 12.694 22.749 1.00 70.49 N0 +ATOM 4231 CA GLY V 56 -28.524 12.431 21.335 1.00 76.02 C0 +ATOM 4232 C GLY V 56 -29.741 12.729 20.479 1.00 75.36 C0 +ATOM 4233 O GLY V 56 -30.837 12.368 20.913 1.00 68.66 O0 +ATOM 4234 H GLY V 56 -29.040 11.916 23.363 1.00 70.49 H0 +ATOM 4235 HA2 GLY V 56 -27.760 13.001 21.067 1.00 76.02 H0 +ATOM 4236 HA3 GLY V 56 -28.251 11.484 21.236 1.00 76.02 H0 +ATOM 4237 N THR V 57 -29.565 13.370 19.321 1.00 67.77 N0 +ATOM 4238 CA THR V 57 -30.676 13.905 18.500 1.00 69.85 C0 +ATOM 4239 C THR V 57 -30.675 13.267 17.113 1.00 71.46 C0 +ATOM 4240 O THR V 57 -29.599 12.994 16.587 1.00 77.92 O0 +ATOM 4241 CB THR V 57 -30.601 15.431 18.407 1.00 70.73 C0 +ATOM 4242 OG1 THR V 57 -29.380 15.815 17.776 1.00 70.16 O0 +ATOM 4243 CG2 THR V 57 -30.652 16.081 19.771 1.00 73.04 C0 +ATOM 4244 H THR V 57 -28.615 13.489 19.001 1.00 67.77 H0 +ATOM 4245 HA THR V 57 -31.527 13.669 18.945 1.00 69.85 H0 +ATOM 4246 HB THR V 57 -31.366 15.747 17.865 1.00 70.73 H0 +ATOM 4247 HG1 THR V 57 -29.340 16.651 17.726 0.00 70.16 H0 +ATOM 4248 HG21 THR V 57 -31.499 15.841 20.221 1.00 73.04 H0 +ATOM 4249 HG22 THR V 57 -30.602 17.064 19.672 1.00 73.04 H0 +ATOM 4250 HG23 THR V 57 -29.889 15.767 20.316 1.00 73.04 H0 +ATOM 4251 N TYR V 58 -31.868 13.040 16.564 1.00 69.35 N0 +ATOM 4252 CA TYR V 58 -32.109 12.786 15.126 1.00 62.42 C0 +ATOM 4253 C TYR V 58 -33.061 13.868 14.596 1.00 62.98 C0 +ATOM 4254 O TYR V 58 -33.998 14.246 15.299 1.00 63.48 O0 +ATOM 4255 CB TYR V 58 -32.669 11.385 14.900 1.00 56.49 C0 +ATOM 4256 CG TYR V 58 -33.302 11.164 13.544 1.00 66.83 C0 +ATOM 4257 CD1 TYR V 58 -32.568 10.779 12.428 1.00 69.67 C0 +ATOM 4258 CD2 TYR V 58 -34.666 11.333 13.377 1.00 75.02 C0 +ATOM 4259 CE1 TYR V 58 -33.172 10.569 11.192 1.00 65.17 C0 +ATOM 4260 CE2 TYR V 58 -35.290 11.117 12.159 1.00 73.08 C0 +ATOM 4261 CZ TYR V 58 -34.542 10.741 11.058 1.00 81.06 C0 +ATOM 4262 OH TYR V 58 -35.209 10.548 9.880 1.00 83.50 O0 +ATOM 4263 H TYR V 58 -32.652 13.047 17.201 1.00 69.35 H0 +ATOM 4264 HA TYR V 58 -31.246 12.853 14.644 1.00 62.42 H0 +ATOM 4265 HB2 TYR V 58 -31.942 10.738 15.019 1.00 56.49 H0 +ATOM 4266 HB3 TYR V 58 -33.337 11.203 15.594 1.00 56.49 H0 +ATOM 4267 HD1 TYR V 58 -31.638 10.648 12.510 1.00 69.67 H0 +ATOM 4268 HD2 TYR V 58 -35.183 11.604 14.117 1.00 75.02 H0 +ATOM 4269 HE1 TYR V 58 -32.653 10.308 10.449 1.00 65.17 H0 +ATOM 4270 HE2 TYR V 58 -36.222 11.236 12.078 1.00 73.08 H0 +ATOM 4271 HH TYR V 58 -34.658 10.313 9.266 0.00 83.50 H0 +ATOM 4272 N TYR V 59 -32.828 14.320 13.364 1.00 60.11 N0 +ATOM 4273 CA TYR V 59 -33.677 15.267 12.602 1.00 55.53 C0 +ATOM 4274 C TYR V 59 -33.999 14.677 11.229 1.00 55.41 C0 +ATOM 4275 O TYR V 59 -33.095 14.194 10.557 1.00 58.09 O0 +ATOM 4276 CB TYR V 59 -32.964 16.610 12.460 1.00 52.31 C0 +ATOM 4277 CG TYR V 59 -32.645 17.313 13.750 1.00 55.07 C0 +ATOM 4278 CD1 TYR V 59 -33.602 18.061 14.416 1.00 54.27 C0 +ATOM 4279 CD2 TYR V 59 -31.389 17.222 14.318 1.00 54.26 C0 +ATOM 4280 CE1 TYR V 59 -33.312 18.716 15.606 1.00 52.51 C0 +ATOM 4281 CE2 TYR V 59 -31.096 17.853 15.513 1.00 55.53 C0 +ATOM 4282 CZ TYR V 59 -32.058 18.609 16.154 1.00 50.65 C0 +ATOM 4283 OH TYR V 59 -31.779 19.211 17.348 1.00 64.03 O0 +ATOM 4284 H TYR V 59 -31.984 13.963 12.939 1.00 60.11 H0 +ATOM 4285 HA TYR V 59 -34.527 15.395 13.094 1.00 55.53 H0 +ATOM 4286 HB2 TYR V 59 -32.128 16.466 11.970 1.00 52.31 H0 +ATOM 4287 HB3 TYR V 59 -33.523 17.201 11.914 1.00 52.31 H0 +ATOM 4288 HD1 TYR V 59 -34.469 18.130 14.053 1.00 54.27 H0 +ATOM 4289 HD2 TYR V 59 -30.717 16.721 13.885 1.00 54.26 H0 +ATOM 4290 HE1 TYR V 59 -33.978 19.220 16.044 1.00 52.51 H0 +ATOM 4291 HE2 TYR V 59 -30.232 17.775 15.884 1.00 55.53 H0 +ATOM 4292 HH TYR V 59 -32.475 19.619 17.641 0.00 64.03 H0 +ATOM 4293 N VAL V 60 -35.260 14.721 10.810 1.00 55.57 N0 +ATOM 4294 CA VAL V 60 -35.626 14.431 9.395 1.00 58.47 C0 +ATOM 4295 C VAL V 60 -34.833 15.363 8.463 1.00 58.31 C0 +ATOM 4296 O VAL V 60 -34.496 16.501 8.881 1.00 68.17 O0 +ATOM 4297 CB VAL V 60 -37.144 14.538 9.178 1.00 68.35 C0 +ATOM 4298 CG1 VAL V 60 -37.664 15.950 9.415 1.00 65.97 C0 +ATOM 4299 CG2 VAL V 60 -37.546 14.013 7.798 1.00 66.47 C0 +ATOM 4300 H VAL V 60 -35.988 14.957 11.469 1.00 55.57 H0 +ATOM 4301 HA VAL V 60 -35.374 13.512 9.194 1.00 58.47 H0 +ATOM 4302 HB VAL V 60 -37.578 13.966 9.858 1.00 68.35 H0 +ATOM 4303 HG11 VAL V 60 -37.471 16.218 10.330 1.00 65.97 H0 +ATOM 4304 HG12 VAL V 60 -38.625 15.971 9.267 1.00 65.97 H0 +ATOM 4305 HG13 VAL V 60 -37.228 16.564 8.799 1.00 65.97 H0 +ATOM 4306 HG21 VAL V 60 -37.097 14.533 7.109 1.00 66.47 H0 +ATOM 4307 HG22 VAL V 60 -38.509 14.092 7.688 1.00 66.47 H0 +ATOM 4308 HG23 VAL V 60 -37.287 13.078 7.718 1.00 66.47 H0 +ATOM 4309 N ASP V 61 -34.557 14.911 7.233 1.00 62.16 N0 +ATOM 4310 CA ASP V 61 -33.627 15.590 6.285 1.00 65.08 C0 +ATOM 4311 C ASP V 61 -34.120 17.015 6.011 1.00 59.66 C0 +ATOM 4312 O ASP V 61 -33.278 17.912 6.017 1.00 54.04 O0 +ATOM 4313 CB ASP V 61 -33.399 14.796 4.990 1.00 66.62 C0 +ATOM 4314 CG ASP V 61 -32.333 13.694 5.085 1.00 86.46 C0 +ATOM 4315 OD1 ASP V 61 -31.537 13.663 6.075 1.00 82.86 O0 +ATOM 4316 OD2 ASP V 61 -32.308 12.838 4.177 1.00105.11 O0 +ATOM 4317 H ASP V 61 -35.015 14.058 6.947 1.00 62.16 H0 +ATOM 4318 HA ASP V 61 -32.736 15.640 6.703 1.00 65.08 H0 +ATOM 4319 HB2 ASP V 61 -34.240 14.361 4.740 1.00 66.62 H0 +ATOM 4320 HB3 ASP V 61 -33.108 15.418 4.292 1.00 66.62 H0 +ATOM 4321 N SER V 62 -35.426 17.221 5.844 1.00 48.54 N0 +ATOM 4322 CA SER V 62 -36.008 18.509 5.421 1.00 53.89 C0 +ATOM 4323 C SER V 62 -35.871 19.593 6.519 1.00 57.77 C0 +ATOM 4324 O SER V 62 -36.143 20.792 6.232 1.00 55.30 O0 +ATOM 4325 CB SER V 62 -37.437 18.282 5.003 1.00 56.67 C0 +ATOM 4326 OG SER V 62 -38.200 17.772 6.085 1.00 67.65 O0 +ATOM 4327 H SER V 62 -36.039 16.438 6.022 1.00 48.54 H0 +ATOM 4328 HA SER V 62 -35.506 18.827 4.630 1.00 53.89 H0 +ATOM 4329 HB2 SER V 62 -37.828 19.137 4.698 1.00 56.67 H0 +ATOM 4330 HB3 SER V 62 -37.460 17.640 4.251 1.00 56.67 H0 +ATOM 4331 HG SER V 62 -38.989 17.656 5.824 0.00 67.65 H0 +ATOM 4332 N VAL V 63 -35.505 19.243 7.756 1.00 57.56 N0 +ATOM 4333 CA VAL V 63 -35.386 20.271 8.837 1.00 56.86 C0 +ATOM 4334 C VAL V 63 -33.969 20.334 9.380 1.00 53.97 C0 +ATOM 4335 O VAL V 63 -33.711 21.215 10.228 1.00 61.21 O0 +ATOM 4336 CB VAL V 63 -36.404 20.039 9.965 1.00 60.96 C0 +ATOM 4337 CG1 VAL V 63 -37.804 19.989 9.399 1.00 53.80 C0 +ATOM 4338 CG2 VAL V 63 -36.104 18.797 10.807 1.00 58.94 C0 +ATOM 4339 H VAL V 63 -35.305 18.277 7.971 1.00 57.56 H0 +ATOM 4340 HA VAL V 63 -35.591 21.143 8.455 1.00 56.86 H0 +ATOM 4341 HB VAL V 63 -36.351 20.817 10.573 1.00 60.96 H0 +ATOM 4342 HG11 VAL V 63 -38.005 20.831 8.955 1.00 53.80 H0 +ATOM 4343 HG12 VAL V 63 -38.441 19.841 10.120 1.00 53.80 H0 +ATOM 4344 HG13 VAL V 63 -37.869 19.261 8.756 1.00 53.80 H0 +ATOM 4345 HG21 VAL V 63 -36.114 18.008 10.237 1.00 58.94 H0 +ATOM 4346 HG22 VAL V 63 -36.779 18.704 11.501 1.00 58.94 H0 +ATOM 4347 HG23 VAL V 63 -35.227 18.888 11.219 1.00 58.94 H0 +ATOM 4348 N LYS V 64 -33.079 19.470 8.890 1.00 65.57 N0 +ATOM 4349 CA LYS V 64 -31.673 19.428 9.366 1.00 73.97 C0 +ATOM 4350 C LYS V 64 -31.059 20.809 9.155 1.00 66.38 C0 +ATOM 4351 O LYS V 64 -31.233 21.359 8.057 1.00 67.26 O0 +ATOM 4352 CB LYS V 64 -30.880 18.360 8.615 1.00 92.04 C0 +ATOM 4353 CG LYS V 64 -29.995 17.476 9.481 1.00104.51 C0 +ATOM 4354 CD LYS V 64 -29.936 16.050 8.960 1.00116.08 C0 +ATOM 4355 CE LYS V 64 -28.743 15.266 9.462 1.00118.75 C0 +ATOM 4356 NZ LYS V 64 -28.564 14.034 8.662 1.00118.81 N0 +ATOM 4357 H LYS V 64 -33.375 18.825 8.172 1.00 65.57 H0 +ATOM 4358 HA LYS V 64 -31.675 19.215 10.328 1.00 73.97 H0 +ATOM 4359 HB2 LYS V 64 -31.510 17.790 8.127 1.00 92.04 H0 +ATOM 4360 HB3 LYS V 64 -30.319 18.802 7.944 1.00 92.04 H0 +ATOM 4361 HG2 LYS V 64 -29.091 17.857 9.496 1.00104.51 H0 +ATOM 4362 HG3 LYS V 64 -30.351 17.477 10.395 1.00104.51 H0 +ATOM 4363 HD2 LYS V 64 -30.754 15.578 9.226 1.00116.08 H0 +ATOM 4364 HD3 LYS V 64 -29.907 16.068 7.980 1.00116.08 H0 +ATOM 4365 HE2 LYS V 64 -27.940 15.818 9.401 1.00118.75 H0 +ATOM 4366 HE3 LYS V 64 -28.876 15.033 10.400 1.00118.75 H0 +ATOM 4367 HZ1 LYS V 64 -29.306 13.516 8.726 1.00118.81 H0 +ATOM 4368 HZ2 LYS V 64 -27.846 13.571 8.967 1.00118.81 H0 +ATOM 4369 HZ3 LYS V 64 -28.428 14.250 7.792 1.00118.81 H0 +ATOM 4370 N GLY V 65 -30.443 21.371 10.194 1.00 64.00 N0 +ATOM 4371 CA GLY V 65 -29.785 22.692 10.138 1.00 56.71 C0 +ATOM 4372 C GLY V 65 -30.747 23.855 10.382 1.00 61.96 C0 +ATOM 4373 O GLY V 65 -30.274 24.978 10.472 1.00 56.00 O0 +ATOM 4374 H GLY V 65 -30.434 20.853 11.061 1.00 64.00 H0 +ATOM 4375 HA2 GLY V 65 -29.068 22.725 10.820 1.00 56.71 H0 +ATOM 4376 HA3 GLY V 65 -29.367 22.808 9.248 1.00 56.71 H0 +ATOM 4377 N ARG V 66 -32.064 23.628 10.438 1.00 60.31 N0 +ATOM 4378 CA ARG V 66 -33.034 24.723 10.667 1.00 55.20 C0 +ATOM 4379 C ARG V 66 -33.698 24.535 12.040 1.00 54.69 C0 +ATOM 4380 O ARG V 66 -33.974 25.550 12.653 1.00 62.85 O0 +ATOM 4381 CB ARG V 66 -34.090 24.780 9.554 1.00 53.32 C0 +ATOM 4382 CG ARG V 66 -33.540 24.983 8.142 1.00 50.79 C0 +ATOM 4383 CD ARG V 66 -34.706 25.210 7.197 1.00 51.76 C0 +ATOM 4384 NE ARG V 66 -35.612 24.065 7.068 1.00 52.09 N0 +ATOM 4385 CZ ARG V 66 -36.943 24.054 7.235 1.00 56.56 C0 +ATOM 4386 NH1 ARG V 66 -37.610 25.137 7.613 1.00 51.62 N0 +ATOM 4387 NH2 ARG V 66 -37.607 22.919 7.048 1.00 54.20 N0 +ATOM 4388 H ARG V 66 -32.405 22.685 10.321 1.00 60.31 H0 +ATOM 4389 HA ARG V 66 -32.543 25.582 10.665 1.00 55.20 H0 +ATOM 4390 HB2 ARG V 66 -34.605 23.936 9.566 1.00 53.32 H0 +ATOM 4391 HB3 ARG V 66 -34.715 25.521 9.751 1.00 53.32 H0 +ATOM 4392 HG2 ARG V 66 -32.927 25.759 8.139 1.00 50.79 H0 +ATOM 4393 HG3 ARG V 66 -33.021 24.184 7.876 1.00 50.79 H0 +ATOM 4394 HD2 ARG V 66 -35.233 25.986 7.511 1.00 51.76 H0 +ATOM 4395 HD3 ARG V 66 -34.358 25.430 6.298 1.00 51.76 H0 +ATOM 4396 HE ARG V 66 -35.255 23.268 6.853 1.00 52.09 H0 +ATOM 4397 HH11 ARG V 66 -37.168 25.905 7.764 1.00 51.62 H0 +ATOM 4398 HH12 ARG V 66 -38.502 25.100 7.717 1.00 51.62 H0 +ATOM 4399 HH21 ARG V 66 -37.162 22.174 6.813 1.00 54.20 H0 +ATOM 4400 HH22 ARG V 66 -38.499 22.899 7.157 1.00 54.20 H0 +ATOM 4401 N PHE V 67 -34.034 23.298 12.436 1.00 54.30 N0 +ATOM 4402 CA PHE V 67 -34.759 22.959 13.695 1.00 50.99 C0 +ATOM 4403 C PHE V 67 -33.790 22.351 14.711 1.00 54.98 C0 +ATOM 4404 O PHE V 67 -32.824 21.669 14.322 1.00 61.25 O0 +ATOM 4405 CB PHE V 67 -35.877 21.946 13.481 1.00 47.82 C0 +ATOM 4406 CG PHE V 67 -37.010 22.403 12.611 1.00 48.40 C0 +ATOM 4407 CD1 PHE V 67 -36.921 23.544 11.845 1.00 50.69 C0 +ATOM 4408 CD2 PHE V 67 -38.171 21.657 12.540 1.00 54.97 C0 +ATOM 4409 CE1 PHE V 67 -37.993 23.957 11.070 1.00 52.08 C0 +ATOM 4410 CE2 PHE V 67 -39.235 22.057 11.749 1.00 54.14 C0 +ATOM 4411 CZ PHE V 67 -39.131 23.196 10.992 1.00 52.93 C0 +ATOM 4412 H PHE V 67 -33.761 22.554 11.810 1.00 54.30 H0 +ATOM 4413 HA PHE V 67 -35.128 23.793 14.081 1.00 50.99 H0 +ATOM 4414 HB2 PHE V 67 -35.490 21.137 13.085 1.00 47.82 H0 +ATOM 4415 HB3 PHE V 67 -36.241 21.696 14.356 1.00 47.82 H0 +ATOM 4416 HD1 PHE V 67 -36.129 24.057 11.863 1.00 50.69 H0 +ATOM 4417 HD2 PHE V 67 -38.234 20.860 13.043 1.00 54.97 H0 +ATOM 4418 HE1 PHE V 67 -37.920 24.741 10.549 1.00 52.08 H0 +ATOM 4419 HE2 PHE V 67 -40.016 21.529 11.699 1.00 54.14 H0 +ATOM 4420 HZ PHE V 67 -39.856 23.485 10.462 1.00 52.93 H0 +ATOM 4421 N THR V 68 -34.027 22.646 15.990 1.00 54.89 N0 +ATOM 4422 CA THR V 68 -33.251 22.136 17.140 1.00 55.13 C0 +ATOM 4423 C THR V 68 -34.246 21.661 18.191 1.00 52.46 C0 +ATOM 4424 O THR V 68 -35.070 22.480 18.623 1.00 53.85 O0 +ATOM 4425 CB THR V 68 -32.332 23.193 17.743 1.00 54.51 C0 +ATOM 4426 OG1 THR V 68 -31.536 23.607 16.653 1.00 56.67 O0 +ATOM 4427 CG2 THR V 68 -31.474 22.657 18.869 1.00 61.05 C0 +ATOM 4428 H THR V 68 -34.804 23.269 16.158 1.00 54.89 H0 +ATOM 4429 HA THR V 68 -32.710 21.369 16.828 1.00 55.13 H0 +ATOM 4430 HB THR V 68 -32.893 23.928 18.093 1.00 54.51 H0 +ATOM 4431 HG1 THR V 68 -30.996 24.197 16.907 0.00 56.67 H0 +ATOM 4432 HG21 THR V 68 -32.054 22.316 19.594 1.00 61.05 H0 +ATOM 4433 HG22 THR V 68 -30.901 23.381 19.222 1.00 61.05 H0 +ATOM 4434 HG23 THR V 68 -30.905 21.922 18.531 1.00 61.05 H0 +ATOM 4435 N ILE V 69 -34.187 20.386 18.534 1.00 49.85 N0 +ATOM 4436 CA ILE V 69 -34.962 19.797 19.660 1.00 54.42 C0 +ATOM 4437 C ILE V 69 -34.049 19.873 20.885 1.00 52.95 C0 +ATOM 4438 O ILE V 69 -32.879 19.582 20.747 1.00 59.37 O0 +ATOM 4439 CB ILE V 69 -35.425 18.364 19.309 1.00 54.67 C0 +ATOM 4440 CG1 ILE V 69 -36.391 17.782 20.338 1.00 53.09 C0 +ATOM 4441 CG2 ILE V 69 -34.242 17.450 19.081 1.00 56.53 C0 +ATOM 4442 CD1 ILE V 69 -37.005 16.476 19.908 1.00 52.19 C0 +ATOM 4443 H ILE V 69 -33.577 19.791 17.992 1.00 49.85 H0 +ATOM 4444 HA ILE V 69 -35.756 20.342 19.805 1.00 54.42 H0 +ATOM 4445 HB ILE V 69 -35.928 18.415 18.459 1.00 54.67 H0 +ATOM 4446 HG12 ILE V 69 -35.908 17.646 21.181 1.00 53.09 H0 +ATOM 4447 HG13 ILE V 69 -37.106 18.433 20.502 1.00 53.09 H0 +ATOM 4448 HG21 ILE V 69 -33.704 17.788 18.344 1.00 56.53 H0 +ATOM 4449 HG22 ILE V 69 -34.557 16.556 18.859 1.00 56.53 H0 +ATOM 4450 HG23 ILE V 69 -33.698 17.411 19.887 1.00 56.53 H0 +ATOM 4451 HD11 ILE V 69 -37.502 16.606 19.082 1.00 52.19 H0 +ATOM 4452 HD12 ILE V 69 -37.608 16.156 20.601 1.00 52.19 H0 +ATOM 4453 HD13 ILE V 69 -36.303 15.818 19.762 1.00 52.19 H0 +ATOM 4454 N SER V 70 -34.571 20.289 22.033 1.00 56.25 N0 +ATOM 4455 CA SER V 70 -33.871 20.291 23.342 1.00 53.33 C0 +ATOM 4456 C SER V 70 -34.895 19.942 24.429 1.00 58.35 C0 +ATOM 4457 O SER V 70 -36.113 20.060 24.190 1.00 62.22 O0 +ATOM 4458 CB SER V 70 -33.218 21.623 23.595 1.00 54.29 C0 +ATOM 4459 OG SER V 70 -34.185 22.664 23.510 1.00 59.30 O0 +ATOM 4460 H SER V 70 -35.522 20.626 21.983 1.00 56.25 H0 +ATOM 4461 HA SER V 70 -33.174 19.590 23.318 1.00 53.33 H0 +ATOM 4462 HB2 SER V 70 -32.807 21.620 24.494 1.00 54.29 H0 +ATOM 4463 HB3 SER V 70 -32.506 21.771 22.924 1.00 54.29 H0 +ATOM 4464 HG SER V 70 -33.802 23.396 23.654 0.00 59.30 H0 +ATOM 4465 N ARG V 71 -34.407 19.543 25.589 1.00 64.73 N0 +ATOM 4466 CA ARG V 71 -35.223 19.084 26.737 1.00 70.78 C0 +ATOM 4467 C ARG V 71 -34.786 19.874 27.978 1.00 64.90 C0 +ATOM 4468 O ARG V 71 -33.598 20.176 28.092 1.00 63.91 O0 +ATOM 4469 CB ARG V 71 -35.056 17.569 26.896 1.00 66.82 C0 +ATOM 4470 CG ARG V 71 -35.617 17.060 28.212 1.00 92.11 C0 +ATOM 4471 CD ARG V 71 -36.082 15.622 28.212 1.00 92.70 C0 +ATOM 4472 NE ARG V 71 -35.240 14.730 27.429 1.00 82.22 N0 +ATOM 4473 CZ ARG V 71 -35.452 13.419 27.335 1.00 82.91 C0 +ATOM 4474 NH1 ARG V 71 -34.672 12.670 26.571 1.00 88.00 N0 +ATOM 4475 NH2 ARG V 71 -36.444 12.858 28.006 1.00 82.74 N0 +ATOM 4476 H ARG V 71 -33.401 19.561 25.676 1.00 64.73 H0 +ATOM 4477 HA ARG V 71 -36.173 19.277 26.543 1.00 70.78 H0 +ATOM 4478 HB2 ARG V 71 -35.515 17.121 26.143 1.00 66.82 H0 +ATOM 4479 HB3 ARG V 71 -34.093 17.351 26.838 1.00 66.82 H0 +ATOM 4480 HG2 ARG V 71 -34.927 17.145 28.915 1.00 92.11 H0 +ATOM 4481 HG3 ARG V 71 -36.390 17.618 28.475 1.00 92.11 H0 +ATOM 4482 HD2 ARG V 71 -36.108 15.289 29.143 1.00 92.70 H0 +ATOM 4483 HD3 ARG V 71 -37.002 15.578 27.852 1.00 92.70 H0 +ATOM 4484 HE ARG V 71 -34.543 15.088 26.989 1.00 82.22 H0 +ATOM 4485 HH11 ARG V 71 -33.996 13.048 26.114 1.00 88.00 H0 +ATOM 4486 HH12 ARG V 71 -34.820 11.785 26.511 1.00 88.00 H0 +ATOM 4487 HH21 ARG V 71 -36.975 13.364 28.526 1.00 82.74 H0 +ATOM 4488 HH22 ARG V 71 -36.584 11.972 27.940 1.00 82.74 H0 +ATOM 4489 N ASP V 72 -35.727 20.275 28.829 1.00 71.21 N0 +ATOM 4490 CA ASP V 72 -35.434 20.751 30.210 1.00 75.96 C0 +ATOM 4491 C ASP V 72 -36.095 19.771 31.184 1.00 74.51 C0 +ATOM 4492 O ASP V 72 -37.334 19.838 31.344 1.00 65.08 O0 +ATOM 4493 CB ASP V 72 -35.915 22.182 30.449 1.00 74.34 C0 +ATOM 4494 CG ASP V 72 -35.586 22.637 31.848 1.00 77.18 C0 +ATOM 4495 OD1 ASP V 72 -35.203 21.775 32.669 1.00 92.88 O0 +ATOM 4496 OD2 ASP V 72 -35.690 23.831 32.097 1.00 87.84 O0 +ATOM 4497 H ASP V 72 -36.685 20.250 28.509 1.00 71.21 H0 +ATOM 4498 HA ASP V 72 -34.457 20.742 30.343 1.00 75.96 H0 +ATOM 4499 HB2 ASP V 72 -35.467 22.771 29.808 1.00 74.34 H0 +ATOM 4500 HB3 ASP V 72 -36.886 22.208 30.325 1.00 74.34 H0 +ATOM 4501 N ASN V 73 -35.299 18.873 31.763 1.00 82.32 N0 +ATOM 4502 CA ASN V 73 -35.782 17.755 32.618 1.00 82.95 C0 +ATOM 4503 C ASN V 73 -36.356 18.361 33.902 1.00 74.57 C0 +ATOM 4504 O ASN V 73 -37.409 17.904 34.327 1.00 69.22 O0 +ATOM 4505 CB ASN V 73 -34.693 16.709 32.884 1.00 86.31 C0 +ATOM 4506 CG ASN V 73 -33.916 16.302 31.643 1.00 96.40 C0 +ATOM 4507 OD1 ASN V 73 -34.198 15.281 31.022 1.00 81.58 O0 +ATOM 4508 ND2 ASN V 73 -32.918 17.087 31.271 1.00105.21 N0 +ATOM 4509 H ASN V 73 -34.308 18.975 31.599 1.00 82.32 H0 +ATOM 4510 HA ASN V 73 -36.494 17.276 32.133 1.00 82.95 H0 +ATOM 4511 HB2 ASN V 73 -34.064 17.067 33.543 1.00 86.31 H0 +ATOM 4512 HB3 ASN V 73 -35.108 15.910 33.269 1.00 86.31 H0 +ATOM 4513 HD21 ASN V 73 -32.441 16.886 30.554 1.00105.21 H0 +ATOM 4514 HD22 ASN V 73 -32.728 17.813 31.739 1.00105.21 H0 +ATOM 4515 N ALA V 74 -35.718 19.400 34.448 1.00 77.99 N0 +ATOM 4516 CA ALA V 74 -36.152 20.094 35.683 1.00 77.57 C0 +ATOM 4517 C ALA V 74 -37.581 20.623 35.517 1.00 82.22 C0 +ATOM 4518 O ALA V 74 -38.383 20.519 36.488 1.00 78.96 O0 +ATOM 4519 CB ALA V 74 -35.204 21.215 36.018 1.00 79.09 C0 +ATOM 4520 H ALA V 74 -34.886 19.718 33.971 1.00 77.99 H0 +ATOM 4521 HA ALA V 74 -36.146 19.445 36.425 1.00 77.57 H0 +ATOM 4522 HB1 ALA V 74 -35.500 21.660 36.828 1.00 79.09 H0 +ATOM 4523 HB2 ALA V 74 -34.313 20.857 36.155 1.00 79.09 H0 +ATOM 4524 HB3 ALA V 74 -35.186 21.855 35.286 1.00 79.09 H0 +ATOM 4525 N GLU V 75 -37.901 21.171 34.340 1.00 71.17 N0 +ATOM 4526 CA GLU V 75 -39.212 21.827 34.127 1.00 72.48 C0 +ATOM 4527 C GLU V 75 -40.137 20.893 33.332 1.00 70.05 C0 +ATOM 4528 O GLU V 75 -41.293 21.286 33.090 1.00 76.45 O0 +ATOM 4529 CB GLU V 75 -38.970 23.217 33.539 1.00 80.63 C0 +ATOM 4530 CG GLU V 75 -38.314 24.177 34.535 1.00 89.16 C0 +ATOM 4531 CD GLU V 75 -39.112 24.530 35.793 1.00 99.17 C0 +ATOM 4532 OE1 GLU V 75 -40.336 24.830 35.684 1.00 97.66 O0 +ATOM 4533 OE2 GLU V 75 -38.509 24.514 36.894 1.00 96.94 O0 +ATOM 4534 H GLU V 75 -37.237 21.138 33.579 1.00 71.17 H0 +ATOM 4535 HA GLU V 75 -39.621 22.000 35.006 1.00 72.48 H0 +ATOM 4536 HB2 GLU V 75 -38.394 23.126 32.751 1.00 80.63 H0 +ATOM 4537 HB3 GLU V 75 -39.830 23.588 33.252 1.00 80.63 H0 +ATOM 4538 HG2 GLU V 75 -37.462 23.793 34.833 1.00 89.16 H0 +ATOM 4539 HG3 GLU V 75 -38.110 25.020 34.077 1.00 89.16 H0 +ATOM 4540 N ASN V 76 -39.698 19.664 33.037 1.00 62.69 N0 +ATOM 4541 CA ASN V 76 -40.501 18.657 32.306 1.00 71.01 C0 +ATOM 4542 C ASN V 76 -41.003 19.291 31.005 1.00 62.45 C0 +ATOM 4543 O ASN V 76 -42.227 19.207 30.703 1.00 72.05 O0 +ATOM 4544 CB ASN V 76 -41.685 18.138 33.128 1.00 83.47 C0 +ATOM 4545 CG ASN V 76 -41.314 17.671 34.521 1.00 97.11 C0 +ATOM 4546 OD1 ASN V 76 -41.887 18.168 35.496 1.00 88.85 O0 +ATOM 4547 ND2 ASN V 76 -40.392 16.715 34.621 1.00 78.21 N0 +ATOM 4548 H ASN V 76 -38.764 19.425 33.337 1.00 62.69 H0 +ATOM 4549 HA ASN V 76 -39.920 17.890 32.090 1.00 71.01 H0 +ATOM 4550 HB2 ASN V 76 -42.353 18.850 33.207 1.00 83.47 H0 +ATOM 4551 HB3 ASN V 76 -42.099 17.391 32.650 1.00 83.47 H0 +ATOM 4552 HD21 ASN V 76 -40.149 16.416 35.417 1.00 78.21 H0 +ATOM 4553 HD22 ASN V 76 -40.022 16.379 33.892 1.00 78.21 H0 +ATOM 4554 N THR V 77 -40.101 19.918 30.270 1.00 57.78 N0 +ATOM 4555 CA THR V 77 -40.460 20.668 29.049 1.00 62.74 C0 +ATOM 4556 C THR V 77 -39.580 20.219 27.892 1.00 57.84 C0 +ATOM 4557 O THR V 77 -38.351 20.089 28.043 1.00 58.86 O0 +ATOM 4558 CB THR V 77 -40.458 22.178 29.296 1.00 63.99 C0 +ATOM 4559 OG1 THR V 77 -41.349 22.398 30.390 1.00 65.78 O0 +ATOM 4560 CG2 THR V 77 -40.961 22.960 28.103 1.00 68.23 C0 +ATOM 4561 H THR V 77 -39.134 19.880 30.558 1.00 57.78 H0 +ATOM 4562 HA THR V 77 -41.400 20.458 28.826 1.00 62.74 H0 +ATOM 4563 HB THR V 77 -39.531 22.458 29.497 1.00 63.99 H0 +ATOM 4564 HG1 THR V 77 -41.382 23.218 30.565 0.00 65.78 H0 +ATOM 4565 HG21 THR V 77 -40.382 22.780 27.321 1.00 68.23 H0 +ATOM 4566 HG22 THR V 77 -40.941 23.927 28.308 1.00 68.23 H0 +ATOM 4567 HG23 THR V 77 -41.889 22.687 27.895 1.00 68.23 H0 +ATOM 4568 N LEU V 78 -40.231 20.002 26.767 1.00 54.69 N0 +ATOM 4569 CA LEU V 78 -39.542 19.736 25.497 1.00 54.01 C0 +ATOM 4570 C LEU V 78 -39.747 20.956 24.598 1.00 52.10 C0 +ATOM 4571 O LEU V 78 -40.854 21.531 24.633 1.00 49.85 O0 +ATOM 4572 CB LEU V 78 -40.140 18.470 24.893 1.00 48.43 C0 +ATOM 4573 CG LEU V 78 -39.539 18.071 23.551 1.00 55.78 C0 +ATOM 4574 CD1 LEU V 78 -38.165 17.447 23.738 1.00 60.34 C0 +ATOM 4575 CD2 LEU V 78 -40.474 17.129 22.817 1.00 57.76 C0 +ATOM 4576 H LEU V 78 -41.241 20.021 26.785 1.00 54.69 H0 +ATOM 4577 HA LEU V 78 -38.581 19.618 25.681 1.00 54.01 H0 +ATOM 4578 HB2 LEU V 78 -40.016 17.737 25.529 1.00 48.43 H0 +ATOM 4579 HB3 LEU V 78 -41.102 18.606 24.784 1.00 48.43 H0 +ATOM 4580 HG LEU V 78 -39.432 18.890 23.007 1.00 55.78 H0 +ATOM 4581 HD11 LEU V 78 -37.573 18.088 24.169 1.00 60.34 H0 +ATOM 4582 HD12 LEU V 78 -37.800 17.199 22.871 1.00 60.34 H0 +ATOM 4583 HD13 LEU V 78 -38.242 16.653 24.295 1.00 60.34 H0 +ATOM 4584 HD21 LEU V 78 -40.616 16.329 23.353 1.00 57.76 H0 +ATOM 4585 HD22 LEU V 78 -40.080 16.882 21.962 1.00 57.76 H0 +ATOM 4586 HD23 LEU V 78 -41.327 17.572 22.664 1.00 57.76 H0 +ATOM 4587 N TYR V 79 -38.719 21.291 23.818 1.00 48.29 N0 +ATOM 4588 CA TYR V 79 -38.643 22.498 22.968 1.00 48.64 C0 +ATOM 4589 C TYR V 79 -38.366 22.097 21.513 1.00 51.00 C0 +ATOM 4590 O TYR V 79 -37.715 21.069 21.301 1.00 55.48 O0 +ATOM 4591 CB TYR V 79 -37.547 23.413 23.491 1.00 49.61 C0 +ATOM 4592 CG TYR V 79 -37.809 23.950 24.861 1.00 61.38 C0 +ATOM 4593 CD1 TYR V 79 -38.860 24.819 25.077 1.00 64.31 C0 +ATOM 4594 CD2 TYR V 79 -37.012 23.586 25.933 1.00 66.83 C0 +ATOM 4595 CE1 TYR V 79 -39.118 25.324 26.335 1.00 62.47 C0 +ATOM 4596 CE2 TYR V 79 -37.269 24.063 27.200 1.00 67.83 C0 +ATOM 4597 CZ TYR V 79 -38.329 24.928 27.399 1.00 68.37 C0 +ATOM 4598 OH TYR V 79 -38.611 25.413 28.640 1.00 79.79 O0 +ATOM 4599 H TYR V 79 -37.941 20.647 23.829 1.00 48.29 H0 +ATOM 4600 HA TYR V 79 -39.518 22.963 23.000 1.00 48.64 H0 +ATOM 4601 HB2 TYR V 79 -36.703 22.915 23.494 1.00 49.61 H0 +ATOM 4602 HB3 TYR V 79 -37.442 24.160 22.865 1.00 49.61 H0 +ATOM 4603 HD1 TYR V 79 -39.409 25.069 24.352 1.00 64.31 H0 +ATOM 4604 HD2 TYR V 79 -36.282 23.004 25.800 1.00 66.83 H0 +ATOM 4605 HE1 TYR V 79 -39.839 25.917 26.469 1.00 62.47 H0 +ATOM 4606 HE2 TYR V 79 -36.734 23.796 27.930 1.00 67.83 H0 +ATOM 4607 HH TYR V 79 -39.288 25.938 28.603 0.00 79.79 H0 +ATOM 4608 N LEU V 80 -38.909 22.850 20.549 1.00 50.17 N0 +ATOM 4609 CA LEU V 80 -38.457 22.844 19.128 1.00 48.89 C0 +ATOM 4610 C LEU V 80 -38.217 24.281 18.690 1.00 46.01 C0 +ATOM 4611 O LEU V 80 -39.155 25.069 18.746 1.00 54.56 O0 +ATOM 4612 CB LEU V 80 -39.488 22.174 18.231 1.00 48.01 C0 +ATOM 4613 CG LEU V 80 -38.984 21.772 16.845 1.00 49.21 C0 +ATOM 4614 CD1 LEU V 80 -37.834 20.785 16.951 1.00 50.27 C0 +ATOM 4615 CD2 LEU V 80 -40.095 21.173 16.015 1.00 52.62 C0 +ATOM 4616 H LEU V 80 -39.672 23.454 20.821 1.00 50.17 H0 +ATOM 4617 HA LEU V 80 -37.610 22.343 19.072 1.00 48.89 H0 +ATOM 4618 HB2 LEU V 80 -39.818 21.374 18.686 1.00 48.01 H0 +ATOM 4619 HB3 LEU V 80 -40.244 22.784 18.122 1.00 48.01 H0 +ATOM 4620 HG LEU V 80 -38.666 22.588 16.386 1.00 49.21 H0 +ATOM 4621 HD11 LEU V 80 -37.101 21.192 17.445 1.00 50.27 H0 +ATOM 4622 HD12 LEU V 80 -37.530 20.543 16.059 1.00 50.27 H0 +ATOM 4623 HD13 LEU V 80 -38.134 19.986 17.418 1.00 50.27 H0 +ATOM 4624 HD21 LEU V 80 -40.443 20.382 16.462 1.00 52.62 H0 +ATOM 4625 HD22 LEU V 80 -39.749 20.927 15.139 1.00 52.62 H0 +ATOM 4626 HD23 LEU V 80 -40.809 21.825 15.909 1.00 52.62 H0 +ATOM 4627 N GLN V 81 -36.964 24.630 18.433 1.00 47.86 N0 +ATOM 4628 CA GLN V 81 -36.590 25.913 17.809 1.00 49.23 C0 +ATOM 4629 C GLN V 81 -36.713 25.696 16.287 1.00 55.69 C0 +ATOM 4630 O GLN V 81 -36.077 24.769 15.740 1.00 49.82 O0 +ATOM 4631 CB GLN V 81 -35.191 26.324 18.238 1.00 46.63 C0 +ATOM 4632 CG GLN V 81 -34.751 27.652 17.633 1.00 55.55 C0 +ATOM 4633 CD GLN V 81 -35.728 28.780 17.871 1.00 57.16 C0 +ATOM 4634 OE1 GLN V 81 -36.320 28.905 18.934 1.00 54.80 O0 +ATOM 4635 NE2 GLN V 81 -35.862 29.656 16.882 1.00 63.75 N0 +ATOM 4636 H GLN V 81 -36.238 23.974 18.683 1.00 47.86 H0 +ATOM 4637 HA GLN V 81 -37.225 26.603 18.109 1.00 49.23 H0 +ATOM 4638 HB2 GLN V 81 -35.171 26.388 19.216 1.00 46.63 H0 +ATOM 4639 HB3 GLN V 81 -34.564 25.620 17.971 1.00 46.63 H0 +ATOM 4640 HG2 GLN V 81 -33.884 27.909 18.014 1.00 55.55 H0 +ATOM 4641 HG3 GLN V 81 -34.635 27.543 16.665 1.00 55.55 H0 +ATOM 4642 HE21 GLN V 81 -36.420 30.336 16.966 1.00 63.75 H0 +ATOM 4643 HE22 GLN V 81 -35.393 29.559 16.139 1.00 63.75 H0 +ATOM 4644 N MET V 82 -37.591 26.441 15.637 1.00 49.32 N0 +ATOM 4645 CA MET V 82 -37.780 26.349 14.171 1.00 53.07 C0 +ATOM 4646 C MET V 82 -37.271 27.636 13.523 1.00 50.76 C0 +ATOM 4647 O MET V 82 -37.917 28.671 13.689 1.00 52.02 O0 +ATOM 4648 CB MET V 82 -39.254 26.111 13.880 1.00 51.27 C0 +ATOM 4649 CG MET V 82 -39.717 24.817 14.520 1.00 55.92 C0 +ATOM 4650 SD MET V 82 -41.499 24.714 14.678 1.00 59.71 S0 +ATOM 4651 CE MET V 82 -41.922 24.244 13.002 1.00 58.35 C0 +ATOM 4652 H MET V 82 -38.150 27.095 16.166 1.00 49.32 H0 +ATOM 4653 HA MET V 82 -37.250 25.590 13.835 1.00 53.07 H0 +ATOM 4654 HB2 MET V 82 -39.767 26.868 14.226 1.00 51.27 H0 +ATOM 4655 HB3 MET V 82 -39.380 26.078 12.911 1.00 51.27 H0 +ATOM 4656 HG2 MET V 82 -39.405 24.060 13.979 1.00 55.92 H0 +ATOM 4657 HG3 MET V 82 -39.317 24.737 15.412 1.00 55.92 H0 +ATOM 4658 HE1 MET V 82 -42.874 24.147 12.928 1.00 58.35 H0 +ATOM 4659 HE2 MET V 82 -41.621 24.923 12.394 1.00 58.35 H0 +ATOM 4660 HE3 MET V 82 -41.495 23.406 12.786 1.00 58.35 H0 +ATOM 4661 N ASN V 83 -36.139 27.553 12.829 1.00 47.82 N0 +ATOM 4662 CA ASN V 83 -35.587 28.666 12.018 1.00 50.72 C0 +ATOM 4663 C ASN V 83 -35.905 28.509 10.534 1.00 51.84 C0 +ATOM 4664 O ASN V 83 -36.216 27.393 10.100 1.00 48.04 O0 +ATOM 4665 CB ASN V 83 -34.083 28.761 12.188 1.00 54.30 C0 +ATOM 4666 CG ASN V 83 -33.696 29.002 13.630 1.00 58.11 C0 +ATOM 4667 OD1 ASN V 83 -32.649 28.551 14.071 1.00 66.24 O0 +ATOM 4668 ND2 ASN V 83 -34.502 29.748 14.355 1.00 58.48 N0 +ATOM 4669 H ASN V 83 -35.639 26.676 12.867 1.00 47.82 H0 +ATOM 4670 HA ASN V 83 -36.000 29.508 12.321 1.00 50.72 H0 +ATOM 4671 HB2 ASN V 83 -33.675 27.929 11.871 1.00 54.30 H0 +ATOM 4672 HB3 ASN V 83 -33.746 29.491 11.629 1.00 54.30 H0 +ATOM 4673 HD21 ASN V 83 -34.310 29.912 15.202 1.00 58.48 H0 +ATOM 4674 HD22 ASN V 83 -35.235 30.085 13.995 1.00 58.48 H0 +ATOM 4675 N SER V 84 -35.825 29.628 9.802 1.00 53.23 N0 +ATOM 4676 CA SER V 84 -35.896 29.701 8.321 1.00 53.11 C0 +ATOM 4677 C SER V 84 -37.112 28.916 7.891 1.00 52.67 C0 +ATOM 4678 O SER V 84 -36.971 27.971 7.090 1.00 60.38 O0 +ATOM 4679 CB SER V 84 -34.647 29.199 7.676 1.00 55.15 C0 +ATOM 4680 OG SER V 84 -33.532 29.806 8.313 1.00 60.88 O0 +ATOM 4681 H SER V 84 -35.706 30.480 10.332 1.00 53.23 H0 +ATOM 4682 HA SER V 84 -36.010 30.650 8.066 1.00 53.11 H0 +ATOM 4683 HB2 SER V 84 -34.605 28.215 7.767 1.00 55.15 H0 +ATOM 4684 HB3 SER V 84 -34.662 29.426 6.713 1.00 55.15 H0 +ATOM 4685 HG SER V 84 -32.831 29.523 7.950 0.00 60.88 H0 +ATOM 4686 N LEU V 85 -38.247 29.276 8.477 1.00 51.57 N0 +ATOM 4687 CA LEU V 85 -39.528 28.596 8.184 1.00 53.57 C0 +ATOM 4688 C LEU V 85 -39.829 28.696 6.685 1.00 57.61 C0 +ATOM 4689 O LEU V 85 -39.504 29.739 6.073 1.00 58.66 O0 +ATOM 4690 CB LEU V 85 -40.639 29.203 9.042 1.00 53.92 C0 +ATOM 4691 CG LEU V 85 -40.585 28.797 10.518 1.00 51.51 C0 +ATOM 4692 CD1 LEU V 85 -41.557 29.611 11.329 1.00 53.88 C0 +ATOM 4693 CD2 LEU V 85 -40.845 27.322 10.706 1.00 50.57 C0 +ATOM 4694 H LEU V 85 -38.234 30.036 9.142 1.00 51.57 H0 +ATOM 4695 HA LEU V 85 -39.439 27.645 8.426 1.00 53.57 H0 +ATOM 4696 HB2 LEU V 85 -40.582 30.177 8.975 1.00 53.92 H0 +ATOM 4697 HB3 LEU V 85 -41.500 28.932 8.666 1.00 53.92 H0 +ATOM 4698 HG LEU V 85 -39.674 28.985 10.854 1.00 51.51 H0 +ATOM 4699 HD11 LEU V 85 -41.332 30.555 11.253 1.00 53.88 H0 +ATOM 4700 HD12 LEU V 85 -41.509 29.339 12.262 1.00 53.88 H0 +ATOM 4701 HD13 LEU V 85 -42.459 29.466 10.996 1.00 53.88 H0 +ATOM 4702 HD21 LEU V 85 -41.727 27.101 10.361 1.00 50.57 H0 +ATOM 4703 HD22 LEU V 85 -40.802 27.103 11.653 1.00 50.57 H0 +ATOM 4704 HD23 LEU V 85 -40.172 26.810 10.224 1.00 50.57 H0 +ATOM 4705 N LYS V 86 -40.411 27.623 6.144 1.00 54.79 N0 +ATOM 4706 CA LYS V 86 -40.858 27.486 4.744 1.00 53.43 C0 +ATOM 4707 C LYS V 86 -42.326 27.129 4.761 1.00 57.94 C0 +ATOM 4708 O LYS V 86 -42.818 26.580 5.739 1.00 56.12 O0 +ATOM 4709 CB LYS V 86 -40.092 26.353 4.067 1.00 64.31 C0 +ATOM 4710 CG LYS V 86 -38.583 26.502 4.120 1.00 59.92 C0 +ATOM 4711 CD LYS V 86 -37.826 25.413 3.416 1.00 65.50 C0 +ATOM 4712 CE LYS V 86 -36.346 25.740 3.346 1.00 70.95 C0 +ATOM 4713 NZ LYS V 86 -35.533 24.553 3.007 1.00 69.44 N0 +ATOM 4714 H LYS V 86 -40.543 26.850 6.781 1.00 54.79 H0 +ATOM 4715 HA LYS V 86 -40.735 28.352 4.291 1.00 53.43 H0 +ATOM 4716 HB2 LYS V 86 -40.347 25.507 4.491 1.00 64.31 H0 +ATOM 4717 HB3 LYS V 86 -40.378 26.299 3.131 1.00 64.31 H0 +ATOM 4718 HG2 LYS V 86 -38.339 27.359 3.711 1.00 59.92 H0 +ATOM 4719 HG3 LYS V 86 -38.302 26.512 5.060 1.00 59.92 H0 +ATOM 4720 HD2 LYS V 86 -37.960 24.568 3.896 1.00 65.50 H0 +ATOM 4721 HD3 LYS V 86 -38.189 25.304 2.511 1.00 65.50 H0 +ATOM 4722 HE2 LYS V 86 -36.195 26.429 2.672 1.00 70.95 H0 +ATOM 4723 HE3 LYS V 86 -36.048 26.092 4.206 1.00 70.95 H0 +ATOM 4724 HZ1 LYS V 86 -35.651 23.910 3.636 1.00 69.44 H0 +ATOM 4725 HZ2 LYS V 86 -34.656 24.782 2.971 1.00 69.44 H0 +ATOM 4726 HZ3 LYS V 86 -35.787 24.227 2.200 1.00 69.44 H0 +ATOM 4727 N PRO V 87 -43.070 27.411 3.679 1.00 64.38 N0 +ATOM 4728 CA PRO V 87 -44.499 27.127 3.669 1.00 61.16 C0 +ATOM 4729 C PRO V 87 -44.790 25.643 3.958 1.00 57.19 C0 +ATOM 4730 O PRO V 87 -45.807 25.379 4.588 1.00 55.35 O0 +ATOM 4731 CB PRO V 87 -44.930 27.555 2.251 1.00 71.42 C0 +ATOM 4732 CG PRO V 87 -43.847 28.525 1.788 1.00 67.32 C0 +ATOM 4733 CD PRO V 87 -42.578 27.998 2.418 1.00 69.90 C0 +ATOM 4734 HA PRO V 87 -44.950 27.694 4.343 1.00 61.16 H0 +ATOM 4735 HB2 PRO V 87 -44.988 26.781 1.653 1.00 71.42 H0 +ATOM 4736 HB3 PRO V 87 -45.808 27.990 2.267 1.00 71.42 H0 +ATOM 4737 HG2 PRO V 87 -43.783 28.535 0.810 1.00 67.32 H0 +ATOM 4738 HG3 PRO V 87 -44.043 29.437 2.089 1.00 67.32 H0 +ATOM 4739 HD2 PRO V 87 -42.151 27.332 1.839 1.00 69.90 H0 +ATOM 4740 HD3 PRO V 87 -41.937 28.723 2.570 1.00 69.90 H0 +ATOM 4741 N GLU V 88 -43.920 24.726 3.510 1.00 54.76 N0 +ATOM 4742 CA GLU V 88 -44.093 23.246 3.687 1.00 68.07 C0 +ATOM 4743 C GLU V 88 -43.815 22.810 5.140 1.00 59.84 C0 +ATOM 4744 O GLU V 88 -44.088 21.628 5.479 1.00 56.18 O0 +ATOM 4745 CB GLU V 88 -43.228 22.436 2.712 1.00 68.66 C0 +ATOM 4746 CG GLU V 88 -41.737 22.695 2.804 1.00 82.00 C0 +ATOM 4747 CD GLU V 88 -41.223 23.753 1.836 1.00 91.45 C0 +ATOM 4748 OE1 GLU V 88 -41.984 24.695 1.535 1.00 83.02 O0 +ATOM 4749 OE2 GLU V 88 -40.057 23.632 1.387 1.00102.20 O0 +ATOM 4750 H GLU V 88 -43.104 25.072 3.026 1.00 54.76 H0 +ATOM 4751 HA GLU V 88 -45.027 23.014 3.479 1.00 68.07 H0 +ATOM 4752 HB2 GLU V 88 -43.380 21.482 2.878 1.00 68.66 H0 +ATOM 4753 HB3 GLU V 88 -43.515 22.640 1.797 1.00 68.66 H0 +ATOM 4754 HG2 GLU V 88 -41.519 22.976 3.718 1.00 82.00 H0 +ATOM 4755 HG3 GLU V 88 -41.257 21.856 2.633 1.00 82.00 H0 +ATOM 4756 N ASP V 89 -43.347 23.726 5.991 1.00 56.70 N0 +ATOM 4757 CA ASP V 89 -43.273 23.506 7.461 1.00 54.51 C0 +ATOM 4758 C ASP V 89 -44.680 23.598 8.071 1.00 54.26 C0 +ATOM 4759 O ASP V 89 -44.866 23.213 9.229 1.00 57.27 O0 +ATOM 4760 CB ASP V 89 -42.292 24.491 8.096 1.00 49.41 C0 +ATOM 4761 CG ASP V 89 -40.856 24.198 7.755 1.00 52.13 C0 +ATOM 4762 OD1 ASP V 89 -40.522 22.996 7.638 1.00 54.63 O0 +ATOM 4763 OD2 ASP V 89 -40.066 25.170 7.661 1.00 53.48 O0 +ATOM 4764 H ASP V 89 -43.031 24.606 5.608 1.00 56.70 H0 +ATOM 4765 HA ASP V 89 -42.918 22.601 7.624 1.00 54.51 H0 +ATOM 4766 HB2 ASP V 89 -42.502 25.391 7.772 1.00 49.41 H0 +ATOM 4767 HB3 ASP V 89 -42.388 24.441 9.069 1.00 49.41 H0 +ATOM 4768 N THR V 90 -45.652 24.089 7.322 1.00 54.09 N0 +ATOM 4769 CA THR V 90 -47.046 24.257 7.791 1.00 54.65 C0 +ATOM 4770 C THR V 90 -47.615 22.903 8.190 1.00 53.93 C0 +ATOM 4771 O THR V 90 -47.665 22.036 7.347 1.00 60.79 O0 +ATOM 4772 CB THR V 90 -47.915 24.884 6.700 1.00 53.10 C0 +ATOM 4773 OG1 THR V 90 -47.362 26.196 6.519 1.00 54.36 O0 +ATOM 4774 CG2 THR V 90 -49.386 24.899 7.073 1.00 49.25 C0 +ATOM 4775 H THR V 90 -45.414 24.360 6.379 1.00 54.09 H0 +ATOM 4776 HA THR V 90 -47.032 24.840 8.590 1.00 54.65 H0 +ATOM 4777 HB THR V 90 -47.797 24.359 5.870 1.00 53.10 H0 +ATOM 4778 HG1 THR V 90 -47.794 26.604 5.927 0.00 54.36 H0 +ATOM 4779 HG21 THR V 90 -49.700 23.972 7.218 1.00 49.25 H0 +ATOM 4780 HG22 THR V 90 -49.909 25.311 6.341 1.00 49.25 H0 +ATOM 4781 HG23 THR V 90 -49.512 25.423 7.902 1.00 49.25 H0 +ATOM 4782 N ALA V 91 -48.080 22.749 9.422 1.00 55.30 N0 +ATOM 4783 CA ALA V 91 -48.530 21.438 9.913 1.00 54.51 C0 +ATOM 4784 C ALA V 91 -49.065 21.578 11.321 1.00 53.40 C0 +ATOM 4785 O ALA V 91 -48.866 22.609 11.965 1.00 56.91 O0 +ATOM 4786 CB ALA V 91 -47.375 20.446 9.866 1.00 52.74 C0 +ATOM 4787 H ALA V 91 -48.127 23.548 10.038 1.00 55.30 H0 +ATOM 4788 HA ALA V 91 -49.259 21.119 9.331 1.00 54.51 H0 +ATOM 4789 HB1 ALA V 91 -47.675 19.583 10.191 1.00 52.74 H0 +ATOM 4790 HB2 ALA V 91 -47.062 20.356 8.952 1.00 52.74 H0 +ATOM 4791 HB3 ALA V 91 -46.648 20.766 10.426 1.00 52.74 H0 +ATOM 4792 N VAL V 92 -49.702 20.524 11.782 1.00 52.98 N0 +ATOM 4793 CA VAL V 92 -49.914 20.337 13.236 1.00 57.68 C0 +ATOM 4794 C VAL V 92 -48.679 19.600 13.759 1.00 57.69 C0 +ATOM 4795 O VAL V 92 -48.344 18.552 13.174 1.00 59.64 O0 +ATOM 4796 CB VAL V 92 -51.206 19.560 13.504 1.00 64.94 C0 +ATOM 4797 CG1 VAL V 92 -51.458 19.431 15.001 1.00 70.44 C0 +ATOM 4798 CG2 VAL V 92 -52.398 20.183 12.774 1.00 64.40 C0 +ATOM 4799 H VAL V 92 -50.054 19.829 11.140 1.00 52.98 H0 +ATOM 4800 HA VAL V 92 -49.973 21.215 13.653 1.00 57.68 H0 +ATOM 4801 HB VAL V 92 -51.078 18.647 13.147 1.00 64.94 H0 +ATOM 4802 HG11 VAL V 92 -50.715 18.958 15.416 1.00 70.44 H0 +ATOM 4803 HG12 VAL V 92 -52.282 18.936 15.150 1.00 70.44 H0 +ATOM 4804 HG13 VAL V 92 -51.537 20.317 15.395 1.00 70.44 H0 +ATOM 4805 HG21 VAL V 92 -52.521 21.099 13.077 1.00 64.40 H0 +ATOM 4806 HG22 VAL V 92 -53.201 19.667 12.964 1.00 64.40 H0 +ATOM 4807 HG23 VAL V 92 -52.230 20.179 11.816 1.00 64.40 H0 +ATOM 4808 N TYR V 93 -48.029 20.146 14.790 1.00 50.28 N0 +ATOM 4809 CA TYR V 93 -46.835 19.572 15.457 1.00 54.61 C0 +ATOM 4810 C TYR V 93 -47.333 18.870 16.718 1.00 56.76 C0 +ATOM 4811 O TYR V 93 -48.161 19.463 17.432 1.00 59.23 O0 +ATOM 4812 CB TYR V 93 -45.767 20.638 15.707 1.00 49.33 C0 +ATOM 4813 CG TYR V 93 -45.076 21.055 14.439 1.00 53.13 C0 +ATOM 4814 CD1 TYR V 93 -45.752 21.763 13.463 1.00 56.21 C0 +ATOM 4815 CD2 TYR V 93 -43.763 20.708 14.182 1.00 53.93 C0 +ATOM 4816 CE1 TYR V 93 -45.145 22.124 12.276 1.00 55.11 C0 +ATOM 4817 CE2 TYR V 93 -43.142 21.062 12.997 1.00 56.76 C0 +ATOM 4818 CZ TYR V 93 -43.830 21.780 12.040 1.00 53.59 C0 +ATOM 4819 OH TYR V 93 -43.225 22.122 10.863 1.00 53.08 O0 +ATOM 4820 H TYR V 93 -48.405 21.023 15.122 1.00 50.28 H0 +ATOM 4821 HA TYR V 93 -46.420 18.910 14.847 1.00 54.61 H0 +ATOM 4822 HB2 TYR V 93 -46.194 21.412 16.130 1.00 49.33 H0 +ATOM 4823 HB3 TYR V 93 -45.116 20.280 16.346 1.00 49.33 H0 +ATOM 4824 HD1 TYR V 93 -46.658 21.985 13.598 1.00 56.21 H0 +ATOM 4825 HD2 TYR V 93 -43.279 20.219 14.827 1.00 53.93 H0 +ATOM 4826 HE1 TYR V 93 -45.627 22.607 11.625 1.00 55.11 H0 +ATOM 4827 HE2 TYR V 93 -42.243 20.820 12.849 1.00 56.76 H0 +ATOM 4828 HH TYR V 93 -43.776 22.547 10.362 0.00 53.08 H0 +ATOM 4829 N TYR V 94 -46.937 17.609 16.908 1.00 56.53 N0 +ATOM 4830 CA TYR V 94 -47.338 16.793 18.077 1.00 56.12 C0 +ATOM 4831 C TYR V 94 -46.078 16.461 18.848 1.00 55.36 C0 +ATOM 4832 O TYR V 94 -45.065 16.124 18.230 1.00 57.25 O0 +ATOM 4833 CB TYR V 94 -48.072 15.507 17.707 1.00 57.48 C0 +ATOM 4834 CG TYR V 94 -49.322 15.710 16.899 1.00 54.49 C0 +ATOM 4835 CD1 TYR V 94 -49.258 15.794 15.522 1.00 58.77 C0 +ATOM 4836 CD2 TYR V 94 -50.564 15.771 17.496 1.00 56.18 C0 +ATOM 4837 CE1 TYR V 94 -50.400 15.951 14.754 1.00 57.20 C0 +ATOM 4838 CE2 TYR V 94 -51.720 15.929 16.746 1.00 54.39 C0 +ATOM 4839 CZ TYR V 94 -51.637 16.031 15.366 1.00 58.19 C0 +ATOM 4840 OH TYR V 94 -52.751 16.191 14.579 1.00 63.61 O0 +ATOM 4841 H TYR V 94 -46.332 17.203 16.209 1.00 56.53 H0 +ATOM 4842 HA TYR V 94 -47.941 17.333 18.648 1.00 56.12 H0 +ATOM 4843 HB2 TYR V 94 -47.457 14.933 17.203 1.00 57.48 H0 +ATOM 4844 HB3 TYR V 94 -48.301 15.032 18.533 1.00 57.48 H0 +ATOM 4845 HD1 TYR V 94 -48.421 15.723 15.093 1.00 58.77 H0 +ATOM 4846 HD2 TYR V 94 -50.630 15.702 18.434 1.00 56.18 H0 +ATOM 4847 HE1 TYR V 94 -50.335 16.006 13.815 1.00 57.20 H0 +ATOM 4848 HE2 TYR V 94 -52.559 15.982 17.173 1.00 54.39 H0 +ATOM 4849 HH TYR V 94 -52.524 16.223 13.752 0.00 63.61 H0 +ATOM 4850 N CYS V 95 -46.171 16.639 20.155 1.00 47.78 N0 +ATOM 4851 CA CYS V 95 -45.212 16.168 21.157 1.00 54.55 C0 +ATOM 4852 C CYS V 95 -45.468 14.675 21.402 1.00 51.69 C0 +ATOM 4853 O CYS V 95 -46.649 14.235 21.382 1.00 54.74 O0 +ATOM 4854 CB CYS V 95 -45.477 16.986 22.406 1.00 64.51 C0 +ATOM 4855 SG CYS V 95 -44.345 16.668 23.774 1.00 80.15 S0 +ATOM 4856 H CYS V 95 -46.988 17.149 20.457 1.00 47.78 H0 +ATOM 4857 HA CYS V 95 -44.302 16.285 20.788 1.00 54.55 H0 +ATOM 4858 HB2 CYS V 95 -45.418 17.947 22.182 1.00 64.51 H0 +ATOM 4859 HB3 CYS V 95 -46.395 16.803 22.724 1.00 64.51 H0 +ATOM 4860 N TRP V 96 -44.421 13.921 21.668 1.00 57.30 N0 +ATOM 4861 CA TRP V 96 -44.493 12.450 21.834 1.00 53.65 C0 +ATOM 4862 C TRP V 96 -43.484 12.025 22.881 1.00 59.02 C0 +ATOM 4863 O TRP V 96 -42.377 12.615 22.920 1.00 55.75 O0 +ATOM 4864 CB TRP V 96 -44.221 11.784 20.505 1.00 57.28 C0 +ATOM 4865 CG TRP V 96 -44.245 10.292 20.503 1.00 62.62 C0 +ATOM 4866 CD1 TRP V 96 -45.303 9.493 20.193 1.00 64.03 C0 +ATOM 4867 CD2 TRP V 96 -43.130 9.419 20.725 1.00 59.15 C0 +ATOM 4868 NE1 TRP V 96 -44.931 8.182 20.252 1.00 67.16 N0 +ATOM 4869 CE2 TRP V 96 -43.603 8.104 20.565 1.00 61.24 C0 +ATOM 4870 CE3 TRP V 96 -41.792 9.622 21.073 1.00 62.10 C0 +ATOM 4871 CZ2 TRP V 96 -42.773 6.993 20.710 1.00 59.98 C0 +ATOM 4872 CZ3 TRP V 96 -40.972 8.530 21.222 1.00 59.88 C0 +ATOM 4873 CH2 TRP V 96 -41.455 7.235 21.026 1.00 59.70 C0 +ATOM 4874 H TRP V 96 -43.528 14.384 21.761 1.00 57.30 H0 +ATOM 4875 HA TRP V 96 -45.400 12.222 22.145 1.00 53.65 H0 +ATOM 4876 HB2 TRP V 96 -44.890 12.096 19.862 1.00 57.28 H0 +ATOM 4877 HB3 TRP V 96 -43.338 12.071 20.193 1.00 57.28 H0 +ATOM 4878 HD1 TRP V 96 -46.160 9.799 19.939 1.00 64.03 H0 +ATOM 4879 HE1 TRP V 96 -45.455 7.498 20.089 1.00 67.16 H0 +ATOM 4880 HE3 TRP V 96 -41.453 10.496 21.185 1.00 62.10 H0 +ATOM 4881 HZ2 TRP V 96 -43.099 6.116 20.597 1.00 59.98 H0 +ATOM 4882 HZ3 TRP V 96 -40.067 8.658 21.457 1.00 59.88 H0 +ATOM 4883 HH2 TRP V 96 -40.871 6.505 21.135 1.00 59.70 H0 +ATOM 4884 N ASP V 97 -43.876 11.052 23.696 1.00 59.43 N0 +ATOM 4885 CA ASP V 97 -43.063 10.562 24.833 1.00 61.17 C0 +ATOM 4886 C ASP V 97 -43.236 9.051 24.953 1.00 63.81 C0 +ATOM 4887 O ASP V 97 -44.388 8.566 24.917 1.00 57.56 O0 +ATOM 4888 CB ASP V 97 -43.468 11.250 26.129 1.00 64.66 C0 +ATOM 4889 CG ASP V 97 -42.621 10.825 27.308 1.00 70.65 C0 +ATOM 4890 OD1 ASP V 97 -41.527 11.392 27.483 1.00 75.17 O0 +ATOM 4891 OD2 ASP V 97 -43.047 9.900 28.005 1.00 76.84 O0 +ATOM 4892 H ASP V 97 -44.778 10.633 23.519 1.00 59.43 H0 +ATOM 4893 HA ASP V 97 -42.115 10.762 24.649 1.00 61.17 H0 +ATOM 4894 HB2 ASP V 97 -43.365 12.217 26.013 1.00 64.66 H0 +ATOM 4895 HB3 ASP V 97 -44.399 11.020 26.324 1.00 64.66 H0 +ATOM 4896 N LEU V 98 -42.119 8.342 25.065 1.00 67.31 N0 +ATOM 4897 CA LEU V 98 -42.099 6.885 25.333 1.00 73.09 C0 +ATOM 4898 C LEU V 98 -41.843 6.697 26.831 1.00 74.66 C0 +ATOM 4899 O LEU V 98 -40.706 6.953 27.280 1.00 64.72 O0 +ATOM 4900 CB LEU V 98 -41.018 6.227 24.475 1.00 71.26 C0 +ATOM 4901 CG LEU V 98 -40.998 4.695 24.464 1.00 63.49 C0 +ATOM 4902 CD1 LEU V 98 -42.322 4.110 24.017 1.00 61.92 C0 +ATOM 4903 CD2 LEU V 98 -39.897 4.206 23.550 1.00 64.04 C0 +ATOM 4904 H LEU V 98 -41.244 8.835 24.960 1.00 67.31 H0 +ATOM 4905 HA LEU V 98 -42.980 6.512 25.098 1.00 73.09 H0 +ATOM 4906 HB2 LEU V 98 -41.127 6.535 23.553 1.00 71.26 H0 +ATOM 4907 HB3 LEU V 98 -40.145 6.539 24.787 1.00 71.26 H0 +ATOM 4908 HG LEU V 98 -40.806 4.384 25.383 1.00 63.49 H0 +ATOM 4909 HD11 LEU V 98 -43.026 4.400 24.623 1.00 61.92 H0 +ATOM 4910 HD12 LEU V 98 -42.266 3.139 24.023 1.00 61.92 H0 +ATOM 4911 HD13 LEU V 98 -42.524 4.416 23.116 1.00 61.92 H0 +ATOM 4912 HD21 LEU V 98 -40.055 4.533 22.647 1.00 64.04 H0 +ATOM 4913 HD22 LEU V 98 -39.886 3.233 23.546 1.00 64.04 H0 +ATOM 4914 HD23 LEU V 98 -39.039 4.537 23.869 1.00 64.04 H0 +ATOM 4915 N GLY V 99 -42.902 6.358 27.570 1.00 86.08 N0 +ATOM 4916 CA GLY V 99 -42.858 6.088 29.019 1.00 94.00 C0 +ATOM 4917 C GLY V 99 -42.314 4.704 29.295 1.00 89.41 C0 +ATOM 4918 O GLY V 99 -42.559 3.797 28.486 1.00 79.13 O0 +ATOM 4919 H GLY V 99 -43.784 6.287 27.083 1.00 86.08 H0 +ATOM 4920 HA2 GLY V 99 -42.286 6.767 29.457 1.00 94.00 H0 +ATOM 4921 HA3 GLY V 99 -43.772 6.170 29.391 1.00 94.00 H0 +ATOM 4922 N HIS V 100 -41.572 4.566 30.385 1.00101.85 N0 +ATOM 4923 CA HIS V 100 -40.964 3.291 30.828 1.00115.61 C0 +ATOM 4924 C HIS V 100 -41.234 3.106 32.333 1.00124.89 C0 +ATOM 4925 O HIS V 100 -41.318 1.938 32.758 1.00114.58 O0 +ATOM 4926 CB HIS V 100 -39.499 3.289 30.349 1.00118.43 C0 +ATOM 4927 CG HIS V 100 -38.648 2.244 30.974 1.00134.46 C0 +ATOM 4928 ND1 HIS V 100 -39.030 0.920 31.019 1.00142.91 N0 +ATOM 4929 CD2 HIS V 100 -37.446 2.323 31.585 1.00137.14 C0 +ATOM 4930 CE1 HIS V 100 -38.106 0.221 31.643 1.00147.31 C0 +ATOM 4931 NE2 HIS V 100 -37.118 1.061 31.998 1.00149.22 N0 +ATOM 4932 H HIS V 100 -41.424 5.400 30.936 1.00101.85 H0 +ATOM 4933 HA HIS V 100 -41.402 2.557 30.337 1.00115.61 H0 +ATOM 4934 HB2 HIS V 100 -39.485 3.158 29.375 1.00118.43 H0 +ATOM 4935 HB3 HIS V 100 -39.102 4.167 30.542 1.00118.43 H0 +ATOM 4936 HD1 HIS V 100 -39.777 0.597 30.696 0.00142.91 H0 +ATOM 4937 HD2 HIS V 100 -36.928 3.097 31.707 1.00137.14 H0 +ATOM 4938 HE1 HIS V 100 -38.133 -0.707 31.803 1.00147.31 H0 +ATOM 4939 HE2 HIS V 100 -36.387 0.835 32.427 0.00149.22 H0 +ATOM 4940 N ARG V 101 -41.464 4.203 33.079 1.00142.15 N0 +ATOM 4941 CA ARG V 101 -41.500 4.240 34.572 1.00139.16 C0 +ATOM 4942 C ARG V 101 -42.631 3.352 35.097 1.00136.46 C0 +ATOM 4943 O ARG V 101 -42.324 2.334 35.709 1.00148.81 O0 +ATOM 4944 CB ARG V 101 -41.546 5.682 35.096 1.00143.90 C0 +ATOM 4945 CG ARG V 101 -41.569 5.788 36.616 1.00156.98 C0 +ATOM 4946 CD ARG V 101 -41.828 7.193 37.142 1.00163.24 C0 +ATOM 4947 NE ARG V 101 -40.638 8.043 37.144 1.00172.95 N0 +ATOM 4948 CZ ARG V 101 -40.586 9.303 37.591 1.00156.82 C0 +ATOM 4949 NH1 ARG V 101 -41.669 9.889 38.078 1.00150.89 N0 +ATOM 4950 NH2 ARG V 101 -39.448 9.980 37.531 1.00132.62 N0 +ATOM 4951 H ARG V 101 -41.622 5.056 32.561 1.00142.15 H0 +ATOM 4952 HA ARG V 101 -40.642 3.887 34.915 1.00139.16 H0 +ATOM 4953 HB2 ARG V 101 -40.754 6.166 34.754 1.00143.90 H0 +ATOM 4954 HB3 ARG V 101 -42.353 6.123 34.733 1.00143.90 H0 +ATOM 4955 HG2 ARG V 101 -42.274 5.194 36.974 1.00156.98 H0 +ATOM 4956 HG3 ARG V 101 -40.701 5.482 36.977 1.00156.98 H0 +ATOM 4957 HD2 ARG V 101 -42.523 7.625 36.587 1.00163.24 H0 +ATOM 4958 HD3 ARG V 101 -42.176 7.135 38.066 1.00163.24 H0 +ATOM 4959 HE ARG V 101 -39.874 7.698 36.819 1.00172.95 H0 +ATOM 4960 HH11 ARG V 101 -42.446 9.438 38.109 1.00150.89 H0 +ATOM 4961 HH12 ARG V 101 -41.624 10.736 38.376 1.00150.89 H0 +ATOM 4962 HH21 ARG V 101 -38.713 9.591 37.190 1.00132.62 H0 +ATOM 4963 HH22 ARG V 101 -39.414 10.827 37.832 1.00132.62 H0 +ATOM 4964 N PRO V 102 -43.946 3.616 34.896 1.00127.78 N0 +ATOM 4965 CA PRO V 102 -44.949 2.677 35.384 1.00120.81 C0 +ATOM 4966 C PRO V 102 -44.793 1.461 34.473 1.00118.81 C0 +ATOM 4967 O PRO V 102 -44.314 0.442 34.911 1.00 98.98 O0 +ATOM 4968 CB PRO V 102 -46.295 3.343 35.110 1.00115.90 C0 +ATOM 4969 CG PRO V 102 -45.966 4.773 34.783 1.00126.41 C0 +ATOM 4970 CD PRO V 102 -44.586 4.729 34.172 1.00127.82 C0 +ATOM 4971 HA PRO V 102 -44.778 2.483 36.340 1.00120.81 H0 +ATOM 4972 HB2 PRO V 102 -46.755 2.910 34.361 1.00115.90 H0 +ATOM 4973 HB3 PRO V 102 -46.880 3.289 35.894 1.00115.90 H0 +ATOM 4974 HG2 PRO V 102 -46.617 5.146 34.153 1.00126.41 H0 +ATOM 4975 HG3 PRO V 102 -45.975 5.327 35.592 1.00126.41 H0 +ATOM 4976 HD2 PRO V 102 -44.636 4.562 33.208 1.00127.82 H0 +ATOM 4977 HD3 PRO V 102 -44.116 5.578 34.309 1.00127.82 H0 +ATOM 4978 N TYR V 103 -45.225 1.604 33.230 1.00115.84 N0 +ATOM 4979 CA TYR V 103 -45.042 0.545 32.211 1.00111.98 C0 +ATOM 4980 C TYR V 103 -44.378 1.162 30.983 1.00 97.03 C0 +ATOM 4981 O TYR V 103 -44.070 2.358 30.984 1.00 94.24 O0 +ATOM 4982 CB TYR V 103 -46.389 -0.087 31.868 1.00111.30 C0 +ATOM 4983 CG TYR V 103 -47.200 -0.459 33.077 1.00131.59 C0 +ATOM 4984 CD1 TYR V 103 -47.019 -1.687 33.694 1.00145.69 C0 +ATOM 4985 CD2 TYR V 103 -48.129 0.418 33.619 1.00136.54 C0 +ATOM 4986 CE1 TYR V 103 -47.753 -2.050 34.811 1.00142.95 C0 +ATOM 4987 CE2 TYR V 103 -48.874 0.070 34.736 1.00147.65 C0 +ATOM 4988 CZ TYR V 103 -48.685 -1.170 35.332 1.00149.94 C0 +ATOM 4989 OH TYR V 103 -49.403 -1.541 36.432 1.00142.10 O0 +ATOM 4990 H TYR V 103 -45.693 2.461 32.971 1.00115.84 H0 +ATOM 4991 HA TYR V 103 -44.443 -0.152 32.583 1.00111.98 H0 +ATOM 4992 HB2 TYR V 103 -46.895 0.544 31.315 1.00111.30 H0 +ATOM 4993 HB3 TYR V 103 -46.227 -0.886 31.323 1.00111.30 H0 +ATOM 4994 HD1 TYR V 103 -46.381 -2.288 33.347 1.00145.69 H0 +ATOM 4995 HD2 TYR V 103 -48.259 1.265 33.225 1.00136.54 H0 +ATOM 4996 HE1 TYR V 103 -47.615 -2.890 35.216 1.00142.95 H0 +ATOM 4997 HE2 TYR V 103 -49.509 0.671 35.089 1.00147.65 H0 +ATOM 4998 HH TYR V 103 -49.172 -2.329 36.682 0.00142.10 H0 +ATOM 4999 N PHE V 104 -44.163 0.337 29.968 1.00 88.52 N0 +ATOM 5000 CA PHE V 104 -43.698 0.760 28.631 1.00 80.33 C0 +ATOM 5001 C PHE V 104 -44.899 1.202 27.796 1.00 78.70 C0 +ATOM 5002 O PHE V 104 -45.738 0.356 27.421 1.00 74.65 O0 +ATOM 5003 CB PHE V 104 -42.951 -0.380 27.965 1.00 75.17 C0 +ATOM 5004 CG PHE V 104 -42.160 0.024 26.755 1.00 73.45 C0 +ATOM 5005 CD1 PHE V 104 -41.002 0.768 26.889 1.00 75.35 C0 +ATOM 5006 CD2 PHE V 104 -42.558 -0.379 25.492 1.00 69.14 C0 +ATOM 5007 CE1 PHE V 104 -40.260 1.115 25.771 1.00 69.54 C0 +ATOM 5008 CE2 PHE V 104 -41.805 -0.043 24.384 1.00 68.30 C0 +ATOM 5009 CZ PHE V 104 -40.664 0.704 24.527 1.00 64.45 C0 +ATOM 5010 H PHE V 104 -44.335 -0.643 30.142 1.00 88.52 H0 +ATOM 5011 HA PHE V 104 -43.087 1.533 28.739 1.00 80.33 H0 +ATOM 5012 HB2 PHE V 104 -42.347 -0.781 28.624 1.00 75.17 H0 +ATOM 5013 HB3 PHE V 104 -43.600 -1.068 27.709 1.00 75.17 H0 +ATOM 5014 HD1 PHE V 104 -40.708 1.023 27.749 1.00 75.35 H0 +ATOM 5015 HD2 PHE V 104 -43.347 -0.886 25.386 1.00 69.14 H0 +ATOM 5016 HE1 PHE V 104 -39.471 1.623 25.871 1.00 69.54 H0 +ATOM 5017 HE2 PHE V 104 -42.079 -0.324 23.525 1.00 68.30 H0 +ATOM 5018 HZ PHE V 104 -40.159 0.940 23.765 1.00 64.45 H0 +ATOM 5019 N LYS V 105 -44.996 2.508 27.548 1.00 74.23 N0 +ATOM 5020 CA LYS V 105 -46.121 3.114 26.793 1.00 76.04 C0 +ATOM 5021 C LYS V 105 -45.619 4.389 26.112 1.00 74.70 C0 +ATOM 5022 O LYS V 105 -44.680 5.017 26.630 1.00 75.36 O0 +ATOM 5023 CB LYS V 105 -47.318 3.401 27.713 1.00 77.80 C0 +ATOM 5024 CG LYS V 105 -48.652 3.045 27.062 1.00 96.59 C0 +ATOM 5025 CD LYS V 105 -49.910 3.753 27.545 1.00 99.69 C0 +ATOM 5026 CE LYS V 105 -51.075 3.364 26.646 1.00107.45 C0 +ATOM 5027 NZ LYS V 105 -52.342 4.045 26.993 1.00108.06 N0 +ATOM 5028 H LYS V 105 -44.260 3.104 27.897 1.00 74.23 H0 +ATOM 5029 HA LYS V 105 -46.415 2.474 26.104 1.00 76.04 H0 +ATOM 5030 HB2 LYS V 105 -47.201 2.894 28.543 1.00 77.80 H0 +ATOM 5031 HB3 LYS V 105 -47.304 4.350 27.956 1.00 77.80 H0 +ATOM 5032 HG2 LYS V 105 -48.590 3.229 26.100 1.00 96.59 H0 +ATOM 5033 HG3 LYS V 105 -48.815 2.086 27.188 1.00 96.59 H0 +ATOM 5034 HD2 LYS V 105 -50.084 3.496 28.476 1.00 99.69 H0 +ATOM 5035 HD3 LYS V 105 -49.759 4.722 27.525 1.00 99.69 H0 +ATOM 5036 HE2 LYS V 105 -50.859 3.581 25.719 1.00107.45 H0 +ATOM 5037 HE3 LYS V 105 -51.224 2.401 26.702 1.00107.45 H0 +ATOM 5038 HZ1 LYS V 105 -52.577 3.840 27.845 1.00108.06 H0 +ATOM 5039 HZ2 LYS V 105 -52.998 3.779 26.426 1.00108.06 H0 +ATOM 5040 HZ3 LYS V 105 -52.237 4.943 26.923 1.00108.06 H0 +ATOM 5041 N ASP V 106 -46.214 4.754 24.983 1.00 79.88 N0 +ATOM 5042 CA ASP V 106 -45.949 6.059 24.328 1.00 85.14 C0 +ATOM 5043 C ASP V 106 -47.195 6.927 24.489 1.00 83.39 C0 +ATOM 5044 O ASP V 106 -48.316 6.378 24.538 1.00 83.93 O0 +ATOM 5045 CB ASP V 106 -45.485 5.918 22.873 1.00 81.72 C0 +ATOM 5046 CG ASP V 106 -46.509 5.387 21.891 1.00 71.64 C0 +ATOM 5047 OD1 ASP V 106 -47.541 4.883 22.346 1.00 75.84 O0 +ATOM 5048 OD2 ASP V 106 -46.233 5.454 20.662 1.00 87.62 O0 +ATOM 5049 H ASP V 106 -46.871 4.115 24.559 1.00 79.88 H0 +ATOM 5050 HA ASP V 106 -45.188 6.489 24.784 1.00 85.14 H0 +ATOM 5051 HB2 ASP V 106 -45.220 6.801 22.545 1.00 81.72 H0 +ATOM 5052 HB3 ASP V 106 -44.729 5.296 22.847 1.00 81.72 H0 +ATOM 5053 N TYR V 107 -46.984 8.231 24.589 1.00 79.41 N0 +ATOM 5054 CA TYR V 107 -48.052 9.238 24.790 1.00 78.47 C0 +ATOM 5055 C TYR V 107 -47.922 10.332 23.729 1.00 73.70 C0 +ATOM 5056 O TYR V 107 -46.796 10.648 23.279 1.00 64.97 O0 +ATOM 5057 CB TYR V 107 -47.966 9.809 26.199 1.00 78.08 C0 +ATOM 5058 CG TYR V 107 -47.836 8.781 27.296 1.00 87.55 C0 +ATOM 5059 CD1 TYR V 107 -48.957 8.240 27.912 1.00 86.79 C0 +ATOM 5060 CD2 TYR V 107 -46.591 8.379 27.752 1.00 87.83 C0 +ATOM 5061 CE1 TYR V 107 -48.845 7.322 28.943 1.00 82.11 C0 +ATOM 5062 CE2 TYR V 107 -46.461 7.460 28.781 1.00 87.03 C0 +ATOM 5063 CZ TYR V 107 -47.592 6.936 29.385 1.00 84.95 C0 +ATOM 5064 OH TYR V 107 -47.462 6.040 30.409 1.00 78.88 O0 +ATOM 5065 H TYR V 107 -46.024 8.538 24.521 1.00 79.41 H0 +ATOM 5066 HA TYR V 107 -48.930 8.794 24.678 1.00 78.47 H0 +ATOM 5067 HB2 TYR V 107 -47.196 10.414 26.242 1.00 78.08 H0 +ATOM 5068 HB3 TYR V 107 -48.768 10.347 26.365 1.00 78.08 H0 +ATOM 5069 HD1 TYR V 107 -49.815 8.521 27.639 1.00 86.79 H0 +ATOM 5070 HD2 TYR V 107 -45.815 8.738 27.354 1.00 87.83 H0 +ATOM 5071 HE1 TYR V 107 -49.619 6.967 29.347 1.00 82.11 H0 +ATOM 5072 HE2 TYR V 107 -45.604 7.200 29.078 1.00 87.03 H0 +ATOM 5073 HH TYR V 107 -48.236 5.797 30.686 0.00 78.88 H0 +ATOM 5074 N TRP V 108 -49.070 10.879 23.351 1.00 60.46 N0 +ATOM 5075 CA TRP V 108 -49.244 11.907 22.302 1.00 65.85 C0 +ATOM 5076 C TRP V 108 -49.830 13.167 22.926 1.00 67.12 C0 +ATOM 5077 O TRP V 108 -50.722 13.021 23.770 1.00 65.80 O0 +ATOM 5078 CB TRP V 108 -50.200 11.400 21.237 1.00 61.29 C0 +ATOM 5079 CG TRP V 108 -49.610 10.359 20.358 1.00 68.53 C0 +ATOM 5080 CD1 TRP V 108 -49.882 9.027 20.377 1.00 67.61 C0 +ATOM 5081 CD2 TRP V 108 -48.674 10.571 19.292 1.00 72.27 C0 +ATOM 5082 NE1 TRP V 108 -49.167 8.394 19.404 1.00 73.71 N0 +ATOM 5083 CE2 TRP V 108 -48.430 9.312 18.708 1.00 71.23 C0 +ATOM 5084 CE3 TRP V 108 -48.019 11.691 18.774 1.00 68.35 C0 +ATOM 5085 CZ2 TRP V 108 -47.553 9.141 17.639 1.00 66.73 C0 +ATOM 5086 CZ3 TRP V 108 -47.154 11.524 17.714 1.00 69.22 C0 +ATOM 5087 CH2 TRP V 108 -46.923 10.265 17.158 1.00 69.75 C0 +ATOM 5088 H TRP V 108 -49.882 10.539 23.847 1.00 60.46 H0 +ATOM 5089 HA TRP V 108 -48.355 12.115 21.928 1.00 65.85 H0 +ATOM 5090 HB2 TRP V 108 -50.990 11.034 21.683 1.00 61.29 H0 +ATOM 5091 HB3 TRP V 108 -50.481 12.161 20.690 1.00 61.29 H0 +ATOM 5092 HD1 TRP V 108 -50.490 8.604 20.964 1.00 67.61 H0 +ATOM 5093 HE1 TRP V 108 -49.189 7.533 19.237 1.00 73.71 H0 +ATOM 5094 HE3 TRP V 108 -48.164 12.546 19.146 1.00 68.35 H0 +ATOM 5095 HZ2 TRP V 108 -47.399 8.291 17.262 1.00 66.73 H0 +ATOM 5096 HZ3 TRP V 108 -46.706 12.275 17.357 1.00 69.22 H0 +ATOM 5097 HH2 TRP V 108 -46.326 10.184 16.435 1.00 69.75 H0 +ATOM 5098 N GLY V 109 -49.394 14.344 22.472 1.00 64.88 N0 +ATOM 5099 CA GLY V 109 -50.130 15.607 22.689 1.00 61.49 C0 +ATOM 5100 C GLY V 109 -51.304 15.704 21.734 1.00 58.59 C0 +ATOM 5101 O GLY V 109 -51.421 14.845 20.841 1.00 62.26 O0 +ATOM 5102 H GLY V 109 -48.484 14.398 22.038 1.00 64.88 H0 +ATOM 5103 HA2 GLY V 109 -50.449 15.638 23.626 1.00 61.49 H0 +ATOM 5104 HA3 GLY V 109 -49.513 16.369 22.549 1.00 61.49 H0 +ATOM 5105 N GLN V 110 -52.106 16.755 21.870 1.00 67.32 N0 +ATOM 5106 CA GLN V 110 -53.234 17.056 20.951 1.00 67.03 C0 +ATOM 5107 C GLN V 110 -52.741 17.883 19.757 1.00 59.93 C0 +ATOM 5108 O GLN V 110 -53.494 18.007 18.797 1.00 58.29 O0 +ATOM 5109 CB GLN V 110 -54.340 17.768 21.724 1.00 72.95 C0 +ATOM 5110 CG GLN V 110 -55.153 16.833 22.625 1.00 88.55 C0 +ATOM 5111 CD GLN V 110 -56.351 17.537 23.220 1.00 98.11 C0 +ATOM 5112 OE1 GLN V 110 -57.491 17.208 22.908 1.00101.82 O0 +ATOM 5113 NE2 GLN V 110 -56.104 18.544 24.051 1.00 86.24 N0 +ATOM 5114 H GLN V 110 -51.925 17.374 22.647 1.00 67.32 H0 +ATOM 5115 HA GLN V 110 -53.595 16.205 20.610 1.00 67.03 H0 +ATOM 5116 HB2 GLN V 110 -53.934 18.471 22.272 1.00 72.95 H0 +ATOM 5117 HB3 GLN V 110 -54.941 18.200 21.082 1.00 72.95 H0 +ATOM 5118 HG2 GLN V 110 -55.456 16.062 22.100 1.00 88.55 H0 +ATOM 5119 HG3 GLN V 110 -54.578 16.500 23.347 1.00 88.55 H0 +ATOM 5120 HE21 GLN V 110 -56.774 18.985 24.423 1.00 86.24 H0 +ATOM 5121 HE22 GLN V 110 -55.270 18.773 24.232 1.00 86.24 H0 +ATOM 5122 N GLY V 111 -51.548 18.474 19.836 1.00 53.01 N0 +ATOM 5123 CA GLY V 111 -50.909 19.163 18.697 1.00 58.70 C0 +ATOM 5124 C GLY V 111 -51.070 20.678 18.746 1.00 60.14 C0 +ATOM 5125 O GLY V 111 -51.943 21.191 19.469 1.00 58.13 O0 +ATOM 5126 H GLY V 111 -51.068 18.442 20.724 1.00 53.01 H0 +ATOM 5127 HA2 GLY V 111 -49.943 18.947 18.689 1.00 58.70 H0 +ATOM 5128 HA3 GLY V 111 -51.305 18.829 17.854 1.00 58.70 H0 +ATOM 5129 N THR V 112 -50.215 21.384 18.013 1.00 59.56 N0 +ATOM 5130 CA THR V 112 -50.215 22.860 17.905 1.00 52.13 C0 +ATOM 5131 C THR V 112 -50.015 23.189 16.430 1.00 58.43 C0 +ATOM 5132 O THR V 112 -49.086 22.611 15.814 1.00 59.28 O0 +ATOM 5133 CB THR V 112 -49.190 23.484 18.854 1.00 51.99 C0 +ATOM 5134 OG1 THR V 112 -49.374 24.902 18.820 1.00 57.87 O0 +ATOM 5135 CG2 THR V 112 -47.766 23.114 18.516 1.00 54.69 C0 +ATOM 5136 H THR V 112 -49.525 20.853 17.502 1.00 59.56 H0 +ATOM 5137 HA THR V 112 -51.097 23.189 18.206 1.00 52.13 H0 +ATOM 5138 HB THR V 112 -49.388 23.174 19.772 1.00 51.99 H0 +ATOM 5139 HG1 THR V 112 -48.822 25.270 19.334 0.00 57.87 H0 +ATOM 5140 HG21 THR V 112 -47.658 22.132 18.566 1.00 54.69 H0 +ATOM 5141 HG22 THR V 112 -47.150 23.543 19.160 1.00 54.69 H0 +ATOM 5142 HG23 THR V 112 -47.552 23.422 17.601 1.00 54.69 H0 +ATOM 5143 N GLN V 113 -50.910 24.019 15.890 1.00 57.09 N0 +ATOM 5144 CA GLN V 113 -50.948 24.389 14.458 1.00 54.53 C0 +ATOM 5145 C GLN V 113 -49.821 25.384 14.199 1.00 52.17 C0 +ATOM 5146 O GLN V 113 -49.748 26.408 14.878 1.00 51.27 O0 +ATOM 5147 CB GLN V 113 -52.282 25.019 14.067 1.00 58.23 C0 +ATOM 5148 CG GLN V 113 -52.324 25.444 12.607 1.00 61.41 C0 +ATOM 5149 CD GLN V 113 -52.307 24.249 11.683 1.00 60.83 C0 +ATOM 5150 OE1 GLN V 113 -53.076 23.321 11.864 1.00 72.05 O0 +ATOM 5151 NE2 GLN V 113 -51.410 24.239 10.709 1.00 62.49 N0 +ATOM 5152 H GLN V 113 -51.598 24.409 16.518 1.00 57.09 H0 +ATOM 5153 HA GLN V 113 -50.797 23.577 13.921 1.00 54.53 H0 +ATOM 5154 HB2 GLN V 113 -52.996 24.371 14.241 1.00 58.23 H0 +ATOM 5155 HB3 GLN V 113 -52.439 25.798 14.641 1.00 58.23 H0 +ATOM 5156 HG2 GLN V 113 -53.137 25.969 12.447 1.00 61.41 H0 +ATOM 5157 HG3 GLN V 113 -51.551 26.017 12.415 1.00 61.41 H0 +ATOM 5158 HE21 GLN V 113 -51.372 23.555 10.150 1.00 62.49 H0 +ATOM 5159 HE22 GLN V 113 -50.849 24.916 10.617 1.00 62.49 H0 +ATOM 5160 N VAL V 114 -48.997 25.078 13.222 1.00 53.85 N0 +ATOM 5161 CA VAL V 114 -48.036 26.031 12.631 1.00 54.37 C0 +ATOM 5162 C VAL V 114 -48.415 26.291 11.173 1.00 56.91 C0 +ATOM 5163 O VAL V 114 -48.597 25.325 10.401 1.00 61.21 O0 +ATOM 5164 CB VAL V 114 -46.608 25.510 12.796 1.00 54.59 C0 +ATOM 5165 CG1 VAL V 114 -45.600 26.506 12.262 1.00 52.78 C0 +ATOM 5166 CG2 VAL V 114 -46.329 25.205 14.263 1.00 58.68 C0 +ATOM 5167 H VAL V 114 -49.036 24.133 12.866 1.00 53.85 H0 +ATOM 5168 HA VAL V 114 -48.098 26.872 13.118 1.00 54.37 H0 +ATOM 5169 HB VAL V 114 -46.542 24.666 12.284 1.00 54.59 H0 +ATOM 5170 HG11 VAL V 114 -45.767 26.662 11.316 1.00 52.78 H0 +ATOM 5171 HG12 VAL V 114 -44.701 26.153 12.378 1.00 52.78 H0 +ATOM 5172 HG13 VAL V 114 -45.683 27.345 12.748 1.00 52.78 H0 +ATOM 5173 HG21 VAL V 114 -46.436 26.016 14.790 1.00 58.68 H0 +ATOM 5174 HG22 VAL V 114 -45.419 24.874 14.359 1.00 58.68 H0 +ATOM 5175 HG23 VAL V 114 -46.954 24.529 14.579 1.00 58.68 H0 +ATOM 5176 N THR V 115 -48.557 27.578 10.853 1.00 55.26 N0 +ATOM 5177 CA THR V 115 -48.924 28.121 9.534 1.00 54.03 C0 +ATOM 5178 C THR V 115 -47.815 29.076 9.085 1.00 58.74 C0 +ATOM 5179 O THR V 115 -47.580 30.099 9.763 1.00 53.41 O0 +ATOM 5180 CB THR V 115 -50.298 28.800 9.573 1.00 61.47 C0 +ATOM 5181 OG1 THR V 115 -51.197 27.982 10.335 1.00 63.54 O0 +ATOM 5182 CG2 THR V 115 -50.857 29.049 8.182 1.00 54.70 C0 +ATOM 5183 H THR V 115 -48.388 28.215 11.618 1.00 55.26 H0 +ATOM 5184 HA THR V 115 -48.980 27.366 8.897 1.00 54.03 H0 +ATOM 5185 HB THR V 115 -50.203 29.665 10.044 1.00 61.47 H0 +ATOM 5186 HG1 THR V 115 -51.953 28.345 10.363 0.00 63.54 H0 +ATOM 5187 HG21 THR V 115 -50.241 29.636 7.678 1.00 54.70 H0 +ATOM 5188 HG22 THR V 115 -51.740 29.487 8.254 1.00 54.70 H0 +ATOM 5189 HG23 THR V 115 -50.955 28.188 7.705 1.00 54.70 H0 +ATOM 5190 N VAL V 116 -47.145 28.714 7.996 1.00 56.46 N0 +ATOM 5191 CA VAL V 116 -46.090 29.536 7.368 1.00 60.69 C0 +ATOM 5192 C VAL V 116 -46.679 30.167 6.108 1.00 65.67 C0 +ATOM 5193 O VAL V 116 -46.921 29.438 5.138 1.00 66.06 O0 +ATOM 5194 CB VAL V 116 -44.835 28.704 7.094 1.00 57.26 C0 +ATOM 5195 CG1 VAL V 116 -43.696 29.593 6.608 1.00 58.22 C0 +ATOM 5196 CG2 VAL V 116 -44.437 27.954 8.350 1.00 57.18 C0 +ATOM 5197 H VAL V 116 -47.383 27.822 7.587 1.00 56.46 H0 +ATOM 5198 HA VAL V 116 -45.840 30.243 7.990 1.00 60.69 H0 +ATOM 5199 HB VAL V 116 -45.067 28.045 6.394 1.00 57.26 H0 +ATOM 5200 HG11 VAL V 116 -43.962 30.042 5.787 1.00 58.22 H0 +ATOM 5201 HG12 VAL V 116 -42.908 29.048 6.440 1.00 58.22 H0 +ATOM 5202 HG13 VAL V 116 -43.490 30.258 7.288 1.00 58.22 H0 +ATOM 5203 HG21 VAL V 116 -44.254 28.589 9.064 1.00 57.18 H0 +ATOM 5204 HG22 VAL V 116 -43.639 27.425 8.174 1.00 57.18 H0 +ATOM 5205 HG23 VAL V 116 -45.162 27.364 8.620 1.00 57.18 H0 +ATOM 5206 N SER V 117 -46.953 31.470 6.174 1.00 72.46 N0 +ATOM 5207 CA SER V 117 -47.401 32.303 5.034 1.00 77.13 C0 +ATOM 5208 C SER V 117 -46.192 32.628 4.161 1.00 82.56 C0 +ATOM 5209 O SER V 117 -45.078 32.760 4.697 1.00 77.45 O0 +ATOM 5210 CB SER V 117 -48.091 33.549 5.497 1.00 79.31 C0 +ATOM 5211 OG SER V 117 -47.177 34.422 6.135 1.00 76.68 O0 +ATOM 5212 H SER V 117 -46.839 31.898 7.082 1.00 72.46 H0 +ATOM 5213 HA SER V 117 -48.045 31.773 4.502 1.00 77.13 H0 +ATOM 5214 HB2 SER V 117 -48.495 34.007 4.719 1.00 79.31 H0 +ATOM 5215 HB3 SER V 117 -48.812 33.308 6.130 1.00 79.31 H0 +ATOM 5216 HG SER V 117 -47.592 35.108 6.382 0.00 76.68 H0 +ATOM 5217 N SER V 118 -46.423 32.739 2.858 1.00 97.37 N0 +ATOM 5218 CA SER V 118 -45.401 33.099 1.848 1.00112.23 C0 +ATOM 5219 C SER V 118 -45.632 34.559 1.417 1.00120.45 C0 +ATOM 5220 O SER V 118 -46.692 34.891 0.809 1.00 89.01 O0 +ATOM 5221 CB SER V 118 -45.444 32.117 0.696 1.00117.80 C0 +ATOM 5222 OG SER V 118 -44.150 31.600 0.422 1.00123.26 O0 +ATOM 5223 OXT SER V 118 -44.757 35.424 1.697 1.00101.87 O0 +ATOM 5224 H SER V 118 -47.371 32.561 2.558 1.00 97.37 H0 +ATOM 5225 HA SER V 118 -44.511 33.028 2.274 1.00112.23 H0 +ATOM 5226 HB2 SER V 118 -46.053 31.372 0.924 1.00117.80 H0 +ATOM 5227 HB3 SER V 118 -45.792 32.573 -0.110 1.00117.80 H0 +ATOM 5228 HG SER V 118 -44.208 31.061 -0.219 0.00123.26 H0 +TER 5229 SER V 118 +HETATM 5230 MG MG A 301 -43.154 3.580 11.017 1.00 88.08 MG0 +HETATM 5231 O HOH A 401 -28.602 5.839 20.222 1.00 67.32 O0 +HETATM 5232 O HOH A 402 -7.993 -42.493 35.199 1.00 62.95 O0 +HETATM 5233 O HOH A 403 -7.282 -38.725 45.832 1.00 60.12 O0 +HETATM 5234 O HOH A 404 -9.965 -42.012 32.842 1.00 64.65 O0 +HETATM 5235 O HOH A 405 -20.789 -48.292 37.262 1.00 66.55 O0 +HETATM 5236 O HOH A 406 -12.969 -52.296 40.316 1.00 61.25 O0 +HETATM 5237 O HOH A 407 -16.645 -29.367 36.985 1.00 54.44 O0 +HETATM 5238 O HOH A 408 -22.534 -26.995 34.315 1.00 55.43 O0 +HETATM 5239 O HOH A 409 -42.011 -1.131 8.336 1.00 81.99 O0 +HETATM 5240 O HOH A 410 -25.533 -22.214 46.264 1.00 77.98 O0 +HETATM 5241 O HOH A 411 -16.534 -29.803 48.120 1.00 63.49 O0 +HETATM 5242 O HOH A 412 -23.908 -52.923 44.484 1.00 59.08 O0 +HETATM 5243 O HOH A 413 -27.992 -23.984 25.881 1.00 60.71 O0 +HETATM 5244 O HOH A 414 -14.663 -35.914 50.772 1.00 59.19 O0 +HETATM 5245 O HOH A 415 -22.770 -38.603 47.788 1.00 52.46 O0 +HETATM 5246 O HOH A 416 -13.900 -44.893 51.232 1.00 56.65 O0 +HETATM 5247 O HOH A 417 -13.496 -40.490 32.601 1.00 53.79 O0 +HETATM 5248 O HOH A 418 -27.064 -0.782 24.874 1.00 75.94 O0 +HETATM 5249 O HOH A 419 -32.109 -21.312 36.544 1.00 56.22 O0 +HETATM 5250 O HOH A 420 -8.462 -34.135 36.537 1.00 57.75 O0 +HETATM 5251 O HOH A 421 -4.270 -39.080 39.088 1.00 63.81 O0 +HETATM 5252 O HOH A 422 -48.955 -5.776 15.170 1.00 80.86 O0 +HETATM 5253 O HOH A 423 -42.498 -15.082 30.852 1.00 66.48 O0 +HETATM 5254 O HOH A 424 -47.872 -7.162 26.974 1.00 73.18 O0 +HETATM 5255 O HOH A 425 -25.947 -33.013 36.474 1.00 56.41 O0 +HETATM 5256 O HOH A 426 -7.999 -49.370 53.218 1.00 79.91 O0 +HETATM 5257 O HOH A 427 -34.272 -25.704 34.920 1.00 58.62 O0 +HETATM 5258 O HOH A 428 -19.220 -45.476 32.218 1.00 79.52 O0 +HETATM 5259 O HOH V 201 -48.122 5.528 19.092 1.00 66.08 O0 +HETATM 5260 O HOH V 202 -29.390 19.060 18.099 1.00 63.69 O0 +HETATM 5261 O HOH V 203 -32.822 21.049 33.541 1.00 84.26 O0 +HETATM 5262 O HOH V 204 -34.628 23.579 21.019 1.00 55.29 O0 +HETATM 5263 O HOH V 205 -39.893 21.119 5.838 1.00 55.18 O0 +HETATM 5264 O HOH V 206 -37.011 32.403 17.239 1.00 50.66 O0 +HETATM 5265 O HOH V 207 -46.030 28.657 24.283 1.00 67.34 O0 +HETATM 5266 O HOH V 208 -35.359 32.378 10.767 1.00 54.57 O0 +HETATM 5267 O HOH V 209 -42.763 28.198 23.154 1.00 54.82 O0 +HETATM 5268 O HOH V 210 -30.601 20.454 12.800 1.00 69.72 O0 +HETATM 5269 O HOH V 211 -47.706 21.913 4.496 1.00 65.26 O0 +HETATM 5270 O HOH V 212 -47.011 15.656 7.137 1.00 61.86 O0 +HETATM 5271 O HOH V 213 -37.378 31.606 19.597 1.00 54.76 O0 +HETATM 5272 O HOH V 214 -38.778 21.558 3.479 1.00 58.94 O0 +HETATM 5273 O HOH V 215 -44.826 6.128 17.151 1.00 69.84 O0 +HETATM 5274 O HOH V 216 -32.256 30.522 17.147 1.00 73.28 O0 +HETATM 5275 O HOH V 217 -38.596 16.451 30.053 1.00 81.99 O0 +HETATM 5276 O HOH V 218 -41.924 29.976 24.615 1.00 55.30 O0 +CONECT 350 1553 +CONECT 1553 350 +CONECT 2208 3060 +CONECT 3060 2208 +CONECT 3751 4855 +CONECT 4855 3751 +MASTER 416 0 1 6 31 0 0 6 2683 2 6 28 +END diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/8s1x.cif b/models/rfd3/docs/tutorials/binder_design_tutorial_files/8s1x.cif new file mode 100644 index 00000000..c0e2782a --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/8s1x.cif @@ -0,0 +1,8618 @@ +data_8S1X +# +_entry.id 8S1X +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.402 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 8S1X pdb_00008s1x 10.2210/pdb8s1x/pdb +WWPDB D_1292136690 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +_pdbx_audit_revision_history.part_number +1 'Structure model' 1 0 2024-10-30 ? +2 'Structure model' 1 1 2025-01-15 ? +3 'Structure model' 1 2 2025-01-29 ? +4 'Structure model' 1 3 2025-03-26 ? +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Database references' +2 3 'Structure model' 'Database references' +3 4 'Structure model' 'Database references' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' citation +2 3 'Structure model' citation +3 3 'Structure model' citation_author +4 4 'Structure model' citation +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 2 'Structure model' '_citation.country' +2 2 'Structure model' '_citation.journal_abbrev' +3 2 'Structure model' '_citation.journal_id_ASTM' +4 2 'Structure model' '_citation.journal_id_CSD' +5 2 'Structure model' '_citation.journal_id_ISSN' +6 2 'Structure model' '_citation.pdbx_database_id_DOI' +7 2 'Structure model' '_citation.title' +8 2 'Structure model' '_citation.year' +9 3 'Structure model' '_citation.pdbx_database_id_PubMed' +10 3 'Structure model' '_citation.title' +11 4 'Structure model' '_citation.journal_volume' +12 4 'Structure model' '_citation.page_first' +13 4 'Structure model' '_citation.page_last' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 8S1X +_pdbx_database_status.recvd_initial_deposition_date 2024-02-16 +_pdbx_database_status.SG_entry N +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +# +_pdbx_contact_author.id 3 +_pdbx_contact_author.email bruno.correia@epfl.ch +_pdbx_contact_author.name_first Bruno +_pdbx_contact_author.name_last Correia +_pdbx_contact_author.name_mi E. +_pdbx_contact_author.role 'principal investigator/group leader' +_pdbx_contact_author.identifier_ORCID 0000-0002-7377-8636 +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Marchand, A.' 1 ? +'Pacesa, M.' 2 ? +'Correia, B.E.' 3 ? +# +_citation.abstract ? +_citation.abstract_id_CAS ? +_citation.book_id_ISBN ? +_citation.book_publisher ? +_citation.book_publisher_city ? +_citation.book_title ? +_citation.coordinate_linkage ? +_citation.country UK +_citation.database_id_Medline ? +_citation.details ? +_citation.id primary +_citation.journal_abbrev Nature +_citation.journal_id_ASTM NATUAS +_citation.journal_id_CSD 0006 +_citation.journal_id_ISSN 1476-4687 +_citation.journal_full ? +_citation.journal_issue ? +_citation.journal_volume 639 +_citation.language ? +_citation.page_first 522 +_citation.page_last 531 +_citation.title 'Targeting protein-ligand neosurfaces with a generalizable deep learning tool.' +_citation.year 2025 +_citation.database_id_CSD ? +_citation.pdbx_database_id_DOI 10.1038/s41586-024-08435-4 +_citation.pdbx_database_id_PubMed 39814890 +_citation.pdbx_database_id_patent ? +_citation.unpublished_flag ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Marchand, A.' 1 ? +primary 'Buckley, S.' 2 ? +primary 'Schneuing, A.' 3 ? +primary 'Pacesa, M.' 4 ? +primary 'Elia, M.' 5 ? +primary 'Gainza, P.' 6 ? +primary 'Elizarova, E.' 7 ? +primary 'Neeser, R.M.' 8 ? +primary 'Lee, P.W.' 9 ? +primary 'Reymond, L.' 10 ? +primary 'Miao, Y.' 11 ? +primary 'Scheller, L.' 12 ? +primary 'Georgeon, S.' 13 ? +primary 'Schmidt, J.' 14 ? +primary 'Schwaller, P.' 15 ? +primary 'Maerkl, S.J.' 16 ? +primary 'Bronstein, M.' 17 ? +primary 'Correia, B.E.' 18 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Peptide deformylase' 19391.156 1 3.5.1.88 ? ? Actionin +2 polymer man DBAct553_1 8152.354 1 ? ? ? Actionin +3 non-polymer syn 'ZINC ION' 65.409 1 ? ? ? ? +4 non-polymer syn ACTINONIN 385.498 1 ? ? ? ? +5 non-polymer syn 'FORMIC ACID' 46.025 8 ? ? ? ? +6 non-polymer syn 'PHOSPHATE ION' 94.971 4 ? ? ? ? +7 non-polymer syn 'POTASSIUM ION' 39.098 1 ? ? ? ? +8 water nat water 18.015 76 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name 'PDF,Polypeptide deformylase' +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSEDKSEPRVFINPEFEP +LTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKL +EKQHRQQA +; +;MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSEDKSEPRVFINPEFEP +LTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKL +EKQHRQQA +; +A ? +2 'polypeptide(L)' no no DYIRELRAALILLALKKQHAEDPDAQRVADELMKKLFDAAHRNDKDKVKKVVEEAKKVVSTYGSHHHHHH +DYIRELRAALILLALKKQHAEDPDAQRVADELMKKLFDAAHRNDKDKVKKVVEEAKKVVSTYGSHHHHHH B ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +3 'ZINC ION' ZN +4 ACTINONIN BB2 +5 'FORMIC ACID' FMT +6 'PHOSPHATE ION' PO4 +7 'POTASSIUM ION' K +8 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 ALA n +1 3 ILE n +1 4 LEU n +1 5 ASN n +1 6 ILE n +1 7 LEU n +1 8 GLU n +1 9 PHE n +1 10 PRO n +1 11 ASP n +1 12 PRO n +1 13 ARG n +1 14 LEU n +1 15 ARG n +1 16 THR n +1 17 ILE n +1 18 ALA n +1 19 LYS n +1 20 PRO n +1 21 VAL n +1 22 GLU n +1 23 VAL n +1 24 VAL n +1 25 ASP n +1 26 ASP n +1 27 ALA n +1 28 VAL n +1 29 ARG n +1 30 GLN n +1 31 LEU n +1 32 ILE n +1 33 ASP n +1 34 ASP n +1 35 MET n +1 36 PHE n +1 37 GLU n +1 38 THR n +1 39 MET n +1 40 TYR n +1 41 GLU n +1 42 ALA n +1 43 PRO n +1 44 GLY n +1 45 ILE n +1 46 GLY n +1 47 LEU n +1 48 ALA n +1 49 ALA n +1 50 THR n +1 51 GLN n +1 52 VAL n +1 53 ASN n +1 54 VAL n +1 55 HIS n +1 56 LYS n +1 57 ARG n +1 58 ILE n +1 59 VAL n +1 60 VAL n +1 61 MET n +1 62 ASP n +1 63 LEU n +1 64 SER n +1 65 GLU n +1 66 ASP n +1 67 LYS n +1 68 SER n +1 69 GLU n +1 70 PRO n +1 71 ARG n +1 72 VAL n +1 73 PHE n +1 74 ILE n +1 75 ASN n +1 76 PRO n +1 77 GLU n +1 78 PHE n +1 79 GLU n +1 80 PRO n +1 81 LEU n +1 82 THR n +1 83 GLU n +1 84 ASP n +1 85 MET n +1 86 ASP n +1 87 GLN n +1 88 TYR n +1 89 GLN n +1 90 GLU n +1 91 GLY n +1 92 CYS n +1 93 LEU n +1 94 SER n +1 95 VAL n +1 96 PRO n +1 97 GLY n +1 98 PHE n +1 99 TYR n +1 100 GLU n +1 101 ASN n +1 102 VAL n +1 103 ASP n +1 104 ARG n +1 105 PRO n +1 106 GLN n +1 107 LYS n +1 108 VAL n +1 109 ARG n +1 110 ILE n +1 111 LYS n +1 112 ALA n +1 113 LEU n +1 114 ASP n +1 115 ARG n +1 116 ASP n +1 117 GLY n +1 118 ASN n +1 119 PRO n +1 120 PHE n +1 121 GLU n +1 122 GLU n +1 123 VAL n +1 124 ALA n +1 125 GLU n +1 126 GLY n +1 127 LEU n +1 128 LEU n +1 129 ALA n +1 130 VAL n +1 131 CYS n +1 132 ILE n +1 133 GLN n +1 134 HIS n +1 135 GLU n +1 136 CYS n +1 137 ASP n +1 138 HIS n +1 139 LEU n +1 140 ASN n +1 141 GLY n +1 142 LYS n +1 143 LEU n +1 144 PHE n +1 145 VAL n +1 146 ASP n +1 147 TYR n +1 148 LEU n +1 149 SER n +1 150 THR n +1 151 LEU n +1 152 LYS n +1 153 ARG n +1 154 ASP n +1 155 ARG n +1 156 ILE n +1 157 ARG n +1 158 LYS n +1 159 LYS n +1 160 LEU n +1 161 GLU n +1 162 LYS n +1 163 GLN n +1 164 HIS n +1 165 ARG n +1 166 GLN n +1 167 GLN n +1 168 ALA n +2 1 ASP n +2 2 TYR n +2 3 ILE n +2 4 ARG n +2 5 GLU n +2 6 LEU n +2 7 ARG n +2 8 ALA n +2 9 ALA n +2 10 LEU n +2 11 ILE n +2 12 LEU n +2 13 LEU n +2 14 ALA n +2 15 LEU n +2 16 LYS n +2 17 LYS n +2 18 GLN n +2 19 HIS n +2 20 ALA n +2 21 GLU n +2 22 ASP n +2 23 PRO n +2 24 ASP n +2 25 ALA n +2 26 GLN n +2 27 ARG n +2 28 VAL n +2 29 ALA n +2 30 ASP n +2 31 GLU n +2 32 LEU n +2 33 MET n +2 34 LYS n +2 35 LYS n +2 36 LEU n +2 37 PHE n +2 38 ASP n +2 39 ALA n +2 40 ALA n +2 41 HIS n +2 42 ARG n +2 43 ASN n +2 44 ASP n +2 45 LYS n +2 46 ASP n +2 47 LYS n +2 48 VAL n +2 49 LYS n +2 50 LYS n +2 51 VAL n +2 52 VAL n +2 53 GLU n +2 54 GLU n +2 55 ALA n +2 56 LYS n +2 57 LYS n +2 58 VAL n +2 59 VAL n +2 60 SER n +2 61 THR n +2 62 TYR n +2 63 GLY n +2 64 SER n +2 65 HIS n +2 66 HIS n +2 67 HIS n +2 68 HIS n +2 69 HIS n +2 70 HIS n +# +loop_ +_entity_src_gen.entity_id +_entity_src_gen.pdbx_src_id +_entity_src_gen.pdbx_alt_source_flag +_entity_src_gen.pdbx_seq_type +_entity_src_gen.pdbx_beg_seq_num +_entity_src_gen.pdbx_end_seq_num +_entity_src_gen.gene_src_common_name +_entity_src_gen.gene_src_genus +_entity_src_gen.pdbx_gene_src_gene +_entity_src_gen.gene_src_species +_entity_src_gen.gene_src_strain +_entity_src_gen.gene_src_tissue +_entity_src_gen.gene_src_tissue_fraction +_entity_src_gen.gene_src_details +_entity_src_gen.pdbx_gene_src_fragment +_entity_src_gen.pdbx_gene_src_scientific_name +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id +_entity_src_gen.pdbx_gene_src_variant +_entity_src_gen.pdbx_gene_src_cell_line +_entity_src_gen.pdbx_gene_src_atcc +_entity_src_gen.pdbx_gene_src_organ +_entity_src_gen.pdbx_gene_src_organelle +_entity_src_gen.pdbx_gene_src_cell +_entity_src_gen.pdbx_gene_src_cellular_location +_entity_src_gen.host_org_common_name +_entity_src_gen.pdbx_host_org_scientific_name +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id +_entity_src_gen.host_org_genus +_entity_src_gen.pdbx_host_org_gene +_entity_src_gen.pdbx_host_org_organ +_entity_src_gen.host_org_species +_entity_src_gen.pdbx_host_org_tissue +_entity_src_gen.pdbx_host_org_tissue_fraction +_entity_src_gen.pdbx_host_org_strain +_entity_src_gen.pdbx_host_org_variant +_entity_src_gen.pdbx_host_org_cell_line +_entity_src_gen.pdbx_host_org_atcc +_entity_src_gen.pdbx_host_org_culture_collection +_entity_src_gen.pdbx_host_org_cell +_entity_src_gen.pdbx_host_org_organelle +_entity_src_gen.pdbx_host_org_cellular_location +_entity_src_gen.pdbx_host_org_vector_type +_entity_src_gen.pdbx_host_org_vector +_entity_src_gen.host_org_details +_entity_src_gen.expression_system_id +_entity_src_gen.plasmid_name +_entity_src_gen.plasmid_details +_entity_src_gen.pdbx_description +1 1 sample 'Biological sequence' 1 168 ? ? 'def, PA0019' ? ? ? ? ? ? 'Pseudomonas aeruginosa' 287 ? ? ? ? ? ? ? ? +'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +2 1 sample 'Biological sequence' 1 70 ? ? ? ? ? ? ? ? ? 'synthetic construct' 32630 ? ? ? ? ? ? ? ? +'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +BB2 non-polymer . ACTINONIN +'2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE' +'C19 H35 N3 O5' 385.498 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +FMT non-polymer . 'FORMIC ACID' ? 'C H2 O2' 46.025 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +K non-polymer . 'POTASSIUM ION' ? 'K 1' 39.098 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 1 ? ? ? A . n +A 1 2 ALA 2 2 2 ALA ALA A . n +A 1 3 ILE 3 3 3 ILE ILE A . n +A 1 4 LEU 4 4 4 LEU LEU A . n +A 1 5 ASN 5 5 5 ASN ASN A . n +A 1 6 ILE 6 6 6 ILE ILE A . n +A 1 7 LEU 7 7 7 LEU LEU A . n +A 1 8 GLU 8 8 8 GLU GLU A . n +A 1 9 PHE 9 9 9 PHE PHE A . n +A 1 10 PRO 10 10 10 PRO PRO A . n +A 1 11 ASP 11 11 11 ASP ASP A . n +A 1 12 PRO 12 12 12 PRO PRO A . n +A 1 13 ARG 13 13 13 ARG ARG A . n +A 1 14 LEU 14 14 14 LEU LEU A . n +A 1 15 ARG 15 15 15 ARG ARG A . n +A 1 16 THR 16 16 16 THR THR A . n +A 1 17 ILE 17 17 17 ILE ILE A . n +A 1 18 ALA 18 18 18 ALA ALA A . n +A 1 19 LYS 19 19 19 LYS LYS A . n +A 1 20 PRO 20 20 20 PRO PRO A . n +A 1 21 VAL 21 21 21 VAL VAL A . n +A 1 22 GLU 22 22 22 GLU GLU A . n +A 1 23 VAL 23 23 23 VAL VAL A . n +A 1 24 VAL 24 24 24 VAL VAL A . n +A 1 25 ASP 25 25 25 ASP ASP A . n +A 1 26 ASP 26 26 26 ASP ASP A . n +A 1 27 ALA 27 27 27 ALA ALA A . n +A 1 28 VAL 28 28 28 VAL VAL A . n +A 1 29 ARG 29 29 29 ARG ARG A . n +A 1 30 GLN 30 30 30 GLN GLN A . n +A 1 31 LEU 31 31 31 LEU LEU A . n +A 1 32 ILE 32 32 32 ILE ILE A . n +A 1 33 ASP 33 33 33 ASP ASP A . n +A 1 34 ASP 34 34 34 ASP ASP A . n +A 1 35 MET 35 35 35 MET MET A . n +A 1 36 PHE 36 36 36 PHE PHE A . n +A 1 37 GLU 37 37 37 GLU GLU A . n +A 1 38 THR 38 38 38 THR THR A . n +A 1 39 MET 39 39 39 MET MET A . n +A 1 40 TYR 40 40 40 TYR TYR A . n +A 1 41 GLU 41 41 41 GLU GLU A . n +A 1 42 ALA 42 42 42 ALA ALA A . n +A 1 43 PRO 43 43 43 PRO PRO A . n +A 1 44 GLY 44 44 44 GLY GLY A . n +A 1 45 ILE 45 45 45 ILE ILE A . n +A 1 46 GLY 46 46 46 GLY GLY A . n +A 1 47 LEU 47 47 47 LEU LEU A . n +A 1 48 ALA 48 48 48 ALA ALA A . n +A 1 49 ALA 49 49 49 ALA ALA A . n +A 1 50 THR 50 50 50 THR THR A . n +A 1 51 GLN 51 51 51 GLN GLN A . n +A 1 52 VAL 52 52 52 VAL VAL A . n +A 1 53 ASN 53 53 53 ASN ASN A . n +A 1 54 VAL 54 54 54 VAL VAL A . n +A 1 55 HIS 55 55 55 HIS HIS A . n +A 1 56 LYS 56 56 56 LYS LYS A . n +A 1 57 ARG 57 57 57 ARG ARG A . n +A 1 58 ILE 58 58 58 ILE ILE A . n +A 1 59 VAL 59 59 59 VAL VAL A . n +A 1 60 VAL 60 60 60 VAL VAL A . n +A 1 61 MET 61 61 61 MET MET A . n +A 1 62 ASP 62 62 62 ASP ASP A . n +A 1 63 LEU 63 63 63 LEU LEU A . n +A 1 64 SER 64 64 64 SER SER A . n +A 1 65 GLU 65 65 65 GLU GLU A . n +A 1 66 ASP 66 66 66 ASP ASP A . n +A 1 67 LYS 67 67 67 LYS LYS A . n +A 1 68 SER 68 68 68 SER SER A . n +A 1 69 GLU 69 69 69 GLU GLU A . n +A 1 70 PRO 70 70 70 PRO PRO A . n +A 1 71 ARG 71 71 71 ARG ARG A . n +A 1 72 VAL 72 72 72 VAL VAL A . n +A 1 73 PHE 73 73 73 PHE PHE A . n +A 1 74 ILE 74 74 74 ILE ILE A . n +A 1 75 ASN 75 75 75 ASN ASN A . n +A 1 76 PRO 76 76 76 PRO PRO A . n +A 1 77 GLU 77 77 77 GLU GLU A . n +A 1 78 PHE 78 78 78 PHE PHE A . n +A 1 79 GLU 79 79 79 GLU GLU A . n +A 1 80 PRO 80 80 80 PRO PRO A . n +A 1 81 LEU 81 81 81 LEU LEU A . n +A 1 82 THR 82 82 82 THR THR A . n +A 1 83 GLU 83 83 83 GLU GLU A . n +A 1 84 ASP 84 84 84 ASP ASP A . n +A 1 85 MET 85 85 85 MET MET A . n +A 1 86 ASP 86 86 86 ASP ASP A . n +A 1 87 GLN 87 87 87 GLN GLN A . n +A 1 88 TYR 88 88 88 TYR TYR A . n +A 1 89 GLN 89 89 89 GLN GLN A . n +A 1 90 GLU 90 90 90 GLU GLU A . n +A 1 91 GLY 91 91 91 GLY GLY A . n +A 1 92 CYS 92 92 92 CYS CYS A . n +A 1 93 LEU 93 93 93 LEU LEU A . n +A 1 94 SER 94 94 94 SER SER A . n +A 1 95 VAL 95 95 95 VAL VAL A . n +A 1 96 PRO 96 96 96 PRO PRO A . n +A 1 97 GLY 97 97 97 GLY GLY A . n +A 1 98 PHE 98 98 98 PHE PHE A . n +A 1 99 TYR 99 99 99 TYR TYR A . n +A 1 100 GLU 100 100 100 GLU GLU A . n +A 1 101 ASN 101 101 101 ASN ASN A . n +A 1 102 VAL 102 102 102 VAL VAL A . n +A 1 103 ASP 103 103 103 ASP ASP A . n +A 1 104 ARG 104 104 104 ARG ARG A . n +A 1 105 PRO 105 105 105 PRO PRO A . n +A 1 106 GLN 106 106 106 GLN GLN A . n +A 1 107 LYS 107 107 107 LYS LYS A . n +A 1 108 VAL 108 108 108 VAL VAL A . n +A 1 109 ARG 109 109 109 ARG ARG A . n +A 1 110 ILE 110 110 110 ILE ILE A . n +A 1 111 LYS 111 111 111 LYS LYS A . n +A 1 112 ALA 112 112 112 ALA ALA A . n +A 1 113 LEU 113 113 113 LEU LEU A . n +A 1 114 ASP 114 114 114 ASP ASP A . n +A 1 115 ARG 115 115 115 ARG ARG A . n +A 1 116 ASP 116 116 116 ASP ASP A . n +A 1 117 GLY 117 117 117 GLY GLY A . n +A 1 118 ASN 118 118 118 ASN ASN A . n +A 1 119 PRO 119 119 119 PRO PRO A . n +A 1 120 PHE 120 120 120 PHE PHE A . n +A 1 121 GLU 121 121 121 GLU GLU A . n +A 1 122 GLU 122 122 122 GLU GLU A . n +A 1 123 VAL 123 123 123 VAL VAL A . n +A 1 124 ALA 124 124 124 ALA ALA A . n +A 1 125 GLU 125 125 125 GLU GLU A . n +A 1 126 GLY 126 126 126 GLY GLY A . n +A 1 127 LEU 127 127 127 LEU LEU A . n +A 1 128 LEU 128 128 128 LEU LEU A . n +A 1 129 ALA 129 129 129 ALA ALA A . n +A 1 130 VAL 130 130 130 VAL VAL A . n +A 1 131 CYS 131 131 131 CYS CYS A . n +A 1 132 ILE 132 132 132 ILE ILE A . n +A 1 133 GLN 133 133 133 GLN GLN A . n +A 1 134 HIS 134 134 134 HIS HIS A . n +A 1 135 GLU 135 135 135 GLU GLU A . n +A 1 136 CYS 136 136 136 CYS CYS A . n +A 1 137 ASP 137 137 137 ASP ASP A . n +A 1 138 HIS 138 138 138 HIS HIS A . n +A 1 139 LEU 139 139 139 LEU LEU A . n +A 1 140 ASN 140 140 140 ASN ASN A . n +A 1 141 GLY 141 141 141 GLY GLY A . n +A 1 142 LYS 142 142 142 LYS LYS A . n +A 1 143 LEU 143 143 143 LEU LEU A . n +A 1 144 PHE 144 144 144 PHE PHE A . n +A 1 145 VAL 145 145 145 VAL VAL A . n +A 1 146 ASP 146 146 146 ASP ASP A . n +A 1 147 TYR 147 147 147 TYR TYR A . n +A 1 148 LEU 148 148 148 LEU LEU A . n +A 1 149 SER 149 149 149 SER SER A . n +A 1 150 THR 150 150 150 THR THR A . n +A 1 151 LEU 151 151 151 LEU LEU A . n +A 1 152 LYS 152 152 152 LYS LYS A . n +A 1 153 ARG 153 153 153 ARG ARG A . n +A 1 154 ASP 154 154 154 ASP ASP A . n +A 1 155 ARG 155 155 155 ARG ARG A . n +A 1 156 ILE 156 156 156 ILE ILE A . n +A 1 157 ARG 157 157 157 ARG ARG A . n +A 1 158 LYS 158 158 158 LYS LYS A . n +A 1 159 LYS 159 159 159 LYS LYS A . n +A 1 160 LEU 160 160 160 LEU LEU A . n +A 1 161 GLU 161 161 161 GLU GLU A . n +A 1 162 LYS 162 162 162 LYS LYS A . n +A 1 163 GLN 163 163 163 GLN GLN A . n +A 1 164 HIS 164 164 164 HIS HIS A . n +A 1 165 ARG 165 165 165 ARG ARG A . n +A 1 166 GLN 166 166 166 GLN GLN A . n +A 1 167 GLN 167 167 167 GLN GLN A . n +A 1 168 ALA 168 168 168 ALA ALA A . n +B 2 1 ASP 1 1 1 ASP ASP B . n +B 2 2 TYR 2 2 2 TYR TYR B . n +B 2 3 ILE 3 3 3 ILE ILE B . n +B 2 4 ARG 4 4 4 ARG ARG B . n +B 2 5 GLU 5 5 5 GLU GLU B . n +B 2 6 LEU 6 6 6 LEU LEU B . n +B 2 7 ARG 7 7 7 ARG ARG B . n +B 2 8 ALA 8 8 8 ALA ALA B . n +B 2 9 ALA 9 9 9 ALA ALA B . n +B 2 10 LEU 10 10 10 LEU LEU B . n +B 2 11 ILE 11 11 11 ILE ILE B . n +B 2 12 LEU 12 12 12 LEU LEU B . n +B 2 13 LEU 13 13 13 LEU LEU B . n +B 2 14 ALA 14 14 14 ALA ALA B . n +B 2 15 LEU 15 15 15 LEU LEU B . n +B 2 16 LYS 16 16 16 LYS LYS B . n +B 2 17 LYS 17 17 17 LYS LYS B . n +B 2 18 GLN 18 18 18 GLN GLN B . n +B 2 19 HIS 19 19 19 HIS HIS B . n +B 2 20 ALA 20 20 20 ALA ALA B . n +B 2 21 GLU 21 21 21 GLU GLU B . n +B 2 22 ASP 22 22 22 ASP ASP B . n +B 2 23 PRO 23 23 23 PRO PRO B . n +B 2 24 ASP 24 24 24 ASP ASP B . n +B 2 25 ALA 25 25 25 ALA ALA B . n +B 2 26 GLN 26 26 26 GLN GLN B . n +B 2 27 ARG 27 27 27 ARG ARG B . n +B 2 28 VAL 28 28 28 VAL VAL B . n +B 2 29 ALA 29 29 29 ALA ALA B . n +B 2 30 ASP 30 30 30 ASP ASP B . n +B 2 31 GLU 31 31 31 GLU GLU B . n +B 2 32 LEU 32 32 32 LEU LEU B . n +B 2 33 MET 33 33 33 MET MET B . n +B 2 34 LYS 34 34 34 LYS LYS B . n +B 2 35 LYS 35 35 35 LYS LYS B . n +B 2 36 LEU 36 36 36 LEU LEU B . n +B 2 37 PHE 37 37 37 PHE PHE B . n +B 2 38 ASP 38 38 38 ASP ASP B . n +B 2 39 ALA 39 39 39 ALA ALA B . n +B 2 40 ALA 40 40 40 ALA ALA B . n +B 2 41 HIS 41 41 41 HIS HIS B . n +B 2 42 ARG 42 42 42 ARG ARG B . n +B 2 43 ASN 43 43 43 ASN ASN B . n +B 2 44 ASP 44 44 44 ASP ASP B . n +B 2 45 LYS 45 45 45 LYS LYS B . n +B 2 46 ASP 46 46 46 ASP ASP B . n +B 2 47 LYS 47 47 47 LYS LYS B . n +B 2 48 VAL 48 48 48 VAL VAL B . n +B 2 49 LYS 49 49 49 LYS LYS B . n +B 2 50 LYS 50 50 50 LYS LYS B . n +B 2 51 VAL 51 51 51 VAL VAL B . n +B 2 52 VAL 52 52 52 VAL VAL B . n +B 2 53 GLU 53 53 53 GLU GLU B . n +B 2 54 GLU 54 54 54 GLU GLU B . n +B 2 55 ALA 55 55 55 ALA ALA B . n +B 2 56 LYS 56 56 56 LYS LYS B . n +B 2 57 LYS 57 57 57 LYS LYS B . n +B 2 58 VAL 58 58 58 VAL VAL B . n +B 2 59 VAL 59 59 59 VAL VAL B . n +B 2 60 SER 60 60 60 SER SER B . n +B 2 61 THR 61 61 61 THR THR B . n +B 2 62 TYR 62 62 ? ? ? B . n +B 2 63 GLY 63 63 ? ? ? B . n +B 2 64 SER 64 64 ? ? ? B . n +B 2 65 HIS 65 65 ? ? ? B . n +B 2 66 HIS 66 66 ? ? ? B . n +B 2 67 HIS 67 67 ? ? ? B . n +B 2 68 HIS 68 68 ? ? ? B . n +B 2 69 HIS 69 69 ? ? ? B . n +B 2 70 HIS 70 70 ? ? ? B . n +# +_pdbx_entity_instance_feature.ordinal 1 +_pdbx_entity_instance_feature.comp_id BB2 +_pdbx_entity_instance_feature.asym_id ? +_pdbx_entity_instance_feature.seq_num ? +_pdbx_entity_instance_feature.auth_comp_id BB2 +_pdbx_entity_instance_feature.auth_asym_id ? +_pdbx_entity_instance_feature.auth_seq_num ? +_pdbx_entity_instance_feature.feature_type 'SUBJECT OF INVESTIGATION' +_pdbx_entity_instance_feature.details ? +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 3 ZN 1 201 197 ZN ZN A . +D 4 BB2 1 202 199 BB2 BB2 A . +E 5 FMT 1 203 200 FMT FMT A . +F 5 FMT 1 204 201 FMT FMT A . +G 5 FMT 1 205 202 FMT FMT A . +H 5 FMT 1 206 203 FMT FMT A . +I 5 FMT 1 207 204 FMT FMT A . +J 5 FMT 1 208 205 FMT FMT A . +K 5 FMT 1 209 206 FMT FMT A . +L 5 FMT 1 210 101 FMT FMT A . +M 6 PO4 1 211 1 PO4 PO4 A . +N 6 PO4 1 212 2 PO4 PO4 A . +O 6 PO4 1 213 3 PO4 PO4 A . +P 6 PO4 1 214 4 PO4 PO4 A . +Q 7 K 1 101 1 K K B . +R 8 HOH 1 301 76 HOH HOH A . +R 8 HOH 2 302 49 HOH HOH A . +R 8 HOH 3 303 23 HOH HOH A . +R 8 HOH 4 304 70 HOH HOH A . +R 8 HOH 5 305 6 HOH HOH A . +R 8 HOH 6 306 71 HOH HOH A . +R 8 HOH 7 307 7 HOH HOH A . +R 8 HOH 8 308 75 HOH HOH A . +R 8 HOH 9 309 39 HOH HOH A . +R 8 HOH 10 310 66 HOH HOH A . +R 8 HOH 11 311 37 HOH HOH A . +R 8 HOH 12 312 25 HOH HOH A . +R 8 HOH 13 313 41 HOH HOH A . +R 8 HOH 14 314 65 HOH HOH A . +R 8 HOH 15 315 53 HOH HOH A . +R 8 HOH 16 316 1 HOH HOH A . +R 8 HOH 17 317 24 HOH HOH A . +R 8 HOH 18 318 5 HOH HOH A . +R 8 HOH 19 319 63 HOH HOH A . +R 8 HOH 20 320 11 HOH HOH A . +R 8 HOH 21 321 47 HOH HOH A . +R 8 HOH 22 322 46 HOH HOH A . +R 8 HOH 23 323 19 HOH HOH A . +R 8 HOH 24 324 60 HOH HOH A . +R 8 HOH 25 325 40 HOH HOH A . +R 8 HOH 26 326 3 HOH HOH A . +R 8 HOH 27 327 64 HOH HOH A . +R 8 HOH 28 328 22 HOH HOH A . +R 8 HOH 29 329 2 HOH HOH A . +R 8 HOH 30 330 30 HOH HOH A . +R 8 HOH 31 331 20 HOH HOH A . +R 8 HOH 32 332 61 HOH HOH A . +R 8 HOH 33 333 9 HOH HOH A . +R 8 HOH 34 334 59 HOH HOH A . +R 8 HOH 35 335 15 HOH HOH A . +R 8 HOH 36 336 33 HOH HOH A . +R 8 HOH 37 337 43 HOH HOH A . +R 8 HOH 38 338 55 HOH HOH A . +R 8 HOH 39 339 42 HOH HOH A . +R 8 HOH 40 340 69 HOH HOH A . +R 8 HOH 41 341 12 HOH HOH A . +R 8 HOH 42 342 44 HOH HOH A . +R 8 HOH 43 343 32 HOH HOH A . +R 8 HOH 44 344 38 HOH HOH A . +R 8 HOH 45 345 57 HOH HOH A . +R 8 HOH 46 346 18 HOH HOH A . +R 8 HOH 47 347 4 HOH HOH A . +R 8 HOH 48 348 73 HOH HOH A . +R 8 HOH 49 349 17 HOH HOH A . +R 8 HOH 50 350 13 HOH HOH A . +R 8 HOH 51 351 8 HOH HOH A . +R 8 HOH 52 352 21 HOH HOH A . +R 8 HOH 53 353 27 HOH HOH A . +R 8 HOH 54 354 28 HOH HOH A . +R 8 HOH 55 355 34 HOH HOH A . +R 8 HOH 56 356 58 HOH HOH A . +R 8 HOH 57 357 56 HOH HOH A . +R 8 HOH 58 358 74 HOH HOH A . +R 8 HOH 59 359 10 HOH HOH A . +R 8 HOH 60 360 36 HOH HOH A . +R 8 HOH 61 361 14 HOH HOH A . +R 8 HOH 62 362 67 HOH HOH A . +R 8 HOH 63 363 16 HOH HOH A . +R 8 HOH 64 364 54 HOH HOH A . +R 8 HOH 65 365 45 HOH HOH A . +R 8 HOH 66 366 48 HOH HOH A . +R 8 HOH 67 367 62 HOH HOH A . +R 8 HOH 68 368 35 HOH HOH A . +S 8 HOH 1 201 52 HOH HOH B . +S 8 HOH 2 202 51 HOH HOH B . +S 8 HOH 3 203 31 HOH HOH B . +S 8 HOH 4 204 72 HOH HOH B . +S 8 HOH 5 205 29 HOH HOH B . +S 8 HOH 6 206 26 HOH HOH B . +S 8 HOH 7 207 68 HOH HOH B . +S 8 HOH 8 208 50 HOH HOH B . +# +loop_ +_software.citation_id +_software.classification +_software.compiler_name +_software.compiler_version +_software.contact_author +_software.contact_author_email +_software.date +_software.description +_software.dependencies +_software.hardware +_software.language +_software.location +_software.mods +_software.name +_software.os +_software.os_version +_software.type +_software.version +_software.pdbx_ordinal +? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.21_5184 1 +? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? . 2 +? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? . 3 +? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 +# +_cell.angle_alpha 90.000 +_cell.angle_alpha_esd ? +_cell.angle_beta 90.000 +_cell.angle_beta_esd ? +_cell.angle_gamma 90.000 +_cell.angle_gamma_esd ? +_cell.entry_id 8S1X +_cell.details ? +_cell.formula_units_Z ? +_cell.length_a 49.440 +_cell.length_a_esd ? +_cell.length_b 75.010 +_cell.length_b_esd ? +_cell.length_c 83.160 +_cell.length_c_esd ? +_cell.volume 308398.394 +_cell.volume_esd ? +_cell.Z_PDB 4 +_cell.reciprocal_angle_alpha ? +_cell.reciprocal_angle_beta ? +_cell.reciprocal_angle_gamma ? +_cell.reciprocal_angle_alpha_esd ? +_cell.reciprocal_angle_beta_esd ? +_cell.reciprocal_angle_gamma_esd ? +_cell.reciprocal_length_a ? +_cell.reciprocal_length_b ? +_cell.reciprocal_length_c ? +_cell.reciprocal_length_a_esd ? +_cell.reciprocal_length_b_esd ? +_cell.reciprocal_length_c_esd ? +_cell.pdbx_unique_axis ? +_cell.pdbx_esd_method ? +# +_symmetry.entry_id 8S1X +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 19 +_symmetry.space_group_name_Hall 'P 2ac 2ab' +_symmetry.space_group_name_H-M 'P 21 21 21' +_symmetry.pdbx_full_space_group_name_H-M ? +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.entry_id 8S1X +_exptl.crystals_number 1 +_exptl.details ? +_exptl.method 'X-RAY DIFFRACTION' +_exptl.method_details ? +# +_exptl_crystal.colour ? +_exptl_crystal.density_diffrn ? +_exptl_crystal.density_Matthews 2.80 +_exptl_crystal.density_method ? +_exptl_crystal.density_percent_sol 56.06 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.id 1 +_exptl_crystal.preparation ? +_exptl_crystal.size_max ? +_exptl_crystal.size_mid ? +_exptl_crystal.size_min ? +_exptl_crystal.size_rad ? +_exptl_crystal.colour_lustre ? +_exptl_crystal.colour_modifier ? +_exptl_crystal.colour_primary ? +_exptl_crystal.density_meas ? +_exptl_crystal.density_meas_esd ? +_exptl_crystal.density_meas_gt ? +_exptl_crystal.density_meas_lt ? +_exptl_crystal.density_meas_temp ? +_exptl_crystal.density_meas_temp_esd ? +_exptl_crystal.density_meas_temp_gt ? +_exptl_crystal.density_meas_temp_lt ? +_exptl_crystal.pdbx_crystal_image_url ? +_exptl_crystal.pdbx_crystal_image_format ? +_exptl_crystal.pdbx_mosaicity ? +_exptl_crystal.pdbx_mosaicity_esd ? +_exptl_crystal.pdbx_mosaic_method ? +_exptl_crystal.pdbx_mosaic_block_size ? +_exptl_crystal.pdbx_mosaic_block_size_esd ? +# +_exptl_crystal_grow.apparatus ? +_exptl_crystal_grow.atmosphere ? +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details ? +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.method_ref ? +_exptl_crystal_grow.pH 6.2 +_exptl_crystal_grow.pressure ? +_exptl_crystal_grow.pressure_esd ? +_exptl_crystal_grow.seeding ? +_exptl_crystal_grow.seeding_ref ? +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.temp_esd ? +_exptl_crystal_grow.time ? +_exptl_crystal_grow.pdbx_details '0.2 M Sodium Formate, 0.1 M Sodium Phosphate pH 6.2, 20% (v/v) PEG smear, 10% (v/v) glycerol' +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.temp 291.15 +# +_diffrn.ambient_environment ? +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.ambient_temp_esd ? +_diffrn.crystal_id 1 +_diffrn.crystal_support ? +_diffrn.crystal_treatment ? +_diffrn.details ? +_diffrn.id 1 +_diffrn.ambient_pressure ? +_diffrn.ambient_pressure_esd ? +_diffrn.ambient_pressure_gt ? +_diffrn.ambient_pressure_lt ? +_diffrn.ambient_temp_gt ? +_diffrn.ambient_temp_lt ? +_diffrn.pdbx_serial_crystal_experiment N +# +_diffrn_detector.details ? +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS PILATUS3 2M' +_diffrn_detector.area_resol_mean ? +_diffrn_detector.dtime ? +_diffrn_detector.pdbx_frames_total ? +_diffrn_detector.pdbx_collection_time_total ? +_diffrn_detector.pdbx_collection_date 2024-02-11 +_diffrn_detector.pdbx_frequency ? +_diffrn_detector.id ? +_diffrn_detector.number_of_axes ? +# +_diffrn_radiation.collimation ? +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge ? +_diffrn_radiation.inhomogeneity ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.polarisn_norm ? +_diffrn_radiation.polarisn_ratio ? +_diffrn_radiation.probe ? +_diffrn_radiation.type ? +_diffrn_radiation.xray_symbol ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list ? +_diffrn_radiation.pdbx_wavelength ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.87313 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.current ? +_diffrn_source.details ? +_diffrn_source.diffrn_id 1 +_diffrn_source.power ? +_diffrn_source.size ? +_diffrn_source.source SYNCHROTRON +_diffrn_source.target ? +_diffrn_source.type 'ESRF BEAMLINE MASSIF-1' +_diffrn_source.voltage ? +_diffrn_source.take-off_angle ? +_diffrn_source.pdbx_wavelength_list 0.87313 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_beamline MASSIF-1 +_diffrn_source.pdbx_synchrotron_site ESRF +# +_reflns.B_iso_Wilson_estimate 44.77 +_reflns.entry_id 8S1X +_reflns.data_reduction_details ? +_reflns.data_reduction_method ? +_reflns.d_resolution_high 1.88 +_reflns.d_resolution_low 55.7 +_reflns.details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.number_all ? +_reflns.number_obs 24990 +_reflns.observed_criterion ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.observed_criterion_I_max ? +_reflns.observed_criterion_I_min ? +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.percent_possible_obs 96.9 +_reflns.R_free_details ? +_reflns.Rmerge_F_all ? +_reflns.Rmerge_F_obs ? +_reflns.Friedel_coverage ? +_reflns.number_gt ? +_reflns.threshold_expression ? +_reflns.pdbx_redundancy 4.3 +_reflns.pdbx_netI_over_av_sigmaI ? +_reflns.pdbx_netI_over_sigmaI 15.0 +_reflns.pdbx_res_netI_over_av_sigmaI_2 ? +_reflns.pdbx_res_netI_over_sigmaI_2 ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_d_res_high_opt ? +_reflns.pdbx_d_res_low_opt ? +_reflns.pdbx_d_res_opt_method ? +_reflns.phase_calculation_details ? +_reflns.pdbx_Rrim_I_all ? +_reflns.pdbx_Rpim_I_all ? +_reflns.pdbx_d_opt ? +_reflns.pdbx_number_measured_all ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.999 +_reflns.pdbx_CC_star ? +_reflns.pdbx_R_split ? +_reflns.pdbx_Rmerge_I_obs 0.044 +_reflns.pdbx_Rmerge_I_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_CC_split_method ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_1 ? +_reflns.pdbx_aniso_diffraction_limit_2 ? +_reflns.pdbx_aniso_diffraction_limit_3 ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_1 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_2 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_3 ? +_reflns.pdbx_orthogonalization_convention ? +_reflns.pdbx_percent_possible_ellipsoidal ? +_reflns.pdbx_percent_possible_spherical ? +_reflns.pdbx_percent_possible_ellipsoidal_anomalous ? +_reflns.pdbx_percent_possible_spherical_anomalous ? +_reflns.pdbx_redundancy_anomalous ? +_reflns.pdbx_CC_half_anomalous ? +_reflns.pdbx_absDiff_over_sigma_anomalous ? +_reflns.pdbx_percent_possible_anomalous ? +_reflns.pdbx_observed_signal_threshold ? +_reflns.pdbx_signal_type ? +_reflns.pdbx_signal_details ? +_reflns.pdbx_signal_software_id ? +# +_reflns_shell.d_res_high 1.88 +_reflns_shell.d_res_low 1.91 +_reflns_shell.meanI_over_sigI_all ? +_reflns_shell.meanI_over_sigI_obs 1.3 +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_possible ? +_reflns_shell.number_unique_all ? +_reflns_shell.number_unique_obs 1266 +_reflns_shell.percent_possible_obs ? +_reflns_shell.Rmerge_F_all ? +_reflns_shell.Rmerge_F_obs ? +_reflns_shell.meanI_over_sigI_gt ? +_reflns_shell.meanI_over_uI_all ? +_reflns_shell.meanI_over_uI_gt ? +_reflns_shell.number_measured_gt ? +_reflns_shell.number_unique_gt ? +_reflns_shell.percent_possible_gt ? +_reflns_shell.Rmerge_F_gt ? +_reflns_shell.Rmerge_I_gt ? +_reflns_shell.pdbx_redundancy 4.4 +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_netI_over_sigmaI_all ? +_reflns_shell.pdbx_netI_over_sigmaI_obs ? +_reflns_shell.pdbx_Rrim_I_all ? +_reflns_shell.pdbx_Rpim_I_all ? +_reflns_shell.pdbx_rejects ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_CC_half 0.426 +_reflns_shell.pdbx_CC_star ? +_reflns_shell.pdbx_R_split ? +_reflns_shell.percent_possible_all 99.6 +_reflns_shell.Rmerge_I_all ? +_reflns_shell.Rmerge_I_obs 1.125 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.pdbx_percent_possible_ellipsoidal ? +_reflns_shell.pdbx_percent_possible_spherical ? +_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous ? +_reflns_shell.pdbx_percent_possible_spherical_anomalous ? +_reflns_shell.pdbx_redundancy_anomalous ? +_reflns_shell.pdbx_CC_half_anomalous ? +_reflns_shell.pdbx_absDiff_over_sigma_anomalous ? +_reflns_shell.pdbx_percent_possible_anomalous ? +# +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.B_iso_max ? +_refine.B_iso_mean 57.21 +_refine.B_iso_min ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.details ? +_refine.diff_density_max ? +_refine.diff_density_max_esd ? +_refine.diff_density_min ? +_refine.diff_density_min_esd ? +_refine.diff_density_rms ? +_refine.diff_density_rms_esd ? +_refine.entry_id 8S1X +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details ? +_refine.ls_abs_structure_Flack ? +_refine.ls_abs_structure_Flack_esd ? +_refine.ls_abs_structure_Rogers ? +_refine.ls_abs_structure_Rogers_esd ? +_refine.ls_d_res_high 1.88 +_refine.ls_d_res_low 55.70 +_refine.ls_extinction_coef ? +_refine.ls_extinction_coef_esd ? +_refine.ls_extinction_expression ? +_refine.ls_extinction_method ? +_refine.ls_goodness_of_fit_all ? +_refine.ls_goodness_of_fit_all_esd ? +_refine.ls_goodness_of_fit_obs ? +_refine.ls_goodness_of_fit_obs_esd ? +_refine.ls_hydrogen_treatment ? +_refine.ls_matrix_type ? +_refine.ls_number_constraints ? +_refine.ls_number_parameters ? +_refine.ls_number_reflns_all ? +_refine.ls_number_reflns_obs 24982 +_refine.ls_number_reflns_R_free 1255 +_refine.ls_number_reflns_R_work 23727 +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_obs 96.83 +_refine.ls_percent_reflns_R_free 5.02 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs 0.1846 +_refine.ls_R_factor_R_free 0.2027 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_R_factor_R_work 0.1837 +_refine.ls_R_Fsqd_factor_obs ? +_refine.ls_R_I_factor_obs ? +_refine.ls_redundancy_reflns_all ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_restrained_S_all ? +_refine.ls_restrained_S_obs ? +_refine.ls_shift_over_esd_max ? +_refine.ls_shift_over_esd_mean ? +_refine.ls_structure_factor_coef ? +_refine.ls_weighting_details ? +_refine.ls_weighting_scheme ? +_refine.ls_wR_factor_all ? +_refine.ls_wR_factor_obs ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.pdbx_R_complete ? +_refine.ls_R_factor_gt ? +_refine.ls_goodness_of_fit_gt ? +_refine.ls_goodness_of_fit_ref ? +_refine.ls_shift_over_su_max ? +_refine.ls_shift_over_su_max_lt ? +_refine.ls_shift_over_su_mean ? +_refine.ls_shift_over_su_mean_lt ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 1.34 +_refine.pdbx_ls_sigma_Fsqd ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model ? +_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2' +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_solvent_vdw_probe_radii 1.1000 +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii 0.9000 +_refine.pdbx_real_space_R ? +_refine.pdbx_density_correlation ? +_refine.pdbx_pd_number_of_powder_patterns ? +_refine.pdbx_pd_number_of_points ? +_refine.pdbx_pd_meas_number_of_points ? +_refine.pdbx_pd_proc_ls_prof_R_factor ? +_refine.pdbx_pd_proc_ls_prof_wR_factor ? +_refine.pdbx_pd_Marquardt_correlation_coeff ? +_refine.pdbx_pd_Fsqrd_R_factor ? +_refine.pdbx_pd_ls_matrix_band_width ? +_refine.pdbx_overall_phase_error 21.4881 +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B ? +_refine.overall_SU_ML 0.2366 +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_average_fsc_overall ? +_refine.pdbx_average_fsc_work ? +_refine.pdbx_average_fsc_free ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.details ? +_refine_hist.d_res_high 1.88 +_refine_hist.d_res_low 55.70 +_refine_hist.number_atoms_solvent 76 +_refine_hist.number_atoms_total 1991 +_refine_hist.number_reflns_all ? +_refine_hist.number_reflns_obs ? +_refine_hist.number_reflns_R_free ? +_refine_hist.number_reflns_R_work ? +_refine_hist.R_factor_all ? +_refine_hist.R_factor_obs ? +_refine_hist.R_factor_R_free ? +_refine_hist.R_factor_R_work ? +_refine_hist.pdbx_number_residues_total ? +_refine_hist.pdbx_B_iso_mean_ligand ? +_refine_hist.pdbx_B_iso_mean_solvent ? +_refine_hist.pdbx_number_atoms_protein 1842 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 73 +_refine_hist.pdbx_number_atoms_lipid ? +_refine_hist.pdbx_number_atoms_carb ? +_refine_hist.pdbx_pseudo_atom_details ? +# +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.criterion +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.rejects +_refine_ls_restr.type +_refine_ls_restr.weight +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' ? 0.0064 ? 1939 ? f_bond_d ? ? +'X-RAY DIFFRACTION' ? 0.7791 ? 2604 ? f_angle_d ? ? +'X-RAY DIFFRACTION' ? 0.0509 ? 289 ? f_chiral_restr ? ? +'X-RAY DIFFRACTION' ? 0.0093 ? 339 ? f_plane_restr ? ? +'X-RAY DIFFRACTION' ? 15.6309 ? 777 ? f_dihedral_angle_d ? ? +# +loop_ +_refine_ls_shell.pdbx_refine_id +_refine_ls_shell.d_res_high +_refine_ls_shell.d_res_low +_refine_ls_shell.number_reflns_all +_refine_ls_shell.number_reflns_obs +_refine_ls_shell.number_reflns_R_free +_refine_ls_shell.number_reflns_R_work +_refine_ls_shell.percent_reflns_obs +_refine_ls_shell.percent_reflns_R_free +_refine_ls_shell.R_factor_all +_refine_ls_shell.R_factor_obs +_refine_ls_shell.R_factor_R_free_error +_refine_ls_shell.R_factor_R_work +_refine_ls_shell.redundancy_reflns_all +_refine_ls_shell.redundancy_reflns_obs +_refine_ls_shell.wR_factor_all +_refine_ls_shell.wR_factor_obs +_refine_ls_shell.wR_factor_R_free +_refine_ls_shell.wR_factor_R_work +_refine_ls_shell.pdbx_R_complete +_refine_ls_shell.pdbx_total_number_of_bins_used +_refine_ls_shell.pdbx_phase_error +_refine_ls_shell.pdbx_fsc_work +_refine_ls_shell.pdbx_fsc_free +_refine_ls_shell.R_factor_R_free +'X-RAY DIFFRACTION' 1.88 1.96 . . 149 2652 99.26 . . . . 0.3037 . . . . . . . . . . . 0.3416 +'X-RAY DIFFRACTION' 1.96 2.05 . . 133 2642 98.44 . . . . 0.2772 . . . . . . . . . . . 0.2812 +'X-RAY DIFFRACTION' 2.05 2.15 . . 145 2647 98.52 . . . . 0.2319 . . . . . . . . . . . 0.2773 +'X-RAY DIFFRACTION' 2.15 2.29 . . 147 2598 97.90 . . . . 0.1979 . . . . . . . . . . . 0.2435 +'X-RAY DIFFRACTION' 2.29 2.46 . . 146 2638 98.10 . . . . 0.1906 . . . . . . . . . . . 0.1866 +'X-RAY DIFFRACTION' 2.46 2.71 . . 134 2646 97.17 . . . . 0.1961 . . . . . . . . . . . 0.2393 +'X-RAY DIFFRACTION' 2.71 3.11 . . 139 2626 95.84 . . . . 0.1896 . . . . . . . . . . . 0.2045 +'X-RAY DIFFRACTION' 3.11 3.91 . . 151 2557 93.70 . . . . 0.1723 . . . . . . . . . . . 0.1775 +'X-RAY DIFFRACTION' 3.91 55.70 . . 111 2721 92.97 . . . . 0.1675 . . . . . . . . . . . 0.1874 +# +_struct.entry_id 8S1X +_struct.title +'Crystal structure of Actinonin-bound PDF1 and the computationally designed DBAct553_1 protein binder' +_struct.pdbx_model_details ? +_struct.pdbx_formula_weight ? +_struct.pdbx_formula_weight_method ? +_struct.pdbx_model_type_details ? +_struct.pdbx_CASP_flag N +# +_struct_keywords.entry_id 8S1X +_struct_keywords.text 'Actinonin, de novo, computational, binder, CID, switch, deformylase, DE NOVO PROTEIN' +_struct_keywords.pdbx_keywords 'DE NOVO PROTEIN' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 4 ? +E N N 5 ? +F N N 5 ? +G N N 5 ? +H N N 5 ? +I N N 5 ? +J N N 5 ? +K N N 5 ? +L N N 5 ? +M N N 6 ? +N N N 6 ? +O N N 6 ? +P N N 6 ? +Q N N 7 ? +R N N 8 ? +S N N 8 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +1 UNP DEF_PSEAE Q9I7A8 ? 1 +;MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSEDKSEPRVFINPEFEP +LTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKL +EKQHRQQA +; +1 +2 PDB 8S1X 8S1X ? 2 ? 1 +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 8S1X A 1 ? 168 ? Q9I7A8 1 ? 168 ? 1 168 +2 2 8S1X B 1 ? 70 ? 8S1X 1 ? 70 ? 1 70 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 4730 ? +1 MORE -67 ? +1 'SSA (A^2)' 11590 ? +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support 'gel filtration' +_pdbx_struct_assembly_auth_evidence.details ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 AA1 ASP A 11 ? THR A 16 ? ASP A 11 THR A 16 5 ? 6 +HELX_P HELX_P2 AA2 ASP A 25 ? ALA A 42 ? ASP A 25 ALA A 42 1 ? 18 +HELX_P HELX_P3 AA3 THR A 50 ? ASN A 53 ? THR A 50 ASN A 53 5 ? 4 +HELX_P HELX_P4 AA4 GLY A 126 ? ASN A 140 ? GLY A 126 ASN A 140 1 ? 15 +HELX_P HELX_P5 AA5 LEU A 143 ? LEU A 148 ? LEU A 143 LEU A 148 5 ? 6 +HELX_P HELX_P6 AA6 SER A 149 ? ALA A 168 ? SER A 149 ALA A 168 1 ? 20 +HELX_P HELX_P7 AA7 TYR B 2 ? ALA B 20 ? TYR B 2 ALA B 20 1 ? 19 +HELX_P HELX_P8 AA8 ASP B 22 ? ARG B 42 ? ASP B 22 ARG B 42 1 ? 21 +HELX_P HELX_P9 AA9 ASP B 44 ? SER B 60 ? ASP B 44 SER B 60 1 ? 17 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +metalc1 metalc ? ? A CYS 92 SG ? ? ? 1_555 C ZN . ZN ? ? A CYS 92 A ZN 201 1_555 ? ? ? ? ? ? ? 2.274 ? ? +metalc2 metalc ? ? A TYR 99 O ? ? ? 1_555 Q K . K ? ? A TYR 99 B K 101 1_555 ? ? ? ? ? ? ? 3.275 ? ? +metalc3 metalc ? ? A HIS 134 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 134 A ZN 201 1_555 ? ? ? ? ? ? ? 2.172 ? ? +metalc4 metalc ? ? A HIS 138 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 138 A ZN 201 1_555 ? ? ? ? ? ? ? 2.215 ? ? +metalc5 metalc ? ? C ZN . ZN ? ? ? 1_555 D BB2 . O2 ? ? A ZN 201 A BB2 202 1_555 ? ? ? ? ? ? ? 2.200 ? ? +metalc6 metalc ? ? C ZN . ZN ? ? ? 1_555 D BB2 . O4 ? ? A ZN 201 A BB2 202 1_555 ? ? ? ? ? ? ? 2.200 ? ? +metalc7 metalc ? ? R HOH . O ? ? ? 1_555 Q K . K ? ? A HOH 314 B K 101 1_555 ? ? ? ? ? ? ? 3.085 ? ? +# +_struct_conn_type.id metalc +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 SG ? A CYS 92 ? A CYS 92 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 NE2 ? A HIS 134 ? A HIS 134 ? 1_555 104.4 ? +2 SG ? A CYS 92 ? A CYS 92 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 NE2 ? A HIS 138 ? A HIS 138 ? 1_555 91.6 ? +3 NE2 ? A HIS 134 ? A HIS 134 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 NE2 ? A HIS 138 ? A HIS 138 ? 1_555 98.9 ? +4 SG ? A CYS 92 ? A CYS 92 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 O2 ? D BB2 . ? A BB2 202 ? 1_555 158.8 ? +5 NE2 ? A HIS 134 ? A HIS 134 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 O2 ? D BB2 . ? A BB2 202 ? 1_555 95.8 ? +6 NE2 ? A HIS 138 ? A HIS 138 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 O2 ? D BB2 . ? A BB2 202 ? 1_555 91.5 ? +7 SG ? A CYS 92 ? A CYS 92 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 O4 ? D BB2 . ? A BB2 202 ? 1_555 91.2 ? +8 NE2 ? A HIS 134 ? A HIS 134 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 O4 ? D BB2 . ? A BB2 202 ? 1_555 111.8 ? +9 NE2 ? A HIS 138 ? A HIS 138 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 O4 ? D BB2 . ? A BB2 202 ? 1_555 147.4 ? +10 O2 ? D BB2 . ? A BB2 202 ? 1_555 ZN ? C ZN . ? A ZN 201 ? 1_555 O4 ? D BB2 . ? A BB2 202 ? 1_555 75.2 ? +11 O ? A TYR 99 ? A TYR 99 ? 1_555 K ? Q K . ? B K 101 ? 1_555 O ? R HOH . ? A HOH 314 ? 1_555 67.8 ? +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 PHE 9 A . ? PHE 9 A PRO 10 A ? PRO 10 A 1 5.34 +2 ALA 42 A . ? ALA 42 A PRO 43 A ? PRO 43 A 1 -7.64 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +AA1 ? 5 ? +AA2 ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +AA1 1 2 ? anti-parallel +AA1 2 3 ? anti-parallel +AA1 3 4 ? anti-parallel +AA1 4 5 ? anti-parallel +AA2 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +AA1 1 GLY A 46 ? ALA A 48 ? GLY A 46 ALA A 48 +AA1 2 ILE A 58 ? ASP A 62 ? ILE A 58 ASP A 62 +AA1 3 PRO A 70 ? PRO A 80 ? PRO A 70 PRO A 80 +AA1 4 LYS A 107 ? LEU A 113 ? LYS A 107 LEU A 113 +AA1 5 PRO A 119 ? GLU A 125 ? PRO A 119 GLU A 125 +AA2 1 ASP A 86 ? GLU A 90 ? ASP A 86 GLU A 90 +AA2 2 GLU A 100 ? ARG A 104 ? GLU A 100 ARG A 104 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +AA1 1 2 N LEU A 47 ? N LEU A 47 O VAL A 60 ? O VAL A 60 +AA1 2 3 N MET A 61 ? N MET A 61 O ARG A 71 ? O ARG A 71 +AA1 3 4 N GLU A 79 ? N GLU A 79 O ARG A 109 ? O ARG A 109 +AA1 4 5 N ILE A 110 ? N ILE A 110 O GLU A 122 ? O GLU A 122 +AA2 1 2 N ASP A 86 ? N ASP A 86 O ARG A 104 ? O ARG A 104 +# +_pdbx_entry_details.entry_id 8S1X +_pdbx_entry_details.has_ligand_of_interest Y +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.has_protein_modification N +# +_pdbx_validate_torsion.id 1 +_pdbx_validate_torsion.PDB_model_num 1 +_pdbx_validate_torsion.auth_comp_id PRO +_pdbx_validate_torsion.auth_asym_id A +_pdbx_validate_torsion.auth_seq_id 10 +_pdbx_validate_torsion.PDB_ins_code ? +_pdbx_validate_torsion.label_alt_id ? +_pdbx_validate_torsion.phi -95.62 +_pdbx_validate_torsion.psi 34.49 +# +loop_ +_space_group_symop.id +_space_group_symop.operation_xyz +1 x,y,z +2 x+1/2,-y+1/2,-z +3 -x,y+1/2,-z+1/2 +4 -x+1/2,-y,z+1/2 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A MET 1 ? A MET 1 +2 1 Y 1 B TYR 62 ? B TYR 62 +3 1 Y 1 B GLY 63 ? B GLY 63 +4 1 Y 1 B SER 64 ? B SER 64 +5 1 Y 1 B HIS 65 ? B HIS 65 +6 1 Y 1 B HIS 66 ? B HIS 66 +7 1 Y 1 B HIS 67 ? B HIS 67 +8 1 Y 1 B HIS 68 ? B HIS 68 +9 1 Y 1 B HIS 69 ? B HIS 69 +10 1 Y 1 B HIS 70 ? B HIS 70 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +BB2 C5 C N N 74 +BB2 C3 C N N 75 +BB2 O4 O N N 76 +BB2 N1 N N N 77 +BB2 O2 O N N 78 +BB2 C6 C N R 79 +BB2 C12 C N N 80 +BB2 O13 O N N 81 +BB2 C7 C N N 82 +BB2 C8 C N N 83 +BB2 C9 C N N 84 +BB2 C10 C N N 85 +BB2 C11 C N N 86 +BB2 N14 N N N 87 +BB2 C15 C N S 88 +BB2 C16 C N N 89 +BB2 C18 C N N 90 +BB2 C17 C N N 91 +BB2 C19 C N N 92 +BB2 O20 O N N 93 +BB2 N21 N N N 94 +BB2 C22 C N S 95 +BB2 C23 C N N 96 +BB2 C24 C N N 97 +BB2 C25 C N N 98 +BB2 C26 C N N 99 +BB2 O27 O N N 100 +BB2 H51 H N N 101 +BB2 H52 H N N 102 +BB2 HN1 H N N 103 +BB2 HO2 H N N 104 +BB2 H6 H N N 105 +BB2 H71 H N N 106 +BB2 H72 H N N 107 +BB2 H81 H N N 108 +BB2 H82 H N N 109 +BB2 H91 H N N 110 +BB2 H92 H N N 111 +BB2 H101 H N N 112 +BB2 H102 H N N 113 +BB2 H111 H N N 114 +BB2 H112 H N N 115 +BB2 H113 H N N 116 +BB2 H14 H N N 117 +BB2 H15 H N N 118 +BB2 H16 H N N 119 +BB2 H181 H N N 120 +BB2 H182 H N N 121 +BB2 H183 H N N 122 +BB2 H171 H N N 123 +BB2 H172 H N N 124 +BB2 H173 H N N 125 +BB2 H22 H N N 126 +BB2 H231 H N N 127 +BB2 H232 H N N 128 +BB2 H241 H N N 129 +BB2 H242 H N N 130 +BB2 H251 H N N 131 +BB2 H252 H N N 132 +BB2 H261 H N N 133 +BB2 H262 H N N 134 +BB2 H27 H N N 135 +CYS N N N N 136 +CYS CA C N R 137 +CYS C C N N 138 +CYS O O N N 139 +CYS CB C N N 140 +CYS SG S N N 141 +CYS OXT O N N 142 +CYS H H N N 143 +CYS H2 H N N 144 +CYS HA H N N 145 +CYS HB2 H N N 146 +CYS HB3 H N N 147 +CYS HG H N N 148 +CYS HXT H N N 149 +FMT C C N N 150 +FMT O1 O N N 151 +FMT O2 O N N 152 +FMT H H N N 153 +FMT HO2 H N N 154 +GLN N N N N 155 +GLN CA C N S 156 +GLN C C N N 157 +GLN O O N N 158 +GLN CB C N N 159 +GLN CG C N N 160 +GLN CD C N N 161 +GLN OE1 O N N 162 +GLN NE2 N N N 163 +GLN OXT O N N 164 +GLN H H N N 165 +GLN H2 H N N 166 +GLN HA H N N 167 +GLN HB2 H N N 168 +GLN HB3 H N N 169 +GLN HG2 H N N 170 +GLN HG3 H N N 171 +GLN HE21 H N N 172 +GLN HE22 H N N 173 +GLN HXT H N N 174 +GLU N N N N 175 +GLU CA C N S 176 +GLU C C N N 177 +GLU O O N N 178 +GLU CB C N N 179 +GLU CG C N N 180 +GLU CD C N N 181 +GLU OE1 O N N 182 +GLU OE2 O N N 183 +GLU OXT O N N 184 +GLU H H N N 185 +GLU H2 H N N 186 +GLU HA H N N 187 +GLU HB2 H N N 188 +GLU HB3 H N N 189 +GLU HG2 H N N 190 +GLU HG3 H N N 191 +GLU HE2 H N N 192 +GLU HXT H N N 193 +GLY N N N N 194 +GLY CA C N N 195 +GLY C C N N 196 +GLY O O N N 197 +GLY OXT O N N 198 +GLY H H N N 199 +GLY H2 H N N 200 +GLY HA2 H N N 201 +GLY HA3 H N N 202 +GLY HXT H N N 203 +HIS N N N N 204 +HIS CA C N S 205 +HIS C C N N 206 +HIS O O N N 207 +HIS CB C N N 208 +HIS CG C Y N 209 +HIS ND1 N Y N 210 +HIS CD2 C Y N 211 +HIS CE1 C Y N 212 +HIS NE2 N Y N 213 +HIS OXT O N N 214 +HIS H H N N 215 +HIS H2 H N N 216 +HIS HA H N N 217 +HIS HB2 H N N 218 +HIS HB3 H N N 219 +HIS HD1 H N N 220 +HIS HD2 H N N 221 +HIS HE1 H N N 222 +HIS HE2 H N N 223 +HIS HXT H N N 224 +HOH O O N N 225 +HOH H1 H N N 226 +HOH H2 H N N 227 +ILE N N N N 228 +ILE CA C N S 229 +ILE C C N N 230 +ILE O O N N 231 +ILE CB C N S 232 +ILE CG1 C N N 233 +ILE CG2 C N N 234 +ILE CD1 C N N 235 +ILE OXT O N N 236 +ILE H H N N 237 +ILE H2 H N N 238 +ILE HA H N N 239 +ILE HB H N N 240 +ILE HG12 H N N 241 +ILE HG13 H N N 242 +ILE HG21 H N N 243 +ILE HG22 H N N 244 +ILE HG23 H N N 245 +ILE HD11 H N N 246 +ILE HD12 H N N 247 +ILE HD13 H N N 248 +ILE HXT H N N 249 +K K K N N 250 +LEU N N N N 251 +LEU CA C N S 252 +LEU C C N N 253 +LEU O O N N 254 +LEU CB C N N 255 +LEU CG C N N 256 +LEU CD1 C N N 257 +LEU CD2 C N N 258 +LEU OXT O N N 259 +LEU H H N N 260 +LEU H2 H N N 261 +LEU HA H N N 262 +LEU HB2 H N N 263 +LEU HB3 H N N 264 +LEU HG H N N 265 +LEU HD11 H N N 266 +LEU HD12 H N N 267 +LEU HD13 H N N 268 +LEU HD21 H N N 269 +LEU HD22 H N N 270 +LEU HD23 H N N 271 +LEU HXT H N N 272 +LYS N N N N 273 +LYS CA C N S 274 +LYS C C N N 275 +LYS O O N N 276 +LYS CB C N N 277 +LYS CG C N N 278 +LYS CD C N N 279 +LYS CE C N N 280 +LYS NZ N N N 281 +LYS OXT O N N 282 +LYS H H N N 283 +LYS H2 H N N 284 +LYS HA H N N 285 +LYS HB2 H N N 286 +LYS HB3 H N N 287 +LYS HG2 H N N 288 +LYS HG3 H N N 289 +LYS HD2 H N N 290 +LYS HD3 H N N 291 +LYS HE2 H N N 292 +LYS HE3 H N N 293 +LYS HZ1 H N N 294 +LYS HZ2 H N N 295 +LYS HZ3 H N N 296 +LYS HXT H N N 297 +MET N N N N 298 +MET CA C N S 299 +MET C C N N 300 +MET O O N N 301 +MET CB C N N 302 +MET CG C N N 303 +MET SD S N N 304 +MET CE C N N 305 +MET OXT O N N 306 +MET H H N N 307 +MET H2 H N N 308 +MET HA H N N 309 +MET HB2 H N N 310 +MET HB3 H N N 311 +MET HG2 H N N 312 +MET HG3 H N N 313 +MET HE1 H N N 314 +MET HE2 H N N 315 +MET HE3 H N N 316 +MET HXT H N N 317 +PHE N N N N 318 +PHE CA C N S 319 +PHE C C N N 320 +PHE O O N N 321 +PHE CB C N N 322 +PHE CG C Y N 323 +PHE CD1 C Y N 324 +PHE CD2 C Y N 325 +PHE CE1 C Y N 326 +PHE CE2 C Y N 327 +PHE CZ C Y N 328 +PHE OXT O N N 329 +PHE H H N N 330 +PHE H2 H N N 331 +PHE HA H N N 332 +PHE HB2 H N N 333 +PHE HB3 H N N 334 +PHE HD1 H N N 335 +PHE HD2 H N N 336 +PHE HE1 H N N 337 +PHE HE2 H N N 338 +PHE HZ H N N 339 +PHE HXT H N N 340 +PO4 P P N N 341 +PO4 O1 O N N 342 +PO4 O2 O N N 343 +PO4 O3 O N N 344 +PO4 O4 O N N 345 +PRO N N N N 346 +PRO CA C N S 347 +PRO C C N N 348 +PRO O O N N 349 +PRO CB C N N 350 +PRO CG C N N 351 +PRO CD C N N 352 +PRO OXT O N N 353 +PRO H H N N 354 +PRO HA H N N 355 +PRO HB2 H N N 356 +PRO HB3 H N N 357 +PRO HG2 H N N 358 +PRO HG3 H N N 359 +PRO HD2 H N N 360 +PRO HD3 H N N 361 +PRO HXT H N N 362 +SER N N N N 363 +SER CA C N S 364 +SER C C N N 365 +SER O O N N 366 +SER CB C N N 367 +SER OG O N N 368 +SER OXT O N N 369 +SER H H N N 370 +SER H2 H N N 371 +SER HA H N N 372 +SER HB2 H N N 373 +SER HB3 H N N 374 +SER HG H N N 375 +SER HXT H N N 376 +THR N N N N 377 +THR CA C N S 378 +THR C C N N 379 +THR O O N N 380 +THR CB C N R 381 +THR OG1 O N N 382 +THR CG2 C N N 383 +THR OXT O N N 384 +THR H H N N 385 +THR H2 H N N 386 +THR HA H N N 387 +THR HB H N N 388 +THR HG1 H N N 389 +THR HG21 H N N 390 +THR HG22 H N N 391 +THR HG23 H N N 392 +THR HXT H N N 393 +TYR N N N N 394 +TYR CA C N S 395 +TYR C C N N 396 +TYR O O N N 397 +TYR CB C N N 398 +TYR CG C Y N 399 +TYR CD1 C Y N 400 +TYR CD2 C Y N 401 +TYR CE1 C Y N 402 +TYR CE2 C Y N 403 +TYR CZ C Y N 404 +TYR OH O N N 405 +TYR OXT O N N 406 +TYR H H N N 407 +TYR H2 H N N 408 +TYR HA H N N 409 +TYR HB2 H N N 410 +TYR HB3 H N N 411 +TYR HD1 H N N 412 +TYR HD2 H N N 413 +TYR HE1 H N N 414 +TYR HE2 H N N 415 +TYR HH H N N 416 +TYR HXT H N N 417 +VAL N N N N 418 +VAL CA C N S 419 +VAL C C N N 420 +VAL O O N N 421 +VAL CB C N N 422 +VAL CG1 C N N 423 +VAL CG2 C N N 424 +VAL OXT O N N 425 +VAL H H N N 426 +VAL H2 H N N 427 +VAL HA H N N 428 +VAL HB H N N 429 +VAL HG11 H N N 430 +VAL HG12 H N N 431 +VAL HG13 H N N 432 +VAL HG21 H N N 433 +VAL HG22 H N N 434 +VAL HG23 H N N 435 +VAL HXT H N N 436 +ZN ZN ZN N N 437 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +ASP N CA sing N N 55 +ASP N H sing N N 56 +ASP N H2 sing N N 57 +ASP CA C sing N N 58 +ASP CA CB sing N N 59 +ASP CA HA sing N N 60 +ASP C O doub N N 61 +ASP C OXT sing N N 62 +ASP CB CG sing N N 63 +ASP CB HB2 sing N N 64 +ASP CB HB3 sing N N 65 +ASP CG OD1 doub N N 66 +ASP CG OD2 sing N N 67 +ASP OD2 HD2 sing N N 68 +ASP OXT HXT sing N N 69 +BB2 C5 C3 sing N N 70 +BB2 C5 C6 sing N N 71 +BB2 C5 H51 sing N N 72 +BB2 C5 H52 sing N N 73 +BB2 C3 O4 doub N N 74 +BB2 C3 N1 sing N N 75 +BB2 N1 O2 sing N N 76 +BB2 N1 HN1 sing N N 77 +BB2 O2 HO2 sing N N 78 +BB2 C6 C12 sing N N 79 +BB2 C6 C7 sing N N 80 +BB2 C6 H6 sing N N 81 +BB2 C12 O13 doub N N 82 +BB2 C12 N14 sing N N 83 +BB2 C7 C8 sing N N 84 +BB2 C7 H71 sing N N 85 +BB2 C7 H72 sing N N 86 +BB2 C8 C9 sing N N 87 +BB2 C8 H81 sing N N 88 +BB2 C8 H82 sing N N 89 +BB2 C9 C10 sing N N 90 +BB2 C9 H91 sing N N 91 +BB2 C9 H92 sing N N 92 +BB2 C10 C11 sing N N 93 +BB2 C10 H101 sing N N 94 +BB2 C10 H102 sing N N 95 +BB2 C11 H111 sing N N 96 +BB2 C11 H112 sing N N 97 +BB2 C11 H113 sing N N 98 +BB2 N14 C15 sing N N 99 +BB2 N14 H14 sing N N 100 +BB2 C15 C16 sing N N 101 +BB2 C15 C19 sing N N 102 +BB2 C15 H15 sing N N 103 +BB2 C16 C18 sing N N 104 +BB2 C16 C17 sing N N 105 +BB2 C16 H16 sing N N 106 +BB2 C18 H181 sing N N 107 +BB2 C18 H182 sing N N 108 +BB2 C18 H183 sing N N 109 +BB2 C17 H171 sing N N 110 +BB2 C17 H172 sing N N 111 +BB2 C17 H173 sing N N 112 +BB2 C19 O20 doub N N 113 +BB2 C19 N21 sing N N 114 +BB2 N21 C22 sing N N 115 +BB2 N21 C23 sing N N 116 +BB2 C22 C25 sing N N 117 +BB2 C22 C26 sing N N 118 +BB2 C22 H22 sing N N 119 +BB2 C23 C24 sing N N 120 +BB2 C23 H231 sing N N 121 +BB2 C23 H232 sing N N 122 +BB2 C24 C25 sing N N 123 +BB2 C24 H241 sing N N 124 +BB2 C24 H242 sing N N 125 +BB2 C25 H251 sing N N 126 +BB2 C25 H252 sing N N 127 +BB2 C26 O27 sing N N 128 +BB2 C26 H261 sing N N 129 +BB2 C26 H262 sing N N 130 +BB2 O27 H27 sing N N 131 +CYS N CA sing N N 132 +CYS N H sing N N 133 +CYS N H2 sing N N 134 +CYS CA C sing N N 135 +CYS CA CB sing N N 136 +CYS CA HA sing N N 137 +CYS C O doub N N 138 +CYS C OXT sing N N 139 +CYS CB SG sing N N 140 +CYS CB HB2 sing N N 141 +CYS CB HB3 sing N N 142 +CYS SG HG sing N N 143 +CYS OXT HXT sing N N 144 +FMT C O1 doub N N 145 +FMT C O2 sing N N 146 +FMT C H sing N N 147 +FMT O2 HO2 sing N N 148 +GLN N CA sing N N 149 +GLN N H sing N N 150 +GLN N H2 sing N N 151 +GLN CA C sing N N 152 +GLN CA CB sing N N 153 +GLN CA HA sing N N 154 +GLN C O doub N N 155 +GLN C OXT sing N N 156 +GLN CB CG sing N N 157 +GLN CB HB2 sing N N 158 +GLN CB HB3 sing N N 159 +GLN CG CD sing N N 160 +GLN CG HG2 sing N N 161 +GLN CG HG3 sing N N 162 +GLN CD OE1 doub N N 163 +GLN CD NE2 sing N N 164 +GLN NE2 HE21 sing N N 165 +GLN NE2 HE22 sing N N 166 +GLN OXT HXT sing N N 167 +GLU N CA sing N N 168 +GLU N H sing N N 169 +GLU N H2 sing N N 170 +GLU CA C sing N N 171 +GLU CA CB sing N N 172 +GLU CA HA sing N N 173 +GLU C O doub N N 174 +GLU C OXT sing N N 175 +GLU CB CG sing N N 176 +GLU CB HB2 sing N N 177 +GLU CB HB3 sing N N 178 +GLU CG CD sing N N 179 +GLU CG HG2 sing N N 180 +GLU CG HG3 sing N N 181 +GLU CD OE1 doub N N 182 +GLU CD OE2 sing N N 183 +GLU OE2 HE2 sing N N 184 +GLU OXT HXT sing N N 185 +GLY N CA sing N N 186 +GLY N H sing N N 187 +GLY N H2 sing N N 188 +GLY CA C sing N N 189 +GLY CA HA2 sing N N 190 +GLY CA HA3 sing N N 191 +GLY C O doub N N 192 +GLY C OXT sing N N 193 +GLY OXT HXT sing N N 194 +HIS N CA sing N N 195 +HIS N H sing N N 196 +HIS N H2 sing N N 197 +HIS CA C sing N N 198 +HIS CA CB sing N N 199 +HIS CA HA sing N N 200 +HIS C O doub N N 201 +HIS C OXT sing N N 202 +HIS CB CG sing N N 203 +HIS CB HB2 sing N N 204 +HIS CB HB3 sing N N 205 +HIS CG ND1 sing Y N 206 +HIS CG CD2 doub Y N 207 +HIS ND1 CE1 doub Y N 208 +HIS ND1 HD1 sing N N 209 +HIS CD2 NE2 sing Y N 210 +HIS CD2 HD2 sing N N 211 +HIS CE1 NE2 sing Y N 212 +HIS CE1 HE1 sing N N 213 +HIS NE2 HE2 sing N N 214 +HIS OXT HXT sing N N 215 +HOH O H1 sing N N 216 +HOH O H2 sing N N 217 +ILE N CA sing N N 218 +ILE N H sing N N 219 +ILE N H2 sing N N 220 +ILE CA C sing N N 221 +ILE CA CB sing N N 222 +ILE CA HA sing N N 223 +ILE C O doub N N 224 +ILE C OXT sing N N 225 +ILE CB CG1 sing N N 226 +ILE CB CG2 sing N N 227 +ILE CB HB sing N N 228 +ILE CG1 CD1 sing N N 229 +ILE CG1 HG12 sing N N 230 +ILE CG1 HG13 sing N N 231 +ILE CG2 HG21 sing N N 232 +ILE CG2 HG22 sing N N 233 +ILE CG2 HG23 sing N N 234 +ILE CD1 HD11 sing N N 235 +ILE CD1 HD12 sing N N 236 +ILE CD1 HD13 sing N N 237 +ILE OXT HXT sing N N 238 +LEU N CA sing N N 239 +LEU N H sing N N 240 +LEU N H2 sing N N 241 +LEU CA C sing N N 242 +LEU CA CB sing N N 243 +LEU CA HA sing N N 244 +LEU C O doub N N 245 +LEU C OXT sing N N 246 +LEU CB CG sing N N 247 +LEU CB HB2 sing N N 248 +LEU CB HB3 sing N N 249 +LEU CG CD1 sing N N 250 +LEU CG CD2 sing N N 251 +LEU CG HG sing N N 252 +LEU CD1 HD11 sing N N 253 +LEU CD1 HD12 sing N N 254 +LEU CD1 HD13 sing N N 255 +LEU CD2 HD21 sing N N 256 +LEU CD2 HD22 sing N N 257 +LEU CD2 HD23 sing N N 258 +LEU OXT HXT sing N N 259 +LYS N CA sing N N 260 +LYS N H sing N N 261 +LYS N H2 sing N N 262 +LYS CA C sing N N 263 +LYS CA CB sing N N 264 +LYS CA HA sing N N 265 +LYS C O doub N N 266 +LYS C OXT sing N N 267 +LYS CB CG sing N N 268 +LYS CB HB2 sing N N 269 +LYS CB HB3 sing N N 270 +LYS CG CD sing N N 271 +LYS CG HG2 sing N N 272 +LYS CG HG3 sing N N 273 +LYS CD CE sing N N 274 +LYS CD HD2 sing N N 275 +LYS CD HD3 sing N N 276 +LYS CE NZ sing N N 277 +LYS CE HE2 sing N N 278 +LYS CE HE3 sing N N 279 +LYS NZ HZ1 sing N N 280 +LYS NZ HZ2 sing N N 281 +LYS NZ HZ3 sing N N 282 +LYS OXT HXT sing N N 283 +MET N CA sing N N 284 +MET N H sing N N 285 +MET N H2 sing N N 286 +MET CA C sing N N 287 +MET CA CB sing N N 288 +MET CA HA sing N N 289 +MET C O doub N N 290 +MET C OXT sing N N 291 +MET CB CG sing N N 292 +MET CB HB2 sing N N 293 +MET CB HB3 sing N N 294 +MET CG SD sing N N 295 +MET CG HG2 sing N N 296 +MET CG HG3 sing N N 297 +MET SD CE sing N N 298 +MET CE HE1 sing N N 299 +MET CE HE2 sing N N 300 +MET CE HE3 sing N N 301 +MET OXT HXT sing N N 302 +PHE N CA sing N N 303 +PHE N H sing N N 304 +PHE N H2 sing N N 305 +PHE CA C sing N N 306 +PHE CA CB sing N N 307 +PHE CA HA sing N N 308 +PHE C O doub N N 309 +PHE C OXT sing N N 310 +PHE CB CG sing N N 311 +PHE CB HB2 sing N N 312 +PHE CB HB3 sing N N 313 +PHE CG CD1 doub Y N 314 +PHE CG CD2 sing Y N 315 +PHE CD1 CE1 sing Y N 316 +PHE CD1 HD1 sing N N 317 +PHE CD2 CE2 doub Y N 318 +PHE CD2 HD2 sing N N 319 +PHE CE1 CZ doub Y N 320 +PHE CE1 HE1 sing N N 321 +PHE CE2 CZ sing Y N 322 +PHE CE2 HE2 sing N N 323 +PHE CZ HZ sing N N 324 +PHE OXT HXT sing N N 325 +PO4 P O1 doub N N 326 +PO4 P O2 sing N N 327 +PO4 P O3 sing N N 328 +PO4 P O4 sing N N 329 +PRO N CA sing N N 330 +PRO N CD sing N N 331 +PRO N H sing N N 332 +PRO CA C sing N N 333 +PRO CA CB sing N N 334 +PRO CA HA sing N N 335 +PRO C O doub N N 336 +PRO C OXT sing N N 337 +PRO CB CG sing N N 338 +PRO CB HB2 sing N N 339 +PRO CB HB3 sing N N 340 +PRO CG CD sing N N 341 +PRO CG HG2 sing N N 342 +PRO CG HG3 sing N N 343 +PRO CD HD2 sing N N 344 +PRO CD HD3 sing N N 345 +PRO OXT HXT sing N N 346 +SER N CA sing N N 347 +SER N H sing N N 348 +SER N H2 sing N N 349 +SER CA C sing N N 350 +SER CA CB sing N N 351 +SER CA HA sing N N 352 +SER C O doub N N 353 +SER C OXT sing N N 354 +SER CB OG sing N N 355 +SER CB HB2 sing N N 356 +SER CB HB3 sing N N 357 +SER OG HG sing N N 358 +SER OXT HXT sing N N 359 +THR N CA sing N N 360 +THR N H sing N N 361 +THR N H2 sing N N 362 +THR CA C sing N N 363 +THR CA CB sing N N 364 +THR CA HA sing N N 365 +THR C O doub N N 366 +THR C OXT sing N N 367 +THR CB OG1 sing N N 368 +THR CB CG2 sing N N 369 +THR CB HB sing N N 370 +THR OG1 HG1 sing N N 371 +THR CG2 HG21 sing N N 372 +THR CG2 HG22 sing N N 373 +THR CG2 HG23 sing N N 374 +THR OXT HXT sing N N 375 +TYR N CA sing N N 376 +TYR N H sing N N 377 +TYR N H2 sing N N 378 +TYR CA C sing N N 379 +TYR CA CB sing N N 380 +TYR CA HA sing N N 381 +TYR C O doub N N 382 +TYR C OXT sing N N 383 +TYR CB CG sing N N 384 +TYR CB HB2 sing N N 385 +TYR CB HB3 sing N N 386 +TYR CG CD1 doub Y N 387 +TYR CG CD2 sing Y N 388 +TYR CD1 CE1 sing Y N 389 +TYR CD1 HD1 sing N N 390 +TYR CD2 CE2 doub Y N 391 +TYR CD2 HD2 sing N N 392 +TYR CE1 CZ doub Y N 393 +TYR CE1 HE1 sing N N 394 +TYR CE2 CZ sing Y N 395 +TYR CE2 HE2 sing N N 396 +TYR CZ OH sing N N 397 +TYR OH HH sing N N 398 +TYR OXT HXT sing N N 399 +VAL N CA sing N N 400 +VAL N H sing N N 401 +VAL N H2 sing N N 402 +VAL CA C sing N N 403 +VAL CA CB sing N N 404 +VAL CA HA sing N N 405 +VAL C O doub N N 406 +VAL C OXT sing N N 407 +VAL CB CG1 sing N N 408 +VAL CB CG2 sing N N 409 +VAL CB HB sing N N 410 +VAL CG1 HG11 sing N N 411 +VAL CG1 HG12 sing N N 412 +VAL CG1 HG13 sing N N 413 +VAL CG2 HG21 sing N N 414 +VAL CG2 HG22 sing N N 415 +VAL CG2 HG23 sing N N 416 +VAL OXT HXT sing N N 417 +# +loop_ +_pdbx_audit_support.funding_organization +_pdbx_audit_support.country +_pdbx_audit_support.grant_number +_pdbx_audit_support.ordinal +'European Research Council (ERC)' 'European Union' 716058 1 +'Swiss National Science Foundation' Switzerland 310030_197724 2 +# +_pdbx_initial_refinement_model.id 1 +_pdbx_initial_refinement_model.entity_id_list ? +_pdbx_initial_refinement_model.type 'in silico model' +_pdbx_initial_refinement_model.source_name Other +_pdbx_initial_refinement_model.accession_code ? +_pdbx_initial_refinement_model.details Rosetta +# +_space_group.name_H-M_alt 'P 21 21 21' +_space_group.name_Hall 'P 2ac 2ab' +_space_group.IT_number 19 +_space_group.crystal_system orthorhombic +_space_group.id 1 +# +_atom_sites.entry_id 8S1X +_atom_sites.Cartn_transf_matrix[1][1] ? +_atom_sites.Cartn_transf_matrix[1][2] ? +_atom_sites.Cartn_transf_matrix[1][3] ? +_atom_sites.Cartn_transf_matrix[2][1] ? +_atom_sites.Cartn_transf_matrix[2][2] ? +_atom_sites.Cartn_transf_matrix[2][3] ? +_atom_sites.Cartn_transf_matrix[3][1] ? +_atom_sites.Cartn_transf_matrix[3][2] ? +_atom_sites.Cartn_transf_matrix[3][3] ? +_atom_sites.Cartn_transf_vector[1] ? +_atom_sites.Cartn_transf_vector[2] ? +_atom_sites.Cartn_transf_vector[3] ? +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.020227 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.013332 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.012025 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +_atom_sites.solution_primary ? +_atom_sites.solution_secondary ? +_atom_sites.solution_hydrogens ? +_atom_sites.special_details ? +# +loop_ +_atom_type.symbol +_atom_type.scat_dispersion_real +_atom_type.scat_dispersion_imag +_atom_type.scat_Cromer_Mann_a1 +_atom_type.scat_Cromer_Mann_a2 +_atom_type.scat_Cromer_Mann_a3 +_atom_type.scat_Cromer_Mann_a4 +_atom_type.scat_Cromer_Mann_b1 +_atom_type.scat_Cromer_Mann_b2 +_atom_type.scat_Cromer_Mann_b3 +_atom_type.scat_Cromer_Mann_b4 +_atom_type.scat_Cromer_Mann_c +_atom_type.scat_source +_atom_type.scat_dispersion_source +C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364 ? ? 0.0 +;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. +; +? +H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584 ? ? 0.0 +;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. +; +? +K ? ? 16.37977 2.54835 ? ? 4.54127 84.28225 ? ? 0.0 +;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. +; +? +N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589 ? ? 0.0 +;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. +; +? +O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748 ? ? 0.0 +;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. +; +? +P ? ? 9.51135 5.44231 ? ? 1.42069 35.72801 ? ? 0.0 +;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. +; +? +S ? ? 9.55732 6.39887 ? ? 1.23737 29.19336 ? ? 0.0 +;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. +; +? +ZN ? ? 24.64596 5.25405 ? ? 2.14387 29.76375 ? ? 0.0 +;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. +; +? +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . ALA A 1 2 ? 6.09200 -2.18100 30.33200 1.000 55.98566 ? 2 ALA A N 1 +ATOM 2 C CA . ALA A 1 2 ? 7.36700 -2.87100 30.13400 1.000 52.28258 ? 2 ALA A CA 1 +ATOM 3 C C . ALA A 1 2 ? 7.18100 -4.06300 29.18900 1.000 50.40341 ? 2 ALA A C 1 +ATOM 4 O O . ALA A 1 2 ? 6.08100 -4.60500 29.08700 1.000 50.47974 ? 2 ALA A O 1 +ATOM 5 C CB . ALA A 1 2 ? 7.92500 -3.33500 31.45700 1.000 57.16738 ? 2 ALA A CB 1 +ATOM 6 H HA . ALA A 1 2 ? 8.00700 -2.25800 29.73900 1.000 62.75000 ? 2 ALA A HA 1 +ATOM 7 H HB1 . ALA A 1 2 ? 8.75900 -3.80500 31.30100 1.000 68.61000 ? 2 ALA A HB1 1 +ATOM 8 H HB2 . ALA A 1 2 ? 8.08200 -2.56200 32.02200 1.000 68.61000 ? 2 ALA A HB2 1 +ATOM 9 H HB3 . ALA A 1 2 ? 7.28500 -3.92800 31.87900 1.000 68.61000 ? 2 ALA A HB3 1 +ATOM 10 N N . ILE A 1 3 ? 8.25000 -4.46900 28.50600 1.000 44.47902 ? 3 ILE A N 1 +ATOM 11 C CA . ILE A 1 3 ? 8.19500 -5.62000 27.61100 1.000 49.45856 ? 3 ILE A CA 1 +ATOM 12 C C . ILE A 1 3 ? 8.46700 -6.88100 28.42200 1.000 49.39013 ? 3 ILE A C 1 +ATOM 13 O O . ILE A 1 3 ? 9.49200 -6.97400 29.10000 1.000 55.96197 ? 3 ILE A O 1 +ATOM 14 C CB . ILE A 1 3 ? 9.22200 -5.49000 26.47000 1.000 54.00648 ? 3 ILE A CB 1 +ATOM 15 C CG1 . ILE A 1 3 ? 8.93400 -4.26500 25.59300 1.000 58.73073 ? 3 ILE A CG1 1 +ATOM 16 C CG2 . ILE A 1 3 ? 9.20200 -6.77500 25.62700 1.000 47.89522 ? 3 ILE A CG2 1 +ATOM 17 C CD1 . ILE A 1 3 ? 7.54500 -4.24400 25.02000 1.000 55.83827 ? 3 ILE A CD1 1 +ATOM 18 H H . ILE A 1 3 ? 9.02200 -4.09100 28.54500 1.000 53.39000 ? 3 ILE A H 1 +ATOM 19 H HA . ILE A 1 3 ? 7.30600 -5.67500 27.22500 1.000 59.36000 ? 3 ILE A HA 1 +ATOM 20 H HB . ILE A 1 3 ? 10.10200 -5.36500 26.85900 1.000 64.82000 ? 3 ILE A HB 1 +ATOM 21 H HG12 . ILE A 1 3 ? 9.04500 -3.46400 26.12900 1.000 70.49000 ? 3 ILE A HG12 1 +ATOM 22 H HG13 . ILE A 1 3 ? 9.56000 -4.25700 24.85200 1.000 70.49000 ? 3 ILE A HG13 1 +ATOM 23 H HG21 . ILE A 1 3 ? 9.65200 -6.60600 24.78400 1.000 57.49000 ? 3 ILE A HG21 1 +ATOM 24 H HG22 . ILE A 1 3 ? 9.66100 -7.47800 26.11200 1.000 57.49000 ? 3 ILE A HG22 1 +ATOM 25 H HG23 . ILE A 1 3 ? 8.28100 -7.03200 25.46500 1.000 57.49000 ? 3 ILE A HG23 1 +ATOM 26 H HD11 . ILE A 1 3 ? 7.49000 -3.54500 24.35000 1.000 67.02000 ? 3 ILE A HD11 1 +ATOM 27 H HD12 . ILE A 1 3 ? 7.35800 -5.10600 24.61400 1.000 67.02000 ? 3 ILE A HD12 1 +ATOM 28 H HD13 . ILE A 1 3 ? 6.91100 -4.07000 25.73300 1.000 67.02000 ? 3 ILE A HD13 1 +ATOM 29 N N . LEU A 1 4 ? 7.57200 -7.84600 28.33800 1.000 41.05755 ? 4 LEU A N 1 +ATOM 30 C CA . LEU A 1 4 ? 7.70200 -9.11800 29.02200 1.000 49.41382 ? 4 LEU A CA 1 +ATOM 31 C C . LEU A 1 4 ? 8.28800 -10.18300 28.09700 1.000 52.65631 ? 4 LEU A C 1 +ATOM 32 O O . LEU A 1 4 ? 8.10900 -10.14800 26.87500 1.000 49.88756 ? 4 LEU A O 1 +ATOM 33 C CB . LEU A 1 4 ? 6.34200 -9.58200 29.53600 1.000 48.60846 ? 4 LEU A CB 1 +ATOM 34 C CG . LEU A 1 4 ? 5.61100 -8.56200 30.40900 1.000 49.63227 ? 4 LEU A CG 1 +ATOM 35 C CD1 . LEU A 1 4 ? 4.23200 -9.05900 30.77700 1.000 49.99020 ? 4 LEU A CD1 1 +ATOM 36 C CD2 . LEU A 1 4 ? 6.44700 -8.26900 31.64400 1.000 55.65931 ? 4 LEU A CD2 1 +ATOM 37 H H . LEU A 1 4 ? 6.85200 -7.78600 27.87300 1.000 49.28000 ? 4 LEU A H 1 +ATOM 38 H HA . LEU A 1 4 ? 8.30700 -9.01400 29.77300 1.000 59.31000 ? 4 LEU A HA 1 +ATOM 39 H HB2 . LEU A 1 4 ? 5.77400 -9.77600 28.77300 1.000 58.34000 ? 4 LEU A HB2 1 +ATOM 40 H HB3 . LEU A 1 4 ? 6.47000 -10.38400 30.06600 1.000 58.34000 ? 4 LEU A HB3 1 +ATOM 41 H HG . LEU A 1 4 ? 5.48900 -7.73300 29.91900 1.000 59.57000 ? 4 LEU A HG 1 +ATOM 42 H HD11 . LEU A 1 4 ? 3.79800 -8.39900 31.34000 1.000 60.00000 ? 4 LEU A HD11 1 +ATOM 43 H HD12 . LEU A 1 4 ? 3.71700 -9.19000 29.96500 1.000 60.00000 ? 4 LEU A HD12 1 +ATOM 44 H HD13 . LEU A 1 4 ? 4.31600 -9.89800 31.25500 1.000 60.00000 ? 4 LEU A HD13 1 +ATOM 45 H HD21 . LEU A 1 4 ? 5.92000 -7.73900 32.26300 1.000 66.80000 ? 4 LEU A HD21 1 +ATOM 46 H HD22 . LEU A 1 4 ? 6.70100 -9.10700 32.05900 1.000 66.80000 ? 4 LEU A HD22 1 +ATOM 47 H HD23 . LEU A 1 4 ? 7.24000 -7.77700 31.37900 1.000 66.80000 ? 4 LEU A HD23 1 +ATOM 48 N N . ASN A 1 5 ? 8.99000 -11.13700 28.69600 1.000 47.77152 ? 5 ASN A N 1 +ATOM 49 C CA . ASN A 1 5 ? 9.51800 -12.27100 27.95300 1.000 44.68167 ? 5 ASN A CA 1 +ATOM 50 C C . ASN A 1 5 ? 8.39900 -13.25100 27.60700 1.000 48.95850 ? 5 ASN A C 1 +ATOM 51 O O . ASN A 1 5 ? 7.55000 -13.56900 28.44700 1.000 47.19250 ? 5 ASN A O 1 +ATOM 52 C CB . ASN A 1 5 ? 10.60100 -12.98500 28.76000 1.000 52.68790 ? 5 ASN A CB 1 +ATOM 53 C CG . ASN A 1 5 ? 11.04200 -14.28600 28.11600 1.000 65.51312 ? 5 ASN A CG 1 +ATOM 54 O OD1 . ASN A 1 5 ? 11.75600 -14.28600 27.11300 1.000 65.83421 ? 5 ASN A OD1 1 +ATOM 55 N ND2 . ASN A 1 5 ? 10.61100 -15.40900 28.68900 1.000 70.61636 ? 5 ASN A ND2 1 +ATOM 56 H H . ASN A 1 5 ? 9.17500 -11.15000 29.53600 1.000 57.34000 ? 5 ASN A H 1 +ATOM 57 H HA . ASN A 1 5 ? 9.91500 -11.95500 27.12700 1.000 53.63000 ? 5 ASN A HA 1 +ATOM 58 H HB2 . ASN A 1 5 ? 11.37700 -12.40700 28.83000 1.000 63.24000 ? 5 ASN A HB2 1 +ATOM 59 H HB3 . ASN A 1 5 ? 10.25700 -13.18800 29.64400 1.000 63.24000 ? 5 ASN A HB3 1 +ATOM 60 H HD21 . ASN A 1 5 ? 10.83400 -16.17200 28.36000 1.000 84.75000 ? 5 ASN A HD21 1 +ATOM 61 H HD22 . ASN A 1 5 ? 10.11100 -15.37000 29.38700 1.000 84.75000 ? 5 ASN A HD22 1 +ATOM 62 N N . ILE A 1 6 ? 8.41100 -13.73700 26.36500 1.000 41.20494 ? 6 ILE A N 1 +ATOM 63 C CA . ILE A 1 6 ? 7.40800 -14.66900 25.87500 1.000 41.48655 ? 6 ILE A CA 1 +ATOM 64 C C . ILE A 1 6 ? 7.98400 -16.07900 25.89800 1.000 46.03183 ? 6 ILE A C 1 +ATOM 65 O O . ILE A 1 6 ? 9.01000 -16.35100 25.26400 1.000 48.32158 ? 6 ILE A O 1 +ATOM 66 C CB . ILE A 1 6 ? 6.93900 -14.28700 24.45900 1.000 40.93386 ? 6 ILE A CB 1 +ATOM 67 C CG1 . ILE A 1 6 ? 6.22400 -12.93700 24.50600 1.000 42.14189 ? 6 ILE A CG1 1 +ATOM 68 C CG2 . ILE A 1 6 ? 6.05800 -15.38600 23.88000 1.000 39.29418 ? 6 ILE A CG2 1 +ATOM 69 C CD1 . ILE A 1 6 ? 5.84900 -12.37300 23.13800 1.000 44.62377 ? 6 ILE A CD1 1 +ATOM 70 H H . ILE A 1 6 ? 9.00600 -13.53400 25.77900 1.000 49.39000 ? 6 ILE A H 1 +ATOM 71 H HA . ILE A 1 6 ? 6.64600 -14.65200 26.47600 1.000 49.79000 ? 6 ILE A HA 1 +ATOM 72 H HB . ILE A 1 6 ? 7.70600 -14.19800 23.87300 1.000 49.13000 ? 6 ILE A HB 1 +ATOM 73 H HG12 . ILE A 1 6 ? 5.40500 -13.03800 25.01600 1.000 50.58000 ? 6 ILE A HG12 1 +ATOM 74 H HG13 . ILE A 1 6 ? 6.80600 -12.29300 24.93900 1.000 50.58000 ? 6 ILE A HG13 1 +ATOM 75 H HG21 . ILE A 1 6 ? 5.58900 -15.03900 23.10500 1.000 47.16000 ? 6 ILE A HG21 1 +ATOM 76 H HG22 . ILE A 1 6 ? 6.61700 -16.13500 23.62000 1.000 47.16000 ? 6 ILE A HG22 1 +ATOM 77 H HG23 . ILE A 1 6 ? 5.42000 -15.66800 24.55400 1.000 47.16000 ? 6 ILE A HG23 1 +ATOM 78 H HD11 . ILE A 1 6 ? 5.59100 -11.44300 23.23900 1.000 53.56000 ? 6 ILE A HD11 1 +ATOM 79 H HD12 . ILE A 1 6 ? 6.61600 -12.44100 22.54700 1.000 53.56000 ? 6 ILE A HD12 1 +ATOM 80 H HD13 . ILE A 1 6 ? 5.10800 -12.88400 22.77800 1.000 53.56000 ? 6 ILE A HD13 1 +ATOM 81 N N . LEU A 1 7 ? 7.32000 -16.98100 26.61900 1.000 47.95049 ? 7 LEU A N 1 +ATOM 82 C CA . LEU A 1 7 ? 7.72800 -18.38100 26.64100 1.000 41.26811 ? 7 LEU A CA 1 +ATOM 83 C C . LEU A 1 7 ? 7.52600 -19.02400 25.27000 1.000 40.86016 ? 7 LEU A C 1 +ATOM 84 O O . LEU A 1 7 ? 6.59900 -18.68600 24.53000 1.000 44.21583 ? 7 LEU A O 1 +ATOM 85 C CB . LEU A 1 7 ? 6.91800 -19.14900 27.68100 1.000 43.08148 ? 7 LEU A CB 1 +ATOM 86 C CG . LEU A 1 7 ? 6.97300 -18.68000 29.13200 1.000 47.78994 ? 7 LEU A CG 1 +ATOM 87 C CD1 . LEU A 1 7 ? 5.93700 -19.47300 29.92400 1.000 47.64782 ? 7 LEU A CD1 1 +ATOM 88 C CD2 . LEU A 1 7 ? 8.35000 -18.83900 29.71600 1.000 48.34264 ? 7 LEU A CD2 1 +ATOM 89 H H . LEU A 1 7 ? 6.63100 -16.80700 27.10300 1.000 57.55000 ? 7 LEU A H 1 +ATOM 90 H HA . LEU A 1 7 ? 8.66800 -18.43600 26.87300 1.000 49.53000 ? 7 LEU A HA 1 +ATOM 91 H HB2 . LEU A 1 7 ? 5.98700 -19.11300 27.41300 1.000 51.71000 ? 7 LEU A HB2 1 +ATOM 92 H HB3 . LEU A 1 7 ? 7.23000 -20.06800 27.67500 1.000 51.71000 ? 7 LEU A HB3 1 +ATOM 93 H HG . LEU A 1 7 ? 6.77100 -17.73300 29.18500 1.000 57.36000 ? 7 LEU A HG 1 +ATOM 94 H HD11 . LEU A 1 7 ? 5.95900 -19.18400 30.84900 1.000 57.19000 ? 7 LEU A HD11 1 +ATOM 95 H HD12 . LEU A 1 7 ? 5.05900 -19.30900 29.54700 1.000 57.19000 ? 7 LEU A HD12 1 +ATOM 96 H HD13 . LEU A 1 7 ? 6.15100 -20.41700 29.86700 1.000 57.19000 ? 7 LEU A HD13 1 +ATOM 97 H HD21 . LEU A 1 7 ? 8.34100 -18.52800 30.63500 1.000 58.02000 ? 7 LEU A HD21 1 +ATOM 98 H HD22 . LEU A 1 7 ? 8.59900 -19.77600 29.68700 1.000 58.02000 ? 7 LEU A HD22 1 +ATOM 99 H HD23 . LEU A 1 7 ? 8.97700 -18.31400 29.19500 1.000 58.02000 ? 7 LEU A HD23 1 +ATOM 100 N N . GLU A 1 8 ? 8.39700 -19.97200 24.94100 1.000 41.16809 ? 8 GLU A N 1 +ATOM 101 C CA . GLU A 1 8 ? 8.33700 -20.68100 23.66200 1.000 48.76637 ? 8 GLU A CA 1 +ATOM 102 C C . GLU A 1 8 ? 8.24800 -22.18700 23.84900 1.000 48.38475 ? 8 GLU A C 1 +ATOM 103 O O . GLU A 1 8 ? 8.99600 -22.76400 24.64700 1.000 44.45007 ? 8 GLU A O 1 +ATOM 104 C CB . GLU A 1 8 ? 9.56500 -20.34900 22.79800 1.000 50.45342 ? 8 GLU A CB 1 +ATOM 105 C CG . GLU A 1 8 ? 9.68600 -18.87200 22.46700 1.000 49.68227 ? 8 GLU A CG 1 +ATOM 106 C CD . GLU A 1 8 ? 10.88700 -18.56000 21.59300 1.000 58.57018 ? 8 GLU A CD 1 +ATOM 107 O OE1 . GLU A 1 8 ? 11.50800 -19.51100 21.05600 1.000 54.48022 ? 8 GLU A OE1 1 +ATOM 108 O OE2 . GLU A 1 8 ? 11.21000 -17.35700 21.45100 1.000 51.58513 ? 8 GLU A OE2 1 +ATOM 109 H H . GLU A 1 8 ? 9.04200 -20.22700 25.44900 1.000 49.34000 ? 8 GLU A H 1 +ATOM 110 H HA . GLU A 1 8 ? 7.52500 -20.40200 23.21100 1.000 58.53000 ? 8 GLU A HA 1 +ATOM 111 H HB2 . GLU A 1 8 ? 10.36600 -20.61400 23.27600 1.000 60.56000 ? 8 GLU A HB2 1 +ATOM 112 H HB3 . GLU A 1 8 ? 9.50100 -20.83800 21.96200 1.000 60.56000 ? 8 GLU A HB3 1 +ATOM 113 H HG2 . GLU A 1 8 ? 8.88800 -18.58900 21.99200 1.000 59.63000 ? 8 GLU A HG2 1 +ATOM 114 H HG3 . GLU A 1 8 ? 9.77700 -18.37000 23.29100 1.000 59.63000 ? 8 GLU A HG3 1 +ATOM 115 N N . PHE A 1 9 ? 7.34900 -22.81500 23.09200 1.000 45.03435 ? 9 PHE A N 1 +ATOM 116 C CA . PHE A 1 9 ? 7.30000 -24.26500 22.94500 1.000 41.92608 ? 9 PHE A CA 1 +ATOM 117 C C . PHE A 1 9 ? 8.70900 -24.79600 22.69000 1.000 46.58453 ? 9 PHE A C 1 +ATOM 118 O O . PHE A 1 9 ? 9.45300 -24.20300 21.90300 1.000 49.06115 ? 9 PHE A O 1 +ATOM 119 C CB . PHE A 1 9 ? 6.33900 -24.58900 21.77400 1.000 42.51826 ? 9 PHE A CB 1 +ATOM 120 C CG . PHE A 1 9 ? 6.17100 -26.04200 21.46000 1.000 43.42626 ? 9 PHE A CG 1 +ATOM 121 C CD1 . PHE A 1 9 ? 5.58400 -26.90900 22.36100 1.000 46.67928 ? 9 PHE A CD1 1 +ATOM 122 C CD2 . PHE A 1 9 ? 6.55500 -26.54000 20.22600 1.000 43.15517 ? 9 PHE A CD2 1 +ATOM 123 C CE1 . PHE A 1 9 ? 5.43300 -28.25700 22.06600 1.000 46.32398 ? 9 PHE A CE1 1 +ATOM 124 C CE2 . PHE A 1 9 ? 6.38500 -27.87400 19.91400 1.000 44.75010 ? 9 PHE A CE2 1 +ATOM 125 C CZ . PHE A 1 9 ? 5.82200 -28.73900 20.84000 1.000 44.75010 ? 9 PHE A CZ 1 +ATOM 126 H H . PHE A 1 9 ? 6.73900 -22.41100 22.64000 1.000 54.05000 ? 9 PHE A H 1 +ATOM 127 H HA . PHE A 1 9 ? 6.97400 -24.70600 23.74600 1.000 50.32000 ? 9 PHE A HA 1 +ATOM 128 H HB2 . PHE A 1 9 ? 5.46200 -24.23700 21.99300 1.000 51.03000 ? 9 PHE A HB2 1 +ATOM 129 H HB3 . PHE A 1 9 ? 6.67800 -24.15900 20.97300 1.000 51.03000 ? 9 PHE A HB3 1 +ATOM 130 H HD1 . PHE A 1 9 ? 5.28400 -26.58500 23.18000 1.000 56.03000 ? 9 PHE A HD1 1 +ATOM 131 H HD2 . PHE A 1 9 ? 6.93300 -25.96700 19.59900 1.000 51.80000 ? 9 PHE A HD2 1 +ATOM 132 H HE1 . PHE A 1 9 ? 5.06800 -28.83400 22.69800 1.000 55.60000 ? 9 PHE A HE1 1 +ATOM 133 H HE2 . PHE A 1 9 ? 6.65000 -28.19200 19.08100 1.000 53.71000 ? 9 PHE A HE2 1 +ATOM 134 H HZ . PHE A 1 9 ? 5.70800 -29.63900 20.63300 1.000 53.71000 ? 9 PHE A HZ 1 +ATOM 135 N N . PRO A 1 10 ? 9.12400 -25.89400 23.33500 1.000 46.33977 ? 10 PRO A N 1 +ATOM 136 C CA . PRO A 1 10 ? 8.38900 -26.80300 24.23400 1.000 52.43260 ? 10 PRO A CA 1 +ATOM 137 C C . PRO A 1 10 ? 8.52400 -26.53000 25.73100 1.000 52.14046 ? 10 PRO A C 1 +ATOM 138 O O . PRO A 1 10 ? 8.51100 -27.46400 26.53400 1.000 55.93039 ? 10 PRO A O 1 +ATOM 139 C CB . PRO A 1 10 ? 9.02000 -28.16900 23.88300 1.000 51.44301 ? 10 PRO A CB 1 +ATOM 140 C CG . PRO A 1 10 ? 10.48500 -27.80500 23.67800 1.000 56.66469 ? 10 PRO A CG 1 +ATOM 141 C CD . PRO A 1 10 ? 10.46900 -26.42700 23.02300 1.000 51.99834 ? 10 PRO A CD 1 +ATOM 142 H HA . PRO A 1 10 ? 7.44900 -26.74800 24.00300 1.000 62.93000 ? 10 PRO A HA 1 +ATOM 143 H HB2 . PRO A 1 10 ? 8.90700 -28.79500 24.61600 1.000 61.74000 ? 10 PRO A HB2 1 +ATOM 144 H HB3 . PRO A 1 10 ? 8.62500 -28.53000 23.07500 1.000 61.74000 ? 10 PRO A HB3 1 +ATOM 145 H HG2 . PRO A 1 10 ? 10.94000 -27.77600 24.53400 1.000 68.01000 ? 10 PRO A HG2 1 +ATOM 146 H HG3 . PRO A 1 10 ? 10.90800 -28.45800 23.09900 1.000 68.01000 ? 10 PRO A HG3 1 +ATOM 147 H HD2 . PRO A 1 10 ? 11.15800 -25.86000 23.40300 1.000 62.41000 ? 10 PRO A HD2 1 +ATOM 148 H HD3 . PRO A 1 10 ? 10.59200 -26.50300 22.06400 1.000 62.41000 ? 10 PRO A HD3 1 +ATOM 149 N N . ASP A 1 11 ? 8.63200 -25.26800 26.14500 1.000 49.61121 ? 11 ASP A N 1 +ATOM 150 C CA . ASP A 1 11 ? 8.68700 -24.93200 27.56200 1.000 50.07442 ? 11 ASP A CA 1 +ATOM 151 C C . ASP A 1 11 ? 7.47300 -25.51200 28.29300 1.000 51.11139 ? 11 ASP A C 1 +ATOM 152 O O . ASP A 1 11 ? 6.32900 -25.21700 27.91400 1.000 46.97405 ? 11 ASP A O 1 +ATOM 153 C CB . ASP A 1 11 ? 8.71600 -23.41000 27.71900 1.000 46.78192 ? 11 ASP A CB 1 +ATOM 154 C CG . ASP A 1 11 ? 9.08900 -22.96200 29.11000 1.000 54.17492 ? 11 ASP A CG 1 +ATOM 155 O OD1 . ASP A 1 11 ? 8.60600 -23.56600 30.10100 1.000 51.69041 ? 11 ASP A OD1 1 +ATOM 156 O OD2 . ASP A 1 11 ? 9.88000 -22.00600 29.20800 1.000 53.93278 ? 11 ASP A OD2 1 +ATOM 157 H H . ASP A 1 11 ? 8.67600 -24.58700 25.62200 1.000 59.54000 ? 11 ASP A H 1 +ATOM 158 H HA . ASP A 1 11 ? 9.48700 -25.30900 27.96200 1.000 60.10000 ? 11 ASP A HA 1 +ATOM 159 H HB2 . ASP A 1 11 ? 9.36800 -23.04300 27.10200 1.000 56.15000 ? 11 ASP A HB2 1 +ATOM 160 H HB3 . ASP A 1 11 ? 7.83500 -23.05700 27.51900 1.000 56.15000 ? 11 ASP A HB3 1 +ATOM 161 N N . PRO A 1 12 ? 7.67600 -26.29000 29.36200 1.000 50.98506 ? 12 PRO A N 1 +ATOM 162 C CA . PRO A 1 12 ? 6.52600 -26.92000 30.03300 1.000 51.79568 ? 12 PRO A CA 1 +ATOM 163 C C . PRO A 1 12 ? 5.62100 -25.93900 30.75300 1.000 52.97740 ? 12 PRO A C 1 +ATOM 164 O O . PRO A 1 12 ? 4.48000 -26.29400 31.07600 1.000 51.69567 ? 12 PRO A O 1 +ATOM 165 C CB . PRO A 1 12 ? 7.18400 -27.88900 31.02800 1.000 53.25639 ? 12 PRO A CB 1 +ATOM 166 C CG . PRO A 1 12 ? 8.53000 -27.30600 31.29000 1.000 58.74915 ? 12 PRO A CG 1 +ATOM 167 C CD . PRO A 1 12 ? 8.95900 -26.68900 29.98300 1.000 55.74089 ? 12 PRO A CD 1 +ATOM 168 H HA . PRO A 1 12 ? 6.00500 -27.42200 29.38600 1.000 62.17000 ? 12 PRO A HA 1 +ATOM 169 H HB2 . PRO A 1 12 ? 6.66000 -27.93400 31.84200 1.000 63.92000 ? 12 PRO A HB2 1 +ATOM 170 H HB3 . PRO A 1 12 ? 7.25800 -28.77100 30.63200 1.000 63.92000 ? 12 PRO A HB3 1 +ATOM 171 H HG2 . PRO A 1 12 ? 8.46800 -26.63300 31.98500 1.000 70.51000 ? 12 PRO A HG2 1 +ATOM 172 H HG3 . PRO A 1 12 ? 9.14500 -28.00600 31.56000 1.000 70.51000 ? 12 PRO A HG3 1 +ATOM 173 H HD2 . PRO A 1 12 ? 9.52500 -25.91600 30.13500 1.000 66.90000 ? 12 PRO A HD2 1 +ATOM 174 H HD3 . PRO A 1 12 ? 9.42300 -27.33800 29.43100 1.000 66.90000 ? 12 PRO A HD3 1 +ATOM 175 N N . ARG A 1 13 ? 6.09100 -24.73400 31.03900 1.000 50.31393 ? 13 ARG A N 1 +ATOM 176 C CA . ARG A 1 13 ? 5.25100 -23.77000 31.73300 1.000 52.94056 ? 13 ARG A CA 1 +ATOM 177 C C . ARG A 1 13 ? 4.10100 -23.29700 30.85900 1.000 47.76099 ? 13 ARG A C 1 +ATOM 178 O O . ARG A 1 13 ? 3.10800 -22.79700 31.39000 1.000 50.06127 ? 13 ARG A O 1 +ATOM 179 C CB . ARG A 1 13 ? 6.09800 -22.59300 32.20900 1.000 48.84270 ? 13 ARG A CB 1 +ATOM 180 C CG . ARG A 1 13 ? 7.03000 -22.96700 33.38100 1.000 51.85095 ? 13 ARG A CG 1 +ATOM 181 C CD . ARG A 1 13 ? 8.00200 -21.82600 33.66200 1.000 55.64088 ? 13 ARG A CD 1 +ATOM 182 N NE . ARG A 1 13 ? 8.97200 -21.66300 32.58600 1.000 55.25399 ? 13 ARG A NE 1 +ATOM 183 C CZ . ARG A 1 13 ? 9.89600 -20.71300 32.55600 1.000 59.08340 ? 13 ARG A CZ 1 +ATOM 184 N NH1 . ARG A 1 13 ? 9.97300 -19.79200 33.50700 1.000 61.73898 ? 13 ARG A NH1 1 +ATOM 185 N NH2 . ARG A 1 13 ? 10.76500 -20.68900 31.55200 1.000 56.37781 ? 13 ARG A NH2 1 +ATOM 186 H H . ARG A 1 13 ? 6.88000 -24.45300 30.84500 1.000 60.39000 ? 13 ARG A H 1 +ATOM 187 H HA . ARG A 1 13 ? 4.86700 -24.18200 32.52300 1.000 63.54000 ? 13 ARG A HA 1 +ATOM 188 H HB2 . ARG A 1 13 ? 6.64900 -22.28200 31.47400 1.000 58.62000 ? 13 ARG A HB2 1 +ATOM 189 H HB3 . ARG A 1 13 ? 5.51100 -21.88100 32.50700 1.000 58.62000 ? 13 ARG A HB3 1 +ATOM 190 H HG2 . ARG A 1 13 ? 6.50200 -23.12900 34.17900 1.000 62.23000 ? 13 ARG A HG2 1 +ATOM 191 H HG3 . ARG A 1 13 ? 7.53900 -23.76000 33.15300 1.000 62.23000 ? 13 ARG A HG3 1 +ATOM 192 H HD2 . ARG A 1 13 ? 7.50500 -20.99700 33.75100 1.000 66.78000 ? 13 ARG A HD2 1 +ATOM 193 H HD3 . ARG A 1 13 ? 8.48600 -22.01200 34.48200 1.000 66.78000 ? 13 ARG A HD3 1 +ATOM 194 H HE . ARG A 1 13 ? 8.94200 -22.21800 31.93000 1.000 66.32000 ? 13 ARG A HE 1 +ATOM 195 H HH11 . ARG A 1 13 ? 9.41600 -19.80300 34.16200 1.000 74.10000 ? 13 ARG A HH11 1 +ATOM 196 H HH12 . ARG A 1 13 ? 10.58000 -19.18400 33.46900 1.000 74.10000 ? 13 ARG A HH12 1 +ATOM 197 H HH21 . ARG A 1 13 ? 10.72400 -21.28400 30.93200 1.000 67.67000 ? 13 ARG A HH21 1 +ATOM 198 H HH22 . ARG A 1 13 ? 11.37000 -20.07800 31.52100 1.000 67.67000 ? 13 ARG A HH22 1 +ATOM 199 N N . LEU A 1 14 ? 4.20100 -23.46200 29.53900 1.000 47.17408 ? 14 LEU A N 1 +ATOM 200 C CA . LEU A 1 14 ? 3.05900 -23.17600 28.68500 1.000 40.29167 ? 14 LEU A CA 1 +ATOM 201 C C . LEU A 1 14 ? 1.93500 -24.19200 28.84200 1.000 43.79999 ? 14 LEU A C 1 +ATOM 202 O O . LEU A 1 14 ? 0.85200 -23.98200 28.27200 1.000 45.36860 ? 14 LEU A O 1 +ATOM 203 C CB . LEU A 1 14 ? 3.49700 -23.13100 27.21200 1.000 41.06545 ? 14 LEU A CB 1 +ATOM 204 C CG . LEU A 1 14 ? 4.33600 -21.92000 26.81000 1.000 46.48189 ? 14 LEU A CG 1 +ATOM 205 C CD1 . LEU A 1 14 ? 5.13400 -22.23300 25.55100 1.000 41.69974 ? 14 LEU A CD1 1 +ATOM 206 C CD2 . LEU A 1 14 ? 3.45000 -20.69300 26.59000 1.000 44.81853 ? 14 LEU A CD2 1 +ATOM 207 H H . LEU A 1 14 ? 4.90500 -23.73200 29.12700 1.000 56.62000 ? 14 LEU A H 1 +ATOM 208 H HA . LEU A 1 14 ? 2.71200 -22.30300 28.92500 1.000 48.36000 ? 14 LEU A HA 1 +ATOM 209 H HB2 . LEU A 1 14 ? 4.02600 -23.92300 27.02800 1.000 49.29000 ? 14 LEU A HB2 1 +ATOM 210 H HB3 . LEU A 1 14 ? 2.70100 -23.12800 26.65800 1.000 49.29000 ? 14 LEU A HB3 1 +ATOM 211 H HG . LEU A 1 14 ? 4.95700 -21.71200 27.52600 1.000 55.79000 ? 14 LEU A HG 1 +ATOM 212 H HD11 . LEU A 1 14 ? 5.65300 -21.45200 25.30200 1.000 50.05000 ? 14 LEU A HD11 1 +ATOM 213 H HD12 . LEU A 1 14 ? 5.72700 -22.98000 25.73000 1.000 50.05000 ? 14 LEU A HD12 1 +ATOM 214 H HD13 . LEU A 1 14 ? 4.52000 -22.46300 24.83600 1.000 50.05000 ? 14 LEU A HD13 1 +ATOM 215 H HD21 . LEU A 1 14 ? 4.00800 -19.94400 26.32400 1.000 53.80000 ? 14 LEU A HD21 1 +ATOM 216 H HD22 . LEU A 1 14 ? 2.80600 -20.88900 25.89200 1.000 53.80000 ? 14 LEU A HD22 1 +ATOM 217 H HD23 . LEU A 1 14 ? 2.98900 -20.48400 27.41700 1.000 53.80000 ? 14 LEU A HD23 1 +ATOM 218 N N . ARG A 1 15 ? 2.16000 -25.29400 29.56900 1.000 43.13675 ? 15 ARG A N 1 +ATOM 219 C CA . ARG A 1 15 ? 1.09800 -26.27100 29.79800 1.000 44.58166 ? 15 ARG A CA 1 +ATOM 220 C C . ARG A 1 15 ? 0.33600 -26.00200 31.09400 1.000 50.90610 ? 15 ARG A C 1 +ATOM 221 O O . ARG A 1 15 ? -0.59400 -26.75100 31.41900 1.000 53.82751 ? 15 ARG A O 1 +ATOM 222 C CB . ARG A 1 15 ? 1.67000 -27.69100 29.82500 1.000 49.01377 ? 15 ARG A CB 1 +ATOM 223 C CG . ARG A 1 15 ? 2.41600 -28.06700 28.56500 1.000 49.77702 ? 15 ARG A CG 1 +ATOM 224 C CD . ARG A 1 15 ? 1.52300 -27.87100 27.35700 1.000 54.98291 ? 15 ARG A CD 1 +ATOM 225 N NE . ARG A 1 15 ? 2.08000 -28.46000 26.14500 1.000 55.04344 ? 15 ARG A NE 1 +ATOM 226 C CZ . ARG A 1 15 ? 1.42800 -28.53500 24.99600 1.000 52.04045 ? 15 ARG A CZ 1 +ATOM 227 N NH1 . ARG A 1 15 ? 0.19200 -28.08000 24.88000 1.000 46.07658 ? 15 ARG A NH1 1 +ATOM 228 N NH2 . ARG A 1 15 ? 2.02800 -29.09000 23.94500 1.000 48.49529 ? 15 ARG A NH2 1 +ATOM 229 H H . ARG A 1 15 ? 2.91300 -25.49200 29.93400 1.000 51.78000 ? 15 ARG A H 1 +ATOM 230 H HA . ARG A 1 15 ? 0.47100 -26.22700 29.05900 1.000 53.51000 ? 15 ARG A HA 1 +ATOM 231 H HB2 . ARG A 1 15 ? 2.28800 -27.76500 30.56900 1.000 58.83000 ? 15 ARG A HB2 1 +ATOM 232 H HB3 . ARG A 1 15 ? 0.94000 -28.32000 29.93600 1.000 58.83000 ? 15 ARG A HB3 1 +ATOM 233 H HG2 . ARG A 1 15 ? 3.19900 -27.50200 28.46700 1.000 59.74000 ? 15 ARG A HG2 1 +ATOM 234 H HG3 . ARG A 1 15 ? 2.68200 -28.99900 28.60700 1.000 59.74000 ? 15 ARG A HG3 1 +ATOM 235 H HD2 . ARG A 1 15 ? 0.66500 -28.29000 27.52700 1.000 65.99000 ? 15 ARG A HD2 1 +ATOM 236 H HD3 . ARG A 1 15 ? 1.40400 -26.92100 27.20200 1.000 65.99000 ? 15 ARG A HD3 1 +ATOM 237 H HE . ARG A 1 15 ? 2.87900 -28.77600 26.17900 1.000 66.06000 ? 15 ARG A HE 1 +ATOM 238 H HH11 . ARG A 1 15 ? -0.20200 -27.72700 25.55900 1.000 55.30000 ? 15 ARG A HH11 1 +ATOM 239 H HH12 . ARG A 1 15 ? -0.21800 -28.13600 24.12600 1.000 55.30000 ? 15 ARG A HH12 1 +ATOM 240 H HH21 . ARG A 1 15 ? 2.82900 -29.39400 24.01700 1.000 58.21000 ? 15 ARG A HH21 1 +ATOM 241 H HH22 . ARG A 1 15 ? 1.61400 -29.14400 23.19300 1.000 58.21000 ? 15 ARG A HH22 1 +ATOM 242 N N . THR A 1 16 ? 0.71500 -24.96700 31.83600 1.000 50.02179 ? 16 THR A N 1 +ATOM 243 C CA . THR A 1 16 ? 0.02700 -24.61400 33.06800 1.000 53.96963 ? 16 THR A CA 1 +ATOM 244 C C . THR A 1 16 ? -1.38200 -24.12900 32.76300 1.000 52.88002 ? 16 THR A C 1 +ATOM 245 O O . THR A 1 16 ? -1.60300 -23.34800 31.83300 1.000 47.90311 ? 16 THR A O 1 +ATOM 246 C CB . THR A 1 16 ? 0.78900 -23.49700 33.80600 1.000 54.84342 ? 16 THR A CB 1 +ATOM 247 O OG1 . THR A 1 16 ? 2.18100 -23.81000 33.82700 1.000 57.96484 ? 16 THR A OG1 1 +ATOM 248 C CG2 . THR A 1 16 ? 0.27000 -23.35100 35.24700 1.000 56.28570 ? 16 THR A CG2 1 +ATOM 249 H H . THR A 1 16 ? 1.37500 -24.44800 31.64500 1.000 60.04000 ? 16 THR A H 1 +ATOM 250 H HA . THR A 1 16 ? -0.01900 -25.39400 33.64200 1.000 64.78000 ? 16 THR A HA 1 +ATOM 251 H HB . THR A 1 16 ? 0.65500 -22.65200 33.34900 1.000 65.82000 ? 16 THR A HB 1 +ATOM 252 H HG1 . THR A 1 16 ? 2.46700 -23.90200 33.04300 1.000 69.57000 ? 16 THR A HG1 1 +ATOM 253 H HG21 . THR A 1 16 ? 0.83800 -22.74200 35.74400 1.000 67.56000 ? 16 THR A HG21 1 +ATOM 254 H HG22 . THR A 1 16 ? -0.63500 -23.00300 35.24000 1.000 67.56000 ? 16 THR A HG22 1 +ATOM 255 H HG23 . THR A 1 16 ? 0.27200 -24.21500 35.68900 1.000 67.56000 ? 16 THR A HG23 1 +ATOM 256 N N . ILE A 1 17 ? -2.33800 -24.58400 33.55800 1.000 51.46670 ? 17 ILE A N 1 +ATOM 257 C CA . ILE A 1 17 ? -3.71100 -24.10000 33.45400 1.000 52.75106 ? 17 ILE A CA 1 +ATOM 258 C C . ILE A 1 17 ? -3.83700 -22.84500 34.30700 1.000 53.33271 ? 17 ILE A C 1 +ATOM 259 O O . ILE A 1 17 ? -3.61300 -22.88900 35.52100 1.000 51.35616 ? 17 ILE A O 1 +ATOM 260 C CB . ILE A 1 17 ? -4.71500 -25.17600 33.90000 1.000 54.88026 ? 17 ILE A CB 1 +ATOM 261 C CG1 . ILE A 1 17 ? -4.67400 -26.33700 32.91900 1.000 56.49625 ? 17 ILE A CG1 1 +ATOM 262 C CG2 . ILE A 1 17 ? -6.10400 -24.57700 33.99400 1.000 57.20423 ? 17 ILE A CG2 1 +ATOM 263 C CD1 . ILE A 1 17 ? -5.44000 -27.53000 33.36100 1.000 61.58370 ? 17 ILE A CD1 1 +ATOM 264 H H . ILE A 1 17 ? -2.21900 -25.17700 34.16900 1.000 61.77000 ? 17 ILE A H 1 +ATOM 265 H HA . ILE A 1 17 ? -3.90400 -23.86600 32.53300 1.000 63.31000 ? 17 ILE A HA 1 +ATOM 266 H HB . ILE A 1 17 ? -4.47300 -25.51000 34.77800 1.000 65.87000 ? 17 ILE A HB 1 +ATOM 267 H HG12 . ILE A 1 17 ? -5.04900 -26.04300 32.07400 1.000 67.81000 ? 17 ILE A HG12 1 +ATOM 268 H HG13 . ILE A 1 17 ? -3.75100 -26.60800 32.79700 1.000 67.81000 ? 17 ILE A HG13 1 +ATOM 269 H HG21 . ILE A 1 17 ? -6.75800 -25.29300 33.98800 1.000 68.66000 ? 17 ILE A HG21 1 +ATOM 270 H HG22 . ILE A 1 17 ? -6.17400 -24.07200 34.81900 1.000 68.66000 ? 17 ILE A HG22 1 +ATOM 271 H HG23 . ILE A 1 17 ? -6.24700 -23.99100 33.23400 1.000 68.66000 ? 17 ILE A HG23 1 +ATOM 272 H HD11 . ILE A 1 17 ? -5.27500 -28.25900 32.74200 1.000 73.91000 ? 17 ILE A HD11 1 +ATOM 273 H HD12 . ILE A 1 17 ? -5.14900 -27.78000 34.25200 1.000 73.91000 ? 17 ILE A HD12 1 +ATOM 274 H HD13 . ILE A 1 17 ? -6.38600 -27.31300 33.37000 1.000 73.91000 ? 17 ILE A HD13 1 +ATOM 275 N N . ALA A 1 18 ? -4.21200 -21.73500 33.68600 1.000 47.26356 ? 18 ALA A N 1 +ATOM 276 C CA . ALA A 1 18 ? -4.26200 -20.46800 34.39500 1.000 52.68526 ? 18 ALA A CA 1 +ATOM 277 C C . ALA A 1 18 ? -5.42100 -20.44200 35.39200 1.000 53.86435 ? 18 ALA A C 1 +ATOM 278 O O . ALA A 1 18 ? -6.48100 -21.03900 35.16700 1.000 52.60631 ? 18 ALA A O 1 +ATOM 279 C CB . ALA A 1 18 ? -4.39300 -19.30500 33.39900 1.000 49.71122 ? 18 ALA A CB 1 +ATOM 280 H H . ALA A 1 18 ? -4.44100 -21.69000 32.85800 1.000 56.73000 ? 18 ALA A H 1 +ATOM 281 H HA . ALA A 1 18 ? -3.44000 -20.34700 34.89500 1.000 63.23000 ? 18 ALA A HA 1 +ATOM 282 H HB1 . ALA A 1 18 ? -4.37700 -18.46700 33.88800 1.000 59.66000 ? 18 ALA A HB1 1 +ATOM 283 H HB2 . ALA A 1 18 ? -3.65100 -19.33800 32.77600 1.000 59.66000 ? 18 ALA A HB2 1 +ATOM 284 H HB3 . ALA A 1 18 ? -5.23200 -19.39200 32.92000 1.000 59.66000 ? 18 ALA A HB3 1 +ATOM 285 N N . LYS A 1 19 ? -5.21200 -19.75400 36.48200 1.000 52.48261 ? 19 LYS A N 1 +ATOM 286 C CA . LYS A 1 19 ? -6.21300 -19.58700 37.52100 1.000 51.82727 ? 19 LYS A CA 1 +ATOM 287 C C . LYS A 1 19 ? -7.07500 -18.35800 37.24800 1.000 52.08256 ? 19 LYS A C 1 +ATOM 288 O O . LYS A 1 19 ? -6.59300 -17.34900 36.72400 1.000 54.64076 ? 19 LYS A O 1 +ATOM 289 C CB . LYS A 1 19 ? -5.53100 -19.44300 38.88800 1.000 58.64651 ? 19 LYS A CB 1 +ATOM 290 C CG . LYS A 1 19 ? -4.74000 -20.68800 39.33400 1.000 69.69783 ? 19 LYS A CG 1 +ATOM 291 C CD . LYS A 1 19 ? -4.04900 -20.47300 40.68700 1.000 89.92394 ? 19 LYS A CD 1 +ATOM 292 C CE . LYS A 1 19 ? -3.27500 -21.70700 41.15100 1.000 100.22254 ? 19 LYS A CE 1 +ATOM 293 N NZ . LYS A 1 19 ? -2.58500 -21.48400 42.46600 1.000 106.47592 ? 19 LYS A NZ 1 +ATOM 294 H H . LYS A 1 19 ? -4.47200 -19.35300 36.66100 1.000 62.99000 ? 19 LYS A H 1 +ATOM 295 H HA . LYS A 1 19 ? -6.79400 -20.36300 37.54600 1.000 62.20000 ? 19 LYS A HA 1 +ATOM 296 H HB2 . LYS A 1 19 ? -4.91000 -18.69900 38.84800 1.000 70.39000 ? 19 LYS A HB2 1 +ATOM 297 H HB3 . LYS A 1 19 ? -6.21200 -19.27200 39.55800 1.000 70.39000 ? 19 LYS A HB3 1 +ATOM 298 H HG2 . LYS A 1 19 ? -5.34700 -21.43900 39.42000 1.000 83.65000 ? 19 LYS A HG2 1 +ATOM 299 H HG3 . LYS A 1 19 ? -4.05800 -20.88700 38.67400 1.000 83.65000 ? 19 LYS A HG3 1 +ATOM 300 H HD2 . LYS A 1 19 ? -3.42200 -19.73700 40.61000 1.000 107.92000 ? 19 LYS A HD2 1 +ATOM 301 H HD3 . LYS A 1 19 ? -4.71900 -20.26900 41.35700 1.000 107.92000 ? 19 LYS A HD3 1 +ATOM 302 H HE2 . LYS A 1 19 ? -3.89100 -22.44800 41.25600 1.000 120.28000 ? 19 LYS A HE2 1 +ATOM 303 H HE3 . LYS A 1 19 ? -2.60000 -21.92700 40.49000 1.000 120.28000 ? 19 LYS A HE3 1 +ATOM 304 H HZ1 . LYS A 1 19 ? -2.14800 -22.22000 42.71000 1.000 127.78000 ? 19 LYS A HZ1 1 +ATOM 305 H HZ2 . LYS A 1 19 ? -2.00400 -20.81400 42.39600 1.000 127.78000 ? 19 LYS A HZ2 1 +ATOM 306 H HZ3 . LYS A 1 19 ? -3.18300 -21.28200 43.09400 1.000 127.78000 ? 19 LYS A HZ3 1 +ATOM 307 N N . PRO A 1 20 ? -8.36100 -18.39400 37.60500 1.000 60.32302 ? 20 PRO A N 1 +ATOM 308 C CA . PRO A 1 20 ? -9.20700 -17.20800 37.39700 1.000 59.29658 ? 20 PRO A CA 1 +ATOM 309 C C . PRO A 1 20 ? -8.73000 -16.02000 38.22000 1.000 60.74413 ? 20 PRO A C 1 +ATOM 310 O O . PRO A 1 20 ? -8.20200 -16.17100 39.32100 1.000 55.57245 ? 20 PRO A O 1 +ATOM 311 C CB . PRO A 1 20 ? -10.60200 -17.66300 37.85400 1.000 63.55236 ? 20 PRO A CB 1 +ATOM 312 C CG . PRO A 1 20 ? -10.53800 -19.16700 37.93000 1.000 65.67103 ? 20 PRO A CG 1 +ATOM 313 C CD . PRO A 1 20 ? -9.10700 -19.51100 38.22900 1.000 60.64938 ? 20 PRO A CD 1 +ATOM 314 H HA . PRO A 1 20 ? -9.22400 -16.97500 36.45600 1.000 71.17000 ? 20 PRO A HA 1 +ATOM 315 H HB2 . PRO A 1 20 ? -10.80200 -17.28300 38.72400 1.000 76.27000 ? 20 PRO A HB2 1 +ATOM 316 H HB3 . PRO A 1 20 ? -11.26700 -17.37900 37.20800 1.000 76.27000 ? 20 PRO A HB3 1 +ATOM 317 H HG2 . PRO A 1 20 ? -11.12100 -19.48200 38.63800 1.000 78.82000 ? 20 PRO A HG2 1 +ATOM 318 H HG3 . PRO A 1 20 ? -10.81100 -19.54700 37.08100 1.000 78.82000 ? 20 PRO A HG3 1 +ATOM 319 H HD2 . PRO A 1 20 ? -8.95000 -19.54000 39.18600 1.000 72.79000 ? 20 PRO A HD2 1 +ATOM 320 H HD3 . PRO A 1 20 ? -8.86300 -20.35900 37.82600 1.000 72.79000 ? 20 PRO A HD3 1 +ATOM 321 N N . VAL A 1 21 ? -8.91900 -14.83100 37.66000 1.000 58.14118 ? 21 VAL A N 1 +ATOM 322 C CA . VAL A 1 21 ? -8.72800 -13.58500 38.39700 1.000 60.31776 ? 21 VAL A CA 1 +ATOM 323 C C . VAL A 1 21 ? -9.93400 -13.37500 39.29200 1.000 62.54960 ? 21 VAL A C 1 +ATOM 324 O O . VAL A 1 21 ? -11.07900 -13.48400 38.84300 1.000 66.29479 ? 21 VAL A O 1 +ATOM 325 C CB . VAL A 1 21 ? -8.54700 -12.40100 37.42400 1.000 57.77272 ? 21 VAL A CB 1 +ATOM 326 C CG1 . VAL A 1 21 ? -8.37000 -11.09900 38.19300 1.000 63.49972 ? 21 VAL A CG1 1 +ATOM 327 C CG2 . VAL A 1 21 ? -7.37800 -12.65500 36.52100 1.000 58.82021 ? 21 VAL A CG2 1 +ATOM 328 H H . VAL A 1 21 ? -9.16100 -14.71600 36.84300 1.000 69.78000 ? 21 VAL A H 1 +ATOM 329 H HA . VAL A 1 21 ? -7.93200 -13.64800 38.94800 1.000 72.39000 ? 21 VAL A HA 1 +ATOM 330 H HB . VAL A 1 21 ? -9.34200 -12.31100 36.87600 1.000 69.34000 ? 21 VAL A HB 1 +ATOM 331 H HG11 . VAL A 1 21 ? -8.09100 -10.40300 37.57700 1.000 76.21000 ? 21 VAL A HG11 1 +ATOM 332 H HG12 . VAL A 1 21 ? -9.21500 -10.85700 38.60300 1.000 76.21000 ? 21 VAL A HG12 1 +ATOM 333 H HG13 . VAL A 1 21 ? -7.69400 -11.22500 38.87700 1.000 76.21000 ? 21 VAL A HG13 1 +ATOM 334 H HG21 . VAL A 1 21 ? -7.21900 -11.86600 35.98000 1.000 70.60000 ? 21 VAL A HG21 1 +ATOM 335 H HG22 . VAL A 1 21 ? -6.59600 -12.84800 37.06200 1.000 70.60000 ? 21 VAL A HG22 1 +ATOM 336 H HG23 . VAL A 1 21 ? -7.57900 -13.41300 35.95000 1.000 70.60000 ? 21 VAL A HG23 1 +ATOM 337 N N . GLU A 1 22 ? -9.68900 -13.09500 40.56500 1.000 64.84198 ? 22 GLU A N 1 +ATOM 338 C CA . GLU A 1 22 ? -10.77400 -12.85500 41.50400 1.000 75.19059 ? 22 GLU A CA 1 +ATOM 339 C C . GLU A 1 22 ? -11.02200 -11.37900 41.74700 1.000 75.87489 ? 22 GLU A C 1 +ATOM 340 O O . GLU A 1 22 ? -12.15100 -10.99900 42.06700 1.000 80.20962 ? 22 GLU A O 1 +ATOM 341 C CB . GLU A 1 22 ? -10.47700 -13.56400 42.82500 1.000 80.32016 ? 22 GLU A CB 1 +ATOM 342 C CG . GLU A 1 22 ? -10.44300 -15.08500 42.66400 1.000 91.11619 ? 22 GLU A CG 1 +ATOM 343 C CD . GLU A 1 22 ? -10.13000 -15.82100 43.94700 1.000 108.61039 ? 22 GLU A CD 1 +ATOM 344 O OE1 . GLU A 1 22 ? -9.76400 -15.16400 44.94300 1.000 116.23762 ? 22 GLU A OE1 1 +ATOM 345 O OE2 . GLU A 1 22 ? -10.25300 -17.06600 43.95600 1.000 111.97658 ? 22 GLU A OE2 1 +ATOM 346 H H . GLU A 1 22 ? -8.90200 -13.03800 40.90800 1.000 77.82000 ? 22 GLU A H 1 +ATOM 347 H HA . GLU A 1 22 ? -11.59900 -13.23000 41.15600 1.000 90.24000 ? 22 GLU A HA 1 +ATOM 348 H HB2 . GLU A 1 22 ? -9.61200 -13.27400 43.15400 1.000 96.40000 ? 22 GLU A HB2 1 +ATOM 349 H HB3 . GLU A 1 22 ? -11.16800 -13.34200 43.46800 1.000 96.40000 ? 22 GLU A HB3 1 +ATOM 350 H HG2 . GLU A 1 22 ? -11.31100 -15.38700 42.35400 1.000 109.35000 ? 22 GLU A HG2 1 +ATOM 351 H HG3 . GLU A 1 22 ? -9.76000 -15.31700 42.01600 1.000 109.35000 ? 22 GLU A HG3 1 +ATOM 352 N N . VAL A 1 23 ? -10.00500 -10.54100 41.56400 1.000 72.70082 ? 23 VAL A N 1 +ATOM 353 C CA . VAL A 1 23 ? -10.13000 -9.10000 41.74100 1.000 75.02215 ? 23 VAL A CA 1 +ATOM 354 C C . VAL A 1 23 ? -9.37700 -8.41500 40.60900 1.000 67.86603 ? 23 VAL A C 1 +ATOM 355 O O . VAL A 1 23 ? -8.20700 -8.72600 40.36700 1.000 66.55008 ? 23 VAL A O 1 +ATOM 356 C CB . VAL A 1 23 ? -9.58700 -8.64400 43.10900 1.000 72.10865 ? 23 VAL A CB 1 +ATOM 357 C CG1 . VAL A 1 23 ? -9.66400 -7.12900 43.23000 1.000 74.09836 ? 23 VAL A CG1 1 +ATOM 358 C CG2 . VAL A 1 23 ? -10.36600 -9.31700 44.22800 1.000 76.25914 ? 23 VAL A CG2 1 +ATOM 359 H H . VAL A 1 23 ? -9.21600 -10.79100 41.33200 1.000 87.25000 ? 23 VAL A H 1 +ATOM 360 H HA . VAL A 1 23 ? -11.06400 -8.84400 41.68500 1.000 90.04000 ? 23 VAL A HA 1 +ATOM 361 H HB . VAL A 1 23 ? -8.65600 -8.90400 43.19000 1.000 86.54000 ? 23 VAL A HB 1 +ATOM 362 H HG11 . VAL A 1 23 ? -9.55000 -6.88000 44.16000 1.000 88.93000 ? 23 VAL A HG11 1 +ATOM 363 H HG12 . VAL A 1 23 ? -8.96000 -6.73400 42.69300 1.000 88.93000 ? 23 VAL A HG12 1 +ATOM 364 H HG13 . VAL A 1 23 ? -10.53100 -6.83100 42.91100 1.000 88.93000 ? 23 VAL A HG13 1 +ATOM 365 H HG21 . VAL A 1 23 ? -10.02900 -9.00200 45.08100 1.000 91.52000 ? 23 VAL A HG21 1 +ATOM 366 H HG22 . VAL A 1 23 ? -11.30500 -9.08900 44.14000 1.000 91.52000 ? 23 VAL A HG22 1 +ATOM 367 H HG23 . VAL A 1 23 ? -10.25100 -10.27700 44.16000 1.000 91.52000 ? 23 VAL A HG23 1 +ATOM 368 N N . VAL A 1 24 ? -10.03800 -7.49200 39.91400 1.000 64.94989 ? 24 VAL A N 1 +ATOM 369 C CA . VAL A 1 24 ? -9.43700 -6.73200 38.83600 1.000 62.53381 ? 24 VAL A CA 1 +ATOM 370 C C . VAL A 1 24 ? -8.93600 -5.42500 39.44700 1.000 73.20351 ? 24 VAL A C 1 +ATOM 371 O O . VAL A 1 24 ? -9.63300 -4.40500 39.43200 1.000 79.56480 ? 24 VAL A O 1 +ATOM 372 C CB . VAL A 1 24 ? -10.40800 -6.50100 37.68100 1.000 68.89247 ? 24 VAL A CB 1 +ATOM 373 C CG1 . VAL A 1 24 ? -9.71200 -5.77400 36.51600 1.000 64.90252 ? 24 VAL A CG1 1 +ATOM 374 C CG2 . VAL A 1 24 ? -10.97200 -7.83800 37.20000 1.000 67.03962 ? 24 VAL A CG2 1 +ATOM 375 H H . VAL A 1 24 ? -10.86100 -7.28600 40.05600 1.000 77.95000 ? 24 VAL A H 1 +ATOM 376 H HA . VAL A 1 24 ? -8.67100 -7.22100 38.49600 1.000 75.05000 ? 24 VAL A HA 1 +ATOM 377 H HB . VAL A 1 24 ? -11.13800 -5.94300 37.99200 1.000 82.68000 ? 24 VAL A HB 1 +ATOM 378 H HG11 . VAL A 1 24 ? -10.32800 -5.71100 35.76900 1.000 77.90000 ? 24 VAL A HG11 1 +ATOM 379 H HG12 . VAL A 1 24 ? -9.45400 -4.88500 36.80700 1.000 77.90000 ? 24 VAL A HG12 1 +ATOM 380 H HG13 . VAL A 1 24 ? -8.92500 -6.27700 36.25400 1.000 77.90000 ? 24 VAL A HG13 1 +ATOM 381 H HG21 . VAL A 1 24 ? -11.46500 -7.69600 36.37800 1.000 80.46000 ? 24 VAL A HG21 1 +ATOM 382 H HG22 . VAL A 1 24 ? -10.23700 -8.45200 37.04300 1.000 80.46000 ? 24 VAL A HG22 1 +ATOM 383 H HG23 . VAL A 1 24 ? -11.56100 -8.19600 37.88200 1.000 80.46000 ? 24 VAL A HG23 1 +ATOM 384 N N . ASP A 1 25 ? -7.73000 -5.46200 40.00400 1.000 72.21919 ? 25 ASP A N 1 +ATOM 385 C CA . ASP A 1 25 ? -7.13900 -4.30900 40.65300 1.000 74.65369 ? 25 ASP A CA 1 +ATOM 386 C C . ASP A 1 25 ? -6.14200 -3.63000 39.71600 1.000 75.49589 ? 25 ASP A C 1 +ATOM 387 O O . ASP A 1 25 ? -5.97100 -4.01100 38.55600 1.000 69.29778 ? 25 ASP A O 1 +ATOM 388 C CB . ASP A 1 25 ? -6.47500 -4.72300 41.97300 1.000 80.57545 ? 25 ASP A CB 1 +ATOM 389 C CG . ASP A 1 25 ? -5.62300 -5.97400 41.83600 1.000 83.77847 ? 25 ASP A CG 1 +ATOM 390 O OD1 . ASP A 1 25 ? -4.89000 -6.09100 40.83600 1.000 68.49242 ? 25 ASP A OD1 1 +ATOM 391 O OD2 . ASP A 1 25 ? -5.68400 -6.83100 42.74800 1.000 88.48429 ? 25 ASP A OD2 1 +ATOM 392 H H . ASP A 1 25 ? -7.22800 -6.16000 40.01500 1.000 86.67000 ? 25 ASP A H 1 +ATOM 393 H HA . ASP A 1 25 ? -7.84000 -3.67100 40.85700 1.000 89.60000 ? 25 ASP A HA 1 +ATOM 394 H HB2 . ASP A 1 25 ? -5.90200 -4.00200 42.27800 1.000 96.70000 ? 25 ASP A HB2 1 +ATOM 395 H HB3 . ASP A 1 25 ? -7.16400 -4.90000 42.63200 1.000 96.70000 ? 25 ASP A HB3 1 +ATOM 396 N N . ASP A 1 26 ? -5.48000 -2.59200 40.23100 1.000 76.61708 ? 26 ASP A N 1 +ATOM 397 C CA . ASP A 1 26 ? -4.51300 -1.86100 39.42000 1.000 80.22278 ? 26 ASP A CA 1 +ATOM 398 C C . ASP A 1 26 ? -3.30600 -2.72200 39.07500 1.000 73.15088 ? 26 ASP A C 1 +ATOM 399 O O . ASP A 1 26 ? -2.66200 -2.49300 38.04400 1.000 70.24526 ? 26 ASP A O 1 +ATOM 400 C CB . ASP A 1 26 ? -4.06000 -0.59300 40.14900 1.000 86.70513 ? 26 ASP A CB 1 +ATOM 401 C CG . ASP A 1 26 ? -5.17100 0.42800 40.28600 1.000 102.94919 ? 26 ASP A CG 1 +ATOM 402 O OD1 . ASP A 1 26 ? -6.28500 0.16600 39.78500 1.000 101.24372 ? 26 ASP A OD1 1 +ATOM 403 O OD2 . ASP A 1 26 ? -4.92800 1.49400 40.89900 1.000 101.79115 ? 26 ASP A OD2 1 +ATOM 404 H H . ASP A 1 26 ? -5.57300 -2.29700 41.03400 1.000 91.95000 ? 26 ASP A H 1 +ATOM 405 H HA . ASP A 1 26 ? -4.94400 -1.59600 38.59300 1.000 96.28000 ? 26 ASP A HA 1 +ATOM 406 H HB2 . ASP A 1 26 ? -3.75700 -0.82900 41.03900 1.000 104.06000 ? 26 ASP A HB2 1 +ATOM 407 H HB3 . ASP A 1 26 ? -3.33500 -0.18300 39.65000 1.000 104.06000 ? 26 ASP A HB3 1 +ATOM 408 N N . ALA A 1 27 ? -2.97500 -3.69800 39.92500 1.000 66.90802 ? 27 ALA A N 1 +ATOM 409 C CA . ALA A 1 27 ? -1.92500 -4.64700 39.57900 1.000 70.76901 ? 27 ALA A CA 1 +ATOM 410 C C . ALA A 1 27 ? -2.32000 -5.50200 38.37600 1.000 66.68431 ? 27 ALA A C 1 +ATOM 411 O O . ALA A 1 27 ? -1.45400 -5.88900 37.58300 1.000 64.75776 ? 27 ALA A O 1 +ATOM 412 C CB . ALA A 1 27 ? -1.60300 -5.53500 40.77500 1.000 67.91341 ? 27 ALA A CB 1 +ATOM 413 H H . ALA A 1 27 ? -3.33900 -3.82700 40.69400 1.000 80.30000 ? 27 ALA A H 1 +ATOM 414 H HA . ALA A 1 27 ? -1.12200 -4.15300 39.35000 1.000 84.94000 ? 27 ALA A HA 1 +ATOM 415 H HB1 . ALA A 1 27 ? -0.89200 -6.14800 40.53100 1.000 81.51000 ? 27 ALA A HB1 1 +ATOM 416 H HB2 . ALA A 1 27 ? -1.31800 -4.97700 41.51600 1.000 81.51000 ? 27 ALA A HB2 1 +ATOM 417 H HB3 . ALA A 1 27 ? -2.39800 -6.03300 41.02300 1.000 81.51000 ? 27 ALA A HB3 1 +ATOM 418 N N . VAL A 1 28 ? -3.60700 -5.81500 38.23100 1.000 60.09405 ? 28 VAL A N 1 +ATOM 419 C CA . VAL A 1 28 ? -4.05300 -6.52000 37.03500 1.000 58.07802 ? 28 VAL A CA 1 +ATOM 420 C C . VAL A 1 28 ? -3.94600 -5.60500 35.82000 1.000 59.52029 ? 28 VAL A C 1 +ATOM 421 O O . VAL A 1 28 ? -3.45200 -6.01700 34.76100 1.000 54.94343 ? 28 VAL A O 1 +ATOM 422 C CB . VAL A 1 28 ? -5.48300 -7.05400 37.22800 1.000 54.35389 ? 28 VAL A CB 1 +ATOM 423 C CG1 . VAL A 1 28 ? -6.06100 -7.56000 35.91800 1.000 47.23198 ? 28 VAL A CG1 1 +ATOM 424 C CG2 . VAL A 1 28 ? -5.48700 -8.17100 38.26200 1.000 60.41251 ? 28 VAL A CG2 1 +ATOM 425 H H . VAL A 1 28 ? -4.22700 -5.63400 38.79900 1.000 72.12000 ? 28 VAL A H 1 +ATOM 426 H HA . VAL A 1 28 ? -3.47400 -7.28400 36.88900 1.000 69.71000 ? 28 VAL A HA 1 +ATOM 427 H HB . VAL A 1 28 ? -6.04300 -6.32600 37.54100 1.000 65.24000 ? 28 VAL A HB 1 +ATOM 428 H HG11 . VAL A 1 28 ? -6.83900 -8.10700 36.10700 1.000 56.69000 ? 28 VAL A HG11 1 +ATOM 429 H HG12 . VAL A 1 28 ? -6.31500 -6.80100 35.37000 1.000 56.69000 ? 28 VAL A HG12 1 +ATOM 430 H HG13 . VAL A 1 28 ? -5.38900 -8.08800 35.45900 1.000 56.69000 ? 28 VAL A HG13 1 +ATOM 431 H HG21 . VAL A 1 28 ? -6.40000 -8.46500 38.40600 1.000 72.50000 ? 28 VAL A HG21 1 +ATOM 432 H HG22 . VAL A 1 28 ? -4.95100 -8.90900 37.93100 1.000 72.50000 ? 28 VAL A HG22 1 +ATOM 433 H HG23 . VAL A 1 28 ? -5.11200 -7.83500 39.09100 1.000 72.50000 ? 28 VAL A HG23 1 +ATOM 434 N N . ARG A 1 29 ? -4.37800 -4.34600 35.96100 1.000 59.60451 ? 29 ARG A N 1 +ATOM 435 C CA . ARG A 1 29 ? -4.32100 -3.40600 34.84700 1.000 62.61803 ? 29 ARG A CA 1 +ATOM 436 C C . ARG A 1 29 ? -2.88900 -3.09400 34.44000 1.000 57.65428 ? 29 ARG A C 1 +ATOM 437 O O . ARG A 1 29 ? -2.62600 -2.83000 33.25900 1.000 53.52221 ? 29 ARG A O 1 +ATOM 438 C CB . ARG A 1 29 ? -5.05200 -2.11600 35.21300 1.000 70.26632 ? 29 ARG A CB 1 +ATOM 439 C CG . ARG A 1 29 ? -6.54500 -2.29900 35.38700 1.000 78.49099 ? 29 ARG A CG 1 +ATOM 440 C CD . ARG A 1 29 ? -7.23500 -1.01100 35.84200 1.000 88.81591 ? 29 ARG A CD 1 +ATOM 441 N NE . ARG A 1 29 ? -8.61400 -1.28000 36.22600 1.000 90.20292 ? 29 ARG A NE 1 +ATOM 442 C CZ . ARG A 1 29 ? -9.04000 -1.39500 37.47700 1.000 94.32710 ? 29 ARG A CZ 1 +ATOM 443 N NH1 . ARG A 1 29 ? -8.23600 -1.17300 38.50700 1.000 85.20232 ? 29 ARG A NH1 1 +ATOM 444 N NH2 . ARG A 1 29 ? -10.30600 -1.74000 37.69900 1.000 96.62211 ? 29 ARG A NH2 1 +ATOM 445 H H . ARG A 1 29 ? -4.70500 -4.01800 36.68600 1.000 71.54000 ? 29 ARG A H 1 +ATOM 446 H HA . ARG A 1 29 ? -4.76900 -3.80500 34.08500 1.000 75.15000 ? 29 ARG A HA 1 +ATOM 447 H HB2 . ARG A 1 29 ? -4.69400 -1.78000 36.04900 1.000 84.33000 ? 29 ARG A HB2 1 +ATOM 448 H HB3 . ARG A 1 29 ? -4.91300 -1.46600 34.50600 1.000 84.33000 ? 29 ARG A HB3 1 +ATOM 449 H HG2 . ARG A 1 29 ? -6.93500 -2.56700 34.54000 1.000 94.20000 ? 29 ARG A HG2 1 +ATOM 450 H HG3 . ARG A 1 29 ? -6.70700 -2.98100 36.05800 1.000 94.20000 ? 29 ARG A HG3 1 +ATOM 451 H HD2 . ARG A 1 29 ? -6.76600 -0.64400 36.60800 1.000 106.59000 ? 29 ARG A HD2 1 +ATOM 452 H HD3 . ARG A 1 29 ? -7.23600 -0.36900 35.11500 1.000 106.59000 ? 29 ARG A HD3 1 +ATOM 453 H HE . ARG A 1 29 ? -9.19400 -1.37100 35.59700 1.000 108.26000 ? 29 ARG A HE 1 +ATOM 454 H HH11 . ARG A 1 29 ? -7.41700 -0.94800 38.37300 1.000 102.25000 ? 29 ARG A HH11 1 +ATOM 455 H HH12 . ARG A 1 29 ? -8.53400 -1.25300 39.31000 1.000 102.25000 ? 29 ARG A HH12 1 +ATOM 456 H HH21 . ARG A 1 29 ? -10.83500 -1.88400 37.03700 1.000 115.96000 ? 29 ARG A HH21 1 +ATOM 457 H HH22 . ARG A 1 29 ? -10.59500 -1.81800 38.50600 1.000 115.96000 ? 29 ARG A HH22 1 +ATOM 458 N N . GLN A 1 30 ? -1.96000 -3.11200 35.39300 1.000 51.91675 ? 30 GLN A N 1 +ATOM 459 C CA . GLN A 1 30 ? -0.55700 -2.91400 35.06000 1.000 53.06689 ? 30 GLN A CA 1 +ATOM 460 C C . GLN A 1 30 ? -0.02300 -4.08300 34.24800 1.000 54.40916 ? 30 GLN A C 1 +ATOM 461 O O . GLN A 1 30 ? 0.74500 -3.88600 33.29200 1.000 52.19573 ? 30 GLN A O 1 +ATOM 462 C CB . GLN A 1 30 ? 0.26800 -2.74300 36.33600 1.000 57.12527 ? 30 GLN A CB 1 +ATOM 463 C CG . GLN A 1 30 ? 1.73600 -2.47200 36.06900 1.000 68.77404 ? 30 GLN A CG 1 +ATOM 464 C CD . GLN A 1 30 ? 1.93900 -1.24900 35.19400 1.000 77.89881 ? 30 GLN A CD 1 +ATOM 465 O OE1 . GLN A 1 30 ? 1.45000 -0.16400 35.50600 1.000 84.48118 ? 30 GLN A OE1 1 +ATOM 466 N NE2 . GLN A 1 30 ? 2.64600 -1.42400 34.07900 1.000 72.57449 ? 30 GLN A NE2 1 +ATOM 467 H H . GLN A 1 30 ? -2.11500 -3.23600 36.23000 1.000 62.31000 ? 30 GLN A H 1 +ATOM 468 H HA . GLN A 1 30 ? -0.47300 -2.10500 34.53300 1.000 63.69000 ? 30 GLN A HA 1 +ATOM 469 H HB2 . GLN A 1 30 ? -0.08600 -1.99300 36.84000 1.000 68.56000 ? 30 GLN A HB2 1 +ATOM 470 H HB3 . GLN A 1 30 ? 0.20500 -3.55500 36.86200 1.000 68.56000 ? 30 GLN A HB3 1 +ATOM 471 H HG2 . GLN A 1 30 ? 2.19100 -2.32100 36.91200 1.000 82.54000 ? 30 GLN A HG2 1 +ATOM 472 H HG3 . GLN A 1 30 ? 2.12300 -3.23700 35.61500 1.000 82.54000 ? 30 GLN A HG3 1 +ATOM 473 H HE21 . GLN A 1 30 ? 2.96100 -2.20100 33.88700 1.000 87.10000 ? 30 GLN A HE21 1 +ATOM 474 H HE22 . GLN A 1 30 ? 2.78800 -0.76000 33.55100 1.000 87.10000 ? 30 GLN A HE22 1 +ATOM 475 N N . LEU A 1 31 ? -0.42400 -5.30300 34.61700 1.000 44.43427 ? 31 LEU A N 1 +ATOM 476 C CA . LEU A 1 31 ? -0.06100 -6.48000 33.84300 1.000 44.86327 ? 31 LEU A CA 1 +ATOM 477 C C . LEU A 1 31 ? -0.65400 -6.40800 32.44200 1.000 50.45079 ? 31 LEU A C 1 +ATOM 478 O O . LEU A 1 31 ? 0.01700 -6.72100 31.44700 1.000 44.46323 ? 31 LEU A O 1 +ATOM 479 C CB . LEU A 1 31 ? -0.54900 -7.74600 34.55500 1.000 50.70345 ? 31 LEU A CB 1 +ATOM 480 C CG . LEU A 1 31 ? -0.45400 -9.03800 33.74700 1.000 49.90072 ? 31 LEU A CG 1 +ATOM 481 C CD1 . LEU A 1 31 ? 1.00800 -9.32800 33.43700 1.000 50.93242 ? 31 LEU A CD1 1 +ATOM 482 C CD2 . LEU A 1 31 ? -1.10300 -10.23300 34.46600 1.000 55.68562 ? 31 LEU A CD2 1 +ATOM 483 H H . LEU A 1 31 ? -0.90500 -5.47200 35.30900 1.000 53.33000 ? 31 LEU A H 1 +ATOM 484 H HA . LEU A 1 31 ? 0.90500 -6.52300 33.77000 1.000 53.85000 ? 31 LEU A HA 1 +ATOM 485 H HB2 . LEU A 1 31 ? -0.01800 -7.86700 35.35700 1.000 60.85000 ? 31 LEU A HB2 1 +ATOM 486 H HB3 . LEU A 1 31 ? -1.48200 -7.62100 34.79100 1.000 60.85000 ? 31 LEU A HB3 1 +ATOM 487 H HG . LEU A 1 31 ? -0.94700 -8.92200 32.92000 1.000 59.89000 ? 31 LEU A HG 1 +ATOM 488 H HD11 . LEU A 1 31 ? 1.06700 -10.15800 32.93800 1.000 61.13000 ? 31 LEU A HD11 1 +ATOM 489 H HD12 . LEU A 1 31 ? 1.36900 -8.59800 32.90900 1.000 61.13000 ? 31 LEU A HD12 1 +ATOM 490 H HD13 . LEU A 1 31 ? 1.49800 -9.40700 34.27000 1.000 61.13000 ? 31 LEU A HD13 1 +ATOM 491 H HD21 . LEU A 1 31 ? -1.11400 -10.99500 33.86600 1.000 66.83000 ? 31 LEU A HD21 1 +ATOM 492 H HD22 . LEU A 1 31 ? -0.58600 -10.44400 35.25900 1.000 66.83000 ? 31 LEU A HD22 1 +ATOM 493 H HD23 . LEU A 1 31 ? -2.01000 -9.99700 34.71700 1.000 66.83000 ? 31 LEU A HD23 1 +ATOM 494 N N . ILE A 1 32 ? -1.93000 -6.02500 32.35500 1.000 45.39755 ? 32 ILE A N 1 +ATOM 495 C CA . ILE A 1 32 ? -2.57100 -5.86000 31.05100 1.000 46.60559 ? 32 ILE A CA 1 +ATOM 496 C C . ILE A 1 32 ? -1.79700 -4.85400 30.20100 1.000 48.56635 ? 32 ILE A C 1 +ATOM 497 O O . ILE A 1 32 ? -1.50300 -5.10500 29.02000 1.000 44.98697 ? 32 ILE A O 1 +ATOM 498 C CB . ILE A 1 32 ? -4.04000 -5.44400 31.24100 1.000 42.89462 ? 32 ILE A CB 1 +ATOM 499 C CG1 . ILE A 1 32 ? -4.86100 -6.65700 31.73600 1.000 46.43188 ? 32 ILE A CG1 1 +ATOM 500 C CG2 . ILE A 1 32 ? -4.64400 -4.91600 29.96500 1.000 44.26847 ? 32 ILE A CG2 1 +ATOM 501 C CD1 . ILE A 1 32 ? -6.20100 -6.28600 32.33700 1.000 53.11689 ? 32 ILE A CD1 1 +ATOM 502 H H . ILE A 1 32 ? -2.44000 -5.85600 33.02700 1.000 54.49000 ? 32 ILE A H 1 +ATOM 503 H HA . ILE A 1 32 ? -2.55700 -6.70800 30.58100 1.000 55.94000 ? 32 ILE A HA 1 +ATOM 504 H HB . ILE A 1 32 ? -4.06100 -4.73200 31.89900 1.000 51.49000 ? 32 ILE A HB 1 +ATOM 505 H HG12 . ILE A 1 32 ? -5.02700 -7.24800 30.98500 1.000 55.73000 ? 32 ILE A HG12 1 +ATOM 506 H HG13 . ILE A 1 32 ? -4.35000 -7.12100 32.41700 1.000 55.73000 ? 32 ILE A HG13 1 +ATOM 507 H HG21 . ILE A 1 32 ? -5.60900 -4.89200 30.05800 1.000 53.13000 ? 32 ILE A HG21 1 +ATOM 508 H HG22 . ILE A 1 32 ? -4.30500 -4.02200 29.80100 1.000 53.13000 ? 32 ILE A HG22 1 +ATOM 509 H HG23 . ILE A 1 32 ? -4.39700 -5.50200 29.23200 1.000 53.13000 ? 32 ILE A HG23 1 +ATOM 510 H HD11 . ILE A 1 32 ? -6.63100 -7.08900 32.67000 1.000 63.75000 ? 32 ILE A HD11 1 +ATOM 511 H HD12 . ILE A 1 32 ? -6.05900 -5.66000 33.06400 1.000 63.75000 ? 32 ILE A HD12 1 +ATOM 512 H HD13 . ILE A 1 32 ? -6.75200 -5.87600 31.65100 1.000 63.75000 ? 32 ILE A HD13 1 +ATOM 513 N N . ASP A 1 33 ? -1.41200 -3.72400 30.79600 1.000 41.76553 ? 33 ASP A N 1 +ATOM 514 C CA . ASP A 1 33 ? -0.66800 -2.71700 30.03500 1.000 45.24490 ? 33 ASP A CA 1 +ATOM 515 C C . ASP A 1 33 ? 0.66600 -3.27000 29.53700 1.000 46.86351 ? 33 ASP A C 1 +ATOM 516 O O . ASP A 1 33 ? 1.08600 -2.97700 28.40900 1.000 43.41836 ? 33 ASP A O 1 +ATOM 517 C CB . ASP A 1 33 ? -0.44700 -1.46500 30.88000 1.000 49.97968 ? 33 ASP A CB 1 +ATOM 518 C CG . ASP A 1 33 ? -1.54100 -0.43000 30.68100 1.000 56.63837 ? 33 ASP A CG 1 +ATOM 519 O OD1 . ASP A 1 33 ? -2.16100 -0.41500 29.58600 1.000 52.20626 ? 33 ASP A OD1 1 +ATOM 520 O OD2 . ASP A 1 33 ? -1.76600 0.39800 31.59300 1.000 54.21176 ? 33 ASP A OD2 1 +ATOM 521 H H . ASP A 1 33 ? -1.56500 -3.51800 31.61700 1.000 50.13000 ? 33 ASP A H 1 +ATOM 522 H HA . ASP A 1 33 ? -1.19600 -2.46500 29.26200 1.000 54.31000 ? 33 ASP A HA 1 +ATOM 523 H HB2 . ASP A 1 33 ? -0.43400 -1.71400 31.81800 1.000 59.99000 ? 33 ASP A HB2 1 +ATOM 524 H HB3 . ASP A 1 33 ? 0.39900 -1.06100 30.63300 1.000 59.99000 ? 33 ASP A HB3 1 +ATOM 525 N N . ASP A 1 34 ? 1.36000 -4.06900 30.36500 1.000 44.66062 ? 34 ASP A N 1 +ATOM 526 C CA . ASP A 1 34 ? 2.59800 -4.67900 29.89300 1.000 43.55785 ? 34 ASP A CA 1 +ATOM 527 C C . ASP A 1 34 ? 2.31900 -5.73000 28.82100 1.000 42.12084 ? 34 ASP A C 1 +ATOM 528 O O . ASP A 1 34 ? 3.10600 -5.88000 27.88300 1.000 40.36800 ? 34 ASP A O 1 +ATOM 529 C CB . ASP A 1 34 ? 3.37400 -5.30400 31.04800 1.000 47.57413 ? 34 ASP A CB 1 +ATOM 530 C CG . ASP A 1 34 ? 3.85400 -4.26400 32.05800 1.000 56.81471 ? 34 ASP A CG 1 +ATOM 531 O OD1 . ASP A 1 34 ? 4.05900 -3.08500 31.68300 1.000 51.74305 ? 34 ASP A OD1 1 +ATOM 532 O OD2 . ASP A 1 34 ? 4.03600 -4.63600 33.23000 1.000 57.53848 ? 34 ASP A OD2 1 +ATOM 533 H H . ASP A 1 34 ? 1.13900 -4.26200 31.17400 1.000 53.60000 ? 34 ASP A H 1 +ATOM 534 H HA . ASP A 1 34 ? 3.15000 -3.98000 29.50900 1.000 52.28000 ? 34 ASP A HA 1 +ATOM 535 H HB2 . ASP A 1 34 ? 2.79900 -5.93200 31.51300 1.000 57.10000 ? 34 ASP A HB2 1 +ATOM 536 H HB3 . ASP A 1 34 ? 4.15200 -5.76300 30.69600 1.000 57.10000 ? 34 ASP A HB3 1 +ATOM 537 N N . MET A 1 35 ? 1.20600 -6.46800 28.94400 1.000 40.14692 ? 35 MET A N 1 +ATOM 538 C CA . MET A 1 35 ? 0.85900 -7.45200 27.92300 1.000 40.20745 ? 35 MET A CA 1 +ATOM 539 C C . MET A 1 35 ? 0.61300 -6.77800 26.58000 1.000 37.93613 ? 35 MET A C 1 +ATOM 540 O O . MET A 1 35 ? 1.04400 -7.28600 25.53800 1.000 38.60463 ? 35 MET A O 1 +ATOM 541 C CB . MET A 1 35 ? -0.36600 -8.26900 28.36400 1.000 39.94163 ? 35 MET A CB 1 +ATOM 542 C CG . MET A 1 35 ? -0.09200 -9.22400 29.49800 1.000 45.39228 ? 35 MET A CG 1 +ATOM 543 S SD . MET A 1 35 ? -1.55500 -10.11000 30.06700 1.000 44.67115 ? 35 MET A SD 1 +ATOM 544 C CE . MET A 1 35 ? -1.96700 -11.05600 28.61300 1.000 42.52878 ? 35 MET A CE 1 +ATOM 545 H H . MET A 1 35 ? 0.64900 -6.41700 29.59700 1.000 48.19000 ? 35 MET A H 1 +ATOM 546 H HA . MET A 1 35 ? 1.59700 -8.07400 27.82600 1.000 48.26000 ? 35 MET A HA 1 +ATOM 547 H HB2 . MET A 1 35 ? -1.06000 -7.65600 28.65500 1.000 47.94000 ? 35 MET A HB2 1 +ATOM 548 H HB3 . MET A 1 35 ? -0.68000 -8.79100 27.60800 1.000 47.94000 ? 35 MET A HB3 1 +ATOM 549 H HG2 . MET A 1 35 ? 0.55700 -9.88200 29.20300 1.000 54.48000 ? 35 MET A HG2 1 +ATOM 550 H HG3 . MET A 1 35 ? 0.26200 -8.72300 30.25000 1.000 54.48000 ? 35 MET A HG3 1 +ATOM 551 H HE1 . MET A 1 35 ? -2.71500 -11.63900 28.81600 1.000 51.04000 ? 35 MET A HE1 1 +ATOM 552 H HE2 . MET A 1 35 ? -2.20800 -10.44700 27.89700 1.000 51.04000 ? 35 MET A HE2 1 +ATOM 553 H HE3 . MET A 1 35 ? -1.19700 -11.58500 28.35200 1.000 51.04000 ? 35 MET A HE3 1 +ATOM 554 N N . PHE A 1 36 ? -0.04800 -5.61700 26.58100 1.000 38.21248 ? 36 PHE A N 1 +ATOM 555 C CA . PHE A 1 36 ? -0.28600 -4.89600 25.33300 1.000 40.92596 ? 36 PHE A CA 1 +ATOM 556 C C . PHE A 1 36 ? 1.02600 -4.41600 24.72000 1.000 42.98673 ? 36 PHE A C 1 +ATOM 557 O O . PHE A 1 36 ? 1.27900 -4.60700 23.52200 1.000 39.68371 ? 36 PHE A O 1 +ATOM 558 C CB . PHE A 1 36 ? -1.20600 -3.68400 25.56600 1.000 38.25459 ? 36 PHE A CB 1 +ATOM 559 C CG . PHE A 1 36 ? -2.67900 -4.01100 25.49900 1.000 42.58669 ? 36 PHE A CG 1 +ATOM 560 C CD1 . PHE A 1 36 ? -3.24700 -4.46400 24.32000 1.000 41.20494 ? 36 PHE A CD1 1 +ATOM 561 C CD2 . PHE A 1 36 ? -3.49000 -3.83600 26.60300 1.000 40.10481 ? 36 PHE A CD2 1 +ATOM 562 C CE1 . PHE A 1 36 ? -4.59600 -4.77200 24.25100 1.000 43.67366 ? 36 PHE A CE1 1 +ATOM 563 C CE2 . PHE A 1 36 ? -4.84400 -4.12100 26.54100 1.000 40.72857 ? 36 PHE A CE2 1 +ATOM 564 C CZ . PHE A 1 36 ? -5.39700 -4.59900 25.35900 1.000 41.82344 ? 36 PHE A CZ 1 +ATOM 565 H H . PHE A 1 36 ? -0.36300 -5.23100 27.28200 1.000 45.80000 ? 36 PHE A H 1 +ATOM 566 H HA . PHE A 1 36 ? -0.72700 -5.50500 24.72000 1.000 49.12000 ? 36 PHE A HA 1 +ATOM 567 H HB2 . PHE A 1 36 ? -1.02300 -3.31900 26.44600 1.000 45.85000 ? 36 PHE A HB2 1 +ATOM 568 H HB3 . PHE A 1 36 ? -1.02000 -3.01700 24.88600 1.000 45.85000 ? 36 PHE A HB3 1 +ATOM 569 H HD1 . PHE A 1 36 ? -2.71400 -4.56300 23.56400 1.000 49.46000 ? 36 PHE A HD1 1 +ATOM 570 H HD2 . PHE A 1 36 ? -3.12300 -3.52300 27.39800 1.000 48.14000 ? 36 PHE A HD2 1 +ATOM 571 H HE1 . PHE A 1 36 ? -4.96100 -5.09500 23.45800 1.000 52.42000 ? 36 PHE A HE1 1 +ATOM 572 H HE2 . PHE A 1 36 ? -5.38200 -3.99300 27.28800 1.000 48.89000 ? 36 PHE A HE2 1 +ATOM 573 H HZ . PHE A 1 36 ? -6.30400 -4.80100 25.31600 1.000 50.20000 ? 36 PHE A HZ 1 +ATOM 574 N N . GLU A 1 37 ? 1.87000 -3.77700 25.53100 1.000 39.53369 ? 37 GLU A N 1 +ATOM 575 C CA . GLU A 1 37 ? 3.17900 -3.35400 25.05000 1.000 44.93960 ? 37 GLU A CA 1 +ATOM 576 C C . GLU A 1 37 ? 3.94800 -4.51800 24.42700 1.000 41.27863 ? 37 GLU A C 1 +ATOM 577 O O . GLU A 1 37 ? 4.53000 -4.37600 23.34700 1.000 39.63107 ? 37 GLU A O 1 +ATOM 578 C CB . GLU A 1 37 ? 3.97700 -2.73700 26.20200 1.000 48.71374 ? 37 GLU A CB 1 +ATOM 579 C CG . GLU A 1 37 ? 5.09300 -1.83700 25.72800 1.000 56.80944 ? 37 GLU A CG 1 +ATOM 580 C CD . GLU A 1 37 ? 5.89100 -1.20500 26.86800 1.000 65.21835 ? 37 GLU A CD 1 +ATOM 581 O OE1 . GLU A 1 37 ? 5.35500 -1.05800 27.98600 1.000 55.71721 ? 37 GLU A OE1 1 +ATOM 582 O OE2 . GLU A 1 37 ? 7.06500 -0.85500 26.62900 1.000 54.55128 ? 37 GLU A OE2 1 +ATOM 583 H H . GLU A 1 37 ? 1.70900 -3.58000 26.35200 1.000 47.45000 ? 37 GLU A H 1 +ATOM 584 H HA . GLU A 1 37 ? 3.05700 -2.67800 24.36500 1.000 53.94000 ? 37 GLU A HA 1 +ATOM 585 H HB2 . GLU A 1 37 ? 3.37900 -2.20900 26.75200 1.000 58.47000 ? 37 GLU A HB2 1 +ATOM 586 H HB3 . GLU A 1 37 ? 4.37100 -3.45000 26.73000 1.000 58.47000 ? 37 GLU A HB3 1 +ATOM 587 H HG2 . GLU A 1 37 ? 5.70800 -2.35800 25.18800 1.000 68.18000 ? 37 GLU A HG2 1 +ATOM 588 H HG3 . GLU A 1 37 ? 4.71300 -1.11900 25.19800 1.000 68.18000 ? 37 GLU A HG3 1 +ATOM 589 N N . THR A 1 38 ? 3.98600 -5.66700 25.11700 1.000 39.65475 ? 38 THR A N 1 +ATOM 590 C CA . THR A 1 38 ? 4.67600 -6.84700 24.60000 1.000 41.40233 ? 38 THR A CA 1 +ATOM 591 C C . THR A 1 38 ? 4.06100 -7.29000 23.27900 1.000 41.66552 ? 38 THR A C 1 +ATOM 592 O O . THR A 1 38 ? 4.76600 -7.57600 22.30900 1.000 39.93637 ? 38 THR A O 1 +ATOM 593 C CB . THR A 1 38 ? 4.61000 -7.99100 25.60500 1.000 38.72043 ? 38 THR A CB 1 +ATOM 594 O OG1 . THR A 1 38 ? 5.09200 -7.54200 26.88100 1.000 45.51335 ? 38 THR A OG1 1 +ATOM 595 C CG2 . THR A 1 38 ? 5.45200 -9.18600 25.13800 1.000 41.76290 ? 38 THR A CG2 1 +ATOM 596 H H . THR A 1 38 ? 3.62000 -5.78600 25.88600 1.000 47.60000 ? 38 THR A H 1 +ATOM 597 H HA . THR A 1 38 ? 5.60900 -6.62000 24.46000 1.000 49.69000 ? 38 THR A HA 1 +ATOM 598 H HB . THR A 1 38 ? 3.68900 -8.28500 25.69000 1.000 46.48000 ? 38 THR A HB 1 +ATOM 599 H HG1 . THR A 1 38 ? 4.63500 -6.88900 27.14700 1.000 54.63000 ? 38 THR A HG1 1 +ATOM 600 H HG21 . THR A 1 38 ? 5.48200 -9.86300 25.83200 1.000 50.13000 ? 38 THR A HG21 1 +ATOM 601 H HG22 . THR A 1 38 ? 5.06300 -9.57300 24.33700 1.000 50.13000 ? 38 THR A HG22 1 +ATOM 602 H HG23 . THR A 1 38 ? 6.35700 -8.89800 24.94100 1.000 50.13000 ? 38 THR A HG23 1 +ATOM 603 N N . MET A 1 39 ? 2.72800 -7.34900 23.23700 1.000 38.92309 ? 39 MET A N 1 +ATOM 604 C CA . MET A 1 39 ? 2.01200 -7.76300 22.03500 1.000 36.94390 ? 39 MET A CA 1 +ATOM 605 C C . MET A 1 39 ? 2.29600 -6.82500 20.87000 1.000 40.47854 ? 39 MET A C 1 +ATOM 606 O O . MET A 1 39 ? 2.64600 -7.27100 19.76500 1.000 40.75752 ? 39 MET A O 1 +ATOM 607 C CB . MET A 1 39 ? 0.51700 -7.80200 22.36600 1.000 37.98350 ? 39 MET A CB 1 +ATOM 608 C CG . MET A 1 39 ? -0.37500 -8.32900 21.25000 1.000 37.94666 ? 39 MET A CG 1 +ATOM 609 S SD . MET A 1 39 ? -2.11800 -7.84300 21.48100 1.000 41.06545 ? 39 MET A SD 1 +ATOM 610 C CE . MET A 1 39 ? -2.15100 -6.16500 20.92700 1.000 38.55989 ? 39 MET A CE 1 +ATOM 611 H H . MET A 1 39 ? 2.21200 -7.15300 23.89700 1.000 46.72000 ? 39 MET A H 1 +ATOM 612 H HA . MET A 1 39 ? 2.29800 -8.65100 21.76900 1.000 44.34000 ? 39 MET A HA 1 +ATOM 613 H HB2 . MET A 1 39 ? 0.38800 -8.37500 23.13800 1.000 45.59000 ? 39 MET A HB2 1 +ATOM 614 H HB3 . MET A 1 39 ? 0.22400 -6.90000 22.57100 1.000 45.59000 ? 39 MET A HB3 1 +ATOM 615 H HG2 . MET A 1 39 ? -0.07000 -7.97100 20.40200 1.000 45.55000 ? 39 MET A HG2 1 +ATOM 616 H HG3 . MET A 1 39 ? -0.32900 -9.29800 21.23700 1.000 45.55000 ? 39 MET A HG3 1 +ATOM 617 H HE1 . MET A 1 39 ? -3.06300 -5.83700 20.96800 1.000 46.28000 ? 39 MET A HE1 1 +ATOM 618 H HE2 . MET A 1 39 ? -1.58100 -5.63100 21.50300 1.000 46.28000 ? 39 MET A HE2 1 +ATOM 619 H HE3 . MET A 1 39 ? -1.82600 -6.12700 20.01400 1.000 46.28000 ? 39 MET A HE3 1 +ATOM 620 N N . TYR A 1 40 ? 2.14000 -5.51500 21.08400 1.000 40.48643 ? 40 TYR A N 1 +ATOM 621 C CA . TYR A 1 40 ? 2.34600 -4.58600 19.97800 1.000 43.40257 ? 40 TYR A CA 1 +ATOM 622 C C . TYR A 1 40 ? 3.77900 -4.62500 19.46300 1.000 46.52926 ? 40 TYR A C 1 +ATOM 623 O O . TYR A 1 40 ? 4.01500 -4.38500 18.27000 1.000 40.90227 ? 40 TYR A O 1 +ATOM 624 C CB . TYR A 1 40 ? 2.01200 -3.16300 20.40800 1.000 43.28414 ? 40 TYR A CB 1 +ATOM 625 C CG . TYR A 1 40 ? 0.54800 -2.86900 20.58300 1.000 37.89928 ? 40 TYR A CG 1 +ATOM 626 C CD1 . TYR A 1 40 ? -0.38000 -3.13800 19.57200 1.000 36.46490 ? 40 TYR A CD1 1 +ATOM 627 C CD2 . TYR A 1 40 ? 0.09400 -2.27600 21.75500 1.000 41.52340 ? 40 TYR A CD2 1 +ATOM 628 C CE1 . TYR A 1 40 ? -1.71800 -2.83900 19.74400 1.000 39.74950 ? 40 TYR A CE1 1 +ATOM 629 C CE2 . TYR A 1 40 ? -1.24000 -1.97700 21.93600 1.000 44.67904 ? 40 TYR A CE2 1 +ATOM 630 C CZ . TYR A 1 40 ? -2.14200 -2.25900 20.94000 1.000 48.32685 ? 40 TYR A CZ 1 +ATOM 631 O OH . TYR A 1 40 ? -3.46000 -1.92100 21.14900 1.000 45.92393 ? 40 TYR A OH 1 +ATOM 632 H H . TYR A 1 40 ? 1.92200 -5.15500 21.83300 1.000 48.59000 ? 40 TYR A H 1 +ATOM 633 H HA . TYR A 1 40 ? 1.74800 -4.84400 19.25900 1.000 52.10000 ? 40 TYR A HA 1 +ATOM 634 H HB2 . TYR A 1 40 ? 2.44500 -2.99100 21.25900 1.000 51.95000 ? 40 TYR A HB2 1 +ATOM 635 H HB3 . TYR A 1 40 ? 2.35100 -2.55300 19.73400 1.000 51.95000 ? 40 TYR A HB3 1 +ATOM 636 H HD1 . TYR A 1 40 ? -0.09300 -3.52300 18.77500 1.000 43.70000 ? 40 TYR A HD1 1 +ATOM 637 H HD2 . TYR A 1 40 ? 0.70200 -2.07600 22.43000 1.000 49.84000 ? 40 TYR A HD2 1 +ATOM 638 H HE1 . TYR A 1 40 ? -2.33100 -3.02300 19.06900 1.000 47.71000 ? 40 TYR A HE1 1 +ATOM 639 H HE2 . TYR A 1 40 ? -1.52700 -1.58500 22.72900 1.000 53.63000 ? 40 TYR A HE2 1 +ATOM 640 H HH . TYR A 1 40 ? -3.90800 -2.06700 20.45300 1.000 55.12000 ? 40 TYR A HH 1 +ATOM 641 N N . GLU A 1 41 ? 4.74100 -4.90600 20.33900 1.000 41.33654 ? 41 GLU A N 1 +ATOM 642 C CA . GLU A 1 41 ? 6.14800 -4.90600 19.94000 1.000 53.54326 ? 41 GLU A CA 1 +ATOM 643 C C . GLU A 1 41 ? 6.57600 -6.20300 19.26100 1.000 48.46897 ? 41 GLU A C 1 +ATOM 644 O O . GLU A 1 41 ? 7.55400 -6.19900 18.51000 1.000 46.99248 ? 41 GLU A O 1 +ATOM 645 C CB . GLU A 1 41 ? 7.03400 -4.65900 21.16300 1.000 53.33271 ? 41 GLU A CB 1 +ATOM 646 C CG . GLU A 1 41 ? 8.48300 -4.31600 20.84300 1.000 75.93542 ? 41 GLU A CG 1 +ATOM 647 C CD . GLU A 1 41 ? 8.66100 -2.87200 20.39400 1.000 95.27984 ? 41 GLU A CD 1 +ATOM 648 O OE1 . GLU A 1 41 ? 7.73500 -2.05600 20.60500 1.000 85.41024 ? 41 GLU A OE1 1 +ATOM 649 O OE2 . GLU A 1 41 ? 9.72800 -2.55500 19.82500 1.000 111.30019 ? 41 GLU A OE2 1 +ATOM 650 H H . GLU A 1 41 ? 4.60700 -5.10100 21.16600 1.000 49.62000 ? 41 GLU A H 1 +ATOM 651 H HA . GLU A 1 41 ? 6.28700 -4.18200 19.30900 1.000 64.26000 ? 41 GLU A HA 1 +ATOM 652 H HB2 . GLU A 1 41 ? 6.66300 -3.91800 21.66800 1.000 64.01000 ? 41 GLU A HB2 1 +ATOM 653 H HB3 . GLU A 1 41 ? 7.03800 -5.46200 21.70700 1.000 64.01000 ? 41 GLU A HB3 1 +ATOM 654 H HG2 . GLU A 1 41 ? 9.02300 -4.45200 21.63700 1.000 91.13000 ? 41 GLU A HG2 1 +ATOM 655 H HG3 . GLU A 1 41 ? 8.79400 -4.89300 20.12800 1.000 91.13000 ? 41 GLU A HG3 1 +ATOM 656 N N . ALA A 1 42 ? 5.86900 -7.30000 19.49600 1.000 40.14955 ? 42 ALA A N 1 +ATOM 657 C CA . ALA A 1 42 ? 6.29500 -8.59700 18.97000 1.000 44.64219 ? 42 ALA A CA 1 +ATOM 658 C C . ALA A 1 42 ? 6.50000 -8.59500 17.45400 1.000 43.24992 ? 42 ALA A C 1 +ATOM 659 O O . ALA A 1 42 ? 7.57900 -9.00700 17.00300 1.000 42.38403 ? 42 ALA A O 1 +ATOM 660 C CB . ALA A 1 42 ? 5.27700 -9.67300 19.37600 1.000 42.00767 ? 42 ALA A CB 1 +ATOM 661 H H . ALA A 1 42 ? 5.14100 -7.32500 19.95300 1.000 48.19000 ? 42 ALA A H 1 +ATOM 662 H HA . ALA A 1 42 ? 7.14700 -8.81000 19.38200 1.000 53.58000 ? 42 ALA A HA 1 +ATOM 663 H HB1 . ALA A 1 42 ? 5.50600 -10.50700 18.93700 1.000 50.42000 ? 42 ALA A HB1 1 +ATOM 664 H HB2 . ALA A 1 42 ? 5.30600 -9.78700 20.33900 1.000 50.42000 ? 42 ALA A HB2 1 +ATOM 665 H HB3 . ALA A 1 42 ? 4.39100 -9.38800 19.10300 1.000 50.42000 ? 42 ALA A HB3 1 +ATOM 666 N N . PRO A 1 43 ? 5.53500 -8.20100 16.62000 1.000 38.93625 ? 43 PRO A N 1 +ATOM 667 C CA . PRO A 1 43 ? 4.14100 -7.86400 16.88500 1.000 38.93362 ? 43 PRO A CA 1 +ATOM 668 C C . PRO A 1 43 ? 3.20600 -9.06700 16.78700 1.000 38.70990 ? 43 PRO A C 1 +ATOM 669 O O . PRO A 1 43 ? 3.48300 -10.03200 16.07500 1.000 39.48368 ? 43 PRO A O 1 +ATOM 670 C CB . PRO A 1 43 ? 3.82000 -6.85300 15.76400 1.000 44.35532 ? 43 PRO A CB 1 +ATOM 671 C CG . PRO A 1 43 ? 4.56200 -7.48600 14.57800 1.000 42.57089 ? 43 PRO A CG 1 +ATOM 672 C CD . PRO A 1 43 ? 5.84100 -8.07600 15.17800 1.000 42.30770 ? 43 PRO A CD 1 +ATOM 673 H HA . PRO A 1 43 ? 4.07000 -7.45400 17.76100 1.000 46.73000 ? 43 PRO A HA 1 +ATOM 674 H HB2 . PRO A 1 43 ? 2.86400 -6.80200 15.60700 1.000 53.24000 ? 43 PRO A HB2 1 +ATOM 675 H HB3 . PRO A 1 43 ? 4.16800 -5.97400 15.98100 1.000 53.24000 ? 43 PRO A HB3 1 +ATOM 676 H HG2 . PRO A 1 43 ? 4.01500 -8.18000 14.17900 1.000 51.09000 ? 43 PRO A HG2 1 +ATOM 677 H HG3 . PRO A 1 43 ? 4.77000 -6.80700 13.91800 1.000 51.09000 ? 43 PRO A HG3 1 +ATOM 678 H HD2 . PRO A 1 43 ? 6.03200 -8.94500 14.79200 1.000 50.78000 ? 43 PRO A HD2 1 +ATOM 679 H HD3 . PRO A 1 43 ? 6.59200 -7.47800 15.03800 1.000 50.78000 ? 43 PRO A HD3 1 +ATOM 680 N N . GLY A 1 44 ? 2.09300 -9.00000 17.51900 1.000 33.90143 ? 44 GLY A N 1 +ATOM 681 C CA . GLY A 1 44 ? 1.02400 -9.96900 17.40700 1.000 39.01784 ? 44 GLY A CA 1 +ATOM 682 C C . GLY A 1 44 ? -0.30400 -9.25800 17.57600 1.000 37.55450 ? 44 GLY A C 1 +ATOM 683 O O . GLY A 1 44 ? -0.33900 -8.07000 17.88300 1.000 38.43882 ? 44 GLY A O 1 +ATOM 684 H H . GLY A 1 44 ? 1.93600 -8.38500 18.09900 1.000 40.69000 ? 44 GLY A H 1 +ATOM 685 H HA2 . GLY A 1 44 ? 1.05000 -10.39700 16.53600 1.000 46.83000 ? 44 GLY A HA2 1 +ATOM 686 H HA3 . GLY A 1 44 ? 1.11400 -10.64800 18.09400 1.000 46.83000 ? 44 GLY A HA3 1 +ATOM 687 N N . ILE A 1 45 ? -1.40300 -9.99700 17.36200 1.000 35.23580 ? 45 ILE A N 1 +ATOM 688 C CA . ILE A 1 45 ? -2.72100 -9.40300 17.52000 1.000 36.64387 ? 45 ILE A CA 1 +ATOM 689 C C . ILE A 1 45 ? -3.41700 -9.83500 18.79400 1.000 36.27277 ? 45 ILE A C 1 +ATOM 690 O O . ILE A 1 45 ? -4.52900 -9.36000 19.07700 1.000 38.93098 ? 45 ILE A O 1 +ATOM 691 C CB . ILE A 1 45 ? -3.62600 -9.70900 16.31100 1.000 36.67808 ? 45 ILE A CB 1 +ATOM 692 C CG1 . ILE A 1 45 ? -3.84200 -11.20000 16.14300 1.000 38.71517 ? 45 ILE A CG1 1 +ATOM 693 C CG2 . ILE A 1 45 ? -3.00100 -9.10300 15.07600 1.000 36.13328 ? 45 ILE A CG2 1 +ATOM 694 C CD1 . ILE A 1 45 ? -4.80700 -11.52500 15.02000 1.000 44.80537 ? 45 ILE A CD1 1 +ATOM 695 H H . ILE A 1 45 ? -1.40200 -10.82500 17.12900 1.000 42.29000 ? 45 ILE A H 1 +ATOM 696 H HA . ILE A 1 45 ? -2.59200 -8.44300 17.57000 1.000 43.98000 ? 45 ILE A HA 1 +ATOM 697 H HB . ILE A 1 45 ? -4.50100 -9.31700 16.45900 1.000 44.03000 ? 45 ILE A HB 1 +ATOM 698 H HG12 . ILE A 1 45 ? -2.99200 -11.62200 15.94100 1.000 46.47000 ? 45 ILE A HG12 1 +ATOM 699 H HG13 . ILE A 1 45 ? -4.20500 -11.56200 16.96600 1.000 46.47000 ? 45 ILE A HG13 1 +ATOM 700 H HG21 . ILE A 1 45 ? -3.64400 -9.12900 14.35000 1.000 43.37000 ? 45 ILE A HG21 1 +ATOM 701 H HG22 . ILE A 1 45 ? -2.75400 -8.18400 15.26500 1.000 43.37000 ? 45 ILE A HG22 1 +ATOM 702 H HG23 . ILE A 1 45 ? -2.21200 -9.61500 14.83700 1.000 43.37000 ? 45 ILE A HG23 1 +ATOM 703 H HD11 . ILE A 1 45 ? -5.00700 -12.47400 15.04000 1.000 53.78000 ? 45 ILE A HD11 1 +ATOM 704 H HD12 . ILE A 1 45 ? -5.62100 -11.01200 15.14600 1.000 53.78000 ? 45 ILE A HD12 1 +ATOM 705 H HD13 . ILE A 1 45 ? -4.39600 -11.29100 14.17300 1.000 53.78000 ? 45 ILE A HD13 1 +ATOM 706 N N . GLY A 1 46 ? -2.80300 -10.69900 19.57800 1.000 36.40436 ? 46 GLY A N 1 +ATOM 707 C CA . GLY A 1 46 ? -3.36500 -11.11200 20.85200 1.000 34.17778 ? 46 GLY A CA 1 +ATOM 708 C C . GLY A 1 46 ? -2.25900 -11.64700 21.71800 1.000 35.67796 ? 46 GLY A C 1 +ATOM 709 O O . GLY A 1 46 ? -1.15500 -11.89600 21.24600 1.000 38.13615 ? 46 GLY A O 1 +ATOM 710 H H . GLY A 1 46 ? -2.04800 -11.06700 19.39500 1.000 43.70000 ? 46 GLY A H 1 +ATOM 711 H HA2 . GLY A 1 46 ? -3.78200 -10.35700 21.29600 1.000 41.03000 ? 46 GLY A HA2 1 +ATOM 712 H HA3 . GLY A 1 46 ? -4.03000 -11.80500 20.71700 1.000 41.03000 ? 46 GLY A HA3 1 +ATOM 713 N N . LEU A 1 47 ? -2.55800 -11.80200 23.01100 1.000 38.54146 ? 47 LEU A N 1 +ATOM 714 C CA . LEU A 1 47 ? -1.59700 -12.39200 23.92900 1.000 36.14644 ? 47 LEU A CA 1 +ATOM 715 C C . LEU A 1 47 ? -2.35400 -12.88300 25.15800 1.000 42.66827 ? 47 LEU A C 1 +ATOM 716 O O . LEU A 1 47 ? -3.25400 -12.20000 25.64400 1.000 39.14943 ? 47 LEU A O 1 +ATOM 717 C CB . LEU A 1 47 ? -0.53500 -11.37800 24.34200 1.000 38.40460 ? 47 LEU A CB 1 +ATOM 718 C CG . LEU A 1 47 ? 0.72800 -11.93100 25.00700 1.000 35.36213 ? 47 LEU A CG 1 +ATOM 719 C CD1 . LEU A 1 47 ? 1.53300 -12.70600 23.98300 1.000 42.25243 ? 47 LEU A CD1 1 +ATOM 720 C CD2 . LEU A 1 47 ? 1.57000 -10.80200 25.63100 1.000 42.85777 ? 47 LEU A CD2 1 +ATOM 721 H H . LEU A 1 47 ? -3.30400 -11.57300 23.37200 1.000 46.26000 ? 47 LEU A H 1 +ATOM 722 H HA . LEU A 1 47 ? -1.15500 -13.14600 23.50600 1.000 43.39000 ? 47 LEU A HA 1 +ATOM 723 H HB2 . LEU A 1 47 ? -0.25100 -10.90200 23.54700 1.000 46.10000 ? 47 LEU A HB2 1 +ATOM 724 H HB3 . LEU A 1 47 ? -0.94000 -10.76100 24.97200 1.000 46.10000 ? 47 LEU A HB3 1 +ATOM 725 H HG . LEU A 1 47 ? 0.48000 -12.52800 25.73000 1.000 42.45000 ? 47 LEU A HG 1 +ATOM 726 H HD11 . LEU A 1 47 ? 2.38800 -12.94900 24.37100 1.000 50.71000 ? 47 LEU A HD11 1 +ATOM 727 H HD12 . LEU A 1 47 ? 1.04300 -13.50500 23.73500 1.000 50.71000 ? 47 LEU A HD12 1 +ATOM 728 H HD13 . LEU A 1 47 ? 1.67100 -12.14700 23.20200 1.000 50.71000 ? 47 LEU A HD13 1 +ATOM 729 H HD21 . LEU A 1 47 ? 2.36100 -11.18700 26.04000 1.000 51.44000 ? 47 LEU A HD21 1 +ATOM 730 H HD22 . LEU A 1 47 ? 1.82800 -10.17900 24.93400 1.000 51.44000 ? 47 LEU A HD22 1 +ATOM 731 H HD23 . LEU A 1 47 ? 1.03900 -10.34600 26.30200 1.000 51.44000 ? 47 LEU A HD23 1 +ATOM 732 N N . ALA A 1 48 ? -1.96600 -14.05400 25.64500 1.000 34.86207 ? 48 ALA A N 1 +ATOM 733 C CA . ALA A 1 48 ? -2.48100 -14.63400 26.88100 1.000 42.32350 ? 48 ALA A CA 1 +ATOM 734 C C . ALA A 1 48 ? -1.42200 -14.55300 27.97200 1.000 39.76793 ? 48 ALA A C 1 +ATOM 735 O O . ALA A 1 48 ? -0.22900 -14.67300 27.69700 1.000 40.00480 ? 48 ALA A O 1 +ATOM 736 C CB . ALA A 1 48 ? -2.88700 -16.09700 26.66300 1.000 40.86806 ? 48 ALA A CB 1 +ATOM 737 H H . ALA A 1 48 ? -1.37900 -14.55300 25.26300 1.000 41.85000 ? 48 ALA A H 1 +ATOM 738 H HA . ALA A 1 48 ? -3.26100 -14.13800 27.17500 1.000 50.80000 ? 48 ALA A HA 1 +ATOM 739 H HB1 . ALA A 1 48 ? -3.22500 -16.45900 27.49700 1.000 49.05000 ? 48 ALA A HB1 1 +ATOM 740 H HB2 . ALA A 1 48 ? -3.57700 -16.13500 25.98200 1.000 49.05000 ? 48 ALA A HB2 1 +ATOM 741 H HB3 . ALA A 1 48 ? -2.11000 -16.60100 26.37500 1.000 49.05000 ? 48 ALA A HB3 1 +ATOM 742 N N . ALA A 1 49 ? -1.85800 -14.31900 29.21600 1.000 39.42578 ? 49 ALA A N 1 +ATOM 743 C CA . ALA A 1 49 ? -0.89700 -14.15400 30.29800 1.000 43.18413 ? 49 ALA A CA 1 +ATOM 744 C C . ALA A 1 49 ? -0.00800 -15.38800 30.46300 1.000 45.74759 ? 49 ALA A C 1 +ATOM 745 O O . ALA A 1 49 ? 1.17000 -15.25800 30.83700 1.000 41.29179 ? 49 ALA A O 1 +ATOM 746 C CB . ALA A 1 49 ? -1.63400 -13.85700 31.60600 1.000 43.11306 ? 49 ALA A CB 1 +ATOM 747 H H . ALA A 1 49 ? -2.68300 -14.25500 29.44800 1.000 47.32000 ? 49 ALA A H 1 +ATOM 748 H HA . ALA A 1 49 ? -0.32400 -13.39900 30.09100 1.000 51.83000 ? 49 ALA A HA 1 +ATOM 749 H HB1 . ALA A 1 49 ? -0.98100 -13.70200 32.30700 1.000 51.74000 ? 49 ALA A HB1 1 +ATOM 750 H HB2 . ALA A 1 49 ? -2.18400 -13.06800 31.48600 1.000 51.74000 ? 49 ALA A HB2 1 +ATOM 751 H HB3 . ALA A 1 49 ? -2.19100 -14.61800 31.83400 1.000 51.74000 ? 49 ALA A HB3 1 +ATOM 752 N N . THR A 1 50 ? -0.55000 -16.57800 30.20400 1.000 39.60738 ? 50 THR A N 1 +ATOM 753 C CA . THR A 1 50 ? 0.24900 -17.79700 30.23700 1.000 38.82308 ? 50 THR A CA 1 +ATOM 754 C C . THR A 1 50 ? 1.53100 -17.63400 29.42100 1.000 42.29454 ? 50 THR A C 1 +ATOM 755 O O . THR A 1 50 ? 2.59400 -18.14200 29.80100 1.000 42.87356 ? 50 THR A O 1 +ATOM 756 C CB . THR A 1 50 ? -0.57400 -18.96800 29.67200 1.000 48.70584 ? 50 THR A CB 1 +ATOM 757 O OG1 . THR A 1 50 ? -1.80200 -19.06000 30.39100 1.000 47.09249 ? 50 THR A OG1 1 +ATOM 758 C CG2 . THR A 1 50 ? 0.17700 -20.28200 29.78100 1.000 42.08399 ? 50 THR A CG2 1 +ATOM 759 H H . THR A 1 50 ? -1.37700 -16.70500 30.00700 1.000 47.54000 ? 50 THR A H 1 +ATOM 760 H HA . THR A 1 50 ? 0.48600 -17.99300 31.15700 1.000 46.60000 ? 50 THR A HA 1 +ATOM 761 H HB . THR A 1 50 ? -0.74800 -18.81300 28.73100 1.000 58.46000 ? 50 THR A HB 1 +ATOM 762 H HG1 . THR A 1 50 ? -2.25800 -19.70200 30.09900 1.000 56.52000 ? 50 THR A HG1 1 +ATOM 763 H HG21 . THR A 1 50 ? -0.40100 -21.01700 29.52100 1.000 50.51000 ? 50 THR A HG21 1 +ATOM 764 H HG22 . THR A 1 50 ? 0.95300 -20.27000 29.19900 1.000 50.51000 ? 50 THR A HG22 1 +ATOM 765 H HG23 . THR A 1 50 ? 0.47100 -20.42100 30.69500 1.000 50.51000 ? 50 THR A HG23 1 +ATOM 766 N N . GLN A 1 51 ? 1.45100 -16.92600 28.29100 1.000 42.94725 ? 51 GLN A N 1 +ATOM 767 C CA . GLN A 1 51 ? 2.60300 -16.78500 27.41500 1.000 35.95694 ? 51 GLN A CA 1 +ATOM 768 C C . GLN A 1 51 ? 3.70200 -15.92200 28.01700 1.000 40.75752 ? 51 GLN A C 1 +ATOM 769 O O . GLN A 1 51 ? 4.84700 -16.00300 27.56100 1.000 43.56838 ? 51 GLN A O 1 +ATOM 770 C CB . GLN A 1 51 ? 2.17000 -16.19100 26.06600 1.000 37.59135 ? 51 GLN A CB 1 +ATOM 771 C CG . GLN A 1 51 ? 1.23000 -17.09300 25.27800 1.000 40.75489 ? 51 GLN A CG 1 +ATOM 772 C CD . GLN A 1 51 ? 0.78700 -16.45500 23.97300 1.000 43.92895 ? 51 GLN A CD 1 +ATOM 773 O OE1 . GLN A 1 51 ? -0.19100 -15.70500 23.92500 1.000 36.82020 ? 51 GLN A OE1 1 +ATOM 774 N NE2 . GLN A 1 51 ? 1.50500 -16.76600 22.90100 1.000 40.35747 ? 51 GLN A NE2 1 +ATOM 775 H H . GLN A 1 51 ? 0.74300 -16.52300 28.01400 1.000 51.55000 ? 51 GLN A H 1 +ATOM 776 H HA . GLN A 1 51 ? 2.97300 -17.66800 27.25900 1.000 43.16000 ? 51 GLN A HA 1 +ATOM 777 H HB2 . GLN A 1 51 ? 1.71100 -15.35200 26.22700 1.000 45.12000 ? 51 GLN A HB2 1 +ATOM 778 H HB3 . GLN A 1 51 ? 2.95900 -16.03800 25.52300 1.000 45.12000 ? 51 GLN A HB3 1 +ATOM 779 H HG2 . GLN A 1 51 ? 1.68600 -17.92300 25.06900 1.000 48.92000 ? 51 GLN A HG2 1 +ATOM 780 H HG3 . GLN A 1 51 ? 0.44000 -17.27200 25.81000 1.000 48.92000 ? 51 GLN A HG3 1 +ATOM 781 H HE21 . GLN A 1 51 ? 2.17600 -17.29900 22.97300 1.000 48.44000 ? 51 GLN A HE21 1 +ATOM 782 H HE22 . GLN A 1 51 ? 1.29900 -16.43400 22.13500 1.000 48.44000 ? 51 GLN A HE22 1 +ATOM 783 N N . VAL A 1 52 ? 3.38500 -15.08100 29.00100 1.000 40.83911 ? 52 VAL A N 1 +ATOM 784 C CA . VAL A 1 52 ? 4.39900 -14.25300 29.65300 1.000 42.79987 ? 52 VAL A CA 1 +ATOM 785 C C . VAL A 1 52 ? 4.61700 -14.78600 31.06600 1.000 43.21571 ? 52 VAL A C 1 +ATOM 786 O O . VAL A 1 52 ? 5.03300 -14.04900 31.97000 1.000 42.89725 ? 52 VAL A O 1 +ATOM 787 C CB . VAL A 1 52 ? 4.01200 -12.76200 29.65800 1.000 46.42662 ? 52 VAL A CB 1 +ATOM 788 C CG1 . VAL A 1 52 ? 4.02100 -12.24900 28.20800 1.000 41.92608 ? 52 VAL A CG1 1 +ATOM 789 C CG2 . VAL A 1 52 ? 2.65100 -12.51400 30.31400 1.000 43.23150 ? 52 VAL A CG2 1 +ATOM 790 H H . VAL A 1 52 ? 2.59000 -14.97200 29.30900 1.000 49.02000 ? 52 VAL A H 1 +ATOM 791 H HA . VAL A 1 52 ? 5.23200 -14.32400 29.16100 1.000 51.37000 ? 52 VAL A HA 1 +ATOM 792 H HB . VAL A 1 52 ? 4.65900 -12.27100 30.18900 1.000 55.72000 ? 52 VAL A HB 1 +ATOM 793 H HG11 . VAL A 1 52 ? 3.78400 -11.30900 28.20500 1.000 50.32000 ? 52 VAL A HG11 1 +ATOM 794 H HG12 . VAL A 1 52 ? 4.90800 -12.36800 27.83600 1.000 50.32000 ? 52 VAL A HG12 1 +ATOM 795 H HG13 . VAL A 1 52 ? 3.37500 -12.75500 27.69100 1.000 50.32000 ? 52 VAL A HG13 1 +ATOM 796 H HG21 . VAL A 1 52 ? 2.49200 -11.55800 30.36100 1.000 51.89000 ? 52 VAL A HG21 1 +ATOM 797 H HG22 . VAL A 1 52 ? 1.96100 -12.93800 29.78000 1.000 51.89000 ? 52 VAL A HG22 1 +ATOM 798 H HG23 . VAL A 1 52 ? 2.65700 -12.89300 31.20700 1.000 51.89000 ? 52 VAL A HG23 1 +ATOM 799 N N . ASN A 1 53 ? 4.35400 -16.07400 31.24300 1.000 46.95563 ? 53 ASN A N 1 +ATOM 800 C CA . ASN A 1 53 ? 4.61400 -16.80100 32.49000 1.000 45.07646 ? 53 ASN A CA 1 +ATOM 801 C C . ASN A 1 53 ? 3.81500 -16.25500 33.66200 1.000 46.19238 ? 53 ASN A C 1 +ATOM 802 O O . ASN A 1 53 ? 4.26200 -16.31600 34.81000 1.000 48.84007 ? 53 ASN A O 1 +ATOM 803 C CB . ASN A 1 53 ? 6.10300 -16.80400 32.82700 1.000 42.48667 ? 53 ASN A CB 1 +ATOM 804 C CG . ASN A 1 53 ? 6.47600 -17.93200 33.78600 1.000 57.09632 ? 53 ASN A CG 1 +ATOM 805 O OD1 . ASN A 1 53 ? 5.80000 -18.97300 33.84400 1.000 49.65595 ? 53 ASN A OD1 1 +ATOM 806 N ND2 . ASN A 1 53 ? 7.56200 -17.74300 34.52200 1.000 53.15637 ? 53 ASN A ND2 1 +ATOM 807 H H . ASN A 1 53 ? 4.01100 -16.57400 30.63300 1.000 56.36000 ? 53 ASN A H 1 +ATOM 808 H HA . ASN A 1 53 ? 4.32600 -17.71800 32.35500 1.000 54.10000 ? 53 ASN A HA 1 +ATOM 809 H HB2 . ASN A 1 53 ? 6.61400 -16.92000 32.01100 1.000 51.00000 ? 53 ASN A HB2 1 +ATOM 810 H HB3 . ASN A 1 53 ? 6.33600 -15.96100 33.24700 1.000 51.00000 ? 53 ASN A HB3 1 +ATOM 811 H HD21 . ASN A 1 53 ? 7.81600 -18.34900 35.07800 1.000 63.80000 ? 53 ASN A HD21 1 +ATOM 812 H HD22 . ASN A 1 53 ? 8.01400 -17.01500 34.44400 1.000 63.80000 ? 53 ASN A HD22 1 +ATOM 813 N N . VAL A 1 54 ? 2.63600 -15.70300 33.40100 1.000 46.46610 ? 54 VAL A N 1 +ATOM 814 C CA . VAL A 1 54 ? 1.72200 -15.27200 34.45700 1.000 51.40880 ? 54 VAL A CA 1 +ATOM 815 C C . VAL A 1 54 ? 0.46400 -16.11300 34.29100 1.000 51.46143 ? 54 VAL A C 1 +ATOM 816 O O . VAL A 1 54 ? -0.25600 -15.98300 33.29600 1.000 48.39001 ? 54 VAL A O 1 +ATOM 817 C CB . VAL A 1 54 ? 1.39800 -13.78000 34.39400 1.000 48.97956 ? 54 VAL A CB 1 +ATOM 818 C CG1 . VAL A 1 54 ? 0.35400 -13.44800 35.45500 1.000 54.23808 ? 54 VAL A CG1 1 +ATOM 819 C CG2 . VAL A 1 54 ? 2.64500 -12.93400 34.60800 1.000 51.26667 ? 54 VAL A CG2 1 +ATOM 820 H H . VAL A 1 54 ? 2.33700 -15.56500 32.60700 1.000 55.77000 ? 54 VAL A H 1 +ATOM 821 H HA . VAL A 1 54 ? 2.12000 -15.44500 35.32400 1.000 61.70000 ? 54 VAL A HA 1 +ATOM 822 H HB . VAL A 1 54 ? 1.04800 -13.56900 33.51400 1.000 58.79000 ? 54 VAL A HB 1 +ATOM 823 H HG11 . VAL A 1 54 ? 0.34200 -12.48800 35.59600 1.000 65.10000 ? 54 VAL A HG11 1 +ATOM 824 H HG12 . VAL A 1 54 ? -0.51600 -13.74800 35.14800 1.000 65.10000 ? 54 VAL A HG12 1 +ATOM 825 H HG13 . VAL A 1 54 ? 0.58800 -13.90000 36.28000 1.000 65.10000 ? 54 VAL A HG13 1 +ATOM 826 H HG21 . VAL A 1 54 ? 2.40200 -11.99600 34.56600 1.000 61.53000 ? 54 VAL A HG21 1 +ATOM 827 H HG22 . VAL A 1 54 ? 3.02000 -13.14000 35.47800 1.000 61.53000 ? 54 VAL A HG22 1 +ATOM 828 H HG23 . VAL A 1 54 ? 3.28900 -13.14000 33.91300 1.000 61.53000 ? 54 VAL A HG23 1 +ATOM 829 N N . HIS A 1 55 ? 0.20100 -16.99200 35.23800 1.000 47.95838 ? 55 HIS A N 1 +ATOM 830 C CA . HIS A 1 55 ? -0.78500 -18.05500 35.01700 1.000 50.81399 ? 55 HIS A CA 1 +ATOM 831 C C . HIS A 1 55 ? -2.12400 -17.67200 35.63400 1.000 55.55929 ? 55 HIS A C 1 +ATOM 832 O O . HIS A 1 55 ? -2.66800 -18.31700 36.52800 1.000 55.47770 ? 55 HIS A O 1 +ATOM 833 C CB . HIS A 1 55 ? -0.21300 -19.37000 35.52200 1.000 55.49876 ? 55 HIS A CB 1 +ATOM 834 C CG . HIS A 1 55 ? 1.08300 -19.69400 34.84900 1.000 51.61935 ? 55 HIS A CG 1 +ATOM 835 N ND1 . HIS A 1 55 ? 1.15000 -20.05000 33.51600 1.000 52.88266 ? 55 HIS A ND1 1 +ATOM 836 C CD2 . HIS A 1 55 ? 2.36400 -19.59900 35.27500 1.000 55.60140 ? 55 HIS A CD2 1 +ATOM 837 C CE1 . HIS A 1 55 ? 2.41500 -20.21500 33.16800 1.000 52.28785 ? 55 HIS A CE1 1 +ATOM 838 N NE2 . HIS A 1 55 ? 3.17300 -19.94900 34.21800 1.000 51.24562 ? 55 HIS A NE2 1 +ATOM 839 H H . HIS A 1 55 ? 0.57300 -17.00200 36.01400 1.000 57.56000 ? 55 HIS A H 1 +ATOM 840 H HA . HIS A 1 55 ? -0.96100 -18.17300 34.07000 1.000 60.99000 ? 55 HIS A HA 1 +ATOM 841 H HB2 . HIS A 1 55 ? -0.05400 -19.30500 36.47700 1.000 66.61000 ? 55 HIS A HB2 1 +ATOM 842 H HB3 . HIS A 1 55 ? -0.84100 -20.08600 35.33800 1.000 66.61000 ? 55 HIS A HB3 1 +ATOM 843 H HD2 . HIS A 1 55 ? 2.64500 -19.34300 36.12400 1.000 66.73000 ? 55 HIS A HD2 1 +ATOM 844 H HE1 . HIS A 1 55 ? 2.72000 -20.47400 32.32900 1.000 62.76000 ? 55 HIS A HE1 1 +ATOM 845 H HE2 . HIS A 1 55 ? 4.03200 -19.98900 34.23800 1.000 61.51000 ? 55 HIS A HE2 1 +ATOM 846 N N . LYS A 1 56 ? -2.63000 -16.55400 35.09900 1.000 51.49038 ? 56 LYS A N 1 +ATOM 847 C CA . LYS A 1 56 ? -3.94300 -16.00500 35.39600 1.000 50.93505 ? 56 LYS A CA 1 +ATOM 848 C C . LYS A 1 56 ? -4.72000 -15.88700 34.09300 1.000 51.71146 ? 56 LYS A C 1 +ATOM 849 O O . LYS A 1 56 ? -4.12700 -15.75200 33.01000 1.000 46.18185 ? 56 LYS A O 1 +ATOM 850 C CB . LYS A 1 56 ? -3.84300 -14.64300 36.06900 1.000 51.94044 ? 56 LYS A CB 1 +ATOM 851 C CG . LYS A 1 56 ? -2.98000 -14.62500 37.35000 1.000 56.64890 ? 56 LYS A CG 1 +ATOM 852 C CD . LYS A 1 56 ? -3.28300 -13.39000 38.21800 1.000 72.46395 ? 56 LYS A CD 1 +ATOM 853 C CE . LYS A 1 56 ? -2.14400 -13.05600 39.19400 1.000 75.81435 ? 56 LYS A CE 1 +ATOM 854 N NZ . LYS A 1 56 ? -2.38300 -11.76100 39.89200 1.000 77.03818 ? 56 LYS A NZ 1 +ATOM 855 H H . LYS A 1 56 ? -2.20000 -16.07400 34.52800 1.000 61.80000 ? 56 LYS A H 1 +ATOM 856 H HA . LYS A 1 56 ? -4.42400 -16.59000 36.00200 1.000 61.13000 ? 56 LYS A HA 1 +ATOM 857 H HB2 . LYS A 1 56 ? -3.45000 -14.01700 35.44100 1.000 62.34000 ? 56 LYS A HB2 1 +ATOM 858 H HB3 . LYS A 1 56 ? -4.73600 -14.35200 36.31300 1.000 62.34000 ? 56 LYS A HB3 1 +ATOM 859 H HG2 . LYS A 1 56 ? -3.16600 -15.41900 37.87400 1.000 67.99000 ? 56 LYS A HG2 1 +ATOM 860 H HG3 . LYS A 1 56 ? -2.04200 -14.60200 37.10400 1.000 67.99000 ? 56 LYS A HG3 1 +ATOM 861 H HD2 . LYS A 1 56 ? -3.41700 -12.62300 37.64000 1.000 86.97000 ? 56 LYS A HD2 1 +ATOM 862 H HD3 . LYS A 1 56 ? -4.08400 -13.55800 38.73800 1.000 86.97000 ? 56 LYS A HD3 1 +ATOM 863 H HE2 . LYS A 1 56 ? -2.08000 -13.75600 39.86300 1.000 90.99000 ? 56 LYS A HE2 1 +ATOM 864 H HE3 . LYS A 1 56 ? -1.31000 -12.98900 38.70400 1.000 90.99000 ? 56 LYS A HE3 1 +ATOM 865 H HZ1 . LYS A 1 56 ? -1.68900 -11.56400 40.41400 1.000 92.46000 ? 56 LYS A HZ1 1 +ATOM 866 H HZ2 . LYS A 1 56 ? -2.49000 -11.11000 39.29600 1.000 92.46000 ? 56 LYS A HZ2 1 +ATOM 867 H HZ3 . LYS A 1 56 ? -3.11500 -11.81700 40.39500 1.000 92.46000 ? 56 LYS A HZ3 1 +ATOM 868 N N . ARG A 1 57 ? -6.04900 -15.91900 34.19400 1.000 50.38236 ? 57 ARG A N 1 +ATOM 869 C CA . ARG A 1 57 ? -6.90300 -16.02200 32.99800 1.000 51.22719 ? 57 ARG A CA 1 +ATOM 870 C C . ARG A 1 57 ? -7.16700 -14.61900 32.45600 1.000 49.10852 ? 57 ARG A C 1 +ATOM 871 O O . ARG A 1 57 ? -8.19300 -13.98700 32.72900 1.000 46.79508 ? 57 ARG A O 1 +ATOM 872 C CB . ARG A 1 57 ? -8.18800 -16.77700 33.33000 1.000 49.51910 ? 57 ARG A CB 1 +ATOM 873 C CG . ARG A 1 57 ? -7.93200 -18.22800 33.76000 1.000 55.17504 ? 57 ARG A CG 1 +ATOM 874 C CD . ARG A 1 57 ? -9.21400 -19.07400 33.86900 1.000 52.63526 ? 57 ARG A CD 1 +ATOM 875 N NE . ARG A 1 57 ? -9.61600 -19.64400 32.58900 1.000 52.81686 ? 57 ARG A NE 1 +ATOM 876 C CZ . ARG A 1 57 ? -9.05800 -20.71600 32.03100 1.000 51.37721 ? 57 ARG A CZ 1 +ATOM 877 N NH1 . ARG A 1 57 ? -8.04700 -21.35000 32.60300 1.000 52.47734 ? 57 ARG A NH1 1 +ATOM 878 N NH2 . ARG A 1 57 ? -9.51900 -21.15900 30.86400 1.000 51.11666 ? 57 ARG A NH2 1 +ATOM 879 H H . ARG A 1 57 ? -6.48100 -15.88400 34.93600 1.000 60.47000 ? 57 ARG A H 1 +ATOM 880 H HA . ARG A 1 57 ? -6.43200 -16.51500 32.30800 1.000 61.49000 ? 57 ARG A HA 1 +ATOM 881 H HB2 . ARG A 1 57 ? -8.64200 -16.32400 34.05800 1.000 59.43000 ? 57 ARG A HB2 1 +ATOM 882 H HB3 . ARG A 1 57 ? -8.75700 -16.79400 32.54400 1.000 59.43000 ? 57 ARG A HB3 1 +ATOM 883 H HG2 . ARG A 1 57 ? -7.35300 -18.65100 33.10800 1.000 66.22000 ? 57 ARG A HG2 1 +ATOM 884 H HG3 . ARG A 1 57 ? -7.50500 -18.22600 34.63100 1.000 66.22000 ? 57 ARG A HG3 1 +ATOM 885 H HD2 . ARG A 1 57 ? -9.06100 -19.80500 34.48800 1.000 63.17000 ? 57 ARG A HD2 1 +ATOM 886 H HD3 . ARG A 1 57 ? -9.93800 -18.51400 34.18900 1.000 63.17000 ? 57 ARG A HD3 1 +ATOM 887 H HE . ARG A 1 57 ? -10.25800 -19.26100 32.16500 1.000 63.39000 ? 57 ARG A HE 1 +ATOM 888 H HH11 . ARG A 1 57 ? -7.73400 -21.07000 33.35400 1.000 62.98000 ? 57 ARG A HH11 1 +ATOM 889 H HH12 . ARG A 1 57 ? -7.70300 -22.04000 32.22400 1.000 62.98000 ? 57 ARG A HH12 1 +ATOM 890 H HH21 . ARG A 1 57 ? -10.17200 -20.75400 30.47700 1.000 61.35000 ? 57 ARG A HH21 1 +ATOM 891 H HH22 . ARG A 1 57 ? -9.16500 -21.85100 30.49600 1.000 61.35000 ? 57 ARG A HH22 1 +ATOM 892 N N . ILE A 1 58 ? -6.20500 -14.13600 31.66200 1.000 44.43691 ? 58 ILE A N 1 +ATOM 893 C CA . ILE A 1 58 ? -6.20400 -12.78100 31.12000 1.000 43.93685 ? 58 ILE A CA 1 +ATOM 894 C C . ILE A 1 58 ? -5.74300 -12.85700 29.67800 1.000 44.66325 ? 58 ILE A C 1 +ATOM 895 O O . ILE A 1 58 ? -4.70400 -13.46100 29.39000 1.000 44.53692 ? 58 ILE A O 1 +ATOM 896 C CB . ILE A 1 58 ? -5.27000 -11.84200 31.91500 1.000 44.90012 ? 58 ILE A CB 1 +ATOM 897 C CG1 . ILE A 1 58 ? -5.71900 -11.74300 33.37400 1.000 48.89007 ? 58 ILE A CG1 1 +ATOM 898 C CG2 . ILE A 1 58 ? -5.24400 -10.45100 31.31200 1.000 41.84712 ? 58 ILE A CG2 1 +ATOM 899 C CD1 . ILE A 1 58 ? -4.82900 -10.87500 34.23100 1.000 53.85119 ? 58 ILE A CD1 1 +ATOM 900 H H . ILE A 1 58 ? -5.51900 -14.59400 31.41700 1.000 53.34000 ? 58 ILE A H 1 +ATOM 901 H HA . ILE A 1 58 ? -7.10500 -12.42300 31.15200 1.000 52.74000 ? 58 ILE A HA 1 +ATOM 902 H HB . ILE A 1 58 ? -4.37900 -12.22300 31.87100 1.000 53.89000 ? 58 ILE A HB 1 +ATOM 903 H HG12 . ILE A 1 58 ? -6.61300 -11.36700 33.40000 1.000 58.68000 ? 58 ILE A HG12 1 +ATOM 904 H HG13 . ILE A 1 58 ? -5.72300 -12.63300 33.76000 1.000 58.68000 ? 58 ILE A HG13 1 +ATOM 905 H HG21 . ILE A 1 58 ? -4.66800 -9.88400 31.85000 1.000 50.23000 ? 58 ILE A HG21 1 +ATOM 906 H HG22 . ILE A 1 58 ? -4.90200 -10.50500 30.40600 1.000 50.23000 ? 58 ILE A HG22 1 +ATOM 907 H HG23 . ILE A 1 58 ? -6.14600 -10.09300 31.30500 1.000 50.23000 ? 58 ILE A HG23 1 +ATOM 908 H HD11 . ILE A 1 58 ? -5.03800 -11.03400 35.16500 1.000 64.63000 ? 58 ILE A HD11 1 +ATOM 909 H HD12 . ILE A 1 58 ? -3.90300 -11.10300 34.05600 1.000 64.63000 ? 58 ILE A HD12 1 +ATOM 910 H HD13 . ILE A 1 58 ? -4.98800 -9.94400 34.01000 1.000 64.63000 ? 58 ILE A HD13 1 +ATOM 911 N N . VAL A 1 59 ? -6.52400 -12.26100 28.78300 1.000 40.36010 ? 59 VAL A N 1 +ATOM 912 C CA . VAL A 1 59 ? -6.21000 -12.17900 27.36100 1.000 43.43416 ? 59 VAL A CA 1 +ATOM 913 C C . VAL A 1 59 ? -6.36400 -10.74400 26.89300 1.000 46.62664 ? 59 VAL A C 1 +ATOM 914 O O . VAL A 1 59 ? -7.31500 -10.05000 27.29000 1.000 42.83145 ? 59 VAL A O 1 +ATOM 915 C CB . VAL A 1 59 ? -7.13000 -13.10900 26.53800 1.000 47.51622 ? 59 VAL A CB 1 +ATOM 916 C CG1 . VAL A 1 59 ? -6.97900 -12.85100 25.03500 1.000 46.01604 ? 59 VAL A CG1 1 +ATOM 917 C CG2 . VAL A 1 59 ? -6.82800 -14.55500 26.87400 1.000 44.37637 ? 59 VAL A CG2 1 +ATOM 918 H H . VAL A 1 59 ? -7.27000 -11.88300 28.98400 1.000 48.44000 ? 59 VAL A H 1 +ATOM 919 H HA . VAL A 1 59 ? -5.28500 -12.43900 27.22500 1.000 52.13000 ? 59 VAL A HA 1 +ATOM 920 H HB . VAL A 1 59 ? -8.05500 -12.92400 26.76700 1.000 57.03000 ? 59 VAL A HB 1 +ATOM 921 H HG11 . VAL A 1 59 ? -7.34600 -13.60400 24.54600 1.000 55.23000 ? 59 VAL A HG11 1 +ATOM 922 H HG12 . VAL A 1 59 ? -7.46100 -12.04100 24.80300 1.000 55.23000 ? 59 VAL A HG12 1 +ATOM 923 H HG13 . VAL A 1 59 ? -6.03800 -12.74700 24.82500 1.000 55.23000 ? 59 VAL A HG13 1 +ATOM 924 H HG21 . VAL A 1 59 ? -7.47400 -15.12400 26.42800 1.000 53.27000 ? 59 VAL A HG21 1 +ATOM 925 H HG22 . VAL A 1 59 ? -5.93200 -14.76900 26.57000 1.000 53.27000 ? 59 VAL A HG22 1 +ATOM 926 H HG23 . VAL A 1 59 ? -6.88900 -14.67500 27.83500 1.000 53.27000 ? 59 VAL A HG23 1 +ATOM 927 N N . VAL A 1 60 ? -5.43200 -10.29500 26.03400 1.000 40.24693 ? 60 VAL A N 1 +ATOM 928 C CA . VAL A 1 60 ? -5.52600 -8.99000 25.41200 1.000 38.14931 ? 60 VAL A CA 1 +ATOM 929 C C . VAL A 1 60 ? -5.50100 -9.20000 23.90800 1.000 41.26811 ? 60 VAL A C 1 +ATOM 930 O O . VAL A 1 60 ? -5.02200 -10.22700 23.41300 1.000 35.82272 ? 60 VAL A O 1 +ATOM 931 C CB . VAL A 1 60 ? -4.40300 -8.02900 25.84200 1.000 38.16247 ? 60 VAL A CB 1 +ATOM 932 C CG1 . VAL A 1 60 ? -4.50000 -7.79300 27.35500 1.000 36.47543 ? 60 VAL A CG1 1 +ATOM 933 C CG2 . VAL A 1 60 ? -3.04900 -8.59200 25.46900 1.000 38.43619 ? 60 VAL A CG2 1 +ATOM 934 H H . VAL A 1 60 ? -4.73500 -10.74200 25.80300 1.000 48.31000 ? 60 VAL A H 1 +ATOM 935 H HA . VAL A 1 60 ? -6.36500 -8.57600 25.66600 1.000 45.79000 ? 60 VAL A HA 1 +ATOM 936 H HB . VAL A 1 60 ? -4.50000 -7.18000 25.38200 1.000 45.81000 ? 60 VAL A HB 1 +ATOM 937 H HG11 . VAL A 1 60 ? -3.79500 -7.18400 27.62600 1.000 43.71000 ? 60 VAL A HG11 1 +ATOM 938 H HG12 . VAL A 1 60 ? -5.36700 -7.40800 27.56000 1.000 43.71000 ? 60 VAL A HG12 1 +ATOM 939 H HG13 . VAL A 1 60 ? -4.39800 -8.64200 27.81400 1.000 43.71000 ? 60 VAL A HG13 1 +ATOM 940 H HG21 . VAL A 1 60 ? -2.35700 -8.02100 25.83900 1.000 46.13000 ? 60 VAL A HG21 1 +ATOM 941 H HG22 . VAL A 1 60 ? -2.96900 -9.48700 25.83300 1.000 46.13000 ? 60 VAL A HG22 1 +ATOM 942 H HG23 . VAL A 1 60 ? -2.97400 -8.62000 24.50300 1.000 46.13000 ? 60 VAL A HG23 1 +ATOM 943 N N . MET A 1 61 ? -5.98400 -8.19200 23.18500 1.000 39.35735 ? 61 MET A N 1 +ATOM 944 C CA . MET A 1 61 ? -6.15700 -8.30200 21.74600 1.000 39.66791 ? 61 MET A CA 1 +ATOM 945 C C . MET A 1 61 ? -6.28200 -6.91300 21.14700 1.000 37.16235 ? 61 MET A C 1 +ATOM 946 O O . MET A 1 61 ? -6.74900 -5.98100 21.81100 1.000 38.59673 ? 61 MET A O 1 +ATOM 947 C CB . MET A 1 61 ? -7.42700 -9.12900 21.44500 1.000 40.17324 ? 61 MET A CB 1 +ATOM 948 C CG . MET A 1 61 ? -7.32500 -10.15400 20.37100 1.000 54.23019 ? 61 MET A CG 1 +ATOM 949 S SD . MET A 1 61 ? -8.99700 -10.87700 20.16700 1.000 52.43787 ? 61 MET A SD 1 +ATOM 950 C CE . MET A 1 61 ? -9.03200 -12.10300 21.43900 1.000 44.03423 ? 61 MET A CE 1 +ATOM 951 H H . MET A 1 61 ? -6.21900 -7.43100 23.51000 1.000 47.24000 ? 61 MET A H 1 +ATOM 952 H HA . MET A 1 61 ? -5.38400 -8.73300 21.34800 1.000 47.62000 ? 61 MET A HA 1 +ATOM 953 H HB2 . MET A 1 61 ? -7.68000 -9.59500 22.25700 1.000 48.22000 ? 61 MET A HB2 1 +ATOM 954 H HB3 . MET A 1 61 ? -8.12900 -8.51400 21.18300 1.000 48.22000 ? 61 MET A HB3 1 +ATOM 955 H HG2 . MET A 1 61 ? -7.04500 -9.74500 19.53800 1.000 65.09000 ? 61 MET A HG2 1 +ATOM 956 H HG3 . MET A 1 61 ? -6.69900 -10.85000 20.62600 1.000 65.09000 ? 61 MET A HG3 1 +ATOM 957 H HE1 . MET A 1 61 ? -9.83900 -12.63400 21.34400 1.000 52.85000 ? 61 MET A HE1 1 +ATOM 958 H HE2 . MET A 1 61 ? -8.25100 -12.67100 21.35300 1.000 52.85000 ? 61 MET A HE2 1 +ATOM 959 H HE3 . MET A 1 61 ? -9.02700 -11.66200 22.30300 1.000 52.85000 ? 61 MET A HE3 1 +ATOM 960 N N . ASP A 1 62 ? -5.87200 -6.77800 19.88300 1.000 33.21977 ? 62 ASP A N 1 +ATOM 961 C CA . ASP A 1 62 ? -6.19600 -5.57900 19.12000 1.000 34.54098 ? 62 ASP A CA 1 +ATOM 962 C C . ASP A 1 62 ? -6.28900 -5.98400 17.65500 1.000 38.79939 ? 62 ASP A C 1 +ATOM 963 O O . ASP A 1 62 ? -5.26400 -6.32300 17.04900 1.000 37.51502 ? 62 ASP A O 1 +ATOM 964 C CB . ASP A 1 62 ? -5.15500 -4.46000 19.30700 1.000 38.44671 ? 62 ASP A CB 1 +ATOM 965 C CG . ASP A 1 62 ? -5.63100 -3.11900 18.76100 1.000 42.30244 ? 62 ASP A CG 1 +ATOM 966 O OD1 . ASP A 1 62 ? -6.53400 -3.12000 17.90300 1.000 41.05492 ? 62 ASP A OD1 1 +ATOM 967 O OD2 . ASP A 1 62 ? -5.11400 -2.05900 19.20700 1.000 36.95180 ? 62 ASP A OD2 1 +ATOM 968 H H . ASP A 1 62 ? -5.40900 -7.36200 19.45300 1.000 39.88000 ? 62 ASP A H 1 +ATOM 969 H HA . ASP A 1 62 ? -7.05300 -5.23900 19.42300 1.000 41.46000 ? 62 ASP A HA 1 +ATOM 970 H HB2 . ASP A 1 62 ? -4.97400 -4.35200 20.25400 1.000 46.15000 ? 62 ASP A HB2 1 +ATOM 971 H HB3 . ASP A 1 62 ? -4.34100 -4.70400 18.84000 1.000 46.15000 ? 62 ASP A HB3 1 +ATOM 972 N N . LEU A 1 63 ? -7.50900 -5.97900 17.10200 1.000 37.41501 ? 63 LEU A N 1 +ATOM 973 C CA . LEU A 1 63 ? -7.73400 -6.35000 15.70800 1.000 36.61755 ? 63 LEU A CA 1 +ATOM 974 C C . LEU A 1 63 ? -8.00100 -5.13100 14.82000 1.000 45.02908 ? 63 LEU A C 1 +ATOM 975 O O . LEU A 1 63 ? -8.51900 -5.27900 13.70900 1.000 44.12898 ? 63 LEU A O 1 +ATOM 976 C CB . LEU A 1 63 ? -8.89300 -7.34400 15.61400 1.000 39.05468 ? 63 LEU A CB 1 +ATOM 977 C CG . LEU A 1 63 ? -8.85600 -8.55100 16.54100 1.000 43.69471 ? 63 LEU A CG 1 +ATOM 978 C CD1 . LEU A 1 63 ? -10.04600 -9.48200 16.26300 1.000 52.22995 ? 63 LEU A CD1 1 +ATOM 979 C CD2 . LEU A 1 63 ? -7.57900 -9.32300 16.42100 1.000 46.66349 ? 63 LEU A CD2 1 +ATOM 980 H H . LEU A 1 63 ? -8.22700 -5.76200 17.52300 1.000 44.91000 ? 63 LEU A H 1 +ATOM 981 H HA . LEU A 1 63 ? -6.93700 -6.78500 15.36900 1.000 43.88000 ? 63 LEU A HA 1 +ATOM 982 H HB2 . LEU A 1 63 ? -9.71300 -6.86400 15.81000 1.000 46.88000 ? 63 LEU A HB2 1 +ATOM 983 H HB3 . LEU A 1 63 ? -8.91800 -7.68600 14.70700 1.000 46.88000 ? 63 LEU A HB3 1 +ATOM 984 H HG . LEU A 1 63 ? -8.91200 -8.21700 17.45000 1.000 52.45000 ? 63 LEU A HG 1 +ATOM 985 H HD11 . LEU A 1 63 ? -10.00500 -10.23700 16.87200 1.000 62.69000 ? 63 LEU A HD11 1 +ATOM 986 H HD12 . LEU A 1 63 ? -10.87100 -8.99100 16.40000 1.000 62.69000 ? 63 LEU A HD12 1 +ATOM 987 H HD13 . LEU A 1 63 ? -9.99500 -9.79500 15.34600 1.000 62.69000 ? 63 LEU A HD13 1 +ATOM 988 H HD21 . LEU A 1 63 ? -7.62600 -10.10300 16.99600 1.000 56.01000 ? 63 LEU A HD21 1 +ATOM 989 H HD22 . LEU A 1 63 ? -7.46200 -9.59800 15.49800 1.000 56.01000 ? 63 LEU A HD22 1 +ATOM 990 H HD23 . LEU A 1 63 ? -6.84000 -8.75600 16.69300 1.000 56.01000 ? 63 LEU A HD23 1 +ATOM 991 N N . SER A 1 64 ? -7.65000 -3.95000 15.28500 1.000 40.49170 ? 64 SER A N 1 +ATOM 992 C CA . SER A 1 64 ? -7.78700 -2.72300 14.52300 1.000 48.17946 ? 64 SER A CA 1 +ATOM 993 C C . SER A 1 64 ? -6.51600 -2.44700 13.73100 1.000 46.42136 ? 64 SER A C 1 +ATOM 994 O O . SER A 1 64 ? -5.41300 -2.77400 14.15200 1.000 45.02908 ? 64 SER A O 1 +ATOM 995 C CB . SER A 1 64 ? -8.08700 -1.54200 15.45200 1.000 46.21607 ? 64 SER A CB 1 +ATOM 996 O OG . SER A 1 64 ? -6.95000 -1.18200 16.21900 1.000 45.90287 ? 64 SER A OG 1 +ATOM 997 H H . SER A 1 64 ? -7.31800 -3.82600 16.06800 1.000 48.60000 ? 64 SER A H 1 +ATOM 998 H HA . SER A 1 64 ? -8.52300 -2.81100 13.89800 1.000 57.83000 ? 64 SER A HA 1 +ATOM 999 H HB2 . SER A 1 64 ? -8.35600 -0.78100 14.91400 1.000 55.47000 ? 64 SER A HB2 1 +ATOM 1000 H HB3 . SER A 1 64 ? -8.80500 -1.79200 16.05400 1.000 55.47000 ? 64 SER A HB3 1 +ATOM 1001 H HG . SER A 1 64 ? -6.65000 -1.85500 16.62200 1.000 55.09000 ? 64 SER A HG 1 +ATOM 1002 N N . GLU A 1 65 ? -6.68400 -1.83800 12.56300 1.000 47.10565 ? 65 GLU A N 1 +ATOM 1003 C CA . GLU A 1 65 ? -5.52500 -1.50100 11.74000 1.000 50.65081 ? 65 GLU A CA 1 +ATOM 1004 C C . GLU A 1 65 ? -4.72600 -0.34400 12.31100 1.000 54.01174 ? 65 GLU A C 1 +ATOM 1005 O O . GLU A 1 65 ? -3.53000 -0.25000 12.02000 1.000 63.07862 ? 65 GLU A O 1 +ATOM 1006 C CB . GLU A 1 65 ? -5.99200 -1.19100 10.30600 1.000 48.25315 ? 65 GLU A CB 1 +ATOM 1007 C CG . GLU A 1 65 ? -6.84500 -2.32900 9.74800 1.000 50.77714 ? 65 GLU A CG 1 +ATOM 1008 C CD . GLU A 1 65 ? -7.32400 -2.10500 8.32700 1.000 74.53525 ? 65 GLU A CD 1 +ATOM 1009 O OE1 . GLU A 1 65 ? -6.84600 -1.15500 7.66800 1.000 79.60428 ? 65 GLU A OE1 1 +ATOM 1010 O OE2 . GLU A 1 65 ? -8.18000 -2.89700 7.87400 1.000 71.92704 ? 65 GLU A OE2 1 +ATOM 1011 H H . GLU A 1 65 ? -7.44300 -1.61100 12.22900 1.000 56.54000 ? 65 GLU A H 1 +ATOM 1012 H HA . GLU A 1 65 ? -4.92600 -2.26300 11.69900 1.000 60.79000 ? 65 GLU A HA 1 +ATOM 1013 H HB2 . GLU A 1 65 ? -6.52500 -0.38000 10.30900 1.000 57.92000 ? 65 GLU A HB2 1 +ATOM 1014 H HB3 . GLU A 1 65 ? -5.21800 -1.07600 9.73300 1.000 57.92000 ? 65 GLU A HB3 1 +ATOM 1015 H HG2 . GLU A 1 65 ? -6.31900 -3.14400 9.75600 1.000 60.95000 ? 65 GLU A HG2 1 +ATOM 1016 H HG3 . GLU A 1 65 ? -7.62900 -2.43400 10.30900 1.000 60.95000 ? 65 GLU A HG3 1 +ATOM 1017 N N . ASP A 1 66 ? -5.33800 0.49300 13.16700 1.000 52.96951 ? 66 ASP A N 1 +ATOM 1018 C CA . ASP A 1 66 ? -4.68000 1.67400 13.73000 1.000 54.79078 ? 66 ASP A CA 1 +ATOM 1019 C C . ASP A 1 66 ? -4.51100 1.60300 15.24500 1.000 55.73563 ? 66 ASP A C 1 +ATOM 1020 O O . ASP A 1 66 ? -4.35500 2.64200 15.89300 1.000 57.58059 ? 66 ASP A O 1 +ATOM 1021 C CB . ASP A 1 66 ? -5.46600 2.93700 13.35800 1.000 56.69101 ? 66 ASP A CB 1 +ATOM 1022 C CG . ASP A 1 66 ? -6.91600 2.88700 13.83000 1.000 58.42279 ? 66 ASP A CG 1 +ATOM 1023 O OD1 . ASP A 1 66 ? -7.33200 1.84000 14.38800 1.000 56.22516 ? 66 ASP A OD1 1 +ATOM 1024 O OD2 . ASP A 1 66 ? -7.63300 3.90000 13.66300 1.000 59.59399 ? 66 ASP A OD2 1 +ATOM 1025 H H . ASP A 1 66 ? -6.14800 0.39100 13.43800 1.000 63.58000 ? 66 ASP A H 1 +ATOM 1026 H HA . ASP A 1 66 ? -3.78900 1.72600 13.34800 1.000 65.76000 ? 66 ASP A HA 1 +ATOM 1027 H HB2 . ASP A 1 66 ? -5.04200 3.70600 13.77000 1.000 68.04000 ? 66 ASP A HB2 1 +ATOM 1028 H HB3 . ASP A 1 66 ? -5.46700 3.03600 12.39300 1.000 68.04000 ? 66 ASP A HB3 1 +ATOM 1029 N N . LYS A 1 67 ? -4.52600 0.40700 15.83200 1.000 57.84641 ? 67 LYS A N 1 +ATOM 1030 C CA . LYS A 1 67 ? -4.30000 0.25100 17.27100 1.000 49.17432 ? 67 LYS A CA 1 +ATOM 1031 C C . LYS A 1 67 ? -5.30200 1.05500 18.09200 1.000 49.82439 ? 67 LYS A C 1 +ATOM 1032 O O . LYS A 1 67 ? -4.96700 1.57500 19.17200 1.000 50.02968 ? 67 LYS A O 1 +ATOM 1033 C CB . LYS A 1 67 ? -2.87100 0.66500 17.64400 1.000 53.77487 ? 67 LYS A CB 1 +ATOM 1034 C CG . LYS A 1 67 ? -1.77000 -0.22200 17.08800 1.000 54.12754 ? 67 LYS A CG 1 +ATOM 1035 C CD . LYS A 1 67 ? -0.38000 0.26300 17.52100 1.000 62.25220 ? 67 LYS A CD 1 +ATOM 1036 C CE . LYS A 1 67 ? -0.30300 0.56500 19.01900 1.000 71.39540 ? 67 LYS A CE 1 +ATOM 1037 N NZ . LYS A 1 67 ? 1.07900 0.89400 19.48300 1.000 78.76471 ? 67 LYS A NZ 1 +ATOM 1038 H H . LYS A 1 67 ? -4.66500 -0.33300 15.41800 1.000 69.43000 ? 67 LYS A H 1 +ATOM 1039 H HA . LYS A 1 67 ? -4.42300 -0.68500 17.49600 1.000 59.02000 ? 67 LYS A HA 1 +ATOM 1040 H HB2 . LYS A 1 67 ? -2.71500 1.56200 17.31000 1.000 64.54000 ? 67 LYS A HB2 1 +ATOM 1041 H HB3 . LYS A 1 67 ? -2.79100 0.65200 18.61000 1.000 64.54000 ? 67 LYS A HB3 1 +ATOM 1042 H HG2 . LYS A 1 67 ? -1.89200 -1.12700 17.41400 1.000 64.97000 ? 67 LYS A HG2 1 +ATOM 1043 H HG3 . LYS A 1 67 ? -1.80700 -0.21100 16.11900 1.000 64.97000 ? 67 LYS A HG3 1 +ATOM 1044 H HD2 . LYS A 1 67 ? 0.27300 -0.42600 17.32000 1.000 74.72000 ? 67 LYS A HD2 1 +ATOM 1045 H HD3 . LYS A 1 67 ? -0.16400 1.07600 17.03900 1.000 74.72000 ? 67 LYS A HD3 1 +ATOM 1046 H HE2 . LYS A 1 67 ? -0.87300 1.32500 19.21600 1.000 85.69000 ? 67 LYS A HE2 1 +ATOM 1047 H HE3 . LYS A 1 67 ? -0.60600 -0.21300 19.51300 1.000 85.69000 ? 67 LYS A HE3 1 +ATOM 1048 H HZ1 . LYS A 1 67 ? 1.06800 1.09900 20.34900 1.000 94.53000 ? 67 LYS A HZ1 1 +ATOM 1049 H HZ2 . LYS A 1 67 ? 1.61700 0.19600 19.35800 1.000 94.53000 ? 67 LYS A HZ2 1 +ATOM 1050 H HZ3 . LYS A 1 67 ? 1.39600 1.58900 19.02600 1.000 94.53000 ? 67 LYS A HZ3 1 +ATOM 1051 N N . SER A 1 68 ? -6.52700 1.18400 17.59000 1.000 47.33989 ? 68 SER A N 1 +ATOM 1052 C CA . SER A 1 68 ? -7.55400 2.00200 18.22300 1.000 50.12706 ? 68 SER A CA 1 +ATOM 1053 C C . SER A 1 68 ? -8.55500 1.19500 19.04700 1.000 45.64231 ? 68 SER A C 1 +ATOM 1054 O O . SER A 1 68 ? -9.37000 1.79800 19.75300 1.000 45.92393 ? 68 SER A O 1 +ATOM 1055 C CB . SER A 1 68 ? -8.31900 2.81000 17.16500 1.000 47.50306 ? 68 SER A CB 1 +ATOM 1056 O OG . SER A 1 68 ? -9.04900 1.95000 16.28200 1.000 50.39025 ? 68 SER A OG 1 +ATOM 1057 H H . SER A 1 68 ? -6.79200 0.79900 16.86800 1.000 56.82000 ? 68 SER A H 1 +ATOM 1058 H HA . SER A 1 68 ? -7.11400 2.62600 18.82100 1.000 60.16000 ? 68 SER A HA 1 +ATOM 1059 H HB2 . SER A 1 68 ? -8.94300 3.40200 17.61300 1.000 57.02000 ? 68 SER A HB2 1 +ATOM 1060 H HB3 . SER A 1 68 ? -7.68500 3.32700 16.64500 1.000 57.02000 ? 68 SER A HB3 1 +ATOM 1061 H HG . SER A 1 68 ? -8.51900 1.44400 15.87200 1.000 60.48000 ? 68 SER A HG 1 +ATOM 1062 N N . GLU A 1 69 ? -8.51000 -0.12500 18.99200 1.000 39.51000 ? 69 GLU A N 1 +ATOM 1063 C CA . GLU A 1 69 ? -9.49800 -0.97800 19.66200 1.000 45.03961 ? 69 GLU A CA 1 +ATOM 1064 C C . GLU A 1 69 ? -8.82500 -2.07500 20.48000 1.000 41.26284 ? 69 GLU A C 1 +ATOM 1065 O O . GLU A 1 69 ? -9.12900 -3.25500 20.33200 1.000 40.01269 ? 69 GLU A O 1 +ATOM 1066 C CB . GLU A 1 69 ? -10.46100 -1.59100 18.64400 1.000 43.80525 ? 69 GLU A CB 1 +ATOM 1067 C CG . GLU A 1 69 ? -11.33300 -0.57700 17.91700 1.000 60.22827 ? 69 GLU A CG 1 +ATOM 1068 C CD . GLU A 1 69 ? -12.20400 0.24900 18.85900 1.000 75.64591 ? 69 GLU A CD 1 +ATOM 1069 O OE1 . GLU A 1 69 ? -12.57800 -0.25400 19.94300 1.000 71.51121 ? 69 GLU A OE1 1 +ATOM 1070 O OE2 . GLU A 1 69 ? -12.50900 1.41400 18.51100 1.000 84.29695 ? 69 GLU A OE2 1 +ATOM 1071 H H . GLU A 1 69 ? -7.90700 -0.56600 18.56500 1.000 47.42000 ? 69 GLU A H 1 +ATOM 1072 H HA . GLU A 1 69 ? -9.99500 -0.42000 20.27900 1.000 54.06000 ? 69 GLU A HA 1 +ATOM 1073 H HB2 . GLU A 1 69 ? -9.94400 -2.06600 17.97500 1.000 52.58000 ? 69 GLU A HB2 1 +ATOM 1074 H HB3 . GLU A 1 69 ? -11.05100 -2.20600 19.10700 1.000 52.58000 ? 69 GLU A HB3 1 +ATOM 1075 H HG2 . GLU A 1 69 ? -10.76200 0.03400 17.42500 1.000 72.29000 ? 69 GLU A HG2 1 +ATOM 1076 H HG3 . GLU A 1 69 ? -11.92000 -1.04800 17.30400 1.000 72.29000 ? 69 GLU A HG3 1 +ATOM 1077 N N . PRO A 1 70 ? -7.93200 -1.71200 21.39100 1.000 41.22336 ? 70 PRO A N 1 +ATOM 1078 C CA . PRO A 1 70 ? -7.41700 -2.71400 22.33500 1.000 39.48368 ? 70 PRO A CA 1 +ATOM 1079 C C . PRO A 1 70 ? -8.56800 -3.30900 23.13500 1.000 40.29957 ? 70 PRO A C 1 +ATOM 1080 O O . PRO A 1 70 ? -9.48300 -2.59700 23.56000 1.000 41.86555 ? 70 PRO A O 1 +ATOM 1081 C CB . PRO A 1 70 ? -6.44900 -1.90900 23.21900 1.000 41.84712 ? 70 PRO A CB 1 +ATOM 1082 C CG . PRO A 1 70 ? -6.97400 -0.51700 23.15200 1.000 40.57855 ? 70 PRO A CG 1 +ATOM 1083 C CD . PRO A 1 70 ? -7.48200 -0.35600 21.73400 1.000 38.39408 ? 70 PRO A CD 1 +ATOM 1084 H HA . PRO A 1 70 ? -6.92100 -3.41600 21.88500 1.000 47.39000 ? 70 PRO A HA 1 +ATOM 1085 H HB2 . PRO A 1 70 ? -6.46700 -2.24800 24.12800 1.000 50.23000 ? 70 PRO A HB2 1 +ATOM 1086 H HB3 . PRO A 1 70 ? -5.54800 -1.96200 22.86300 1.000 50.23000 ? 70 PRO A HB3 1 +ATOM 1087 H HG2 . PRO A 1 70 ? -7.69300 -0.40400 23.79200 1.000 48.71000 ? 70 PRO A HG2 1 +ATOM 1088 H HG3 . PRO A 1 70 ? -6.26200 0.11400 23.33800 1.000 48.71000 ? 70 PRO A HG3 1 +ATOM 1089 H HD2 . PRO A 1 70 ? -8.22000 0.27300 21.69900 1.000 46.08000 ? 70 PRO A HD2 1 +ATOM 1090 H HD3 . PRO A 1 70 ? -6.77100 -0.06600 21.14200 1.000 46.08000 ? 70 PRO A HD3 1 +ATOM 1091 N N . ARG A 1 71 ? -8.54400 -4.62000 23.30100 1.000 42.19190 ? 71 ARG A N 1 +ATOM 1092 C CA . ARG A 1 71 ? -9.62300 -5.33800 23.97600 1.000 42.39456 ? 71 ARG A CA 1 +ATOM 1093 C C . ARG A 1 71 ? -9.05800 -6.21500 25.08700 1.000 40.33905 ? 71 ARG A C 1 +ATOM 1094 O O . ARG A 1 71 ? -7.99800 -6.83100 24.93300 1.000 41.17862 ? 71 ARG A O 1 +ATOM 1095 C CB . ARG A 1 71 ? -10.42100 -6.19600 22.97900 1.000 45.34491 ? 71 ARG A CB 1 +ATOM 1096 C CG . ARG A 1 71 ? -11.21800 -5.42500 21.91600 1.000 43.44995 ? 71 ARG A CG 1 +ATOM 1097 C CD . ARG A 1 71 ? -12.31100 -4.54900 22.50800 1.000 50.32709 ? 71 ARG A CD 1 +ATOM 1098 N NE . ARG A 1 71 ? -12.97300 -5.17500 23.65000 1.000 50.13496 ? 71 ARG A NE 1 +ATOM 1099 C CZ . ARG A 1 71 ? -13.91400 -6.10200 23.55800 1.000 57.32266 ? 71 ARG A CZ 1 +ATOM 1100 N NH1 . ARG A 1 71 ? -14.35300 -6.52600 22.38300 1.000 52.63263 ? 71 ARG A NH1 1 +ATOM 1101 N NH2 . ARG A 1 71 ? -14.42400 -6.62100 24.67200 1.000 56.73312 ? 71 ARG A NH2 1 +ATOM 1102 H H . ARG A 1 71 ? -7.90500 -5.12800 23.03000 1.000 50.64000 ? 71 ARG A H 1 +ATOM 1103 H HA . ARG A 1 71 ? -10.22700 -4.69900 24.38600 1.000 50.89000 ? 71 ARG A HA 1 +ATOM 1104 H HB2 . ARG A 1 71 ? -9.79800 -6.77200 22.50800 1.000 54.43000 ? 71 ARG A HB2 1 +ATOM 1105 H HB3 . ARG A 1 71 ? -11.05500 -6.73200 23.48000 1.000 54.43000 ? 71 ARG A HB3 1 +ATOM 1106 H HG2 . ARG A 1 71 ? -10.61100 -4.85100 21.42300 1.000 52.15000 ? 71 ARG A HG2 1 +ATOM 1107 H HG3 . ARG A 1 71 ? -11.63700 -6.06000 21.31500 1.000 52.15000 ? 71 ARG A HG3 1 +ATOM 1108 H HD2 . ARG A 1 71 ? -11.92100 -3.71300 22.80700 1.000 60.40000 ? 71 ARG A HD2 1 +ATOM 1109 H HD3 . ARG A 1 71 ? -12.98200 -4.37800 21.82900 1.000 60.40000 ? 71 ARG A HD3 1 +ATOM 1110 H HE . ARG A 1 71 ? -12.73500 -4.92300 24.43800 1.000 60.17000 ? 71 ARG A HE 1 +ATOM 1111 H HH11 . ARG A 1 71 ? -14.02600 -6.19900 21.65800 1.000 63.17000 ? 71 ARG A HH11 1 +ATOM 1112 H HH12 . ARG A 1 71 ? -14.96500 -7.12900 22.34500 1.000 63.17000 ? 71 ARG A HH12 1 +ATOM 1113 H HH21 . ARG A 1 71 ? -14.14100 -6.35300 25.43900 1.000 68.09000 ? 71 ARG A HH21 1 +ATOM 1114 H HH22 . ARG A 1 71 ? -15.03500 -7.22400 24.62600 1.000 68.09000 ? 71 ARG A HH22 1 +ATOM 1115 N N . VAL A 1 72 ? -9.78200 -6.27700 26.20100 1.000 40.04691 ? 72 VAL A N 1 +ATOM 1116 C CA . VAL A 1 72 ? -9.39200 -7.05000 27.36800 1.000 38.10983 ? 72 VAL A CA 1 +ATOM 1117 C C . VAL A 1 72 ? -10.44900 -8.11600 27.61700 1.000 38.87045 ? 72 VAL A C 1 +ATOM 1118 O O . VAL A 1 72 ? -11.64800 -7.81500 27.60100 1.000 45.41597 ? 72 VAL A O 1 +ATOM 1119 C CB . VAL A 1 72 ? -9.23900 -6.15100 28.61700 1.000 44.87907 ? 72 VAL A CB 1 +ATOM 1120 C CG1 . VAL A 1 72 ? -8.92300 -6.99000 29.84100 1.000 43.51048 ? 72 VAL A CG1 1 +ATOM 1121 C CG2 . VAL A 1 72 ? -8.14900 -5.09900 28.37700 1.000 42.94462 ? 72 VAL A CG2 1 +ATOM 1122 H H . VAL A 1 72 ? -10.52900 -5.86300 26.30400 1.000 48.07000 ? 72 VAL A H 1 +ATOM 1123 H HA . VAL A 1 72 ? -8.54500 -7.48900 27.19000 1.000 45.75000 ? 72 VAL A HA 1 +ATOM 1124 H HB . VAL A 1 72 ? -10.07500 -5.68900 28.78400 1.000 53.87000 ? 72 VAL A HB 1 +ATOM 1125 H HG11 . VAL A 1 72 ? -8.67200 -6.40300 30.57000 1.000 52.22000 ? 72 VAL A HG11 1 +ATOM 1126 H HG12 . VAL A 1 72 ? -9.71100 -7.50200 30.08400 1.000 52.22000 ? 72 VAL A HG12 1 +ATOM 1127 H HG13 . VAL A 1 72 ? -8.19000 -7.59000 29.63200 1.000 52.22000 ? 72 VAL A HG13 1 +ATOM 1128 H HG21 . VAL A 1 72 ? -8.01000 -4.59700 29.19400 1.000 51.54000 ? 72 VAL A HG21 1 +ATOM 1129 H HG22 . VAL A 1 72 ? -7.32800 -5.54800 28.12000 1.000 51.54000 ? 72 VAL A HG22 1 +ATOM 1130 H HG23 . VAL A 1 72 ? -8.43600 -4.50300 27.66700 1.000 51.54000 ? 72 VAL A HG23 1 +ATOM 1131 N N . PHE A 1 73 ? -10.00700 -9.34700 27.86400 1.000 40.95228 ? 73 PHE A N 1 +ATOM 1132 C CA . PHE A 1 73 ? -10.88300 -10.47100 28.19400 1.000 42.14979 ? 73 PHE A CA 1 +ATOM 1133 C C . PHE A 1 73 ? -10.32900 -11.13500 29.44500 1.000 42.69196 ? 73 PHE A C 1 +ATOM 1134 O O . PHE A 1 73 ? -9.30300 -11.81900 29.39900 1.000 44.38427 ? 73 PHE A O 1 +ATOM 1135 C CB . PHE A 1 73 ? -10.98500 -11.47200 27.04400 1.000 46.54242 ? 73 PHE A CB 1 +ATOM 1136 C CG . PHE A 1 73 ? -11.44100 -10.86500 25.75700 1.000 42.64459 ? 73 PHE A CG 1 +ATOM 1137 C CD1 . PHE A 1 73 ? -10.53100 -10.32500 24.87700 1.000 45.09488 ? 73 PHE A CD1 1 +ATOM 1138 C CD2 . PHE A 1 73 ? -12.78600 -10.82100 25.43100 1.000 47.97417 ? 73 PHE A CD2 1 +ATOM 1139 C CE1 . PHE A 1 73 ? -10.93800 -9.75000 23.69400 1.000 43.00779 ? 73 PHE A CE1 1 +ATOM 1140 C CE2 . PHE A 1 73 ? -13.20000 -10.24700 24.24100 1.000 46.47926 ? 73 PHE A CE2 1 +ATOM 1141 C CZ . PHE A 1 73 ? -12.27600 -9.71300 23.37500 1.000 46.25028 ? 73 PHE A CZ 1 +ATOM 1142 H H . PHE A 1 73 ? -9.17500 -9.56400 27.84700 1.000 49.15000 ? 73 PHE A H 1 +ATOM 1143 H HA . PHE A 1 73 ? -11.77600 -10.14100 28.37800 1.000 50.59000 ? 73 PHE A HA 1 +ATOM 1144 H HB2 . PHE A 1 73 ? -10.11000 -11.86300 26.89300 1.000 55.86000 ? 73 PHE A HB2 1 +ATOM 1145 H HB3 . PHE A 1 73 ? -11.62000 -12.16300 27.28800 1.000 55.86000 ? 73 PHE A HB3 1 +ATOM 1146 H HD1 . PHE A 1 73 ? -9.62500 -10.35000 25.08500 1.000 54.13000 ? 73 PHE A HD1 1 +ATOM 1147 H HD2 . PHE A 1 73 ? -13.41500 -11.18000 26.01400 1.000 57.58000 ? 73 PHE A HD2 1 +ATOM 1148 H HE1 . PHE A 1 73 ? -10.31000 -9.38800 23.11200 1.000 51.62000 ? 73 PHE A HE1 1 +ATOM 1149 H HE2 . PHE A 1 73 ? -14.10500 -10.22200 24.02700 1.000 55.79000 ? 73 PHE A HE2 1 +ATOM 1150 H HZ . PHE A 1 73 ? -12.55400 -9.32800 22.57600 1.000 55.51000 ? 73 PHE A HZ 1 +ATOM 1151 N N . ILE A 1 74 ? -11.00600 -10.92700 30.57100 1.000 48.24263 ? 74 ILE A N 1 +ATOM 1152 C CA . ILE A 1 74 ? -10.60900 -11.50700 31.84700 1.000 48.74532 ? 74 ILE A CA 1 +ATOM 1153 C C . ILE A 1 74 ? -11.56000 -12.65900 32.15800 1.000 41.78133 ? 74 ILE A C 1 +ATOM 1154 O O . ILE A 1 74 ? -12.77600 -12.53200 31.98100 1.000 47.93996 ? 74 ILE A O 1 +ATOM 1155 C CB . ILE A 1 74 ? -10.61400 -10.44200 32.95900 1.000 49.45856 ? 74 ILE A CB 1 +ATOM 1156 C CG1 . ILE A 1 74 ? -9.45300 -9.46400 32.75200 1.000 47.24514 ? 74 ILE A CG1 1 +ATOM 1157 C CG2 . ILE A 1 74 ? -10.56800 -11.10000 34.33400 1.000 50.27445 ? 74 ILE A CG2 1 +ATOM 1158 C CD1 . ILE A 1 74 ? -9.55100 -8.18500 33.56600 1.000 50.83767 ? 74 ILE A CD1 1 +ATOM 1159 H H . ILE A 1 74 ? -11.71400 -10.44300 30.62000 1.000 57.91000 ? 74 ILE A H 1 +ATOM 1160 H HA . ILE A 1 74 ? -9.71100 -11.86800 31.78700 1.000 58.51000 ? 74 ILE A HA 1 +ATOM 1161 H HB . ILE A 1 74 ? -11.44000 -9.93500 32.90900 1.000 59.36000 ? 74 ILE A HB 1 +ATOM 1162 H HG12 . ILE A 1 74 ? -8.62700 -9.90800 33.00200 1.000 56.71000 ? 74 ILE A HG12 1 +ATOM 1163 H HG13 . ILE A 1 74 ? -9.42400 -9.21300 31.81500 1.000 56.71000 ? 74 ILE A HG13 1 +ATOM 1164 H HG21 . ILE A 1 74 ? -10.28300 -10.44500 34.98900 1.000 60.34000 ? 74 ILE A HG21 1 +ATOM 1165 H HG22 . ILE A 1 74 ? -11.45400 -11.42700 34.55700 1.000 60.34000 ? 74 ILE A HG22 1 +ATOM 1166 H HG23 . ILE A 1 74 ? -9.94000 -11.83900 34.31000 1.000 60.34000 ? 74 ILE A HG23 1 +ATOM 1167 H HD11 . ILE A 1 74 ? -8.76800 -7.64000 33.39300 1.000 61.02000 ? 74 ILE A HD11 1 +ATOM 1168 H HD12 . ILE A 1 74 ? -10.35300 -7.70600 33.30600 1.000 61.02000 ? 74 ILE A HD12 1 +ATOM 1169 H HD13 . ILE A 1 74 ? -9.59300 -8.41300 34.50800 1.000 61.02000 ? 74 ILE A HD13 1 +ATOM 1170 N N . ASN A 1 75 ? -11.00600 -13.78400 32.59700 1.000 42.16295 ? 75 ASN A N 1 +ATOM 1171 C CA . ASN A 1 75 ? -11.75800 -15.01500 32.81300 1.000 48.32158 ? 75 ASN A CA 1 +ATOM 1172 C C . ASN A 1 75 ? -12.61900 -15.34700 31.58300 1.000 48.39264 ? 75 ASN A C 1 +ATOM 1173 O O . ASN A 1 75 ? -13.82600 -15.56100 31.71000 1.000 50.04021 ? 75 ASN A O 1 +ATOM 1174 C CB . ASN A 1 75 ? -12.60700 -14.92100 34.06800 1.000 49.04799 ? 75 ASN A CB 1 +ATOM 1175 C CG . ASN A 1 75 ? -11.76100 -14.68400 35.29700 1.000 50.64555 ? 75 ASN A CG 1 +ATOM 1176 O OD1 . ASN A 1 75 ? -10.58200 -15.03800 35.32400 1.000 49.68227 ? 75 ASN A OD1 1 +ATOM 1177 N ND2 . ASN A 1 75 ? -12.35000 -14.07400 36.32100 1.000 56.64890 ? 75 ASN A ND2 1 +ATOM 1178 H H . ASN A 1 75 ? -10.17000 -13.86200 32.78200 1.000 50.61000 ? 75 ASN A H 1 +ATOM 1179 H HA . ASN A 1 75 ? -11.14500 -15.75400 32.95000 1.000 58.00000 ? 75 ASN A HA 1 +ATOM 1180 H HB2 . ASN A 1 75 ? -13.22800 -14.18100 33.97900 1.000 58.87000 ? 75 ASN A HB2 1 +ATOM 1181 H HB3 . ASN A 1 75 ? -13.09300 -15.75100 34.18900 1.000 58.87000 ? 75 ASN A HB3 1 +ATOM 1182 H HD21 . ASN A 1 75 ? -11.90700 -13.91900 37.04200 1.000 67.99000 ? 75 ASN A HD21 1 +ATOM 1183 H HD22 . ASN A 1 75 ? -13.17400 -13.83500 36.26300 1.000 67.99000 ? 75 ASN A HD22 1 +ATOM 1184 N N . PRO A 1 76 ? -12.01100 -15.41900 30.40200 1.000 45.31070 ? 76 PRO A N 1 +ATOM 1185 C CA . PRO A 1 76 ? -12.79700 -15.62400 29.18600 1.000 45.15541 ? 76 PRO A CA 1 +ATOM 1186 C C . PRO A 1 76 ? -13.28700 -17.05100 29.05400 1.000 45.77654 ? 76 PRO A C 1 +ATOM 1187 O O . PRO A 1 76 ? -12.62100 -18.00400 29.45300 1.000 51.06139 ? 76 PRO A O 1 +ATOM 1188 C CB . PRO A 1 76 ? -11.80600 -15.27600 28.06300 1.000 41.74711 ? 76 PRO A CB 1 +ATOM 1189 C CG . PRO A 1 76 ? -10.48500 -15.65400 28.63600 1.000 44.47902 ? 76 PRO A CG 1 +ATOM 1190 C CD . PRO A 1 76 ? -10.57400 -15.28700 30.12300 1.000 44.10002 ? 76 PRO A CD 1 +ATOM 1191 H HA . PRO A 1 76 ? -13.55500 -15.01900 29.16500 1.000 54.20000 ? 76 PRO A HA 1 +ATOM 1192 H HB2 . PRO A 1 76 ? -12.00500 -15.79200 27.26700 1.000 50.11000 ? 76 PRO A HB2 1 +ATOM 1193 H HB3 . PRO A 1 76 ? -11.84400 -14.32800 27.86200 1.000 50.11000 ? 76 PRO A HB3 1 +ATOM 1194 H HG2 . PRO A 1 76 ? -10.33600 -16.60600 28.52300 1.000 53.39000 ? 76 PRO A HG2 1 +ATOM 1195 H HG3 . PRO A 1 76 ? -9.77900 -15.15400 28.19800 1.000 53.39000 ? 76 PRO A HG3 1 +ATOM 1196 H HD2 . PRO A 1 76 ? -10.05600 -15.90200 30.66400 1.000 52.93000 ? 76 PRO A HD2 1 +ATOM 1197 H HD3 . PRO A 1 76 ? -10.27300 -14.37700 30.27400 1.000 52.93000 ? 76 PRO A HD3 1 +ATOM 1198 N N . GLU A 1 77 ? -14.45700 -17.18500 28.45200 1.000 45.27911 ? 77 GLU A N 1 +ATOM 1199 C CA . GLU A 1 77 ? -15.01200 -18.45800 28.03200 1.000 54.26703 ? 77 GLU A CA 1 +ATOM 1200 C C . GLU A 1 77 ? -15.64100 -18.25200 26.66500 1.000 52.42734 ? 77 GLU A C 1 +ATOM 1201 O O . GLU A 1 77 ? -16.06900 -17.14200 26.33100 1.000 51.04559 ? 77 GLU A O 1 +ATOM 1202 C CB . GLU A 1 77 ? -16.05300 -18.98500 29.04000 1.000 54.13281 ? 77 GLU A CB 1 +ATOM 1203 C CG . GLU A 1 77 ? -15.44700 -19.35300 30.38700 1.000 63.47340 ? 77 GLU A CG 1 +ATOM 1204 C CD . GLU A 1 77 ? -16.47400 -19.37700 31.50300 1.000 80.61756 ? 77 GLU A CD 1 +ATOM 1205 O OE1 . GLU A 1 77 ? -17.67600 -19.19200 31.20400 1.000 71.86651 ? 77 GLU A OE1 1 +ATOM 1206 O OE2 . GLU A 1 77 ? -16.08100 -19.57300 32.67500 1.000 88.57115 ? 77 GLU A OE2 1 +ATOM 1207 H H . GLU A 1 77 ? -14.97300 -16.52200 28.26800 1.000 54.35000 ? 77 GLU A H 1 +ATOM 1208 H HA . GLU A 1 77 ? -14.31800 -19.13200 27.96100 1.000 65.13000 ? 77 GLU A HA 1 +ATOM 1209 H HB2 . GLU A 1 77 ? -16.72100 -18.29800 29.19100 1.000 64.97000 ? 77 GLU A HB2 1 +ATOM 1210 H HB3 . GLU A 1 77 ? -16.47100 -19.78000 28.67400 1.000 64.97000 ? 77 GLU A HB3 1 +ATOM 1211 H HG2 . GLU A 1 77 ? -15.05000 -20.23600 30.32400 1.000 76.18000 ? 77 GLU A HG2 1 +ATOM 1212 H HG3 . GLU A 1 77 ? -14.76800 -18.70000 30.61700 1.000 76.18000 ? 77 GLU A HG3 1 +ATOM 1213 N N . PHE A 1 78 ? -15.65700 -19.31500 25.85900 1.000 46.44767 ? 78 PHE A N 1 +ATOM 1214 C CA . PHE A 1 78 ? -16.29400 -19.26500 24.55000 1.000 48.28737 ? 78 PHE A CA 1 +ATOM 1215 C C . PHE A 1 78 ? -17.11800 -20.52800 24.35100 1.000 49.47172 ? 78 PHE A C 1 +ATOM 1216 O O . PHE A 1 78 ? -16.84600 -21.57100 24.95000 1.000 51.19824 ? 78 PHE A O 1 +ATOM 1217 C CB . PHE A 1 78 ? -15.27800 -19.08600 23.39000 1.000 49.82176 ? 78 PHE A CB 1 +ATOM 1218 C CG . PHE A 1 78 ? -14.49000 -20.32600 23.03600 1.000 48.50845 ? 78 PHE A CG 1 +ATOM 1219 C CD1 . PHE A 1 78 ? -15.00700 -21.27400 22.16600 1.000 50.85347 ? 78 PHE A CD1 1 +ATOM 1220 C CD2 . PHE A 1 78 ? -13.21900 -20.52300 23.54300 1.000 49.87177 ? 78 PHE A CD2 1 +ATOM 1221 C CE1 . PHE A 1 78 ? -14.28100 -22.40500 21.83500 1.000 48.10314 ? 78 PHE A CE1 1 +ATOM 1222 C CE2 . PHE A 1 78 ? -12.49100 -21.65500 23.21300 1.000 47.32673 ? 78 PHE A CE2 1 +ATOM 1223 C CZ . PHE A 1 78 ? -13.01300 -22.58600 22.36900 1.000 50.15075 ? 78 PHE A CZ 1 +ATOM 1224 H H . PHE A 1 78 ? -15.30400 -20.07500 26.05100 1.000 55.75000 ? 78 PHE A H 1 +ATOM 1225 H HA . PHE A 1 78 ? -16.89100 -18.50100 24.51700 1.000 57.96000 ? 78 PHE A HA 1 +ATOM 1226 H HB2 . PHE A 1 78 ? -15.76300 -18.81300 22.59600 1.000 59.80000 ? 78 PHE A HB2 1 +ATOM 1227 H HB3 . PHE A 1 78 ? -14.64100 -18.39900 23.64200 1.000 59.80000 ? 78 PHE A HB3 1 +ATOM 1228 H HD1 . PHE A 1 78 ? -15.85300 -21.14800 21.80000 1.000 61.03000 ? 78 PHE A HD1 1 +ATOM 1229 H HD2 . PHE A 1 78 ? -12.84900 -19.88900 24.11300 1.000 59.86000 ? 78 PHE A HD2 1 +ATOM 1230 H HE1 . PHE A 1 78 ? -14.64100 -23.04000 21.25900 1.000 57.74000 ? 78 PHE A HE1 1 +ATOM 1231 H HE2 . PHE A 1 78 ? -11.64200 -21.77900 23.57000 1.000 56.80000 ? 78 PHE A HE2 1 +ATOM 1232 H HZ . PHE A 1 78 ? -12.52000 -23.34400 22.15100 1.000 60.19000 ? 78 PHE A HZ 1 +ATOM 1233 N N . GLU A 1 79 ? -18.15000 -20.40800 23.51100 1.000 48.60056 ? 79 GLU A N 1 +ATOM 1234 C CA . GLU A 1 79 ? -19.05600 -21.49900 23.19500 1.000 54.45916 ? 79 GLU A CA 1 +ATOM 1235 C C . GLU A 1 79 ? -19.36600 -21.37300 21.70600 1.000 51.34037 ? 79 GLU A C 1 +ATOM 1236 O O . GLU A 1 79 ? -19.78900 -20.29600 21.25600 1.000 55.70142 ? 79 GLU A O 1 +ATOM 1237 C CB . GLU A 1 79 ? -20.33700 -21.43100 24.03800 1.000 69.22935 ? 79 GLU A CB 1 +ATOM 1238 C CG . GLU A 1 79 ? -21.29900 -22.59800 23.85300 1.000 97.64855 ? 79 GLU A CG 1 +ATOM 1239 C CD . GLU A 1 79 ? -22.51200 -22.51700 24.77800 1.000 122.13570 ? 79 GLU A CD 1 +ATOM 1240 O OE1 . GLU A 1 79 ? -22.57800 -21.57400 25.59800 1.000 124.82549 ? 79 GLU A OE1 1 +ATOM 1241 O OE2 . GLU A 1 79 ? -23.39600 -23.39800 24.68100 1.000 106.00745 ? 79 GLU A OE2 1 +ATOM 1242 H H . GLU A 1 79 ? -18.34700 -19.67900 23.10100 1.000 58.33000 ? 79 GLU A H 1 +ATOM 1243 H HA . GLU A 1 79 ? -18.63800 -22.35700 23.37100 1.000 65.36000 ? 79 GLU A HA 1 +ATOM 1244 H HB2 . GLU A 1 79 ? -20.08600 -21.40800 24.97500 1.000 83.09000 ? 79 GLU A HB2 1 +ATOM 1245 H HB3 . GLU A 1 79 ? -20.81500 -20.62100 23.80300 1.000 83.09000 ? 79 GLU A HB3 1 +ATOM 1246 H HG2 . GLU A 1 79 ? -21.61900 -22.60200 22.93800 1.000 117.19000 ? 79 GLU A HG2 1 +ATOM 1247 H HG3 . GLU A 1 79 ? -20.83100 -23.42600 24.04400 1.000 117.19000 ? 79 GLU A HG3 1 +ATOM 1248 N N . PRO A 1 80 ? -19.16500 -22.43100 20.91800 1.000 56.85682 ? 80 PRO A N 1 +ATOM 1249 C CA . PRO A 1 80 ? -19.49400 -22.35100 19.48500 1.000 57.40951 ? 80 PRO A CA 1 +ATOM 1250 C C . PRO A 1 80 ? -20.96700 -22.05900 19.24300 1.000 58.87548 ? 80 PRO A C 1 +ATOM 1251 O O . PRO A 1 80 ? -21.84100 -22.57200 19.94000 1.000 61.25734 ? 80 PRO A O 1 +ATOM 1252 C CB . PRO A 1 80 ? -19.11100 -23.73900 18.95000 1.000 59.18868 ? 80 PRO A CB 1 +ATOM 1253 C CG . PRO A 1 80 ? -18.12900 -24.28300 19.94600 1.000 57.62007 ? 80 PRO A CG 1 +ATOM 1254 C CD . PRO A 1 80 ? -18.52800 -23.71300 21.27900 1.000 54.48285 ? 80 PRO A CD 1 +ATOM 1255 H HA . PRO A 1 80 ? -18.95500 -21.66400 19.06300 1.000 68.90000 ? 80 PRO A HA 1 +ATOM 1256 H HB2 . PRO A 1 80 ? -19.90000 -24.30200 18.89700 1.000 71.04000 ? 80 PRO A HB2 1 +ATOM 1257 H HB3 . PRO A 1 80 ? -18.70600 -23.65500 18.07300 1.000 71.04000 ? 80 PRO A HB3 1 +ATOM 1258 H HG2 . PRO A 1 80 ? -18.18000 -25.25200 19.95800 1.000 69.16000 ? 80 PRO A HG2 1 +ATOM 1259 H HG3 . PRO A 1 80 ? -17.23200 -24.00100 19.70700 1.000 69.16000 ? 80 PRO A HG3 1 +ATOM 1260 H HD2 . PRO A 1 80 ? -19.15600 -24.29700 21.73100 1.000 65.39000 ? 80 PRO A HD2 1 +ATOM 1261 H HD3 . PRO A 1 80 ? -17.74900 -23.56700 21.83900 1.000 65.39000 ? 80 PRO A HD3 1 +ATOM 1262 N N . LEU A 1 81 ? -21.23500 -21.23100 18.22800 1.000 59.71242 ? 81 LEU A N 1 +ATOM 1263 C CA . LEU A 1 81 ? -22.58800 -20.98100 17.74700 1.000 62.79700 ? 81 LEU A CA 1 +ATOM 1264 C C . LEU A 1 81 ? -22.82800 -21.59400 16.36600 1.000 70.65058 ? 81 LEU A C 1 +ATOM 1265 O O . LEU A 1 81 ? -23.76900 -21.20100 15.66700 1.000 72.33499 ? 81 LEU A O 1 +ATOM 1266 C CB . LEU A 1 81 ? -22.88600 -19.48200 17.70200 1.000 62.04165 ? 81 LEU A CB 1 +ATOM 1267 C CG . LEU A 1 81 ? -22.79400 -18.72300 19.03400 1.000 62.91017 ? 81 LEU A CG 1 +ATOM 1268 C CD1 . LEU A 1 81 ? -23.24000 -17.27500 18.84200 1.000 64.57880 ? 81 LEU A CD1 1 +ATOM 1269 C CD2 . LEU A 1 81 ? -23.60100 -19.41100 20.12700 1.000 64.37614 ? 81 LEU A CD2 1 +ATOM 1270 H H . LEU A 1 81 ? -20.63300 -20.79400 17.79700 1.000 71.67000 ? 81 LEU A H 1 +ATOM 1271 H HA . LEU A 1 81 ? -23.20600 -21.38800 18.37400 1.000 75.37000 ? 81 LEU A HA 1 +ATOM 1272 H HB2 . LEU A 1 81 ? -22.25300 -19.06900 17.09500 1.000 74.46000 ? 81 LEU A HB2 1 +ATOM 1273 H HB3 . LEU A 1 81 ? -23.78900 -19.36600 17.37000 1.000 74.46000 ? 81 LEU A HB3 1 +ATOM 1274 H HG . LEU A 1 81 ? -21.87100 -18.71900 19.33100 1.000 75.51000 ? 81 LEU A HG 1 +ATOM 1275 H HD11 . LEU A 1 81 ? -23.16700 -16.80700 19.68900 1.000 77.51000 ? 81 LEU A HD11 1 +ATOM 1276 H HD12 . LEU A 1 81 ? -22.66900 -16.85300 18.18100 1.000 77.51000 ? 81 LEU A HD12 1 +ATOM 1277 H HD13 . LEU A 1 81 ? -24.16100 -17.26500 18.53700 1.000 77.51000 ? 81 LEU A HD13 1 +ATOM 1278 H HD21 . LEU A 1 81 ? -23.64000 -18.83100 20.90400 1.000 77.26000 ? 81 LEU A HD21 1 +ATOM 1279 H HD22 . LEU A 1 81 ? -24.49700 -19.58300 19.79800 1.000 77.26000 ? 81 LEU A HD22 1 +ATOM 1280 H HD23 . LEU A 1 81 ? -23.16900 -20.24700 20.36100 1.000 77.26000 ? 81 LEU A HD23 1 +ATOM 1281 N N . THR A 1 82 ? -21.98300 -22.54000 15.95700 1.000 66.28953 ? 82 THR A N 1 +ATOM 1282 C CA . THR A 1 82 ? -22.14700 -23.23900 14.69200 1.000 62.63909 ? 82 THR A CA 1 +ATOM 1283 C C . THR A 1 82 ? -21.35700 -24.53400 14.76700 1.000 65.38152 ? 82 THR A C 1 +ATOM 1284 O O . THR A 1 82 ? -20.35800 -24.62700 15.48300 1.000 65.54207 ? 82 THR A O 1 +ATOM 1285 C CB . THR A 1 82 ? -21.66600 -22.41000 13.49500 1.000 67.94762 ? 82 THR A CB 1 +ATOM 1286 O OG1 . THR A 1 82 ? -21.86000 -23.15700 12.28400 1.000 68.29503 ? 82 THR A OG1 1 +ATOM 1287 C CG2 . THR A 1 82 ? -20.18000 -22.06000 13.62000 1.000 63.43919 ? 82 THR A CG2 1 +ATOM 1288 H H . THR A 1 82 ? -21.29600 -22.79700 16.40500 1.000 79.56000 ? 82 THR A H 1 +ATOM 1289 H HA . THR A 1 82 ? -23.08800 -23.43500 14.55900 1.000 75.18000 ? 82 THR A HA 1 +ATOM 1290 H HB . THR A 1 82 ? -22.17300 -21.58300 13.46600 1.000 81.55000 ? 82 THR A HB 1 +ATOM 1291 H HG1 . THR A 1 82 ? -21.64700 -22.68800 11.62000 1.000 81.96000 ? 82 THR A HG1 1 +ATOM 1292 H HG21 . THR A 1 82 ? -19.93800 -21.39800 12.95300 1.000 76.14000 ? 82 THR A HG21 1 +ATOM 1293 H HG22 . THR A 1 82 ? -19.99700 -21.69900 14.50200 1.000 76.14000 ? 82 THR A HG22 1 +ATOM 1294 H HG23 . THR A 1 82 ? -19.63900 -22.85400 13.48700 1.000 76.14000 ? 82 THR A HG23 1 +ATOM 1295 N N . GLU A 1 83 ? -21.81400 -25.53000 14.02600 1.000 67.53441 ? 83 GLU A N 1 +ATOM 1296 C CA . GLU A 1 83 ? -21.03900 -26.74600 13.82200 1.000 71.85598 ? 83 GLU A CA 1 +ATOM 1297 C C . GLU A 1 83 ? -20.13900 -26.64500 12.59900 1.000 66.61062 ? 83 GLU A C 1 +ATOM 1298 O O . GLU A 1 83 ? -19.31400 -27.53600 12.38000 1.000 70.69005 ? 83 GLU A O 1 +ATOM 1299 C CB . GLU A 1 83 ? -21.98400 -27.95200 13.69300 1.000 86.51037 ? 83 GLU A CB 1 +ATOM 1300 C CG . GLU A 1 83 ? -21.30900 -29.30700 13.85900 1.000 99.55404 ? 83 GLU A CG 1 +ATOM 1301 C CD . GLU A 1 83 ? -22.31300 -30.44200 14.01500 1.000 110.85276 ? 83 GLU A CD 1 +ATOM 1302 O OE1 . GLU A 1 83 ? -23.53000 -30.15900 14.07200 1.000 107.54711 ? 83 GLU A OE1 1 +ATOM 1303 O OE2 . GLU A 1 83 ? -21.88400 -31.61400 14.08100 1.000 110.58694 ? 83 GLU A OE2 1 +ATOM 1304 H H . GLU A 1 83 ? -22.57600 -25.52700 13.62700 1.000 81.05000 ? 83 GLU A H 1 +ATOM 1305 H HA . GLU A 1 83 ? -20.47400 -26.91100 14.59300 1.000 86.24000 ? 83 GLU A HA 1 +ATOM 1306 H HB2 . GLU A 1 83 ? -22.67000 -27.88000 14.37500 1.000 103.82000 ? 83 GLU A HB2 1 +ATOM 1307 H HB3 . GLU A 1 83 ? -22.38900 -27.93300 12.81100 1.000 103.82000 ? 83 GLU A HB3 1 +ATOM 1308 H HG2 . GLU A 1 83 ? -20.76700 -29.48900 13.07600 1.000 119.47000 ? 83 GLU A HG2 1 +ATOM 1309 H HG3 . GLU A 1 83 ? -20.75100 -29.28700 14.65200 1.000 119.47000 ? 83 GLU A HG3 1 +ATOM 1310 N N . ASP A 1 84 ? -20.27300 -25.58200 11.81000 1.000 67.60811 ? 84 ASP A N 1 +ATOM 1311 C CA . ASP A 1 84 ? -19.39500 -25.37700 10.66800 1.000 69.94786 ? 84 ASP A CA 1 +ATOM 1312 C C . ASP A 1 84 ? -17.96500 -25.14400 11.13900 1.000 66.96856 ? 84 ASP A C 1 +ATOM 1313 O O . ASP A 1 84 ? -17.72000 -24.44600 12.13200 1.000 59.24131 ? 84 ASP A O 1 +ATOM 1314 C CB . ASP A 1 84 ? -19.86100 -24.19000 9.82600 1.000 66.24215 ? 84 ASP A CB 1 +ATOM 1315 C CG . ASP A 1 84 ? -21.07500 -24.52000 8.97500 1.000 71.36382 ? 84 ASP A CG 1 +ATOM 1316 O OD1 . ASP A 1 84 ? -21.43400 -25.71300 8.88200 1.000 69.08723 ? 84 ASP A OD1 1 +ATOM 1317 O OD2 . ASP A 1 84 ? -21.67600 -23.58500 8.40800 1.000 72.94296 ? 84 ASP A OD2 1 +ATOM 1318 H H . ASP A 1 84 ? -20.86400 -24.96600 11.91600 1.000 81.14000 ? 84 ASP A H 1 +ATOM 1319 H HA . ASP A 1 84 ? -19.41600 -26.16700 10.10500 1.000 83.95000 ? 84 ASP A HA 1 +ATOM 1320 H HB2 . ASP A 1 84 ? -20.09800 -23.45700 10.41600 1.000 79.50000 ? 84 ASP A HB2 1 +ATOM 1321 H HB3 . ASP A 1 84 ? -19.14300 -23.92000 9.23300 1.000 79.50000 ? 84 ASP A HB3 1 +ATOM 1322 N N . MET A 1 85 ? -17.02500 -25.73900 10.42200 1.000 70.87955 ? 85 MET A N 1 +ATOM 1323 C CA . MET A 1 85 ? -15.60700 -25.61300 10.71400 1.000 71.61385 ? 85 MET A CA 1 +ATOM 1324 C C . MET A 1 85 ? -14.94000 -24.86500 9.57600 1.000 70.84007 ? 85 MET A C 1 +ATOM 1325 O O . MET A 1 85 ? -15.19300 -25.15500 8.40200 1.000 72.05601 ? 85 MET A O 1 +ATOM 1326 C CB . MET A 1 85 ? -14.96100 -26.98700 10.88600 1.000 70.25316 ? 85 MET A CB 1 +ATOM 1327 C CG . MET A 1 85 ? -15.49600 -27.73700 12.07500 1.000 79.90958 ? 85 MET A CG 1 +ATOM 1328 S SD . MET A 1 85 ? -14.93300 -26.99100 13.60900 1.000 74.71422 ? 85 MET A SD 1 +ATOM 1329 C CE . MET A 1 85 ? -13.27100 -27.63600 13.70000 1.000 64.93410 ? 85 MET A CE 1 +ATOM 1330 H H . MET A 1 85 ? -17.18900 -26.23600 9.73900 1.000 85.06000 ? 85 MET A H 1 +ATOM 1331 H HA . MET A 1 85 ? -15.48700 -25.12100 11.54200 1.000 85.95000 ? 85 MET A HA 1 +ATOM 1332 H HB2 . MET A 1 85 ? -15.13400 -27.51800 10.09400 1.000 84.31000 ? 85 MET A HB2 1 +ATOM 1333 H HB3 . MET A 1 85 ? -14.00600 -26.87400 11.00900 1.000 84.31000 ? 85 MET A HB3 1 +ATOM 1334 H HG2 . MET A 1 85 ? -16.46600 -27.71700 12.06000 1.000 95.90000 ? 85 MET A HG2 1 +ATOM 1335 H HG3 . MET A 1 85 ? -15.18300 -28.65500 12.04600 1.000 95.90000 ? 85 MET A HG3 1 +ATOM 1336 H HE1 . MET A 1 85 ? -12.91300 -27.46200 14.58500 1.000 77.93000 ? 85 MET A HE1 1 +ATOM 1337 H HE2 . MET A 1 85 ? -13.29400 -28.59200 13.53500 1.000 77.93000 ? 85 MET A HE2 1 +ATOM 1338 H HE3 . MET A 1 85 ? -12.72500 -27.19700 13.03000 1.000 77.93000 ? 85 MET A HE3 1 +ATOM 1339 N N . ASP A 1 86 ? -14.10400 -23.90400 9.92800 1.000 59.49661 ? 86 ASP A N 1 +ATOM 1340 C CA . ASP A 1 86 ? -13.30400 -23.18400 8.96200 1.000 56.39097 ? 86 ASP A CA 1 +ATOM 1341 C C . ASP A 1 86 ? -11.83300 -23.33700 9.31200 1.000 58.71757 ? 86 ASP A C 1 +ATOM 1342 O O . ASP A 1 86 ? -11.45700 -23.57100 10.46700 1.000 58.12013 ? 86 ASP A O 1 +ATOM 1343 C CB . ASP A 1 86 ? -13.67300 -21.70000 8.91000 1.000 70.67426 ? 86 ASP A CB 1 +ATOM 1344 C CG . ASP A 1 86 ? -14.99800 -21.45800 8.21600 1.000 77.15662 ? 86 ASP A CG 1 +ATOM 1345 O OD1 . ASP A 1 86 ? -15.46500 -22.36500 7.50400 1.000 80.59124 ? 86 ASP A OD1 1 +ATOM 1346 O OD2 . ASP A 1 86 ? -15.56500 -20.36100 8.38200 1.000 86.56827 ? 86 ASP A OD2 1 +ATOM 1347 H H . ASP A 1 86 ? -13.98100 -23.64800 10.74000 1.000 71.41000 ? 86 ASP A H 1 +ATOM 1348 H HA . ASP A 1 86 ? -13.45700 -23.55600 8.07900 1.000 67.68000 ? 86 ASP A HA 1 +ATOM 1349 H HB2 . ASP A 1 86 ? -13.74100 -21.35800 9.81500 1.000 84.82000 ? 86 ASP A HB2 1 +ATOM 1350 H HB3 . ASP A 1 86 ? -12.98600 -21.21900 8.42300 1.000 84.82000 ? 86 ASP A HB3 1 +ATOM 1351 N N . GLN A 1 87 ? -11.01100 -23.16700 8.29800 1.000 55.28821 ? 87 GLN A N 1 +ATOM 1352 C CA . GLN A 1 87 ? -9.56900 -23.25300 8.41100 1.000 58.02011 ? 87 GLN A CA 1 +ATOM 1353 C C . GLN A 1 87 ? -8.96000 -21.86400 8.48300 1.000 49.46909 ? 87 GLN A C 1 +ATOM 1354 O O . GLN A 1 87 ? -9.38600 -20.95300 7.77400 1.000 49.78228 ? 87 GLN A O 1 +ATOM 1355 C CB . GLN A 1 87 ? -9.02100 -24.00100 7.19500 1.000 55.30400 ? 87 GLN A CB 1 +ATOM 1356 C CG . GLN A 1 87 ? -7.73800 -24.69600 7.43300 1.000 67.29754 ? 87 GLN A CG 1 +ATOM 1357 C CD . GLN A 1 87 ? -7.45500 -25.69700 6.35100 1.000 67.55284 ? 87 GLN A CD 1 +ATOM 1358 O OE1 . GLN A 1 87 ? -7.11300 -25.32500 5.23100 1.000 74.55104 ? 87 GLN A OE1 1 +ATOM 1359 N NE2 . GLN A 1 87 ? -7.62000 -26.97600 6.66800 1.000 76.16703 ? 87 GLN A NE2 1 +ATOM 1360 H H . GLN A 1 87 ? -11.27500 -22.99400 7.49800 1.000 66.36000 ? 87 GLN A H 1 +ATOM 1361 H HA . GLN A 1 87 ? -9.31900 -23.72100 9.22300 1.000 69.64000 ? 87 GLN A HA 1 +ATOM 1362 H HB2 . GLN A 1 87 ? -9.67100 -24.66900 6.92400 1.000 66.38000 ? 87 GLN A HB2 1 +ATOM 1363 H HB3 . GLN A 1 87 ? -8.88200 -23.36400 6.47700 1.000 66.38000 ? 87 GLN A HB3 1 +ATOM 1364 H HG2 . GLN A 1 87 ? -7.01800 -24.04600 7.44500 1.000 80.77000 ? 87 GLN A HG2 1 +ATOM 1365 H HG3 . GLN A 1 87 ? -7.77800 -25.16400 8.28100 1.000 80.77000 ? 87 GLN A HG3 1 +ATOM 1366 H HE21 . GLN A 1 87 ? -7.87700 -27.19300 7.45900 1.000 91.41000 ? 87 GLN A HE21 1 +ATOM 1367 H HE22 . GLN A 1 87 ? -7.47000 -27.58700 6.08100 1.000 91.41000 ? 87 GLN A HE22 1 +ATOM 1368 N N . TYR A 1 88 ? -7.95300 -21.71000 9.33600 1.000 47.54517 ? 88 TYR A N 1 +ATOM 1369 C CA . TYR A 1 88 ? -7.17000 -20.49200 9.36900 1.000 43.31046 ? 88 TYR A CA 1 +ATOM 1370 C C . TYR A 1 88 ? -5.71000 -20.86200 9.59300 1.000 43.13675 ? 88 TYR A C 1 +ATOM 1371 O O . TYR A 1 88 ? -5.40100 -21.68900 10.45100 1.000 44.32110 ? 88 TYR A O 1 +ATOM 1372 C CB . TYR A 1 88 ? -7.63900 -19.53700 10.47700 1.000 46.63980 ? 88 TYR A CB 1 +ATOM 1373 C CG . TYR A 1 88 ? -7.28300 -18.10700 10.18400 1.000 44.01844 ? 88 TYR A CG 1 +ATOM 1374 C CD1 . TYR A 1 88 ? -6.01800 -17.62300 10.46300 1.000 46.92142 ? 88 TYR A CD1 1 +ATOM 1375 C CD2 . TYR A 1 88 ? -8.20000 -17.24600 9.60600 1.000 46.86878 ? 88 TYR A CD2 1 +ATOM 1376 C CE1 . TYR A 1 88 ? -5.67000 -16.32400 10.19000 1.000 42.33139 ? 88 TYR A CE1 1 +ATOM 1377 C CE2 . TYR A 1 88 ? -7.87000 -15.94200 9.32200 1.000 42.19453 ? 88 TYR A CE2 1 +ATOM 1378 C CZ . TYR A 1 88 ? -6.60900 -15.48200 9.60900 1.000 48.80585 ? 88 TYR A CZ 1 +ATOM 1379 O OH . TYR A 1 88 ? -6.27300 -14.18100 9.32000 1.000 50.94295 ? 88 TYR A OH 1 +ATOM 1380 H H . TYR A 1 88 ? -7.70700 -22.30400 9.90800 1.000 57.06000 ? 88 TYR A H 1 +ATOM 1381 H HA . TYR A 1 88 ? -7.25300 -20.02700 8.52200 1.000 51.98000 ? 88 TYR A HA 1 +ATOM 1382 H HB2 . TYR A 1 88 ? -8.60400 -19.59700 10.56100 1.000 55.98000 ? 88 TYR A HB2 1 +ATOM 1383 H HB3 . TYR A 1 88 ? -7.21700 -19.78800 11.31300 1.000 55.98000 ? 88 TYR A HB3 1 +ATOM 1384 H HD1 . TYR A 1 88 ? -5.38900 -18.19100 10.84500 1.000 56.32000 ? 88 TYR A HD1 1 +ATOM 1385 H HD2 . TYR A 1 88 ? -9.05300 -17.55600 9.40600 1.000 56.25000 ? 88 TYR A HD2 1 +ATOM 1386 H HE1 . TYR A 1 88 ? -4.81700 -16.01200 10.39100 1.000 50.81000 ? 88 TYR A HE1 1 +ATOM 1387 H HE2 . TYR A 1 88 ? -8.49900 -15.37500 8.93700 1.000 50.65000 ? 88 TYR A HE2 1 +ATOM 1388 H HH . TYR A 1 88 ? -6.91300 -13.79800 8.93400 1.000 61.14000 ? 88 TYR A HH 1 +ATOM 1389 N N . GLN A 1 89 ? -4.81800 -20.24400 8.82700 1.000 40.40221 ? 89 GLN A N 1 +ATOM 1390 C CA . GLN A 1 89 ? -3.38600 -20.51700 8.95800 1.000 40.50222 ? 89 GLN A CA 1 +ATOM 1391 C C . GLN A 1 89 ? -2.83700 -19.65400 10.08900 1.000 41.74711 ? 89 GLN A C 1 +ATOM 1392 O O . GLN A 1 89 ? -2.66700 -18.44200 9.93000 1.000 45.83444 ? 89 GLN A O 1 +ATOM 1393 C CB . GLN A 1 89 ? -2.65100 -20.25800 7.63400 1.000 44.55797 ? 89 GLN A CB 1 +ATOM 1394 C CG . GLN A 1 89 ? -1.20400 -20.74700 7.68000 1.000 43.24203 ? 89 GLN A CG 1 +ATOM 1395 C CD . GLN A 1 89 ? -0.68400 -21.20400 6.33300 1.000 45.96341 ? 89 GLN A CD 1 +ATOM 1396 O OE1 . GLN A 1 89 ? -1.34300 -21.02600 5.30300 1.000 45.76865 ? 89 GLN A OE1 1 +ATOM 1397 N NE2 . GLN A 1 89 ? 0.49100 -21.82800 6.33200 1.000 43.62102 ? 89 GLN A NE2 1 +ATOM 1398 H H . GLN A 1 89 ? -5.01400 -19.66200 8.22500 1.000 48.42000 ? 89 GLN A H 1 +ATOM 1399 H HA . GLN A 1 89 ? -3.25000 -21.45100 9.18200 1.000 48.61000 ? 89 GLN A HA 1 +ATOM 1400 H HB2 . GLN A 1 89 ? -3.10800 -20.72600 6.91800 1.000 53.48000 ? 89 GLN A HB2 1 +ATOM 1401 H HB3 . GLN A 1 89 ? -2.64400 -19.30400 7.45500 1.000 53.48000 ? 89 GLN A HB3 1 +ATOM 1402 H HG2 . GLN A 1 89 ? -0.63700 -20.02300 7.98800 1.000 51.90000 ? 89 GLN A HG2 1 +ATOM 1403 H HG3 . GLN A 1 89 ? -1.14600 -21.49800 8.29100 1.000 51.90000 ? 89 GLN A HG3 1 +ATOM 1404 H HE21 . GLN A 1 89 ? 0.91200 -21.95300 7.07100 1.000 52.36000 ? 89 GLN A HE21 1 +ATOM 1405 H HE22 . GLN A 1 89 ? 0.82900 -22.10700 5.59200 1.000 52.36000 ? 89 GLN A HE22 1 +ATOM 1406 N N . GLU A 1 90 ? -2.56000 -20.28400 11.22100 1.000 38.21248 ? 90 GLU A N 1 +ATOM 1407 C CA . GLU A 1 90 ? -2.23400 -19.60300 12.45700 1.000 39.80740 ? 90 GLU A CA 1 +ATOM 1408 C C . GLU A 1 90 ? -0.75100 -19.68700 12.77100 1.000 39.00731 ? 90 GLU A C 1 +ATOM 1409 O O . GLU A 1 90 ? -0.11700 -20.71200 12.51800 1.000 42.54984 ? 90 GLU A O 1 +ATOM 1410 C CB . GLU A 1 90 ? -3.00600 -20.20900 13.62800 1.000 40.56539 ? 90 GLU A CB 1 +ATOM 1411 C CG . GLU A 1 90 ? -4.51300 -20.05700 13.53700 1.000 45.63968 ? 90 GLU A CG 1 +ATOM 1412 C CD . GLU A 1 90 ? -5.21800 -20.65000 14.75300 1.000 41.55761 ? 90 GLU A CD 1 +ATOM 1413 O OE1 . GLU A 1 90 ? -4.61900 -20.65300 15.85100 1.000 43.09201 ? 90 GLU A OE1 1 +ATOM 1414 O OE2 . GLU A 1 90 ? -6.35100 -21.12800 14.59200 1.000 44.23951 ? 90 GLU A OE2 1 +ATOM 1415 H H . GLU A 1 90 ? -2.55500 -21.14100 11.29800 1.000 45.80000 ? 90 GLU A H 1 +ATOM 1416 H HA . GLU A 1 90 ? -2.46700 -18.66700 12.35000 1.000 47.78000 ? 90 GLU A HA 1 +ATOM 1417 H HB2 . GLU A 1 90 ? -2.81000 -21.15800 13.67000 1.000 48.69000 ? 90 GLU A HB2 1 +ATOM 1418 H HB3 . GLU A 1 90 ? -2.71700 -19.77400 14.44600 1.000 48.69000 ? 90 GLU A HB3 1 +ATOM 1419 H HG2 . GLU A 1 90 ? -4.73700 -19.11400 13.48700 1.000 54.78000 ? 90 GLU A HG2 1 +ATOM 1420 H HG3 . GLU A 1 90 ? -4.83300 -20.51700 12.74600 1.000 54.78000 ? 90 GLU A HG3 1 +ATOM 1421 N N . GLY A 1 91 ? -0.21400 -18.59000 13.30800 1.000 36.71493 ? 91 GLY A N 1 +ATOM 1422 C CA . GLY A 1 91 ? 1.06600 -18.59600 13.97300 1.000 39.24155 ? 91 GLY A CA 1 +ATOM 1423 C C . GLY A 1 91 ? 0.87100 -18.20900 15.43300 1.000 38.99152 ? 91 GLY A C 1 +ATOM 1424 O O . GLY A 1 91 ? -0.22000 -17.82800 15.85600 1.000 36.62808 ? 91 GLY A O 1 +ATOM 1425 H H . GLY A 1 91 ? -0.59000 -17.81600 13.29400 1.000 44.07000 ? 91 GLY A H 1 +ATOM 1426 H HA2 . GLY A 1 91 ? 1.46300 -19.48000 13.92800 1.000 47.10000 ? 91 GLY A HA2 1 +ATOM 1427 H HA3 . GLY A 1 91 ? 1.66500 -17.96000 13.55200 1.000 47.10000 ? 91 GLY A HA3 1 +ATOM 1428 N N . CYS A 1 92 ? 1.94800 -18.31900 16.19900 1.000 37.69663 ? 92 CYS A N 1 +ATOM 1429 C CA . CYS A 1 92 ? 1.87600 -18.12000 17.63700 1.000 38.66516 ? 92 CYS A CA 1 +ATOM 1430 C C . CYS A 1 92 ? 3.21000 -17.56300 18.09400 1.000 39.82846 ? 92 CYS A C 1 +ATOM 1431 O O . CYS A 1 92 ? 4.25600 -18.08900 17.70700 1.000 37.92560 ? 92 CYS A O 1 +ATOM 1432 C CB . CYS A 1 92 ? 1.57800 -19.43500 18.36500 1.000 33.64351 ? 92 CYS A CB 1 +ATOM 1433 S SG . CYS A 1 92 ? 1.38900 -19.25400 20.18500 1.000 36.52017 ? 92 CYS A SG 1 +ATOM 1434 H H . CYS A 1 92 ? 2.73500 -18.50900 15.90800 1.000 45.25000 ? 92 CYS A H 1 +ATOM 1435 H HA . CYS A 1 92 ? 1.17100 -17.48900 17.85100 1.000 46.41000 ? 92 CYS A HA 1 +ATOM 1436 H HB2 . CYS A 1 92 ? 0.75000 -19.80200 18.01700 1.000 40.38000 ? 92 CYS A HB2 1 +ATOM 1437 H HB3 . CYS A 1 92 ? 2.30800 -20.05200 18.20300 1.000 40.38000 ? 92 CYS A HB3 1 +ATOM 1438 N N . LEU A 1 93 ? 3.17300 -16.50700 18.91000 1.000 35.62006 ? 93 LEU A N 1 +ATOM 1439 C CA . LEU A 1 93 ? 4.43000 -15.95300 19.41700 1.000 36.95706 ? 93 LEU A CA 1 +ATOM 1440 C C . LEU A 1 93 ? 5.16900 -16.95300 20.30000 1.000 41.26811 ? 93 LEU A C 1 +ATOM 1441 O O . LEU A 1 93 ? 6.38700 -16.83900 20.47300 1.000 40.00743 ? 93 LEU A O 1 +ATOM 1442 C CB . LEU A 1 93 ? 4.15400 -14.66900 20.17100 1.000 38.52567 ? 93 LEU A CB 1 +ATOM 1443 C CG . LEU A 1 93 ? 3.67200 -13.48600 19.29200 1.000 39.66265 ? 93 LEU A CG 1 +ATOM 1444 C CD1 . LEU A 1 93 ? 3.29900 -12.29900 20.16500 1.000 41.24968 ? 93 LEU A CD1 1 +ATOM 1445 C CD2 . LEU A 1 93 ? 4.76600 -13.13700 18.31900 1.000 40.18903 ? 93 LEU A CD2 1 +ATOM 1446 H H . LEU A 1 93 ? 2.45900 -16.10800 19.17600 1.000 42.76000 ? 93 LEU A H 1 +ATOM 1447 H HA . LEU A 1 93 ? 5.01400 -15.73300 18.67400 1.000 44.36000 ? 93 LEU A HA 1 +ATOM 1448 H HB2 . LEU A 1 93 ? 3.46400 -14.84200 20.83000 1.000 46.24000 ? 93 LEU A HB2 1 +ATOM 1449 H HB3 . LEU A 1 93 ? 4.97200 -14.39000 20.61200 1.000 46.24000 ? 93 LEU A HB3 1 +ATOM 1450 H HG . LEU A 1 93 ? 2.87700 -13.72700 18.79100 1.000 47.61000 ? 93 LEU A HG 1 +ATOM 1451 H HD11 . LEU A 1 93 ? 3.01900 -11.56500 19.59600 1.000 49.51000 ? 93 LEU A HD11 1 +ATOM 1452 H HD12 . LEU A 1 93 ? 2.57200 -12.55700 20.75300 1.000 49.51000 ? 93 LEU A HD12 1 +ATOM 1453 H HD13 . LEU A 1 93 ? 4.07200 -12.03700 20.68800 1.000 49.51000 ? 93 LEU A HD13 1 +ATOM 1454 H HD21 . LEU A 1 93 ? 4.53500 -12.31100 17.86600 1.000 48.24000 ? 93 LEU A HD21 1 +ATOM 1455 H HD22 . LEU A 1 93 ? 5.59800 -13.02600 18.80500 1.000 48.24000 ? 93 LEU A HD22 1 +ATOM 1456 H HD23 . LEU A 1 93 ? 4.85400 -13.85500 17.67200 1.000 48.24000 ? 93 LEU A HD23 1 +ATOM 1457 N N . SER A 1 94 ? 4.47400 -17.94400 20.85600 1.000 38.36249 ? 94 SER A N 1 +ATOM 1458 C CA . SER A 1 94 ? 5.15700 -19.00500 21.59700 1.000 38.91782 ? 94 SER A CA 1 +ATOM 1459 C C . SER A 1 94 ? 5.60300 -20.16400 20.71200 1.000 41.31285 ? 94 SER A C 1 +ATOM 1460 O O . SER A 1 94 ? 6.22800 -21.09800 21.21800 1.000 43.21308 ? 94 SER A O 1 +ATOM 1461 C CB . SER A 1 94 ? 4.25400 -19.54400 22.70000 1.000 42.31297 ? 94 SER A CB 1 +ATOM 1462 O OG . SER A 1 94 ? 3.91700 -18.51200 23.61200 1.000 38.77307 ? 94 SER A OG 1 +ATOM 1463 H H . SER A 1 94 ? 3.61900 -18.02300 20.81900 1.000 46.05000 ? 94 SER A H 1 +ATOM 1464 H HA . SER A 1 94 ? 5.94600 -18.62100 22.01100 1.000 46.71000 ? 94 SER A HA 1 +ATOM 1465 H HB2 . SER A 1 94 ? 3.44100 -19.89400 22.30200 1.000 50.79000 ? 94 SER A HB2 1 +ATOM 1466 H HB3 . SER A 1 94 ? 4.72000 -20.24900 23.17600 1.000 50.79000 ? 94 SER A HB3 1 +ATOM 1467 H HG . SER A 1 94 ? 4.61200 -18.21500 23.97900 1.000 46.54000 ? 94 SER A HG 1 +ATOM 1468 N N . VAL A 1 95 ? 5.27700 -20.14900 19.42200 1.000 40.04954 ? 95 VAL A N 1 +ATOM 1469 C CA . VAL A 1 95 ? 5.77600 -21.16400 18.49000 1.000 40.01006 ? 95 VAL A CA 1 +ATOM 1470 C C . VAL A 1 95 ? 6.37400 -20.38800 17.32000 1.000 43.19465 ? 95 VAL A C 1 +ATOM 1471 O O . VAL A 1 95 ? 5.90200 -20.51000 16.18200 1.000 40.61013 ? 95 VAL A O 1 +ATOM 1472 C CB . VAL A 1 95 ? 4.67600 -22.11400 18.00500 1.000 38.26248 ? 95 VAL A CB 1 +ATOM 1473 C CG1 . VAL A 1 95 ? 5.30000 -23.25700 17.19700 1.000 44.35005 ? 95 VAL A CG1 1 +ATOM 1474 C CG2 . VAL A 1 95 ? 3.85400 -22.65900 19.14600 1.000 38.14668 ? 95 VAL A CG2 1 +ATOM 1475 H H . VAL A 1 95 ? 4.76800 -19.56000 19.05800 1.000 48.07000 ? 95 VAL A H 1 +ATOM 1476 H HA . VAL A 1 95 ? 6.44300 -21.71700 18.92600 1.000 48.02000 ? 95 VAL A HA 1 +ATOM 1477 H HB . VAL A 1 95 ? 4.07000 -21.61400 17.43600 1.000 45.93000 ? 95 VAL A HB 1 +ATOM 1478 H HG11 . VAL A 1 95 ? 4.59400 -23.84200 16.88100 1.000 53.23000 ? 95 VAL A HG11 1 +ATOM 1479 H HG12 . VAL A 1 95 ? 5.78300 -22.88400 16.44300 1.000 53.23000 ? 95 VAL A HG12 1 +ATOM 1480 H HG13 . VAL A 1 95 ? 5.90800 -23.75200 17.76800 1.000 53.23000 ? 95 VAL A HG13 1 +ATOM 1481 H HG21 . VAL A 1 95 ? 3.25500 -23.34200 18.80600 1.000 45.79000 ? 95 VAL A HG21 1 +ATOM 1482 H HG22 . VAL A 1 95 ? 4.44900 -23.04100 19.81000 1.000 45.79000 ? 95 VAL A HG22 1 +ATOM 1483 H HG23 . VAL A 1 95 ? 3.34100 -21.93500 19.53900 1.000 45.79000 ? 95 VAL A HG23 1 +ATOM 1484 N N . PRO A 1 96 ? 7.40100 -19.58000 17.55400 1.000 46.68981 ? 96 PRO A N 1 +ATOM 1485 C CA . PRO A 1 96 ? 7.78700 -18.55700 16.56200 1.000 43.50522 ? 96 PRO A CA 1 +ATOM 1486 C C . PRO A 1 96 ? 8.32000 -19.16100 15.26900 1.000 45.84760 ? 96 PRO A C 1 +ATOM 1487 O O . PRO A 1 96 ? 9.17500 -20.04500 15.28400 1.000 44.33163 ? 96 PRO A O 1 +ATOM 1488 C CB . PRO A 1 96 ? 8.86600 -17.74800 17.29600 1.000 45.69758 ? 96 PRO A CB 1 +ATOM 1489 C CG . PRO A 1 96 ? 9.41800 -18.70600 18.32500 1.000 49.16905 ? 96 PRO A CG 1 +ATOM 1490 C CD . PRO A 1 96 ? 8.22300 -19.53000 18.77700 1.000 42.92883 ? 96 PRO A CD 1 +ATOM 1491 H HA . PRO A 1 96 ? 7.02300 -17.99700 16.35100 1.000 52.22000 ? 96 PRO A HA 1 +ATOM 1492 H HB2 . PRO A 1 96 ? 9.55500 -17.47000 16.67200 1.000 54.85000 ? 96 PRO A HB2 1 +ATOM 1493 H HB3 . PRO A 1 96 ? 8.46900 -16.97100 17.71900 1.000 54.85000 ? 96 PRO A HB3 1 +ATOM 1494 H HG2 . PRO A 1 96 ? 10.09500 -19.27000 17.92100 1.000 59.01000 ? 96 PRO A HG2 1 +ATOM 1495 H HG3 . PRO A 1 96 ? 9.79800 -18.21100 19.06700 1.000 59.01000 ? 96 PRO A HG3 1 +ATOM 1496 H HD2 . PRO A 1 96 ? 8.49500 -20.41900 19.05200 1.000 51.52000 ? 96 PRO A HD2 1 +ATOM 1497 H HD3 . PRO A 1 96 ? 7.74800 -19.09000 19.49900 1.000 51.52000 ? 96 PRO A HD3 1 +ATOM 1498 N N . GLY A 1 97 ? 7.81400 -18.65700 14.14300 1.000 48.08471 ? 97 GLY A N 1 +ATOM 1499 C CA . GLY A 1 97 ? 8.31600 -19.01800 12.83500 1.000 47.79520 ? 97 GLY A CA 1 +ATOM 1500 C C . GLY A 1 97 ? 7.53100 -20.08400 12.10800 1.000 50.80083 ? 97 GLY A C 1 +ATOM 1501 O O . GLY A 1 97 ? 7.92000 -20.46100 10.98900 1.000 46.05289 ? 97 GLY A O 1 +ATOM 1502 H H . GLY A 1 97 ? 7.16500 -18.09200 14.11900 1.000 57.71000 ? 97 GLY A H 1 +ATOM 1503 H HA2 . GLY A 1 97 ? 8.31900 -18.22400 12.27700 1.000 57.37000 ? 97 GLY A HA2 1 +ATOM 1504 H HA3 . GLY A 1 97 ? 9.22600 -19.33900 12.93300 1.000 57.37000 ? 97 GLY A HA3 1 +ATOM 1505 N N . PHE A 1 98 ? 6.44300 -20.58100 12.69100 1.000 38.41776 ? 98 PHE A N 1 +ATOM 1506 C CA . PHE A 1 98 ? 5.66600 -21.65600 12.10400 1.000 38.94414 ? 98 PHE A CA 1 +ATOM 1507 C C . PHE A 1 98 ? 4.23100 -21.19700 11.94900 1.000 42.22348 ? 98 PHE A C 1 +ATOM 1508 O O . PHE A 1 98 ? 3.68100 -20.54700 12.84300 1.000 44.73431 ? 98 PHE A O 1 +ATOM 1509 C CB . PHE A 1 98 ? 5.76000 -22.92200 12.96800 1.000 39.86004 ? 98 PHE A CB 1 +ATOM 1510 C CG . PHE A 1 98 ? 7.17100 -23.41600 13.13500 1.000 39.76003 ? 98 PHE A CG 1 +ATOM 1511 C CD1 . PHE A 1 98 ? 7.96000 -22.94300 14.16500 1.000 43.27887 ? 98 PHE A CD1 1 +ATOM 1512 C CD2 . PHE A 1 98 ? 7.70900 -24.31800 12.24400 1.000 46.41083 ? 98 PHE A CD2 1 +ATOM 1513 C CE1 . PHE A 1 98 ? 9.26200 -23.39000 14.32000 1.000 48.36896 ? 98 PHE A CE1 1 +ATOM 1514 C CE2 . PHE A 1 98 ? 9.00900 -24.77300 12.38900 1.000 49.18221 ? 98 PHE A CE2 1 +ATOM 1515 C CZ . PHE A 1 98 ? 9.78600 -24.30000 13.43600 1.000 47.59518 ? 98 PHE A CZ 1 +ATOM 1516 H H . PHE A 1 98 ? 6.13300 -20.30200 13.44400 1.000 46.11000 ? 98 PHE A H 1 +ATOM 1517 H HA . PHE A 1 98 ? 5.99800 -21.88100 11.22100 1.000 46.74000 ? 98 PHE A HA 1 +ATOM 1518 H HB2 . PHE A 1 98 ? 5.40500 -22.72900 13.84900 1.000 47.84000 ? 98 PHE A HB2 1 +ATOM 1519 H HB3 . PHE A 1 98 ? 5.24400 -23.62800 12.54900 1.000 47.84000 ? 98 PHE A HB3 1 +ATOM 1520 H HD1 . PHE A 1 98 ? 7.61400 -22.31800 14.76000 1.000 51.95000 ? 98 PHE A HD1 1 +ATOM 1521 H HD2 . PHE A 1 98 ? 7.19200 -24.62500 11.53500 1.000 55.71000 ? 98 PHE A HD2 1 +ATOM 1522 H HE1 . PHE A 1 98 ? 9.78100 -23.07400 15.02400 1.000 58.05000 ? 98 PHE A HE1 1 +ATOM 1523 H HE2 . PHE A 1 98 ? 9.35900 -25.39200 11.78900 1.000 59.03000 ? 98 PHE A HE2 1 +ATOM 1524 H HZ . PHE A 1 98 ? 10.66100 -24.59900 13.53800 1.000 57.13000 ? 98 PHE A HZ 1 +ATOM 1525 N N . TYR A 1 99 ? 3.64800 -21.50500 10.79500 1.000 40.11797 ? 99 TYR A N 1 +ATOM 1526 C CA . TYR A 1 99 ? 2.30300 -21.05000 10.45200 1.000 40.63908 ? 99 TYR A CA 1 +ATOM 1527 C C . TYR A 1 99 ? 1.59200 -22.24400 9.83200 1.000 41.04966 ? 99 TYR A C 1 +ATOM 1528 O O . TYR A 1 99 ? 2.02600 -22.74400 8.79500 1.000 40.96807 ? 99 TYR A O 1 +ATOM 1529 C CB . TYR A 1 99 ? 2.35300 -19.85800 9.48300 1.000 45.93972 ? 99 TYR A CB 1 +ATOM 1530 C CG . TYR A 1 99 ? 3.09500 -18.65000 10.04000 1.000 41.19178 ? 99 TYR A CG 1 +ATOM 1531 C CD1 . TYR A 1 99 ? 2.44200 -17.72300 10.83800 1.000 39.25997 ? 99 TYR A CD1 1 +ATOM 1532 C CD2 . TYR A 1 99 ? 4.44800 -18.46700 9.78800 1.000 42.68670 ? 99 TYR A CD2 1 +ATOM 1533 C CE1 . TYR A 1 99 ? 3.10600 -16.62700 11.34900 1.000 46.02920 ? 99 TYR A CE1 1 +ATOM 1534 C CE2 . TYR A 1 99 ? 5.13200 -17.37500 10.32000 1.000 45.66074 ? 99 TYR A CE2 1 +ATOM 1535 C CZ . TYR A 1 99 ? 4.44700 -16.46100 11.09400 1.000 44.68430 ? 99 TYR A CZ 1 +ATOM 1536 O OH . TYR A 1 99 ? 5.10300 -15.38000 11.62500 1.000 51.27457 ? 99 TYR A OH 1 +ATOM 1537 H H . TYR A 1 99 ? 4.01600 -21.98400 10.18300 1.000 48.15000 ? 99 TYR A H 1 +ATOM 1538 H HA . TYR A 1 99 ? 1.81700 -20.75900 11.23900 1.000 48.78000 ? 99 TYR A HA 1 +ATOM 1539 H HB2 . TYR A 1 99 ? 2.80500 -20.13500 8.67000 1.000 55.14000 ? 99 TYR A HB2 1 +ATOM 1540 H HB3 . TYR A 1 99 ? 1.44600 -19.58200 9.28000 1.000 55.14000 ? 99 TYR A HB3 1 +ATOM 1541 H HD1 . TYR A 1 99 ? 1.54100 -17.84300 11.03300 1.000 47.13000 ? 99 TYR A HD1 1 +ATOM 1542 H HD2 . TYR A 1 99 ? 4.90400 -19.08100 9.25800 1.000 51.24000 ? 99 TYR A HD2 1 +ATOM 1543 H HE1 . TYR A 1 99 ? 2.64700 -16.00200 11.86400 1.000 55.25000 ? 99 TYR A HE1 1 +ATOM 1544 H HE2 . TYR A 1 99 ? 6.04000 -17.26300 10.15400 1.000 54.80000 ? 99 TYR A HE2 1 +ATOM 1545 H HH . TYR A 1 99 ? 4.57900 -14.93300 12.10600 1.000 61.54000 ? 99 TYR A HH 1 +ATOM 1546 N N . GLU A 1 100 ? 0.52800 -22.71700 10.47500 1.000 39.58633 ? 100 GLU A N 1 +ATOM 1547 C CA . GLU A 1 100 ? -0.13300 -23.93500 10.04000 1.000 41.03650 ? 100 GLU A CA 1 +ATOM 1548 C C . GLU A 1 100 ? -1.64200 -23.79100 10.14200 1.000 39.15996 ? 100 GLU A C 1 +ATOM 1549 O O . GLU A 1 100 ? -2.17000 -23.10900 11.02900 1.000 38.60726 ? 100 GLU A O 1 +ATOM 1550 C CB . GLU A 1 100 ? 0.33000 -25.15100 10.87800 1.000 44.43954 ? 100 GLU A CB 1 +ATOM 1551 C CG . GLU A 1 100 ? 1.82400 -25.41200 10.78900 1.000 39.40999 ? 100 GLU A CG 1 +ATOM 1552 C CD . GLU A 1 100 ? 2.22400 -26.06200 9.47400 1.000 54.70656 ? 100 GLU A CD 1 +ATOM 1553 O OE1 . GLU A 1 100 ? 1.33400 -26.63600 8.79600 1.000 54.06175 ? 100 GLU A OE1 1 +ATOM 1554 O OE2 . GLU A 1 100 ? 3.42000 -25.98800 9.12200 1.000 56.53046 ? 100 GLU A OE2 1 +ATOM 1555 H H . GLU A 1 100 ? 0.17300 -22.34700 11.16500 1.000 47.52000 ? 100 GLU A H 1 +ATOM 1556 H HA . GLU A 1 100 ? 0.08000 -24.09000 9.10700 1.000 49.26000 ? 100 GLU A HA 1 +ATOM 1557 H HB2 . GLU A 1 100 ? 0.11100 -24.99100 11.80900 1.000 53.34000 ? 100 GLU A HB2 1 +ATOM 1558 H HB3 . GLU A 1 100 ? -0.13100 -25.94300 10.56000 1.000 53.34000 ? 100 GLU A HB3 1 +ATOM 1559 H HG2 . GLU A 1 100 ? 2.29800 -24.56900 10.86500 1.000 47.30000 ? 100 GLU A HG2 1 +ATOM 1560 H HG3 . GLU A 1 100 ? 2.08500 -26.00600 11.51000 1.000 47.30000 ? 100 GLU A HG3 1 +ATOM 1561 N N . ASN A 1 101 ? -2.33400 -24.46500 9.23400 1.000 41.11809 ? 101 ASN A N 1 +ATOM 1562 C CA . ASN A 1 101 ? -3.78900 -24.46100 9.24200 1.000 40.68646 ? 101 ASN A CA 1 +ATOM 1563 C C . ASN A 1 101 ? -4.34600 -25.22000 10.44200 1.000 39.71529 ? 101 ASN A C 1 +ATOM 1564 O O . ASN A 1 101 ? -3.90700 -26.34200 10.74500 1.000 43.07622 ? 101 ASN A O 1 +ATOM 1565 C CB . ASN A 1 101 ? -4.30500 -25.07600 7.94600 1.000 45.79233 ? 101 ASN A CB 1 +ATOM 1566 C CG . ASN A 1 101 ? -4.22400 -24.10800 6.78300 1.000 47.52675 ? 101 ASN A CG 1 +ATOM 1567 O OD1 . ASN A 1 101 ? -4.72600 -22.98600 6.86700 1.000 48.89797 ? 101 ASN A OD1 1 +ATOM 1568 N ND2 . ASN A 1 101 ? -3.56800 -24.51900 5.71300 1.000 52.01413 ? 101 ASN A ND2 1 +ATOM 1569 H H . ASN A 1 101 ? -1.98500 -24.93400 8.60300 1.000 49.35000 ? 101 ASN A H 1 +ATOM 1570 H HA . ASN A 1 101 ? -4.10200 -23.54600 9.31000 1.000 48.83000 ? 101 ASN A HA 1 +ATOM 1571 H HB2 . ASN A 1 101 ? -3.77000 -25.85600 7.72800 1.000 54.96000 ? 101 ASN A HB2 1 +ATOM 1572 H HB3 . ASN A 1 101 ? -5.23300 -25.33200 8.06200 1.000 54.96000 ? 101 ASN A HB3 1 +ATOM 1573 H HD21 . ASN A 1 101 ? -3.49500 -24.00400 5.02800 1.000 62.43000 ? 101 ASN A HD21 1 +ATOM 1574 H HD22 . ASN A 1 101 ? -3.21300 -25.30300 5.70100 1.000 62.43000 ? 101 ASN A HD22 1 +ATOM 1575 N N . VAL A 1 102 ? -5.32100 -24.60500 11.09900 1.000 36.84652 ? 102 VAL A N 1 +ATOM 1576 C CA . VAL A 1 102 ? -6.03100 -25.16900 12.23800 1.000 43.28677 ? 102 VAL A CA 1 +ATOM 1577 C C . VAL A 1 102 ? -7.52000 -25.02500 11.94900 1.000 47.22935 ? 102 VAL A C 1 +ATOM 1578 O O . VAL A 1 102 ? -7.96100 -23.96200 11.50400 1.000 41.61552 ? 102 VAL A O 1 +ATOM 1579 C CB . VAL A 1 102 ? -5.67900 -24.45200 13.56200 1.000 43.97106 ? 102 VAL A CB 1 +ATOM 1580 C CG1 . VAL A 1 102 ? -6.36100 -25.14800 14.75300 1.000 44.17372 ? 102 VAL A CG1 1 +ATOM 1581 C CG2 . VAL A 1 102 ? -4.15600 -24.37700 13.76200 1.000 43.05779 ? 102 VAL A CG2 1 +ATOM 1582 H H . VAL A 1 102 ? -5.60400 -23.81900 10.89300 1.000 44.23000 ? 102 VAL A H 1 +ATOM 1583 H HA . VAL A 1 102 ? -5.79900 -26.10600 12.33700 1.000 51.96000 ? 102 VAL A HA 1 +ATOM 1584 H HB . VAL A 1 102 ? -6.01000 -23.54200 13.51800 1.000 52.78000 ? 102 VAL A HB 1 +ATOM 1585 H HG11 . VAL A 1 102 ? -6.01800 -24.77100 15.57800 1.000 53.02000 ? 102 VAL A HG11 1 +ATOM 1586 H HG12 . VAL A 1 102 ? -7.31900 -25.00400 14.69600 1.000 53.02000 ? 102 VAL A HG12 1 +ATOM 1587 H HG13 . VAL A 1 102 ? -6.16700 -26.09800 14.71700 1.000 53.02000 ? 102 VAL A HG13 1 +ATOM 1588 H HG21 . VAL A 1 102 ? -3.97100 -23.99400 14.63400 1.000 51.68000 ? 102 VAL A HG21 1 +ATOM 1589 H HG22 . VAL A 1 102 ? -3.78600 -25.27200 13.70900 1.000 51.68000 ? 102 VAL A HG22 1 +ATOM 1590 H HG23 . VAL A 1 102 ? -3.77300 -23.81800 13.06800 1.000 51.68000 ? 102 VAL A HG23 1 +ATOM 1591 N N . ASP A 1 103 ? -8.29400 -26.07700 12.23000 1.000 44.86327 ? 103 ASP A N 1 +ATOM 1592 C CA . ASP A 1 103 ? -9.73100 -26.06300 11.99300 1.000 46.37925 ? 103 ASP A CA 1 +ATOM 1593 C C . ASP A 1 103 ? -10.44800 -25.64600 13.26500 1.000 44.06581 ? 103 ASP A C 1 +ATOM 1594 O O . ASP A 1 103 ? -10.22100 -26.22800 14.32800 1.000 45.47651 ? 103 ASP A O 1 +ATOM 1595 C CB . ASP A 1 103 ? -10.22100 -27.44900 11.54300 1.000 48.02944 ? 103 ASP A CB 1 +ATOM 1596 C CG . ASP A 1 103 ? -9.90900 -27.74100 10.07500 1.000 56.98841 ? 103 ASP A CG 1 +ATOM 1597 O OD1 . ASP A 1 103 ? -9.63400 -26.79700 9.30100 1.000 59.19657 ? 103 ASP A OD1 1 +ATOM 1598 O OD2 . ASP A 1 103 ? -9.95500 -28.92200 9.69300 1.000 69.77679 ? 103 ASP A OD2 1 +ATOM 1599 H H . ASP A 1 103 ? -8.00200 -26.81600 12.56200 1.000 53.85000 ? 103 ASP A H 1 +ATOM 1600 H HA . ASP A 1 103 ? -9.93800 -25.42500 11.29200 1.000 55.67000 ? 103 ASP A HA 1 +ATOM 1601 H HB2 . ASP A 1 103 ? -9.78600 -28.12800 12.08300 1.000 57.65000 ? 103 ASP A HB2 1 +ATOM 1602 H HB3 . ASP A 1 103 ? -11.18200 -27.49800 11.66100 1.000 57.65000 ? 103 ASP A HB3 1 +ATOM 1603 N N . ARG A 1 104 ? -11.28200 -24.61400 13.16600 1.000 44.67115 ? 104 ARG A N 1 +ATOM 1604 C CA . ARG A 1 104 ? -11.99800 -24.09500 14.32100 1.000 41.83660 ? 104 ARG A CA 1 +ATOM 1605 C C . ARG A 1 104 ? -13.36300 -23.59100 13.87800 1.000 50.95874 ? 104 ARG A C 1 +ATOM 1606 O O . ARG A 1 104 ? -13.51000 -23.13400 12.73700 1.000 47.93996 ? 104 ARG A O 1 +ATOM 1607 C CB . ARG A 1 104 ? -11.25500 -22.93700 15.00300 1.000 43.63418 ? 104 ARG A CB 1 +ATOM 1608 C CG . ARG A 1 104 ? -9.88400 -23.24900 15.54800 1.000 43.83157 ? 104 ARG A CG 1 +ATOM 1609 C CD . ARG A 1 104 ? -9.36300 -22.03100 16.32900 1.000 41.35233 ? 104 ARG A CD 1 +ATOM 1610 N NE . ARG A 1 104 ? -7.93000 -22.09100 16.58200 1.000 40.33642 ? 104 ARG A NE 1 +ATOM 1611 C CZ . ARG A 1 104 ? -7.38200 -22.53000 17.70900 1.000 42.55247 ? 104 ARG A CZ 1 +ATOM 1612 N NH1 . ARG A 1 104 ? -8.11700 -23.03000 18.69400 1.000 38.29670 ? 104 ARG A NH1 1 +ATOM 1613 N NH2 . ARG A 1 104 ? -6.06400 -22.45700 17.85900 1.000 43.59207 ? 104 ARG A NH2 1 +ATOM 1614 H H . ARG A 1 104 ? -11.44900 -24.19600 12.43300 1.000 53.62000 ? 104 ARG A H 1 +ATOM 1615 H HA . ARG A 1 104 ? -12.10900 -24.82000 14.95600 1.000 50.21000 ? 104 ARG A HA 1 +ATOM 1616 H HB2 . ARG A 1 104 ? -11.14800 -22.22400 14.35400 1.000 52.38000 ? 104 ARG A HB2 1 +ATOM 1617 H HB3 . ARG A 1 104 ? -11.79400 -22.63000 15.74800 1.000 52.38000 ? 104 ARG A HB3 1 +ATOM 1618 H HG2 . ARG A 1 104 ? -9.93200 -24.01000 16.14800 1.000 52.61000 ? 104 ARG A HG2 1 +ATOM 1619 H HG3 . ARG A 1 104 ? -9.27300 -23.44000 14.81900 1.000 52.61000 ? 104 ARG A HG3 1 +ATOM 1620 H HD2 . ARG A 1 104 ? -9.54300 -21.22700 15.81700 1.000 49.63000 ? 104 ARG A HD2 1 +ATOM 1621 H HD3 . ARG A 1 104 ? -9.81600 -21.98800 17.18600 1.000 49.63000 ? 104 ARG A HD3 1 +ATOM 1622 H HE . ARG A 1 104 ? -7.40100 -21.82400 15.95900 1.000 48.42000 ? 104 ARG A HE 1 +ATOM 1623 H HH11 . ARG A 1 104 ? -8.97200 -23.07500 18.61100 1.000 45.97000 ? 104 ARG A HH11 1 +ATOM 1624 H HH12 . ARG A 1 104 ? -7.73900 -23.30800 19.41400 1.000 45.97000 ? 104 ARG A HH12 1 +ATOM 1625 H HH21 . ARG A 1 104 ? -5.57700 -22.12800 17.23100 1.000 52.32000 ? 104 ARG A HH21 1 +ATOM 1626 H HH22 . ARG A 1 104 ? -5.69700 -22.73800 18.58400 1.000 52.32000 ? 104 ARG A HH22 1 +ATOM 1627 N N . PRO A 1 105 ? -14.36200 -23.61900 14.76000 1.000 47.84258 ? 105 PRO A N 1 +ATOM 1628 C CA . PRO A 1 105 ? -15.60100 -22.87200 14.49200 1.000 58.24909 ? 105 PRO A CA 1 +ATOM 1629 C C . PRO A 1 105 ? -15.27800 -21.39900 14.33700 1.000 55.81459 ? 105 PRO A C 1 +ATOM 1630 O O . PRO A 1 105 ? -14.50200 -20.84600 15.10900 1.000 50.22707 ? 105 PRO A O 1 +ATOM 1631 C CB . PRO A 1 105 ? -16.46100 -23.11300 15.74000 1.000 53.20901 ? 105 PRO A CB 1 +ATOM 1632 C CG . PRO A 1 105 ? -15.80000 -24.20900 16.49800 1.000 57.67270 ? 105 PRO A CG 1 +ATOM 1633 C CD . PRO A 1 105 ? -14.34000 -24.19000 16.12000 1.000 50.13759 ? 105 PRO A CD 1 +ATOM 1634 H HA . PRO A 1 105 ? -16.06200 -23.22000 13.71200 1.000 69.91000 ? 105 PRO A HA 1 +ATOM 1635 H HB2 . PRO A 1 105 ? -16.49600 -22.30200 16.27100 1.000 63.86000 ? 105 PRO A HB2 1 +ATOM 1636 H HB3 . PRO A 1 105 ? -17.35600 -23.37300 15.47200 1.000 63.86000 ? 105 PRO A HB3 1 +ATOM 1637 H HG2 . PRO A 1 105 ? -15.90700 -24.05300 17.44900 1.000 69.22000 ? 105 PRO A HG2 1 +ATOM 1638 H HG3 . PRO A 1 105 ? -16.20200 -25.05800 16.25400 1.000 69.22000 ? 105 PRO A HG3 1 +ATOM 1639 H HD2 . PRO A 1 105 ? -13.83200 -23.62600 16.72500 1.000 60.18000 ? 105 PRO A HD2 1 +ATOM 1640 H HD3 . PRO A 1 105 ? -13.97100 -25.08700 16.11400 1.000 60.18000 ? 105 PRO A HD3 1 +ATOM 1641 N N . GLN A 1 106 ? -15.88400 -20.75300 13.34700 1.000 53.31429 ? 106 GLN A N 1 +ATOM 1642 C CA . GLN A 1 106 ? -15.67500 -19.31900 13.17700 1.000 56.06198 ? 106 GLN A CA 1 +ATOM 1643 C C . GLN A 1 106 ? -16.91200 -18.51000 13.54000 1.000 48.87691 ? 106 GLN A C 1 +ATOM 1644 O O . GLN A 1 106 ? -17.06000 -17.37600 13.08800 1.000 50.55606 ? 106 GLN A O 1 +ATOM 1645 C CB . GLN A 1 106 ? -15.19900 -19.00500 11.76000 1.000 59.03076 ? 106 GLN A CB 1 +ATOM 1646 C CG . GLN A 1 106 ? -13.69800 -19.24100 11.62000 1.000 55.40138 ? 106 GLN A CG 1 +ATOM 1647 C CD . GLN A 1 106 ? -13.09900 -18.66800 10.35200 1.000 63.91819 ? 106 GLN A CD 1 +ATOM 1648 O OE1 . GLN A 1 106 ? -13.68800 -17.79300 9.70500 1.000 56.56994 ? 106 GLN A OE1 1 +ATOM 1649 N NE2 . GLN A 1 106 ? -11.91600 -19.16700 9.98300 1.000 49.97178 ? 106 GLN A NE2 1 +ATOM 1650 H H . GLN A 1 106 ? -16.41100 -21.11500 12.77300 1.000 63.99000 ? 106 GLN A H 1 +ATOM 1651 H HA . GLN A 1 106 ? -14.96700 -19.03900 13.77800 1.000 67.28000 ? 106 GLN A HA 1 +ATOM 1652 H HB2 . GLN A 1 106 ? -15.66100 -19.58000 11.13000 1.000 70.85000 ? 106 GLN A HB2 1 +ATOM 1653 H HB3 . GLN A 1 106 ? -15.38400 -18.07400 11.55700 1.000 70.85000 ? 106 GLN A HB3 1 +ATOM 1654 H HG2 . GLN A 1 106 ? -13.24600 -18.82700 12.37200 1.000 66.49000 ? 106 GLN A HG2 1 +ATOM 1655 H HG3 . GLN A 1 106 ? -13.53200 -20.19600 11.61800 1.000 66.49000 ? 106 GLN A HG3 1 +ATOM 1656 H HE21 . GLN A 1 106 ? -11.53900 -19.77800 10.45800 1.000 59.98000 ? 106 GLN A HE21 1 +ATOM 1657 H HE22 . GLN A 1 106 ? -11.53000 -18.87800 9.27000 1.000 59.98000 ? 106 GLN A HE22 1 +ATOM 1658 N N . LYS A 1 107 ? -17.78100 -19.06100 14.38400 1.000 50.86399 ? 107 LYS A N 1 +ATOM 1659 C CA . LYS A 1 107 ? -18.81500 -18.28500 15.05800 1.000 52.36681 ? 107 LYS A CA 1 +ATOM 1660 C C . LYS A 1 107 ? -18.93300 -18.79600 16.48500 1.000 51.26404 ? 107 LYS A C 1 +ATOM 1661 O O . LYS A 1 107 ? -19.25000 -19.97100 16.70100 1.000 56.86471 ? 107 LYS A O 1 +ATOM 1662 C CB . LYS A 1 107 ? -20.15500 -18.39100 14.32700 1.000 62.19430 ? 107 LYS A CB 1 +ATOM 1663 C CG . LYS A 1 107 ? -21.21700 -17.43400 14.84000 1.000 68.67139 ? 107 LYS A CG 1 +ATOM 1664 C CD . LYS A 1 107 ? -22.36800 -17.33100 13.84900 1.000 85.34444 ? 107 LYS A CD 1 +ATOM 1665 C CE . LYS A 1 107 ? -23.41300 -16.33600 14.31600 1.000 84.96545 ? 107 LYS A CE 1 +ATOM 1666 N NZ . LYS A 1 107 ? -24.06500 -15.65100 13.16100 1.000 99.99357 ? 107 LYS A NZ 1 +ATOM 1667 H H . LYS A 1 107 ? -17.79200 -19.89800 14.58400 1.000 61.05000 ? 107 LYS A H 1 +ATOM 1668 H HA . LYS A 1 107 ? -18.56200 -17.34900 15.08400 1.000 62.85000 ? 107 LYS A HA 1 +ATOM 1669 H HB2 . LYS A 1 107 ? -20.01200 -18.19700 13.38700 1.000 74.64000 ? 107 LYS A HB2 1 +ATOM 1670 H HB3 . LYS A 1 107 ? -20.49500 -19.29300 14.43100 1.000 74.64000 ? 107 LYS A HB3 1 +ATOM 1671 H HG2 . LYS A 1 107 ? -21.56500 -17.75800 15.68500 1.000 82.42000 ? 107 LYS A HG2 1 +ATOM 1672 H HG3 . LYS A 1 107 ? -20.83100 -16.55200 14.95700 1.000 82.42000 ? 107 LYS A HG3 1 +ATOM 1673 H HD2 . LYS A 1 107 ? -22.02800 -17.03600 12.99000 1.000 102.42000 ? 107 LYS A HD2 1 +ATOM 1674 H HD3 . LYS A 1 107 ? -22.79200 -18.19900 13.75700 1.000 102.42000 ? 107 LYS A HD3 1 +ATOM 1675 H HE2 . LYS A 1 107 ? -24.09700 -16.80200 14.82200 1.000 101.97000 ? 107 LYS A HE2 1 +ATOM 1676 H HE3 . LYS A 1 107 ? -22.99000 -15.66300 14.87100 1.000 101.97000 ? 107 LYS A HE3 1 +ATOM 1677 H HZ1 . LYS A 1 107 ? -24.66900 -15.06700 13.45500 1.000 120.00000 ? 107 LYS A HZ1 1 +ATOM 1678 H HZ2 . LYS A 1 107 ? -23.45500 -15.21800 12.68000 1.000 120.00000 ? 107 LYS A HZ2 1 +ATOM 1679 H HZ3 . LYS A 1 107 ? -24.47100 -16.25000 12.64200 1.000 120.00000 ? 107 LYS A HZ3 1 +ATOM 1680 N N . VAL A 1 108 ? -18.67300 -17.91900 17.46400 1.000 51.70094 ? 108 VAL A N 1 +ATOM 1681 C CA . VAL A 1 108 ? -18.70100 -18.29600 18.86900 1.000 50.96927 ? 108 VAL A CA 1 +ATOM 1682 C C . VAL A 1 108 ? -19.29200 -17.16400 19.70000 1.000 53.84593 ? 108 VAL A C 1 +ATOM 1683 O O . VAL A 1 108 ? -19.30700 -16.00100 19.29000 1.000 55.04607 ? 108 VAL A O 1 +ATOM 1684 C CB . VAL A 1 108 ? -17.30000 -18.64500 19.42000 1.000 52.21152 ? 108 VAL A CB 1 +ATOM 1685 C CG1 . VAL A 1 108 ? -16.65900 -19.75500 18.60400 1.000 51.75884 ? 108 VAL A CG1 1 +ATOM 1686 C CG2 . VAL A 1 108 ? -16.40900 -17.39400 19.44500 1.000 48.91902 ? 108 VAL A CG2 1 +ATOM 1687 H H . VAL A 1 108 ? -18.47600 -17.09300 17.33000 1.000 62.05000 ? 108 VAL A H 1 +ATOM 1688 H HA . VAL A 1 108 ? -19.27800 -19.07100 18.95500 1.000 61.17000 ? 108 VAL A HA 1 +ATOM 1689 H HB . VAL A 1 108 ? -17.39200 -18.96700 20.33000 1.000 62.66000 ? 108 VAL A HB 1 +ATOM 1690 H HG11 . VAL A 1 108 ? -15.77400 -19.93500 18.95700 1.000 62.12000 ? 108 VAL A HG11 1 +ATOM 1691 H HG12 . VAL A 1 108 ? -17.20900 -20.55100 18.66800 1.000 62.12000 ? 108 VAL A HG12 1 +ATOM 1692 H HG13 . VAL A 1 108 ? -16.59500 -19.47000 17.67900 1.000 62.12000 ? 108 VAL A HG13 1 +ATOM 1693 H HG21 . VAL A 1 108 ? -15.48800 -17.66500 19.58400 1.000 58.71000 ? 108 VAL A HG21 1 +ATOM 1694 H HG22 . VAL A 1 108 ? -16.49200 -16.93000 18.59700 1.000 58.71000 ? 108 VAL A HG22 1 +ATOM 1695 H HG23 . VAL A 1 108 ? -16.69700 -16.81600 20.16800 1.000 58.71000 ? 108 VAL A HG23 1 +ATOM 1696 N N . ARG A 1 109 ? -19.78100 -17.52700 20.88600 1.000 49.80071 ? 109 ARG A N 1 +ATOM 1697 C CA . ARG A 1 109 ? -20.16700 -16.55900 21.90400 1.000 54.53812 ? 109 ARG A CA 1 +ATOM 1698 C C . ARG A 1 109 ? -19.04700 -16.45100 22.93100 1.000 52.30890 ? 109 ARG A C 1 +ATOM 1699 O O . ARG A 1 109 ? -18.59500 -17.46900 23.46500 1.000 51.52460 ? 109 ARG A O 1 +ATOM 1700 C CB . ARG A 1 109 ? -21.46800 -16.95400 22.61400 1.000 59.87297 ? 109 ARG A CB 1 +ATOM 1701 C CG . ARG A 1 109 ? -21.78800 -16.04300 23.80400 1.000 63.08388 ? 109 ARG A CG 1 +ATOM 1702 C CD . ARG A 1 109 ? -23.11400 -16.37300 24.49000 1.000 72.30341 ? 109 ARG A CD 1 +ATOM 1703 N NE . ARG A 1 109 ? -24.24200 -16.23900 23.57800 1.000 70.40844 ? 109 ARG A NE 1 +ATOM 1704 C CZ . ARG A 1 109 ? -24.93800 -17.25800 23.09400 1.000 74.16152 ? 109 ARG A CZ 1 +ATOM 1705 N NH1 . ARG A 1 109 ? -24.69500 -18.50200 23.47300 1.000 79.03842 ? 109 ARG A NH1 1 +ATOM 1706 N NH2 . ARG A 1 109 ? -25.90200 -17.02000 22.21100 1.000 79.74114 ? 109 ARG A NH2 1 +ATOM 1707 H H . ARG A 1 109 ? -19.90000 -18.34400 21.12600 1.000 59.77000 ? 109 ARG A H 1 +ATOM 1708 H HA . ARG A 1 109 ? -20.31000 -15.69900 21.47900 1.000 65.46000 ? 109 ARG A HA 1 +ATOM 1709 H HB2 . ARG A 1 109 ? -22.20200 -16.89600 21.98300 1.000 71.86000 ? 109 ARG A HB2 1 +ATOM 1710 H HB3 . ARG A 1 109 ? -21.38500 -17.86300 22.94300 1.000 71.86000 ? 109 ARG A HB3 1 +ATOM 1711 H HG2 . ARG A 1 109 ? -21.08300 -16.13200 24.46500 1.000 75.71000 ? 109 ARG A HG2 1 +ATOM 1712 H HG3 . ARG A 1 109 ? -21.83700 -15.12600 23.49200 1.000 75.71000 ? 109 ARG A HG3 1 +ATOM 1713 H HD2 . ARG A 1 109 ? -23.09000 -17.28900 24.81100 1.000 86.77000 ? 109 ARG A HD2 1 +ATOM 1714 H HD3 . ARG A 1 109 ? -23.25000 -15.76500 25.23300 1.000 86.77000 ? 109 ARG A HD3 1 +ATOM 1715 H HE . ARG A 1 109 ? -24.47100 -15.44600 23.33800 1.000 84.50000 ? 109 ARG A HE 1 +ATOM 1716 H HH11 . ARG A 1 109 ? -24.07400 -18.66400 24.04600 1.000 94.86000 ? 109 ARG A HH11 1 +ATOM 1717 H HH12 . ARG A 1 109 ? -25.15800 -19.14900 23.14700 1.000 94.86000 ? 109 ARG A HH12 1 +ATOM 1718 H HH21 . ARG A 1 109 ? -26.06800 -16.21300 21.96200 1.000 95.70000 ? 109 ARG A HH21 1 +ATOM 1719 H HH22 . ARG A 1 109 ? -26.36100 -17.67200 21.88900 1.000 95.70000 ? 109 ARG A HH22 1 +ATOM 1720 N N . ILE A 1 110 ? -18.62200 -15.22100 23.21300 1.000 51.81674 ? 110 ILE A N 1 +ATOM 1721 C CA . ILE A 1 110 ? -17.61400 -14.93100 24.22400 1.000 51.06928 ? 110 ILE A CA 1 +ATOM 1722 C C . ILE A 1 110 ? -18.32400 -14.42200 25.47300 1.000 51.01664 ? 110 ILE A C 1 +ATOM 1723 O O . ILE A 1 110 ? -19.20100 -13.55700 25.37900 1.000 51.94044 ? 110 ILE A O 1 +ATOM 1724 C CB . ILE A 1 110 ? -16.61400 -13.87500 23.71900 1.000 47.26356 ? 110 ILE A CB 1 +ATOM 1725 C CG1 . ILE A 1 110 ? -16.00400 -14.28300 22.38300 1.000 50.85083 ? 110 ILE A CG1 1 +ATOM 1726 C CG2 . ILE A 1 110 ? -15.50800 -13.63900 24.75400 1.000 55.98566 ? 110 ILE A CG2 1 +ATOM 1727 C CD1 . ILE A 1 110 ? -15.08300 -13.21900 21.78200 1.000 49.99810 ? 110 ILE A CD1 1 +ATOM 1728 H H . ILE A 1 110 ? -18.91400 -14.51600 22.81600 1.000 62.19000 ? 110 ILE A H 1 +ATOM 1729 H HA . ILE A 1 110 ? -17.13300 -15.74400 24.44100 1.000 61.30000 ? 110 ILE A HA 1 +ATOM 1730 H HB . ILE A 1 110 ? -17.10600 -13.04900 23.58700 1.000 56.73000 ? 110 ILE A HB 1 +ATOM 1731 H HG12 . ILE A 1 110 ? -15.48100 -15.09000 22.51200 1.000 61.03000 ? 110 ILE A HG12 1 +ATOM 1732 H HG13 . ILE A 1 110 ? -16.72000 -14.44900 21.75000 1.000 61.03000 ? 110 ILE A HG13 1 +ATOM 1733 H HG21 . ILE A 1 110 ? -14.90200 -12.95900 24.41900 1.000 67.19000 ? 110 ILE A HG21 1 +ATOM 1734 H HG22 . ILE A 1 110 ? -15.91100 -13.34200 25.58500 1.000 67.19000 ? 110 ILE A HG22 1 +ATOM 1735 H HG23 . ILE A 1 110 ? -15.02700 -14.46900 24.89700 1.000 67.19000 ? 110 ILE A HG23 1 +ATOM 1736 H HD11 . ILE A 1 110 ? -14.86800 -13.46700 20.86900 1.000 60.01000 ? 110 ILE A HD11 1 +ATOM 1737 H HD12 . ILE A 1 110 ? -15.53900 -12.36300 21.79300 1.000 60.01000 ? 110 ILE A HD12 1 +ATOM 1738 H HD13 . ILE A 1 110 ? -14.27100 -13.16900 22.31000 1.000 60.01000 ? 110 ILE A HD13 1 +ATOM 1739 N N . LYS A 1 111 ? -17.93900 -14.94700 26.63600 1.000 52.14836 ? 111 LYS A N 1 +ATOM 1740 C CA . LYS A 1 111 ? -18.29300 -14.37300 27.92900 1.000 56.58310 ? 111 LYS A CA 1 +ATOM 1741 C C . LYS A 1 111 ? -17.00300 -14.08900 28.69100 1.000 53.55905 ? 111 LYS A C 1 +ATOM 1742 O O . LYS A 1 111 ? -16.11300 -14.94300 28.74600 1.000 54.13807 ? 111 LYS A O 1 +ATOM 1743 C CB . LYS A 1 111 ? -19.18900 -15.30400 28.74400 1.000 60.44935 ? 111 LYS A CB 1 +ATOM 1744 C CG . LYS A 1 111 ? -20.50900 -15.65400 28.06400 1.000 73.79306 ? 111 LYS A CG 1 +ATOM 1745 C CD . LYS A 1 111 ? -21.42200 -16.44400 28.99800 1.000 90.85826 ? 111 LYS A CD 1 +ATOM 1746 C CE . LYS A 1 111 ? -22.36800 -17.35600 28.22500 1.000 115.64544 ? 111 LYS A CE 1 +ATOM 1747 N NZ . LYS A 1 111 ? -22.37100 -18.74100 28.78700 1.000 129.39973 ? 111 LYS A NZ 1 +ATOM 1748 H H . LYS A 1 111 ? -17.45800 -15.65600 26.70100 1.000 62.59000 ? 111 LYS A H 1 +ATOM 1749 H HA . LYS A 1 111 ? -18.78000 -13.54600 27.79500 1.000 67.91000 ? 111 LYS A HA 1 +ATOM 1750 H HB2 . LYS A 1 111 ? -18.71200 -16.13300 28.90400 1.000 72.55000 ? 111 LYS A HB2 1 +ATOM 1751 H HB3 . LYS A 1 111 ? -19.39800 -14.87400 29.58800 1.000 72.55000 ? 111 LYS A HB3 1 +ATOM 1752 H HG2 . LYS A 1 111 ? -20.96600 -14.83700 27.80900 1.000 88.56000 ? 111 LYS A HG2 1 +ATOM 1753 H HG3 . LYS A 1 111 ? -20.33300 -16.19500 27.27900 1.000 88.56000 ? 111 LYS A HG3 1 +ATOM 1754 H HD2 . LYS A 1 111 ? -20.88100 -16.99500 29.58500 1.000 109.04000 ? 111 LYS A HD2 1 +ATOM 1755 H HD3 . LYS A 1 111 ? -21.95600 -15.82700 29.52200 1.000 109.04000 ? 111 LYS A HD3 1 +ATOM 1756 H HE2 . LYS A 1 111 ? -23.27000 -17.00400 28.27800 1.000 138.78000 ? 111 LYS A HE2 1 +ATOM 1757 H HE3 . LYS A 1 111 ? -22.08300 -17.40300 27.29900 1.000 138.78000 ? 111 LYS A HE3 1 +ATOM 1758 H HZ1 . LYS A 1 111 ? -22.92500 -19.25800 28.32000 1.000 155.29000 ? 111 LYS A HZ1 1 +ATOM 1759 H HZ2 . LYS A 1 111 ? -21.55200 -19.08700 28.74800 1.000 155.29000 ? 111 LYS A HZ2 1 +ATOM 1760 H HZ3 . LYS A 1 111 ? -22.63700 -18.72500 29.63600 1.000 155.29000 ? 111 LYS A HZ3 1 +ATOM 1761 N N . ALA A 1 112 ? -16.89400 -12.89900 29.27000 1.000 51.06928 ? 112 ALA A N 1 +ATOM 1762 C CA . ALA A 1 112 ? -15.70900 -12.54900 30.04000 1.000 51.62198 ? 112 ALA A CA 1 +ATOM 1763 C C . ALA A 1 112 ? -16.01900 -11.34100 30.90900 1.000 53.94068 ? 112 ALA A C 1 +ATOM 1764 O O . ALA A 1 112 ? -17.13600 -10.81200 30.90100 1.000 52.72211 ? 112 ALA A O 1 +ATOM 1765 C CB . ALA A 1 112 ? -14.50800 -12.25900 29.11900 1.000 44.06581 ? 112 ALA A CB 1 +ATOM 1766 H H . ALA A 1 112 ? -17.49000 -12.28000 29.23000 1.000 61.29000 ? 112 ALA A H 1 +ATOM 1767 H HA . ALA A 1 112 ? -15.49400 -13.29800 30.61800 1.000 61.96000 ? 112 ALA A HA 1 +ATOM 1768 H HB1 . ALA A 1 112 ? -13.71900 -12.11600 29.66400 1.000 52.89000 ? 112 ALA A HB1 1 +ATOM 1769 H HB2 . ALA A 1 112 ? -14.37100 -13.01900 28.53100 1.000 52.89000 ? 112 ALA A HB2 1 +ATOM 1770 H HB3 . ALA A 1 112 ? -14.69700 -11.46500 28.59500 1.000 52.89000 ? 112 ALA A HB3 1 +ATOM 1771 N N . LEU A 1 113 ? -15.01000 -10.91700 31.66600 1.000 51.32194 ? 113 LEU A N 1 +ATOM 1772 C CA . LEU A 1 113 ? -15.02500 -9.65600 32.38900 1.000 56.24885 ? 113 LEU A CA 1 +ATOM 1773 C C . LEU A 1 113 ? -14.18600 -8.64200 31.62200 1.000 53.63538 ? 113 LEU A C 1 +ATOM 1774 O O . LEU A 1 113 ? -13.19200 -9.00100 30.99400 1.000 46.57401 ? 113 LEU A O 1 +ATOM 1775 C CB . LEU A 1 113 ? -14.45700 -9.82100 33.79100 1.000 52.00360 ? 113 LEU A CB 1 +ATOM 1776 C CG . LEU A 1 113 ? -15.09100 -10.92300 34.64800 1.000 56.45940 ? 113 LEU A CG 1 +ATOM 1777 C CD1 . LEU A 1 113 ? -14.46500 -10.90400 36.02800 1.000 57.86220 ? 113 LEU A CD1 1 +ATOM 1778 C CD2 . LEU A 1 113 ? -16.59000 -10.74700 34.71600 1.000 58.97023 ? 113 LEU A CD2 1 +ATOM 1779 H H . LEU A 1 113 ? -14.28100 -11.36000 31.77800 1.000 61.60000 ? 113 LEU A H 1 +ATOM 1780 H HA . LEU A 1 113 ? -15.93500 -9.33200 32.47300 1.000 67.51000 ? 113 LEU A HA 1 +ATOM 1781 H HB2 . LEU A 1 113 ? -13.51300 -10.02600 33.71300 1.000 62.42000 ? 113 LEU A HB2 1 +ATOM 1782 H HB3 . LEU A 1 113 ? -14.57700 -8.98400 34.26600 1.000 62.42000 ? 113 LEU A HB3 1 +ATOM 1783 H HG . LEU A 1 113 ? -14.92700 -11.79200 34.25000 1.000 67.76000 ? 113 LEU A HG 1 +ATOM 1784 H HD11 . LEU A 1 113 ? -14.88000 -11.59200 36.57200 1.000 69.44000 ? 113 LEU A HD11 1 +ATOM 1785 H HD12 . LEU A 1 113 ? -13.51400 -11.07600 35.94500 1.000 69.44000 ? 113 LEU A HD12 1 +ATOM 1786 H HD13 . LEU A 1 113 ? -14.61000 -10.03300 36.42900 1.000 69.44000 ? 113 LEU A HD13 1 +ATOM 1787 H HD21 . LEU A 1 113 ? -16.94500 -11.32900 35.40600 1.000 70.78000 ? 113 LEU A HD21 1 +ATOM 1788 H HD22 . LEU A 1 113 ? -16.79000 -9.82200 34.92800 1.000 70.78000 ? 113 LEU A HD22 1 +ATOM 1789 H HD23 . LEU A 1 113 ? -16.97400 -10.98000 33.85700 1.000 70.78000 ? 113 LEU A HD23 1 +ATOM 1790 N N . ASP A 1 114 ? -14.58200 -7.37600 31.69100 1.000 48.85586 ? 114 ASP A N 1 +ATOM 1791 C CA . ASP A 1 114 ? -13.86000 -6.33600 30.97600 1.000 47.79784 ? 114 ASP A CA 1 +ATOM 1792 C C . ASP A 1 114 ? -12.77800 -5.74800 31.88500 1.000 50.78240 ? 114 ASP A C 1 +ATOM 1793 O O . ASP A 1 114 ? -12.53900 -6.22100 33.00500 1.000 49.23222 ? 114 ASP A O 1 +ATOM 1794 C CB . ASP A 1 114 ? -14.82900 -5.28900 30.43700 1.000 49.06115 ? 114 ASP A CB 1 +ATOM 1795 C CG . ASP A 1 114 ? -15.47800 -4.44400 31.53700 1.000 57.37267 ? 114 ASP A CG 1 +ATOM 1796 O OD1 . ASP A 1 114 ? -14.99000 -4.43500 32.68700 1.000 58.20435 ? 114 ASP A OD1 1 +ATOM 1797 O OD2 . ASP A 1 114 ? -16.49300 -3.78600 31.23600 1.000 59.87034 ? 114 ASP A OD2 1 +ATOM 1798 H H . ASP A 1 114 ? -15.26000 -7.09900 32.14200 1.000 58.64000 ? 114 ASP A H 1 +ATOM 1799 H HA . ASP A 1 114 ? -13.41600 -6.73600 30.21200 1.000 57.37000 ? 114 ASP A HA 1 +ATOM 1800 H HB2 . ASP A 1 114 ? -14.34700 -4.69000 29.84600 1.000 58.88000 ? 114 ASP A HB2 1 +ATOM 1801 H HB3 . ASP A 1 114 ? -15.53700 -5.73800 29.94900 1.000 58.88000 ? 114 ASP A HB3 1 +ATOM 1802 N N . ARG A 1 115 ? -12.10800 -4.70000 31.40400 1.000 49.01377 ? 115 ARG A N 1 +ATOM 1803 C CA . ARG A 1 115 ? -10.96100 -4.16000 32.11600 1.000 47.68730 ? 115 ARG A CA 1 +ATOM 1804 C C . ARG A 1 115 ? -11.33700 -3.55900 33.46300 1.000 55.96724 ? 115 ARG A C 1 +ATOM 1805 O O . ARG A 1 115 ? -10.43800 -3.30900 34.27000 1.000 53.81698 ? 115 ARG A O 1 +ATOM 1806 C CB . ARG A 1 115 ? -10.26600 -3.10900 31.25100 1.000 50.39288 ? 115 ARG A CB 1 +ATOM 1807 C CG . ARG A 1 115 ? -11.11700 -1.87800 30.95500 1.000 48.25052 ? 115 ARG A CG 1 +ATOM 1808 C CD . ARG A 1 115 ? -10.55500 -1.07700 29.79100 1.000 47.35305 ? 115 ARG A CD 1 +ATOM 1809 N NE . ARG A 1 115 ? -10.71800 -1.76700 28.51200 1.000 47.90574 ? 115 ARG A NE 1 +ATOM 1810 C CZ . ARG A 1 115 ? -10.22300 -1.33200 27.35700 1.000 47.87153 ? 115 ARG A CZ 1 +ATOM 1811 N NH1 . ARG A 1 115 ? -9.46900 -0.24900 27.28900 1.000 44.39743 ? 115 ARG A NH1 1 +ATOM 1812 N NH2 . ARG A 1 115 ? -10.49100 -2.00400 26.24100 1.000 46.47926 ? 115 ARG A NH2 1 +ATOM 1813 H H . ARG A 1 115 ? -12.30000 -4.28900 30.67300 1.000 58.83000 ? 115 ARG A H 1 +ATOM 1814 H HA . ARG A 1 115 ? -10.32800 -4.87600 32.28100 1.000 57.23000 ? 115 ARG A HA 1 +ATOM 1815 H HB2 . ARG A 1 115 ? -9.46600 -2.81000 31.71100 1.000 60.48000 ? 115 ARG A HB2 1 +ATOM 1816 H HB3 . ARG A 1 115 ? -10.02900 -3.51400 30.40200 1.000 60.48000 ? 115 ARG A HB3 1 +ATOM 1817 H HG2 . ARG A 1 115 ? -12.01700 -2.15800 30.72600 1.000 57.91000 ? 115 ARG A HG2 1 +ATOM 1818 H HG3 . ARG A 1 115 ? -11.13600 -1.30500 31.73700 1.000 57.91000 ? 115 ARG A HG3 1 +ATOM 1819 H HD2 . ARG A 1 115 ? -11.01900 -0.22700 29.73600 1.000 56.84000 ? 115 ARG A HD2 1 +ATOM 1820 H HD3 . ARG A 1 115 ? -9.60700 -0.93000 29.93500 1.000 56.84000 ? 115 ARG A HD3 1 +ATOM 1821 H HE . ARG A 1 115 ? -11.16300 -2.50200 28.50600 1.000 57.50000 ? 115 ARG A HE 1 +ATOM 1822 H HH11 . ARG A 1 115 ? -9.28600 0.19300 28.00300 1.000 53.29000 ? 115 ARG A HH11 1 +ATOM 1823 H HH12 . ARG A 1 115 ? -9.16000 0.01300 26.53000 1.000 53.29000 ? 115 ARG A HH12 1 +ATOM 1824 H HH21 . ARG A 1 115 ? -10.97900 -2.71200 26.27200 1.000 55.78000 ? 115 ARG A HH21 1 +ATOM 1825 H HH22 . ARG A 1 115 ? -10.17600 -1.73200 25.48900 1.000 55.78000 ? 115 ARG A HH22 1 +ATOM 1826 N N . ASP A 1 116 ? -12.62900 -3.33400 33.71600 1.000 54.92764 ? 116 ASP A N 1 +ATOM 1827 C CA . ASP A 1 116 ? -13.12000 -2.86000 35.00600 1.000 58.41227 ? 116 ASP A CA 1 +ATOM 1828 C C . ASP A 1 116 ? -13.62100 -3.98300 35.90000 1.000 63.59710 ? 116 ASP A C 1 +ATOM 1829 O O . ASP A 1 116 ? -14.06200 -3.71100 37.02000 1.000 63.26811 ? 116 ASP A O 1 +ATOM 1830 C CB . ASP A 1 116 ? -14.25600 -1.85200 34.80200 1.000 58.88074 ? 116 ASP A CB 1 +ATOM 1831 C CG . ASP A 1 116 ? -13.84900 -0.67800 33.92700 1.000 67.31333 ? 116 ASP A CG 1 +ATOM 1832 O OD1 . ASP A 1 116 ? -12.71800 -0.17300 34.08000 1.000 62.70752 ? 116 ASP A OD1 1 +ATOM 1833 O OD2 . ASP A 1 116 ? -14.66700 -0.26100 33.07800 1.000 76.49601 ? 116 ASP A OD2 1 +ATOM 1834 H H . ASP A 1 116 ? -13.25500 -3.45200 33.13800 1.000 65.92000 ? 116 ASP A H 1 +ATOM 1835 H HA . ASP A 1 116 ? -12.38900 -2.41300 35.45900 1.000 70.11000 ? 116 ASP A HA 1 +ATOM 1836 H HB2 . ASP A 1 116 ? -15.00300 -2.30000 34.37500 1.000 70.67000 ? 116 ASP A HB2 1 +ATOM 1837 H HB3 . ASP A 1 116 ? -14.52800 -1.50300 35.66500 1.000 70.67000 ? 116 ASP A HB3 1 +ATOM 1838 N N . GLY A 1 117 ? -13.59400 -5.22800 35.42600 1.000 58.58597 ? 117 GLY A N 1 +ATOM 1839 C CA . GLY A 1 117 ? -14.14200 -6.34000 36.16800 1.000 56.42782 ? 117 GLY A CA 1 +ATOM 1840 C C . GLY A 1 117 ? -15.62000 -6.59100 35.97000 1.000 57.91221 ? 117 GLY A C 1 +ATOM 1841 O O . GLY A 1 117 ? -16.18800 -7.41300 36.69600 1.000 67.99763 ? 117 GLY A O 1 +ATOM 1842 H H . GLY A 1 117 ? -13.25700 -5.44900 34.66600 1.000 70.32000 ? 117 GLY A H 1 +ATOM 1843 H HA2 . GLY A 1 117 ? -13.67100 -7.14600 35.90600 1.000 67.73000 ? 117 GLY A HA2 1 +ATOM 1844 H HA3 . GLY A 1 117 ? -13.99600 -6.18000 37.11300 1.000 67.73000 ? 117 GLY A HA3 1 +ATOM 1845 N N . ASN A 1 118 ? -16.26500 -5.92500 35.01300 1.000 58.05170 ? 118 ASN A N 1 +ATOM 1846 C CA . ASN A 1 118 ? -17.69400 -6.11300 34.79500 1.000 57.08316 ? 118 ASN A CA 1 +ATOM 1847 C C . ASN A 1 118 ? -17.97300 -7.13900 33.70800 1.000 61.73372 ? 118 ASN A C 1 +ATOM 1848 O O . ASN A 1 118 ? -17.26500 -7.17000 32.68400 1.000 55.04607 ? 118 ASN A O 1 +ATOM 1849 C CB . ASN A 1 118 ? -18.34500 -4.78200 34.40300 1.000 59.70716 ? 118 ASN A CB 1 +ATOM 1850 C CG . ASN A 1 118 ? -18.31000 -3.76700 35.53400 1.000 71.92441 ? 118 ASN A CG 1 +ATOM 1851 O OD1 . ASN A 1 118 ? -18.42300 -4.12400 36.70600 1.000 65.10517 ? 118 ASN A OD1 1 +ATOM 1852 N ND2 . ASN A 1 118 ? -18.14200 -2.50000 35.18200 1.000 73.73252 ? 118 ASN A ND2 1 +ATOM 1853 H H . ASN A 1 118 ? -15.89800 -5.36100 34.47800 1.000 69.67000 ? 118 ASN A H 1 +ATOM 1854 H HA . ASN A 1 118 ? -18.09800 -6.43900 35.61500 1.000 68.51000 ? 118 ASN A HA 1 +ATOM 1855 H HB2 . ASN A 1 118 ? -17.86900 -4.40600 33.64500 1.000 71.66000 ? 118 ASN A HB2 1 +ATOM 1856 H HB3 . ASN A 1 118 ? -19.27300 -4.93900 34.16700 1.000 71.66000 ? 118 ASN A HB3 1 +ATOM 1857 H HD21 . ASN A 1 118 ? -18.11500 -1.88600 35.78400 1.000 88.49000 ? 118 ASN A HD21 1 +ATOM 1858 H HD22 . ASN A 1 118 ? -18.06000 -2.29200 34.35100 1.000 88.49000 ? 118 ASN A HD22 1 +ATOM 1859 N N . PRO A 1 119 ? -18.99100 -7.98600 33.88500 1.000 64.43667 ? 119 PRO A N 1 +ATOM 1860 C CA . PRO A 1 119 ? -19.24200 -9.04800 32.89800 1.000 59.50450 ? 119 PRO A CA 1 +ATOM 1861 C C . PRO A 1 119 ? -19.81400 -8.51900 31.59300 1.000 64.02083 ? 119 PRO A C 1 +ATOM 1862 O O . PRO A 1 119 ? -20.51800 -7.50900 31.55100 1.000 60.78887 ? 119 PRO A O 1 +ATOM 1863 C CB . PRO A 1 119 ? -20.25200 -9.96700 33.60700 1.000 64.85778 ? 119 PRO A CB 1 +ATOM 1864 C CG . PRO A 1 119 ? -20.92900 -9.08500 34.62000 1.000 62.53118 ? 119 PRO A CG 1 +ATOM 1865 C CD . PRO A 1 119 ? -19.89400 -8.08000 35.05400 1.000 63.97872 ? 119 PRO A CD 1 +ATOM 1866 H HA . PRO A 1 119 ? -18.42000 -9.52800 32.71400 1.000 71.42000 ? 119 PRO A HA 1 +ATOM 1867 H HB2 . PRO A 1 119 ? -20.89200 -10.31400 32.96500 1.000 77.84000 ? 119 PRO A HB2 1 +ATOM 1868 H HB3 . PRO A 1 119 ? -19.78600 -10.70000 34.04000 1.000 77.84000 ? 119 PRO A HB3 1 +ATOM 1869 H HG2 . PRO A 1 119 ? -21.68800 -8.64100 34.21100 1.000 75.05000 ? 119 PRO A HG2 1 +ATOM 1870 H HG3 . PRO A 1 119 ? -21.22500 -9.62000 35.37300 1.000 75.05000 ? 119 PRO A HG3 1 +ATOM 1871 H HD2 . PRO A 1 119 ? -20.30500 -7.22200 35.24200 1.000 76.79000 ? 119 PRO A HD2 1 +ATOM 1872 H HD3 . PRO A 1 119 ? -19.41300 -8.39600 35.83500 1.000 76.79000 ? 119 PRO A HD3 1 +ATOM 1873 N N . PHE A 1 120 ? -19.50700 -9.22900 30.50800 1.000 58.10960 ? 120 PHE A N 1 +ATOM 1874 C CA . PHE A 1 120 ? -20.11600 -8.91700 29.22700 1.000 59.67821 ? 120 PHE A CA 1 +ATOM 1875 C C . PHE A 1 120 ? -20.15700 -10.17500 28.36900 1.000 58.23330 ? 120 PHE A C 1 +ATOM 1876 O O . PHE A 1 120 ? -19.49900 -11.17900 28.66000 1.000 55.93302 ? 120 PHE A O 1 +ATOM 1877 C CB . PHE A 1 120 ? -19.37300 -7.76800 28.50600 1.000 55.89354 ? 120 PHE A CB 1 +ATOM 1878 C CG . PHE A 1 120 ? -18.00700 -8.13800 27.97700 1.000 57.39109 ? 120 PHE A CG 1 +ATOM 1879 C CD1 . PHE A 1 120 ? -16.88500 -8.03900 28.77500 1.000 53.73013 ? 120 PHE A CD1 1 +ATOM 1880 C CD2 . PHE A 1 120 ? -17.85300 -8.54600 26.66500 1.000 59.10445 ? 120 PHE A CD2 1 +ATOM 1881 C CE1 . PHE A 1 120 ? -15.63300 -8.36700 28.27900 1.000 52.61947 ? 120 PHE A CE1 1 +ATOM 1882 C CE2 . PHE A 1 120 ? -16.60400 -8.87300 26.16100 1.000 60.89678 ? 120 PHE A CE2 1 +ATOM 1883 C CZ . PHE A 1 120 ? -15.49300 -8.77800 26.97700 1.000 54.57496 ? 120 PHE A CZ 1 +ATOM 1884 H H . PHE A 1 120 ? -18.95500 -9.88900 30.49300 1.000 69.74000 ? 120 PHE A H 1 +ATOM 1885 H HA . PHE A 1 120 ? -21.03200 -8.63100 29.36900 1.000 71.63000 ? 120 PHE A HA 1 +ATOM 1886 H HB2 . PHE A 1 120 ? -19.91000 -7.47800 27.75300 1.000 67.08000 ? 120 PHE A HB2 1 +ATOM 1887 H HB3 . PHE A 1 120 ? -19.25600 -7.03600 29.13100 1.000 67.08000 ? 120 PHE A HB3 1 +ATOM 1888 H HD1 . PHE A 1 120 ? -16.96900 -7.74900 29.65400 1.000 64.48000 ? 120 PHE A HD1 1 +ATOM 1889 H HD2 . PHE A 1 120 ? -18.59900 -8.60200 26.11200 1.000 70.94000 ? 120 PHE A HD2 1 +ATOM 1890 H HE1 . PHE A 1 120 ? -14.88600 -8.30800 28.82900 1.000 63.16000 ? 120 PHE A HE1 1 +ATOM 1891 H HE2 . PHE A 1 120 ? -16.51400 -9.15500 25.27900 1.000 73.09000 ? 120 PHE A HE2 1 +ATOM 1892 H HZ . PHE A 1 120 ? -14.65200 -8.99200 26.64500 1.000 65.51000 ? 120 PHE A HZ 1 +ATOM 1893 N N . GLU A 1 121 ? -20.97300 -10.11500 27.32400 1.000 60.41251 ? 121 GLU A N 1 +ATOM 1894 C CA . GLU A 1 121 ? -21.07200 -11.17000 26.32900 1.000 59.43081 ? 121 GLU A CA 1 +ATOM 1895 C C . GLU A 1 121 ? -20.94100 -10.53900 24.95000 1.000 62.56276 ? 121 GLU A C 1 +ATOM 1896 O O . GLU A 1 121 ? -21.28900 -9.36900 24.74300 1.000 61.05732 ? 121 GLU A O 1 +ATOM 1897 C CB . GLU A 1 121 ? -22.39100 -11.93700 26.42400 1.000 72.47711 ? 121 GLU A CB 1 +ATOM 1898 C CG . GLU A 1 121 ? -22.73500 -12.43300 27.82300 1.000 107.60501 ? 121 GLU A CG 1 +ATOM 1899 C CD . GLU A 1 121 ? -23.91900 -13.38400 27.82800 1.000 112.37137 ? 121 GLU A CD 1 +ATOM 1900 O OE1 . GLU A 1 121 ? -24.54500 -13.55900 26.76000 1.000 90.56875 ? 121 GLU A OE1 1 +ATOM 1901 O OE2 . GLU A 1 121 ? -24.21700 -13.95900 28.89700 1.000 118.96163 ? 121 GLU A OE2 1 +ATOM 1902 H H . GLU A 1 121 ? -21.49600 -9.45100 27.16600 1.000 72.51000 ? 121 GLU A H 1 +ATOM 1903 H HA . GLU A 1 121 ? -20.35700 -11.81300 26.46000 1.000 71.33000 ? 121 GLU A HA 1 +ATOM 1904 H HB2 . GLU A 1 121 ? -23.11000 -11.35200 26.13600 1.000 86.98000 ? 121 GLU A HB2 1 +ATOM 1905 H HB3 . GLU A 1 121 ? -22.34100 -12.71200 25.84300 1.000 86.98000 ? 121 GLU A HB3 1 +ATOM 1906 H HG2 . GLU A 1 121 ? -21.96900 -12.90300 28.19000 1.000 129.14000 ? 121 GLU A HG2 1 +ATOM 1907 H HG3 . GLU A 1 121 ? -22.95600 -11.67300 28.38300 1.000 129.14000 ? 121 GLU A HG3 1 +ATOM 1908 N N . GLU A 1 122 ? -20.44300 -11.32800 24.00500 1.000 54.97238 ? 122 GLU A N 1 +ATOM 1909 C CA . GLU A 1 122 ? -20.16500 -10.85500 22.65700 1.000 59.76243 ? 122 GLU A CA 1 +ATOM 1910 C C . GLU A 1 122 ? -20.28200 -12.04900 21.72300 1.000 59.74137 ? 122 GLU A C 1 +ATOM 1911 O O . GLU A 1 122 ? -19.83400 -13.14500 22.05900 1.000 63.49972 ? 122 GLU A O 1 +ATOM 1912 C CB . GLU A 1 122 ? -18.76600 -10.22300 22.59700 1.000 60.13089 ? 122 GLU A CB 1 +ATOM 1913 C CG . GLU A 1 122 ? -18.41100 -9.52900 21.30600 1.000 75.61959 ? 122 GLU A CG 1 +ATOM 1914 C CD . GLU A 1 122 ? -17.10500 -8.74900 21.41700 1.000 76.04596 ? 122 GLU A CD 1 +ATOM 1915 O OE1 . GLU A 1 122 ? -16.70600 -8.41500 22.55400 1.000 75.74329 ? 122 GLU A OE1 1 +ATOM 1916 O OE2 . GLU A 1 122 ? -16.47700 -8.47400 20.37700 1.000 75.51169 ? 122 GLU A OE2 1 +ATOM 1917 H H . GLU A 1 122 ? -20.25300 -12.15800 24.12300 1.000 65.98000 ? 122 GLU A H 1 +ATOM 1918 H HA . GLU A 1 122 ? -20.80500 -10.18500 22.36800 1.000 71.73000 ? 122 GLU A HA 1 +ATOM 1919 H HB2 . GLU A 1 122 ? -18.70100 -9.56300 23.30500 1.000 72.17000 ? 122 GLU A HB2 1 +ATOM 1920 H HB3 . GLU A 1 122 ? -18.11000 -10.92400 22.73600 1.000 72.17000 ? 122 GLU A HB3 1 +ATOM 1921 H HG2 . GLU A 1 122 ? -18.30900 -10.19200 20.60500 1.000 90.76000 ? 122 GLU A HG2 1 +ATOM 1922 H HG3 . GLU A 1 122 ? -19.11700 -8.90700 21.07300 1.000 90.76000 ? 122 GLU A HG3 1 +ATOM 1923 N N . VAL A 1 123 ? -20.90700 -11.84500 20.57300 1.000 56.78576 ? 123 VAL A N 1 +ATOM 1924 C CA . VAL A 1 123 ? -20.85800 -12.81700 19.49200 1.000 57.42267 ? 123 VAL A CA 1 +ATOM 1925 C C . VAL A 1 123 ? -19.69700 -12.44600 18.58600 1.000 57.46742 ? 123 VAL A C 1 +ATOM 1926 O O . VAL A 1 123 ? -19.59200 -11.29800 18.14100 1.000 55.01712 ? 123 VAL A O 1 +ATOM 1927 C CB . VAL A 1 123 ? -22.17700 -12.85800 18.70500 1.000 64.33140 ? 123 VAL A CB 1 +ATOM 1928 C CG1 . VAL A 1 123 ? -22.00700 -13.69800 17.44100 1.000 60.92046 ? 123 VAL A CG1 1 +ATOM 1929 C CG2 . VAL A 1 123 ? -23.28600 -13.43500 19.56200 1.000 64.04189 ? 123 VAL A CG2 1 +ATOM 1930 H H . VAL A 1 123 ? -21.37000 -11.14300 20.39300 1.000 68.16000 ? 123 VAL A H 1 +ATOM 1931 H HA . VAL A 1 123 ? -20.70900 -13.70200 19.86000 1.000 68.92000 ? 123 VAL A HA 1 +ATOM 1932 H HB . VAL A 1 123 ? -22.42200 -11.95500 18.45200 1.000 77.21000 ? 123 VAL A HB 1 +ATOM 1933 H HG11 . VAL A 1 123 ? -22.88300 -13.93100 17.09600 1.000 73.12000 ? 123 VAL A HG11 1 +ATOM 1934 H HG12 . VAL A 1 123 ? -21.51800 -13.18000 16.78200 1.000 73.12000 ? 123 VAL A HG12 1 +ATOM 1935 H HG13 . VAL A 1 123 ? -21.51300 -14.50300 17.66100 1.000 73.12000 ? 123 VAL A HG13 1 +ATOM 1936 H HG21 . VAL A 1 123 ? -24.11500 -13.42100 19.05800 1.000 76.86000 ? 123 VAL A HG21 1 +ATOM 1937 H HG22 . VAL A 1 123 ? -23.05900 -14.34800 19.80000 1.000 76.86000 ? 123 VAL A HG22 1 +ATOM 1938 H HG23 . VAL A 1 123 ? -23.37700 -12.89700 20.36400 1.000 76.86000 ? 123 VAL A HG23 1 +ATOM 1939 N N . ALA A 1 124 ? -18.82700 -13.41600 18.31100 1.000 52.94056 ? 124 ALA A N 1 +ATOM 1940 C CA . ALA A 1 124 ? -17.61900 -13.19200 17.53900 1.000 53.37745 ? 124 ALA A CA 1 +ATOM 1941 C C . ALA A 1 124 ? -17.63800 -14.06900 16.29500 1.000 50.17180 ? 124 ALA A C 1 +ATOM 1942 O O . ALA A 1 124 ? -18.04200 -15.23300 16.35400 1.000 47.90574 ? 124 ALA A O 1 +ATOM 1943 C CB . ALA A 1 124 ? -16.37700 -13.50300 18.37700 1.000 47.06091 ? 124 ALA A CB 1 +ATOM 1944 H H . ALA A 1 124 ? -18.92200 -14.23000 18.57000 1.000 63.54000 ? 124 ALA A H 1 +ATOM 1945 H HA . ALA A 1 124 ? -17.57600 -12.26600 17.25400 1.000 64.07000 ? 124 ALA A HA 1 +ATOM 1946 H HB1 . ALA A 1 124 ? -15.58800 -13.39500 17.82300 1.000 56.49000 ? 124 ALA A HB1 1 +ATOM 1947 H HB2 . ALA A 1 124 ? -16.34100 -12.88900 19.12700 1.000 56.49000 ? 124 ALA A HB2 1 +ATOM 1948 H HB3 . ALA A 1 124 ? -16.43400 -14.41600 18.69900 1.000 56.49000 ? 124 ALA A HB3 1 +ATOM 1949 N N . GLU A 1 125 ? -17.19500 -13.50100 15.17800 1.000 46.79245 ? 125 GLU A N 1 +ATOM 1950 C CA . GLU A 1 125 ? -17.03100 -14.23500 13.93800 1.000 48.55319 ? 125 GLU A CA 1 +ATOM 1951 C C . GLU A 1 125 ? -15.69400 -13.86200 13.31300 1.000 48.88481 ? 125 GLU A C 1 +ATOM 1952 O O . GLU A 1 125 ? -15.04800 -12.89700 13.71300 1.000 53.49062 ? 125 GLU A O 1 +ATOM 1953 C CB . GLU A 1 125 ? -18.16100 -13.94600 12.94900 1.000 57.02526 ? 125 GLU A CB 1 +ATOM 1954 C CG . GLU A 1 125 ? -19.48800 -14.53600 13.35000 1.000 73.39827 ? 125 GLU A CG 1 +ATOM 1955 C CD . GLU A 1 125 ? -20.54700 -14.33700 12.28700 1.000 85.07599 ? 125 GLU A CD 1 +ATOM 1956 O OE1 . GLU A 1 125 ? -20.44000 -14.96600 11.21100 1.000 84.02850 ? 125 GLU A OE1 1 +ATOM 1957 O OE2 . GLU A 1 125 ? -21.47400 -13.53600 12.52800 1.000 92.16895 ? 125 GLU A OE2 1 +ATOM 1958 H H . GLU A 1 125 ? -16.98000 -12.67100 15.11500 1.000 56.16000 ? 125 GLU A H 1 +ATOM 1959 H HA . GLU A 1 125 ? -17.03100 -15.18400 14.13900 1.000 58.27000 ? 125 GLU A HA 1 +ATOM 1960 H HB2 . GLU A 1 125 ? -18.27400 -12.98500 12.87700 1.000 68.44000 ? 125 GLU A HB2 1 +ATOM 1961 H HB3 . GLU A 1 125 ? -17.92100 -14.31600 12.08500 1.000 68.44000 ? 125 GLU A HB3 1 +ATOM 1962 H HG2 . GLU A 1 125 ? -19.38100 -15.48900 13.49500 1.000 88.09000 ? 125 GLU A HG2 1 +ATOM 1963 H HG3 . GLU A 1 125 ? -19.79300 -14.10800 14.16500 1.000 88.09000 ? 125 GLU A HG3 1 +ATOM 1964 N N . GLY A 1 126 ? -15.28800 -14.64000 12.30900 1.000 46.48189 ? 126 GLY A N 1 +ATOM 1965 C CA . GLY A 1 126 ? -14.06900 -14.31900 11.59200 1.000 44.58692 ? 126 GLY A CA 1 +ATOM 1966 C C . GLY A 1 126 ? -12.84200 -14.38800 12.47600 1.000 44.14213 ? 126 GLY A C 1 +ATOM 1967 O O . GLY A 1 126 ? -12.69600 -15.27900 13.32400 1.000 45.27911 ? 126 GLY A O 1 +ATOM 1968 H H . GLY A 1 126 ? -15.69500 -15.34500 12.03300 1.000 55.79000 ? 126 GLY A H 1 +ATOM 1969 H HA2 . GLY A 1 126 ? -13.95300 -14.94500 10.86100 1.000 53.52000 ? 126 GLY A HA2 1 +ATOM 1970 H HA3 . GLY A 1 126 ? -14.13600 -13.42100 11.23200 1.000 53.52000 ? 126 GLY A HA3 1 +ATOM 1971 N N . LEU A 1 127 ? -11.93400 -13.43300 12.27100 1.000 45.15541 ? 127 LEU A N 1 +ATOM 1972 C CA . LEU A 1 127 ? -10.65000 -13.46700 12.96800 1.000 45.05803 ? 127 LEU A CA 1 +ATOM 1973 C C . LEU A 1 127 ? -10.82400 -13.38500 14.48100 1.000 45.83444 ? 127 LEU A C 1 +ATOM 1974 O O . LEU A 1 127 ? -10.07700 -14.02100 15.23400 1.000 43.61049 ? 127 LEU A O 1 +ATOM 1975 C CB . LEU A 1 127 ? -9.76200 -12.34400 12.46000 1.000 47.08459 ? 127 LEU A CB 1 +ATOM 1976 C CG . LEU A 1 127 ? -8.28100 -12.38100 12.81100 1.000 45.81076 ? 127 LEU A CG 1 +ATOM 1977 C CD1 . LEU A 1 127 ? -7.61100 -13.67800 12.45400 1.000 45.26859 ? 127 LEU A CD1 1 +ATOM 1978 C CD2 . LEU A 1 127 ? -7.60700 -11.22000 12.08900 1.000 48.82954 ? 127 LEU A CD2 1 +ATOM 1979 H H . LEU A 1 127 ? -12.03400 -12.76300 11.74100 1.000 54.20000 ? 127 LEU A H 1 +ATOM 1980 H HA . LEU A 1 127 ? -10.21100 -14.31100 12.77600 1.000 54.08000 ? 127 LEU A HA 1 +ATOM 1981 H HB2 . LEU A 1 127 ? -9.81700 -12.34100 11.49200 1.000 56.51000 ? 127 LEU A HB2 1 +ATOM 1982 H HB3 . LEU A 1 127 ? -10.11000 -11.51100 12.81500 1.000 56.51000 ? 127 LEU A HB3 1 +ATOM 1983 H HG . LEU A 1 127 ? -8.18500 -12.30200 13.77300 1.000 54.98000 ? 127 LEU A HG 1 +ATOM 1984 H HD11 . LEU A 1 127 ? -6.64900 -13.55900 12.50000 1.000 54.33000 ? 127 LEU A HD11 1 +ATOM 1985 H HD12 . LEU A 1 127 ? -7.89100 -14.36100 13.08200 1.000 54.33000 ? 127 LEU A HD12 1 +ATOM 1986 H HD13 . LEU A 1 127 ? -7.87000 -13.92900 11.55300 1.000 54.33000 ? 127 LEU A HD13 1 +ATOM 1987 H HD21 . LEU A 1 127 ? -6.65800 -11.23200 12.28900 1.000 58.61000 ? 127 LEU A HD21 1 +ATOM 1988 H HD22 . LEU A 1 127 ? -7.74500 -11.31900 11.13400 1.000 58.61000 ? 127 LEU A HD22 1 +ATOM 1989 H HD23 . LEU A 1 127 ? -7.99900 -10.38700 12.39400 1.000 58.61000 ? 127 LEU A HD23 1 +ATOM 1990 N N . LEU A 1 128 ? -11.80400 -12.60700 14.95700 1.000 40.58908 ? 128 LEU A N 1 +ATOM 1991 C CA . LEU A 1 128 ? -11.98800 -12.51400 16.40500 1.000 42.54721 ? 128 LEU A CA 1 +ATOM 1992 C C . LEU A 1 128 ? -12.36800 -13.86600 17.00200 1.000 45.57389 ? 128 LEU A C 1 +ATOM 1993 O O . LEU A 1 128 ? -11.95800 -14.19300 18.12300 1.000 42.68407 ? 128 LEU A O 1 +ATOM 1994 C CB . LEU A 1 128 ? -13.04000 -11.45600 16.74500 1.000 44.84748 ? 128 LEU A CB 1 +ATOM 1995 C CG . LEU A 1 128 ? -13.47100 -11.35400 18.21500 1.000 42.15505 ? 128 LEU A CG 1 +ATOM 1996 C CD1 . LEU A 1 128 ? -12.30000 -10.95200 19.12400 1.000 47.34778 ? 128 LEU A CD1 1 +ATOM 1997 C CD2 . LEU A 1 128 ? -14.63700 -10.36900 18.38700 1.000 52.43260 ? 128 LEU A CD2 1 +ATOM 1998 H H . LEU A 1 128 ? -12.35100 -12.14400 14.48200 1.000 48.72000 ? 128 LEU A H 1 +ATOM 1999 H HA . LEU A 1 128 ? -11.15300 -12.23000 16.80800 1.000 51.07000 ? 128 LEU A HA 1 +ATOM 2000 H HB2 . LEU A 1 128 ? -12.68400 -10.58900 16.49300 1.000 53.83000 ? 128 LEU A HB2 1 +ATOM 2001 H HB3 . LEU A 1 128 ? -13.83700 -11.65100 16.22800 1.000 53.83000 ? 128 LEU A HB3 1 +ATOM 2002 H HG . LEU A 1 128 ? -13.77300 -12.23300 18.49300 1.000 50.60000 ? 128 LEU A HG 1 +ATOM 2003 H HD11 . LEU A 1 128 ? -12.62400 -10.85900 20.03300 1.000 56.83000 ? 128 LEU A HD11 1 +ATOM 2004 H HD12 . LEU A 1 128 ? -11.61900 -11.64200 19.08400 1.000 56.83000 ? 128 LEU A HD12 1 +ATOM 2005 H HD13 . LEU A 1 128 ? -11.93600 -10.10900 18.81400 1.000 56.83000 ? 128 LEU A HD13 1 +ATOM 2006 H HD21 . LEU A 1 128 ? -14.90600 -10.35700 19.31900 1.000 62.93000 ? 128 LEU A HD21 1 +ATOM 2007 H HD22 . LEU A 1 128 ? -14.34600 -9.48500 18.11500 1.000 62.93000 ? 128 LEU A HD22 1 +ATOM 2008 H HD23 . LEU A 1 128 ? -15.37900 -10.65800 17.83200 1.000 62.93000 ? 128 LEU A HD23 1 +ATOM 2009 N N . ALA A 1 129 ? -13.14400 -14.67200 16.27000 1.000 43.85526 ? 129 ALA A N 1 +ATOM 2010 C CA . ALA A 1 129 ? -13.50000 -16.00000 16.75800 1.000 39.12838 ? 129 ALA A CA 1 +ATOM 2011 C C . ALA A 1 129 ? -12.28600 -16.91100 16.80200 1.000 38.49146 ? 129 ALA A C 1 +ATOM 2012 O O . ALA A 1 129 ? -12.11000 -17.66200 17.75500 1.000 41.56551 ? 129 ALA A O 1 +ATOM 2013 C CB . ALA A 1 129 ? -14.58700 -16.61300 15.86800 1.000 47.87153 ? 129 ALA A CB 1 +ATOM 2014 H H . ALA A 1 129 ? -13.47100 -14.47500 15.50000 1.000 52.64000 ? 129 ALA A H 1 +ATOM 2015 H HA . ALA A 1 129 ? -13.85300 -15.91700 17.65700 1.000 46.97000 ? 129 ALA A HA 1 +ATOM 2016 H HB1 . ALA A 1 129 ? -14.80500 -17.49700 16.20000 1.000 57.46000 ? 129 ALA A HB1 1 +ATOM 2017 H HB2 . ALA A 1 129 ? -15.37300 -16.04600 15.89500 1.000 57.46000 ? 129 ALA A HB2 1 +ATOM 2018 H HB3 . ALA A 1 129 ? -14.25400 -16.67300 14.95900 1.000 57.46000 ? 129 ALA A HB3 1 +ATOM 2019 N N . VAL A 1 130 ? -11.42900 -16.85000 15.78100 1.000 40.07849 ? 130 VAL A N 1 +ATOM 2020 C CA . VAL A 1 130 ? -10.19700 -17.62400 15.80300 1.000 37.81243 ? 130 VAL A CA 1 +ATOM 2021 C C . VAL A 1 130 ? -9.32500 -17.20000 16.97600 1.000 39.03626 ? 130 VAL A C 1 +ATOM 2022 O O . VAL A 1 130 ? -8.81600 -18.04400 17.73100 1.000 39.92847 ? 130 VAL A O 1 +ATOM 2023 C CB . VAL A 1 130 ? -9.42700 -17.47800 14.48400 1.000 39.41525 ? 130 VAL A CB 1 +ATOM 2024 C CG1 . VAL A 1 130 ? -8.14300 -18.26800 14.55400 1.000 38.64411 ? 130 VAL A CG1 1 +ATOM 2025 C CG2 . VAL A 1 130 ? -10.26600 -17.96200 13.31700 1.000 44.65009 ? 130 VAL A CG2 1 +ATOM 2026 H H . VAL A 1 130 ? -11.53800 -16.37200 15.07500 1.000 48.10000 ? 130 VAL A H 1 +ATOM 2027 H HA . VAL A 1 130 ? -10.43900 -18.55700 15.91200 1.000 45.39000 ? 130 VAL A HA 1 +ATOM 2028 H HB . VAL A 1 130 ? -9.22000 -16.54100 14.34100 1.000 47.31000 ? 130 VAL A HB 1 +ATOM 2029 H HG11 . VAL A 1 130 ? -7.78500 -18.37000 13.65800 1.000 46.38000 ? 130 VAL A HG11 1 +ATOM 2030 H HG12 . VAL A 1 130 ? -7.50800 -17.79000 15.11000 1.000 46.38000 ? 130 VAL A HG12 1 +ATOM 2031 H HG13 . VAL A 1 130 ? -8.32800 -19.13900 14.93700 1.000 46.38000 ? 130 VAL A HG13 1 +ATOM 2032 H HG21 . VAL A 1 130 ? -9.73700 -17.91100 12.50600 1.000 53.59000 ? 130 VAL A HG21 1 +ATOM 2033 H HG22 . VAL A 1 130 ? -10.53400 -18.88000 13.48100 1.000 53.59000 ? 130 VAL A HG22 1 +ATOM 2034 H HG23 . VAL A 1 130 ? -11.05100 -17.39800 13.23700 1.000 53.59000 ? 130 VAL A HG23 1 +ATOM 2035 N N . CYS A 1 131 ? -9.12600 -15.89400 17.14100 1.000 38.90203 ? 131 CYS A N 1 +ATOM 2036 C CA A CYS A 1 131 ? -8.17600 -15.41300 18.14200 0.530 41.15493 ? 131 CYS A CA 1 +ATOM 2037 C CA B CYS A 1 131 ? -8.16300 -15.43400 18.13600 0.470 41.14704 ? 131 CYS A CA 1 +ATOM 2038 C C . CYS A 1 131 ? -8.60700 -15.79500 19.55000 1.000 40.38905 ? 131 CYS A C 1 +ATOM 2039 O O . CYS A 1 131 ? -7.78500 -16.20300 20.37400 1.000 38.55725 ? 131 CYS A O 1 +ATOM 2040 C CB A CYS A 1 131 ? -8.03600 -13.89600 18.04500 0.530 43.98685 ? 131 CYS A CB 1 +ATOM 2041 C CB B CYS A 1 131 ? -7.94700 -13.92600 18.01100 0.470 43.97896 ? 131 CYS A CB 1 +ATOM 2042 S SG A CYS A 1 131 ? -7.22500 -13.33000 16.57400 0.530 42.78408 ? 131 CYS A SG 1 +ATOM 2043 S SG B CYS A 1 131 ? -6.63600 -13.28900 19.09300 0.470 41.93924 ? 131 CYS A SG 1 +ATOM 2044 H H A CYS A 1 131 ? -9.52100 -15.27500 16.69400 0.530 46.69000 ? 131 CYS A H 1 +ATOM 2045 H H B CYS A 1 131 ? -9.52500 -15.27100 16.70200 0.470 46.69000 ? 131 CYS A H 1 +ATOM 2046 H HA A CYS A 1 131 ? -7.31400 -15.81900 17.96200 0.530 49.40000 ? 131 CYS A HA 1 +ATOM 2047 H HA B CYS A 1 131 ? -7.31400 -15.87200 17.96700 0.470 49.39000 ? 131 CYS A HA 1 +ATOM 2048 H HB2 A CYS A 1 131 ? -8.92200 -13.50100 18.06200 0.530 52.80000 ? 131 CYS A HB2 1 +ATOM 2049 H HB2 B CYS A 1 131 ? -7.70300 -13.72100 17.09500 0.470 52.79000 ? 131 CYS A HB2 1 +ATOM 2050 H HB3 A CYS A 1 131 ? -7.51900 -13.58400 18.80400 0.530 52.80000 ? 131 CYS A HB3 1 +ATOM 2051 H HB3 B CYS A 1 131 ? -8.77200 -13.47200 18.24400 0.470 52.79000 ? 131 CYS A HB3 1 +ATOM 2052 H HG A CYS A 1 131 ? -7.75200 -13.83200 15.61900 0.530 51.35000 ? 131 CYS A HG 1 +ATOM 2053 H HG B CYS A 1 131 ? -6.45900 -12.12700 18.85000 0.470 50.34000 ? 131 CYS A HG 1 +ATOM 2054 N N . ILE A 1 132 ? -9.90200 -15.66200 19.84900 1.000 39.50737 ? 132 ILE A N 1 +ATOM 2055 C CA . ILE A 1 132 ? -10.33000 -15.95300 21.22300 1.000 43.73945 ? 132 ILE A CA 1 +ATOM 2056 C C . ILE A 1 132 ? -10.15200 -17.43000 21.54800 1.000 44.41322 ? 132 ILE A C 1 +ATOM 2057 O O . ILE A 1 132 ? -9.83100 -17.78600 22.69100 1.000 43.53417 ? 132 ILE A O 1 +ATOM 2058 C CB . ILE A 1 132 ? -11.76700 -15.48400 21.45700 1.000 45.03172 ? 132 ILE A CB 1 +ATOM 2059 C CG1 . ILE A 1 132 ? -12.06100 -15.42600 22.96500 1.000 45.18436 ? 132 ILE A CG1 1 +ATOM 2060 C CG2 . ILE A 1 132 ? -12.76100 -16.39300 20.78300 1.000 43.92895 ? 132 ILE A CG2 1 +ATOM 2061 C CD1 . ILE A 1 132 ? -11.24700 -14.37000 23.71400 1.000 48.62951 ? 132 ILE A CD1 1 +ATOM 2062 H H . ILE A 1 132 ? -10.52200 -15.41900 19.30500 1.000 47.42000 ? 132 ILE A H 1 +ATOM 2063 H HA . ILE A 1 132 ? -9.76000 -15.45100 21.82700 1.000 52.50000 ? 132 ILE A HA 1 +ATOM 2064 H HB . ILE A 1 132 ? -11.85300 -14.59800 21.07200 1.000 54.05000 ? 132 ILE A HB 1 +ATOM 2065 H HG12 . ILE A 1 132 ? -13.00100 -15.22000 23.09200 1.000 54.23000 ? 132 ILE A HG12 1 +ATOM 2066 H HG13 . ILE A 1 132 ? -11.85600 -16.29000 23.35600 1.000 54.23000 ? 132 ILE A HG13 1 +ATOM 2067 H HG21 . ILE A 1 132 ? -13.61900 -15.94500 20.73700 1.000 52.73000 ? 132 ILE A HG21 1 +ATOM 2068 H HG22 . ILE A 1 132 ? -12.44600 -16.59700 19.88800 1.000 52.73000 ? 132 ILE A HG22 1 +ATOM 2069 H HG23 . ILE A 1 132 ? -12.84100 -17.21100 21.29900 1.000 52.73000 ? 132 ILE A HG23 1 +ATOM 2070 H HD11 . ILE A 1 132 ? -11.67400 -14.18500 24.56400 1.000 58.37000 ? 132 ILE A HD11 1 +ATOM 2071 H HD12 . ILE A 1 132 ? -10.35000 -14.70900 23.86100 1.000 58.37000 ? 132 ILE A HD12 1 +ATOM 2072 H HD13 . ILE A 1 132 ? -11.21100 -13.56100 23.17900 1.000 58.37000 ? 132 ILE A HD13 1 +ATOM 2073 N N . GLN A 1 133 ? -10.31900 -18.31300 20.55900 1.000 38.74938 ? 133 GLN A N 1 +ATOM 2074 C CA . GLN A 1 133 ? -10.09100 -19.73300 20.79800 1.000 45.34491 ? 133 GLN A CA 1 +ATOM 2075 C C . GLN A 1 133 ? -8.60800 -20.02600 20.96200 1.000 42.93673 ? 133 GLN A C 1 +ATOM 2076 O O . GLN A 1 133 ? -8.21100 -20.81100 21.84000 1.000 40.56539 ? 133 GLN A O 1 +ATOM 2077 C CB . GLN A 1 133 ? -10.67800 -20.56400 19.65500 1.000 37.74400 ? 133 GLN A CB 1 +ATOM 2078 C CG . GLN A 1 133 ? -12.19700 -20.42400 19.56400 1.000 39.55737 ? 133 GLN A CG 1 +ATOM 2079 C CD . GLN A 1 133 ? -12.79000 -21.18700 18.38800 1.000 43.81052 ? 133 GLN A CD 1 +ATOM 2080 O OE1 . GLN A 1 133 ? -12.89600 -22.40500 18.42700 1.000 47.70835 ? 133 GLN A OE1 1 +ATOM 2081 N NE2 . GLN A 1 133 ? -13.19100 -20.46400 17.34400 1.000 42.84987 ? 133 GLN A NE2 1 +ATOM 2082 H H . GLN A 1 133 ? -10.55900 -18.11700 19.75700 1.000 46.51000 ? 133 GLN A H 1 +ATOM 2083 H HA . GLN A 1 133 ? -10.54500 -19.99000 21.61600 1.000 54.43000 ? 133 GLN A HA 1 +ATOM 2084 H HB2 . GLN A 1 133 ? -10.29500 -20.26500 18.81600 1.000 45.23000 ? 133 GLN A HB2 1 +ATOM 2085 H HB3 . GLN A 1 133 ? -10.46800 -21.50000 19.80200 1.000 45.23000 ? 133 GLN A HB3 1 +ATOM 2086 H HG2 . GLN A 1 133 ? -12.59600 -20.77100 20.37700 1.000 47.48000 ? 133 GLN A HG2 1 +ATOM 2087 H HG3 . GLN A 1 133 ? -12.42200 -19.48700 19.45700 1.000 47.48000 ? 133 GLN A HG3 1 +ATOM 2088 H HE21 . GLN A 1 133 ? -13.10800 -19.60800 17.35700 1.000 51.43000 ? 133 GLN A HE21 1 +ATOM 2089 H HE22 . GLN A 1 133 ? -13.53200 -20.85300 16.65700 1.000 51.43000 ? 133 GLN A HE22 1 +ATOM 2090 N N . HIS A 1 134 ? -7.77800 -19.41200 20.11800 1.000 37.14393 ? 134 HIS A N 1 +ATOM 2091 C CA . HIS A 1 134 ? -6.33300 -19.55400 20.26600 1.000 38.94414 ? 134 HIS A CA 1 +ATOM 2092 C C . HIS A 1 134 ? -5.88600 -19.09800 21.64300 1.000 36.23592 ? 134 HIS A C 1 +ATOM 2093 O O . HIS A 1 134 ? -5.11900 -19.80000 22.32400 1.000 39.89689 ? 134 HIS A O 1 +ATOM 2094 C CB . HIS A 1 134 ? -5.65500 -18.75400 19.15400 1.000 42.01030 ? 134 HIS A CB 1 +ATOM 2095 C CG . HIS A 1 134 ? -4.16100 -18.80800 19.16200 1.000 38.96783 ? 134 HIS A CG 1 +ATOM 2096 N ND1 . HIS A 1 134 ? -3.43800 -19.34600 18.12200 1.000 39.74950 ? 134 HIS A ND1 1 +ATOM 2097 C CD2 . HIS A 1 134 ? -3.25300 -18.33900 20.05300 1.000 38.41513 ? 134 HIS A CD2 1 +ATOM 2098 C CE1 . HIS A 1 134 ? -2.14800 -19.22400 18.37500 1.000 41.13914 ? 134 HIS A CE1 1 +ATOM 2099 N NE2 . HIS A 1 134 ? -2.00800 -18.62300 19.54800 1.000 36.63860 ? 134 HIS A NE2 1 +ATOM 2100 H H . HIS A 1 134 ? -8.02300 -18.91500 19.46100 1.000 44.59000 ? 134 HIS A H 1 +ATOM 2101 H HA . HIS A 1 134 ? -6.06800 -20.48300 20.17500 1.000 46.75000 ? 134 HIS A HA 1 +ATOM 2102 H HB2 . HIS A 1 134 ? -5.95500 -19.10100 18.29900 1.000 50.42000 ? 134 HIS A HB2 1 +ATOM 2103 H HB3 . HIS A 1 134 ? -5.91400 -17.82400 19.24400 1.000 50.42000 ? 134 HIS A HB3 1 +ATOM 2104 H HD1 . HIS A 1 134 ? -3.77400 -19.70500 17.41700 1.000 47.71000 ? 134 HIS A HD1 1 +ATOM 2105 H HD2 . HIS A 1 134 ? -3.43800 -17.90600 20.85500 1.000 46.11000 ? 134 HIS A HD2 1 +ATOM 2106 H HE1 . HIS A 1 134 ? -1.45500 -19.51200 17.82500 1.000 49.38000 ? 134 HIS A HE1 1 +ATOM 2107 N N . GLU A 1 135 ? -6.40200 -17.95700 22.09700 1.000 35.95957 ? 135 GLU A N 1 +ATOM 2108 C CA . GLU A 1 135 ? -5.95100 -17.39800 23.37700 1.000 42.84198 ? 135 GLU A CA 1 +ATOM 2109 C C . GLU A 1 135 ? -6.51500 -18.18900 24.56300 1.000 42.06820 ? 135 GLU A C 1 +ATOM 2110 O O . GLU A 1 135 ? -5.80000 -18.44900 25.53400 1.000 38.96783 ? 135 GLU A O 1 +ATOM 2111 C CB . GLU A 1 135 ? -6.33200 -15.92400 23.46400 1.000 44.02896 ? 135 GLU A CB 1 +ATOM 2112 C CG . GLU A 1 135 ? -5.78700 -15.04500 22.31600 1.000 47.70572 ? 135 GLU A CG 1 +ATOM 2113 C CD . GLU A 1 135 ? -4.26800 -15.00600 22.24800 1.000 53.92489 ? 135 GLU A CD 1 +ATOM 2114 O OE1 . GLU A 1 135 ? -3.60300 -15.56600 23.14300 1.000 55.91460 ? 135 GLU A OE1 1 +ATOM 2115 O OE2 . GLU A 1 135 ? -3.72700 -14.40600 21.28400 1.000 54.56181 ? 135 GLU A OE2 1 +ATOM 2116 H H . GLU A 1 135 ? -7.00300 -17.49200 21.69400 1.000 43.16000 ? 135 GLU A H 1 +ATOM 2117 H HA . GLU A 1 135 ? -4.98400 -17.45700 23.42300 1.000 51.42000 ? 135 GLU A HA 1 +ATOM 2118 H HB2 . GLU A 1 135 ? -7.29900 -15.85500 23.45100 1.000 52.84000 ? 135 GLU A HB2 1 +ATOM 2119 H HB3 . GLU A 1 135 ? -5.98500 -15.56500 24.29600 1.000 52.84000 ? 135 GLU A HB3 1 +ATOM 2120 H HG2 . GLU A 1 135 ? -6.11300 -15.39600 21.47300 1.000 57.26000 ? 135 GLU A HG2 1 +ATOM 2121 H HG3 . GLU A 1 135 ? -6.10200 -14.13600 22.44200 1.000 57.26000 ? 135 GLU A HG3 1 +ATOM 2122 N N . CYS A 1 136 ? -7.78500 -18.58000 24.50800 1.000 38.00456 ? 136 CYS A N 1 +ATOM 2123 C CA . CYS A 1 136 ? -8.32900 -19.43300 25.56800 1.000 42.35771 ? 136 CYS A CA 1 +ATOM 2124 C C . CYS A 1 136 ? -7.58100 -20.76000 25.64900 1.000 46.65033 ? 136 CYS A C 1 +ATOM 2125 O O . CYS A 1 136 ? -7.32400 -21.26700 26.75100 1.000 48.77427 ? 136 CYS A O 1 +ATOM 2126 C CB . CYS A 1 136 ? -9.83000 -19.68200 25.35400 1.000 39.40472 ? 136 CYS A CB 1 +ATOM 2127 S SG . CYS A 1 136 ? -10.83700 -18.21300 25.80000 1.000 51.49565 ? 136 CYS A SG 1 +ATOM 2128 H H . CYS A 1 136 ? -8.34200 -18.37300 23.88500 1.000 45.62000 ? 136 CYS A H 1 +ATOM 2129 H HA . CYS A 1 136 ? -8.22500 -18.96800 26.41300 1.000 50.84000 ? 136 CYS A HA 1 +ATOM 2130 H HB2 . CYS A 1 136 ? -9.98900 -19.88700 24.42000 1.000 47.30000 ? 136 CYS A HB2 1 +ATOM 2131 H HB3 . CYS A 1 136 ? -10.11300 -20.42400 25.91000 1.000 47.30000 ? 136 CYS A HB3 1 +ATOM 2132 H HG . CYS A 1 136 ? -11.99600 -18.46700 25.62500 1.000 61.81000 ? 136 CYS A HG 1 +ATOM 2133 N N . ASP A 1 137 ? -7.24500 -21.34600 24.49500 1.000 37.56240 ? 137 ASP A N 1 +ATOM 2134 C CA . ASP A 1 137 ? -6.42700 -22.54400 24.47600 1.000 42.14453 ? 137 ASP A CA 1 +ATOM 2135 C C . ASP A 1 137 ? -5.18500 -22.37600 25.34700 1.000 44.02896 ? 137 ASP A C 1 +ATOM 2136 O O . ASP A 1 137 ? -4.85300 -23.26100 26.15500 1.000 39.48895 ? 137 ASP A O 1 +ATOM 2137 C CB . ASP A 1 137 ? -6.03900 -22.89800 23.02900 1.000 38.06509 ? 137 ASP A CB 1 +ATOM 2138 C CG . ASP A 1 137 ? -7.11200 -23.70100 22.31900 1.000 42.35771 ? 137 ASP A CG 1 +ATOM 2139 O OD1 . ASP A 1 137 ? -8.18000 -23.91700 22.93600 1.000 45.45282 ? 137 ASP A OD1 1 +ATOM 2140 O OD2 . ASP A 1 137 ? -6.88900 -24.12800 21.15300 1.000 41.12862 ? 137 ASP A OD2 1 +ATOM 2141 H H . ASP A 1 137 ? -7.48000 -21.06600 23.71700 1.000 45.02000 ? 137 ASP A H 1 +ATOM 2142 H HA . ASP A 1 137 ? -6.94600 -23.28200 24.83300 1.000 50.59000 ? 137 ASP A HA 1 +ATOM 2143 H HB2 . ASP A 1 137 ? -5.89600 -22.07900 22.52900 1.000 45.69000 ? 137 ASP A HB2 1 +ATOM 2144 H HB3 . ASP A 1 137 ? -5.22500 -23.42600 23.03900 1.000 45.69000 ? 137 ASP A HB3 1 +ATOM 2145 N N . HIS A 1 138 ? -4.47600 -21.25300 25.18700 1.000 39.32577 ? 138 HIS A N 1 +ATOM 2146 C CA . HIS A 1 138 ? -3.26900 -21.03900 25.97300 1.000 37.75453 ? 138 HIS A CA 1 +ATOM 2147 C C . HIS A 1 138 ? -3.55900 -21.11300 27.47000 1.000 41.88923 ? 138 HIS A C 1 +ATOM 2148 O O . HIS A 1 138 ? -2.75800 -21.65500 28.23600 1.000 40.31536 ? 138 HIS A O 1 +ATOM 2149 C CB . HIS A 1 138 ? -2.65100 -19.67400 25.69000 1.000 37.63872 ? 138 HIS A CB 1 +ATOM 2150 C CG . HIS A 1 138 ? -1.76800 -19.61800 24.48800 1.000 37.82559 ? 138 HIS A CG 1 +ATOM 2151 N ND1 . HIS A 1 138 ? -0.60900 -20.35300 24.37500 1.000 35.67533 ? 138 HIS A ND1 1 +ATOM 2152 C CD2 . HIS A 1 138 ? -1.84300 -18.86000 23.36200 1.000 43.24203 ? 138 HIS A CD2 1 +ATOM 2153 C CE1 . HIS A 1 138 ? -0.02700 -20.08100 23.21600 1.000 39.83636 ? 138 HIS A CE1 1 +ATOM 2154 N NE2 . HIS A 1 138 ? -0.75100 -19.16800 22.58800 1.000 36.51754 ? 138 HIS A NE2 1 +ATOM 2155 H H . HIS A 1 138 ? -4.67200 -20.61600 24.64300 1.000 47.20000 ? 138 HIS A H 1 +ATOM 2156 H HA . HIS A 1 138 ? -2.64100 -21.73200 25.71400 1.000 45.31000 ? 138 HIS A HA 1 +ATOM 2157 H HB2 . HIS A 1 138 ? -3.36800 -19.03500 25.55400 1.000 45.18000 ? 138 HIS A HB2 1 +ATOM 2158 H HB3 . HIS A 1 138 ? -2.11600 -19.41400 26.45600 1.000 45.18000 ? 138 HIS A HB3 1 +ATOM 2159 H HD1 . HIS A 1 138 ? -0.31000 -20.90300 24.96500 1.000 42.82000 ? 138 HIS A HD1 1 +ATOM 2160 H HD2 . HIS A 1 138 ? -2.51000 -18.24600 23.15500 1.000 51.90000 ? 138 HIS A HD2 1 +ATOM 2161 H HE1 . HIS A 1 138 ? 0.75700 -20.46700 22.89800 1.000 47.81000 ? 138 HIS A HE1 1 +ATOM 2162 N N . LEU A 1 139 ? -4.67400 -20.51300 27.90300 1.000 38.35197 ? 139 LEU A N 1 +ATOM 2163 C CA . LEU A 1 139 ? -5.04400 -20.51900 29.31300 1.000 39.09416 ? 139 LEU A CA 1 +ATOM 2164 C C . LEU A 1 139 ? -5.37400 -21.90700 29.82600 1.000 47.28198 ? 139 LEU A C 1 +ATOM 2165 O O . LEU A 1 139 ? -5.37600 -22.12300 31.05000 1.000 48.37948 ? 139 LEU A O 1 +ATOM 2166 C CB . LEU A 1 139 ? -6.25000 -19.61800 29.54100 1.000 48.81901 ? 139 LEU A CB 1 +ATOM 2167 C CG . LEU A 1 139 ? -6.09000 -18.15500 29.14100 1.000 44.69483 ? 139 LEU A CG 1 +ATOM 2168 C CD1 . LEU A 1 139 ? -7.38100 -17.42900 29.45300 1.000 46.60296 ? 139 LEU A CD1 1 +ATOM 2169 C CD2 . LEU A 1 139 ? -4.90900 -17.49000 29.81500 1.000 44.23162 ? 139 LEU A CD2 1 +ATOM 2170 H H . LEU A 1 139 ? -5.23100 -20.09600 27.39700 1.000 46.03000 ? 139 LEU A H 1 +ATOM 2171 H HA . LEU A 1 139 ? -4.29200 -20.17500 29.82000 1.000 46.93000 ? 139 LEU A HA 1 +ATOM 2172 H HB2 . LEU A 1 139 ? -6.99300 -19.97400 29.02900 1.000 58.59000 ? 139 LEU A HB2 1 +ATOM 2173 H HB3 . LEU A 1 139 ? -6.46200 -19.63300 30.48700 1.000 58.59000 ? 139 LEU A HB3 1 +ATOM 2174 H HG . LEU A 1 139 ? -5.90400 -18.10400 28.19000 1.000 53.64000 ? 139 LEU A HG 1 +ATOM 2175 H HD11 . LEU A 1 139 ? -7.25200 -16.47900 29.30700 1.000 55.94000 ? 139 LEU A HD11 1 +ATOM 2176 H HD12 . LEU A 1 139 ? -8.07900 -17.76200 28.86700 1.000 55.94000 ? 139 LEU A HD12 1 +ATOM 2177 H HD13 . LEU A 1 139 ? -7.62000 -17.59200 30.37800 1.000 55.94000 ? 139 LEU A HD13 1 +ATOM 2178 H HD21 . LEU A 1 139 ? -4.91900 -16.54200 29.60600 1.000 53.09000 ? 139 LEU A HD21 1 +ATOM 2179 H HD22 . LEU A 1 139 ? -4.97900 -17.61800 30.77400 1.000 53.09000 ? 139 LEU A HD22 1 +ATOM 2180 H HD23 . LEU A 1 139 ? -4.09000 -17.89200 29.48600 1.000 53.09000 ? 139 LEU A HD23 1 +ATOM 2181 N N . ASN A 1 140 ? -5.69300 -22.83900 28.92700 1.000 42.09715 ? 140 ASN A N 1 +ATOM 2182 C CA . ASN A 1 140 ? -5.89200 -24.23500 29.26900 1.000 48.46107 ? 140 ASN A CA 1 +ATOM 2183 C C . ASN A 1 140 ? -4.65000 -25.06400 28.97400 1.000 44.96592 ? 140 ASN A C 1 +ATOM 2184 O O . ASN A 1 140 ? -4.72300 -26.29200 28.92600 1.000 45.93709 ? 140 ASN A O 1 +ATOM 2185 C CB . ASN A 1 140 ? -7.11600 -24.77400 28.53000 1.000 40.39168 ? 140 ASN A CB 1 +ATOM 2186 C CG . ASN A 1 140 ? -8.39100 -24.09900 28.98400 1.000 49.11905 ? 140 ASN A CG 1 +ATOM 2187 O OD1 . ASN A 1 140 ? -8.52800 -23.74700 30.15400 1.000 49.06115 ? 140 ASN A OD1 1 +ATOM 2188 N ND2 . ASN A 1 140 ? -9.32500 -23.89800 28.07100 1.000 53.05636 ? 140 ASN A ND2 1 +ATOM 2189 H H . ASN A 1 140 ? -5.80200 -22.67600 28.08900 1.000 50.53000 ? 140 ASN A H 1 +ATOM 2190 H HA . ASN A 1 140 ? -6.07300 -24.31900 30.21900 1.000 58.16000 ? 140 ASN A HA 1 +ATOM 2191 H HB2 . ASN A 1 140 ? -7.01100 -24.61600 27.57900 1.000 48.41000 ? 140 ASN A HB2 1 +ATOM 2192 H HB3 . ASN A 1 140 ? -7.19900 -25.72600 28.70000 1.000 48.41000 ? 140 ASN A HB3 1 +ATOM 2193 H HD21 . ASN A 1 140 ? -10.06400 -23.51700 28.28900 1.000 63.68000 ? 140 ASN A HD21 1 +ATOM 2194 H HD22 . ASN A 1 140 ? -9.19300 -24.14800 27.25900 1.000 63.68000 ? 140 ASN A HD22 1 +ATOM 2195 N N . GLY A 1 141 ? -3.51100 -24.41200 28.77700 1.000 41.86291 ? 141 GLY A N 1 +ATOM 2196 C CA . GLY A 1 141 ? -2.29100 -25.13900 28.50600 1.000 47.32936 ? 141 GLY A CA 1 +ATOM 2197 C C . GLY A 1 141 ? -2.21600 -25.77200 27.13900 1.000 45.66600 ? 141 GLY A C 1 +ATOM 2198 O O . GLY A 1 141 ? -1.45200 -26.71300 26.94900 1.000 43.02621 ? 141 GLY A O 1 +ATOM 2199 H H . GLY A 1 141 ? -3.42400 -23.55700 28.79500 1.000 50.25000 ? 141 GLY A H 1 +ATOM 2200 H HA2 . GLY A 1 141 ? -1.54200 -24.52900 28.59100 1.000 56.81000 ? 141 GLY A HA2 1 +ATOM 2201 H HA3 . GLY A 1 141 ? -2.19900 -25.84600 29.16400 1.000 56.81000 ? 141 GLY A HA3 1 +ATOM 2202 N N . LYS A 1 142 ? -2.96100 -25.25600 26.16800 1.000 44.32110 ? 142 LYS A N 1 +ATOM 2203 C CA . LYS A 1 142 ? -3.00100 -25.80600 24.82500 1.000 43.00779 ? 142 LYS A CA 1 +ATOM 2204 C C . LYS A 1 142 ? -2.39000 -24.84400 23.81100 1.000 40.86806 ? 142 LYS A C 1 +ATOM 2205 O O . LYS A 1 142 ? -2.58900 -23.62100 23.88800 1.000 42.14189 ? 142 LYS A O 1 +ATOM 2206 C CB . LYS A 1 142 ? -4.44500 -26.12900 24.42900 1.000 42.65248 ? 142 LYS A CB 1 +ATOM 2207 C CG . LYS A 1 142 ? -4.57600 -26.83700 23.08900 1.000 53.94594 ? 142 LYS A CG 1 +ATOM 2208 C CD . LYS A 1 142 ? -5.99700 -27.36300 22.87800 1.000 69.45833 ? 142 LYS A CD 1 +ATOM 2209 C CE . LYS A 1 142 ? -5.99300 -28.62700 22.01500 1.000 82.69939 ? 142 LYS A CE 1 +ATOM 2210 N NZ . LYS A 1 142 ? -7.36700 -29.13800 21.71800 1.000 75.34588 ? 142 LYS A NZ 1 +ATOM 2211 H H . LYS A 1 142 ? -3.46500 -24.56600 26.27000 1.000 53.20000 ? 142 LYS A H 1 +ATOM 2212 H HA . LYS A 1 142 ? -2.47100 -26.61800 24.80000 1.000 51.62000 ? 142 LYS A HA 1 +ATOM 2213 H HB2 . LYS A 1 142 ? -4.83100 -26.70600 25.10600 1.000 51.19000 ? 142 LYS A HB2 1 +ATOM 2214 H HB3 . LYS A 1 142 ? -4.94500 -25.30000 24.37500 1.000 51.19000 ? 142 LYS A HB3 1 +ATOM 2215 H HG2 . LYS A 1 142 ? -4.37200 -26.21400 22.37400 1.000 64.75000 ? 142 LYS A HG2 1 +ATOM 2216 H HG3 . LYS A 1 142 ? -3.96400 -27.58800 23.05900 1.000 64.75000 ? 142 LYS A HG3 1 +ATOM 2217 H HD2 . LYS A 1 142 ? -6.39100 -27.58000 23.73800 1.000 83.36000 ? 142 LYS A HD2 1 +ATOM 2218 H HD3 . LYS A 1 142 ? -6.52900 -26.68700 22.43000 1.000 83.36000 ? 142 LYS A HD3 1 +ATOM 2219 H HE2 . LYS A 1 142 ? -5.55900 -28.43000 21.17000 1.000 99.25000 ? 142 LYS A HE2 1 +ATOM 2220 H HE3 . LYS A 1 142 ? -5.50900 -29.32600 22.48200 1.000 99.25000 ? 142 LYS A HE3 1 +ATOM 2221 H HZ1 . LYS A 1 142 ? -7.31800 -29.94400 21.34600 1.000 90.43000 ? 142 LYS A HZ1 1 +ATOM 2222 H HZ2 . LYS A 1 142 ? -7.84000 -29.19500 22.47100 1.000 90.43000 ? 142 LYS A HZ2 1 +ATOM 2223 H HZ3 . LYS A 1 142 ? -7.78300 -28.58500 21.15800 1.000 90.43000 ? 142 LYS A HZ3 1 +ATOM 2224 N N . LEU A 1 143 ? -1.64700 -25.41600 22.86700 1.000 38.78360 ? 143 LEU A N 1 +ATOM 2225 C CA . LEU A 1 143 ? -0.98200 -24.72100 21.77600 1.000 41.01808 ? 143 LEU A CA 1 +ATOM 2226 C C . LEU A 1 143 ? -1.53200 -25.22000 20.44800 1.000 36.79652 ? 143 LEU A C 1 +ATOM 2227 O O . LEU A 1 143 ? -2.04300 -26.33200 20.35300 1.000 39.79951 ? 143 LEU A O 1 +ATOM 2228 C CB . LEU A 1 143 ? 0.53500 -24.96000 21.80800 1.000 42.07083 ? 143 LEU A CB 1 +ATOM 2229 C CG . LEU A 1 143 ? 1.21900 -24.67700 23.15000 1.000 47.07670 ? 143 LEU A CG 1 +ATOM 2230 C CD1 . LEU A 1 143 ? 2.63500 -25.22000 23.19300 1.000 45.39755 ? 143 LEU A CD1 1 +ATOM 2231 C CD2 . LEU A 1 143 ? 1.21200 -23.17400 23.37300 1.000 43.43152 ? 143 LEU A CD2 1 +ATOM 2232 H H . LEU A 1 143 ? -1.50600 -26.26400 22.83700 1.000 46.55000 ? 143 LEU A H 1 +ATOM 2233 H HA . LEU A 1 143 ? -1.14800 -23.76800 21.85300 1.000 49.23000 ? 143 LEU A HA 1 +ATOM 2234 H HB2 . LEU A 1 143 ? 0.70200 -25.89000 21.58900 1.000 50.50000 ? 143 LEU A HB2 1 +ATOM 2235 H HB3 . LEU A 1 143 ? 0.94800 -24.38400 21.14600 1.000 50.50000 ? 143 LEU A HB3 1 +ATOM 2236 H HG . LEU A 1 143 ? 0.73900 -25.12400 23.86400 1.000 56.50000 ? 143 LEU A HG 1 +ATOM 2237 H HD11 . LEU A 1 143 ? 3.03400 -24.99400 24.04700 1.000 54.49000 ? 143 LEU A HD11 1 +ATOM 2238 H HD12 . LEU A 1 143 ? 2.60600 -26.18400 23.08600 1.000 54.49000 ? 143 LEU A HD12 1 +ATOM 2239 H HD13 . LEU A 1 143 ? 3.14800 -24.82200 22.47200 1.000 54.49000 ? 143 LEU A HD13 1 +ATOM 2240 H HD21 . LEU A 1 143 ? 1.66900 -22.97600 24.20600 1.000 52.13000 ? 143 LEU A HD21 1 +ATOM 2241 H HD22 . LEU A 1 143 ? 1.66800 -22.74200 22.63400 1.000 52.13000 ? 143 LEU A HD22 1 +ATOM 2242 H HD23 . LEU A 1 143 ? 0.29300 -22.86600 23.42000 1.000 52.13000 ? 143 LEU A HD23 1 +ATOM 2243 N N . PHE A 1 144 ? -1.39500 -24.40500 19.40500 1.000 36.81757 ? 144 PHE A N 1 +ATOM 2244 C CA . PHE A 1 144 ? -2.01200 -24.77300 18.13400 1.000 35.66743 ? 144 PHE A CA 1 +ATOM 2245 C C . PHE A 1 144 ? -1.34600 -25.99000 17.51200 1.000 35.79640 ? 144 PHE A C 1 +ATOM 2246 O O . PHE A 1 144 ? -1.98500 -26.70400 16.73600 1.000 40.66540 ? 144 PHE A O 1 +ATOM 2247 C CB . PHE A 1 144 ? -2.02800 -23.56400 17.19300 1.000 39.35998 ? 144 PHE A CB 1 +ATOM 2248 C CG . PHE A 1 144 ? -0.74300 -23.31900 16.43600 1.000 36.81494 ? 144 PHE A CG 1 +ATOM 2249 C CD1 . PHE A 1 144 ? -0.51300 -23.93500 15.22500 1.000 40.00480 ? 144 PHE A CD1 1 +ATOM 2250 C CD2 . PHE A 1 144 ? 0.20500 -22.44600 16.92600 1.000 40.07849 ? 144 PHE A CD2 1 +ATOM 2251 C CE1 . PHE A 1 144 ? 0.65800 -23.69800 14.51500 1.000 44.59745 ? 144 PHE A CE1 1 +ATOM 2252 C CE2 . PHE A 1 144 ? 1.38300 -22.19300 16.21500 1.000 41.54445 ? 144 PHE A CE2 1 +ATOM 2253 C CZ . PHE A 1 144 ? 1.60600 -22.83700 15.01000 1.000 37.29131 ? 144 PHE A CZ 1 +ATOM 2254 H H . PHE A 1 144 ? -0.96400 -23.66000 19.40600 1.000 44.19000 ? 144 PHE A H 1 +ATOM 2255 H HA . PHE A 1 144 ? -2.94100 -25.01600 18.27200 1.000 42.81000 ? 144 PHE A HA 1 +ATOM 2256 H HB2 . PHE A 1 144 ? -2.73000 -23.69600 16.53700 1.000 47.24000 ? 144 PHE A HB2 1 +ATOM 2257 H HB3 . PHE A 1 144 ? -2.21000 -22.77000 17.71900 1.000 47.24000 ? 144 PHE A HB3 1 +ATOM 2258 H HD1 . PHE A 1 144 ? -1.15000 -24.51700 14.87700 1.000 48.02000 ? 144 PHE A HD1 1 +ATOM 2259 H HD2 . PHE A 1 144 ? 0.05900 -22.01900 17.73900 1.000 48.11000 ? 144 PHE A HD2 1 +ATOM 2260 H HE1 . PHE A 1 144 ? 0.80100 -24.12500 13.70100 1.000 53.53000 ? 144 PHE A HE1 1 +ATOM 2261 H HE2 . PHE A 1 144 ? 2.01300 -21.59700 16.55000 1.000 49.87000 ? 144 PHE A HE2 1 +ATOM 2262 H HZ . PHE A 1 144 ? 2.39400 -22.68800 14.53900 1.000 44.76000 ? 144 PHE A HZ 1 +ATOM 2263 N N . VAL A 1 145 ? -0.09500 -26.27800 17.86900 1.000 38.77307 ? 145 VAL A N 1 +ATOM 2264 C CA . VAL A 1 145 ? 0.57100 -27.46400 17.36800 1.000 37.11498 ? 145 VAL A CA 1 +ATOM 2265 C C . VAL A 1 145 ? -0.08600 -28.74200 17.88400 1.000 39.22049 ? 145 VAL A C 1 +ATOM 2266 O O . VAL A 1 145 ? 0.13200 -29.80900 17.30300 1.000 41.61552 ? 145 VAL A O 1 +ATOM 2267 C CB . VAL A 1 145 ? 2.06300 -27.45800 17.74600 1.000 41.23389 ? 145 VAL A CB 1 +ATOM 2268 C CG1 . VAL A 1 145 ? 2.75100 -26.27300 17.07900 1.000 44.18688 ? 145 VAL A CG1 1 +ATOM 2269 C CG2 . VAL A 1 145 ? 2.25700 -27.42700 19.26000 1.000 43.83683 ? 145 VAL A CG2 1 +ATOM 2270 H H . VAL A 1 145 ? 0.38500 -25.80100 18.39900 1.000 46.54000 ? 145 VAL A H 1 +ATOM 2271 H HA . VAL A 1 145 ? 0.50100 -27.44900 16.40100 1.000 44.55000 ? 145 VAL A HA 1 +ATOM 2272 H HB . VAL A 1 145 ? 2.47400 -28.27800 17.43000 1.000 49.49000 ? 145 VAL A HB 1 +ATOM 2273 H HG11 . VAL A 1 145 ? 3.69600 -26.29500 17.29400 1.000 53.04000 ? 145 VAL A HG11 1 +ATOM 2274 H HG12 . VAL A 1 145 ? 2.62800 -26.33600 16.11900 1.000 53.04000 ? 145 VAL A HG12 1 +ATOM 2275 H HG13 . VAL A 1 145 ? 2.35500 -25.45200 17.41000 1.000 53.04000 ? 145 VAL A HG13 1 +ATOM 2276 H HG21 . VAL A 1 145 ? 3.20500 -27.35900 19.45600 1.000 52.62000 ? 145 VAL A HG21 1 +ATOM 2277 H HG22 . VAL A 1 145 ? 1.78900 -26.65800 19.62200 1.000 52.62000 ? 145 VAL A HG22 1 +ATOM 2278 H HG23 . VAL A 1 145 ? 1.89700 -28.24300 19.64100 1.000 52.62000 ? 145 VAL A HG23 1 +ATOM 2279 N N . ASP A 1 146 ? -0.88900 -28.65800 18.96400 1.000 39.27050 ? 146 ASP A N 1 +ATOM 2280 C CA . ASP A 1 146 ? -1.58600 -29.83100 19.46900 1.000 42.90251 ? 146 ASP A CA 1 +ATOM 2281 C C . ASP A 1 146 ? -2.65200 -30.31200 18.49200 1.000 48.90850 ? 146 ASP A C 1 +ATOM 2282 O O . ASP A 1 146 ? -3.10100 -31.45700 18.59800 1.000 44.73431 ? 146 ASP A O 1 +ATOM 2283 C CB . ASP A 1 146 ? -2.20800 -29.54500 20.82200 1.000 37.99666 ? 146 ASP A CB 1 +ATOM 2284 C CG . ASP A 1 146 ? -1.16100 -29.16300 21.88000 1.000 50.40868 ? 146 ASP A CG 1 +ATOM 2285 O OD1 . ASP A 1 146 ? 0.00300 -29.60700 21.76200 1.000 47.26356 ? 146 ASP A OD1 1 +ATOM 2286 O OD2 . ASP A 1 146 ? -1.49300 -28.40000 22.81600 1.000 47.91890 ? 146 ASP A OD2 1 +ATOM 2287 H H . ASP A 1 146 ? -1.03800 -27.93700 19.40900 1.000 47.14000 ? 146 ASP A H 1 +ATOM 2288 H HA . ASP A 1 146 ? -0.94300 -30.54600 19.59700 1.000 51.49000 ? 146 ASP A HA 1 +ATOM 2289 H HB2 . ASP A 1 146 ? -2.83200 -28.80800 20.73500 1.000 45.61000 ? 146 ASP A HB2 1 +ATOM 2290 H HB3 . ASP A 1 146 ? -2.67300 -30.33800 21.13200 1.000 45.61000 ? 146 ASP A HB3 1 +ATOM 2291 N N . TYR A 1 147 ? -3.06400 -29.46400 17.54400 1.000 43.04200 ? 147 TYR A N 1 +ATOM 2292 C CA . TYR A 1 147 ? -4.01500 -29.86800 16.51200 1.000 39.94163 ? 147 TYR A CA 1 +ATOM 2293 C C . TYR A 1 147 ? -3.34000 -30.51000 15.31300 1.000 45.48966 ? 147 TYR A C 1 +ATOM 2294 O O . TYR A 1 147 ? -4.03100 -31.02900 14.42900 1.000 43.54996 ? 147 TYR A O 1 +ATOM 2295 C CB . TYR A 1 147 ? -4.82600 -28.65500 16.02400 1.000 41.34969 ? 147 TYR A CB 1 +ATOM 2296 C CG . TYR A 1 147 ? -5.67500 -28.00600 17.09200 1.000 42.84987 ? 147 TYR A CG 1 +ATOM 2297 C CD1 . TYR A 1 147 ? -5.14700 -27.03600 17.94400 1.000 41.85765 ? 147 TYR A CD1 1 +ATOM 2298 C CD2 . TYR A 1 147 ? -7.00900 -28.36300 17.25300 1.000 51.07718 ? 147 TYR A CD2 1 +ATOM 2299 C CE1 . TYR A 1 147 ? -5.91400 -26.44900 18.91800 1.000 42.00504 ? 147 TYR A CE1 1 +ATOM 2300 C CE2 . TYR A 1 147 ? -7.79000 -27.77800 18.21700 1.000 47.11354 ? 147 TYR A CE2 1 +ATOM 2301 C CZ . TYR A 1 147 ? -7.24500 -26.82900 19.05700 1.000 47.52938 ? 147 TYR A CZ 1 +ATOM 2302 O OH . TYR A 1 147 ? -8.03400 -26.25600 20.02200 1.000 49.69806 ? 147 TYR A OH 1 +ATOM 2303 H H . TYR A 1 147 ? -2.80300 -28.64600 17.48000 1.000 51.66000 ? 147 TYR A H 1 +ATOM 2304 H HA . TYR A 1 147 ? -4.63300 -30.50800 16.90000 1.000 47.94000 ? 147 TYR A HA 1 +ATOM 2305 H HB2 . TYR A 1 147 ? -4.21000 -27.98400 15.69100 1.000 49.63000 ? 147 TYR A HB2 1 +ATOM 2306 H HB3 . TYR A 1 147 ? -5.41900 -28.94400 15.31300 1.000 49.63000 ? 147 TYR A HB3 1 +ATOM 2307 H HD1 . TYR A 1 147 ? -4.25700 -26.78300 17.85000 1.000 50.24000 ? 147 TYR A HD1 1 +ATOM 2308 H HD2 . TYR A 1 147 ? -7.37900 -29.01100 16.69800 1.000 61.31000 ? 147 TYR A HD2 1 +ATOM 2309 H HE1 . TYR A 1 147 ? -5.54900 -25.80400 19.48000 1.000 50.42000 ? 147 TYR A HE1 1 +ATOM 2310 H HE2 . TYR A 1 147 ? -8.68400 -28.01900 18.30400 1.000 56.55000 ? 147 TYR A HE2 1 +ATOM 2311 H HH . TYR A 1 147 ? -7.58600 -25.70300 20.46800 1.000 59.65000 ? 147 TYR A HH 1 +ATOM 2312 N N . LEU A 1 148 ? -2.01800 -30.46400 15.24000 1.000 40.82332 ? 148 LEU A N 1 +ATOM 2313 C CA . LEU A 1 148 ? -1.30400 -30.96200 14.07900 1.000 36.51754 ? 148 LEU A CA 1 +ATOM 2314 C C . LEU A 1 148 ? -0.99900 -32.45200 14.24100 1.000 50.68502 ? 148 LEU A C 1 +ATOM 2315 O O . LEU A 1 148 ? -1.19000 -33.04800 15.30800 1.000 39.81530 ? 148 LEU A O 1 +ATOM 2316 C CB . LEU A 1 148 ? -0.01900 -30.15700 13.88300 1.000 39.67055 ? 148 LEU A CB 1 +ATOM 2317 C CG . LEU A 1 148 ? -0.20500 -28.62800 13.82200 1.000 40.23640 ? 148 LEU A CG 1 +ATOM 2318 C CD1 . LEU A 1 148 ? 1.15200 -27.94500 13.67200 1.000 42.76039 ? 148 LEU A CD1 1 +ATOM 2319 C CD2 . LEU A 1 148 ? -1.16500 -28.23800 12.68300 1.000 39.70213 ? 148 LEU A CD2 1 +ATOM 2320 H H . LEU A 1 148 ? -1.50900 -30.14700 15.85700 1.000 49.00000 ? 148 LEU A H 1 +ATOM 2321 H HA . LEU A 1 148 ? -1.85000 -30.85800 13.28400 1.000 43.76000 ? 148 LEU A HA 1 +ATOM 2322 H HB2 . LEU A 1 148 ? 0.57700 -30.34800 14.62500 1.000 47.62000 ? 148 LEU A HB2 1 +ATOM 2323 H HB3 . LEU A 1 148 ? 0.39100 -30.43400 13.04900 1.000 47.62000 ? 148 LEU A HB3 1 +ATOM 2324 H HG . LEU A 1 148 ? -0.60700 -28.31500 14.64700 1.000 48.30000 ? 148 LEU A HG 1 +ATOM 2325 H HD11 . LEU A 1 148 ? 1.02100 -26.98500 13.64500 1.000 51.32000 ? 148 LEU A HD11 1 +ATOM 2326 H HD12 . LEU A 1 148 ? 1.71000 -28.18200 14.42900 1.000 51.32000 ? 148 LEU A HD12 1 +ATOM 2327 H HD13 . LEU A 1 148 ? 1.56700 -28.24600 12.84800 1.000 51.32000 ? 148 LEU A HD13 1 +ATOM 2328 H HD21 . LEU A 1 148 ? -1.16100 -27.27400 12.58200 1.000 47.66000 ? 148 LEU A HD21 1 +ATOM 2329 H HD22 . LEU A 1 148 ? -0.86600 -28.65800 11.86100 1.000 47.66000 ? 148 LEU A HD22 1 +ATOM 2330 H HD23 . LEU A 1 148 ? -2.05800 -28.54400 12.90500 1.000 47.66000 ? 148 LEU A HD23 1 +ATOM 2331 N N . SER A 1 149 ? -0.53100 -33.06000 13.15300 1.000 44.16845 ? 149 SER A N 1 +ATOM 2332 C CA . SER A 1 149 ? -0.16300 -34.45700 13.22000 1.000 42.29718 ? 149 SER A CA 1 +ATOM 2333 C C . SER A 1 149 ? 1.05700 -34.63800 14.11800 1.000 42.67354 ? 149 SER A C 1 +ATOM 2334 O O . SER A 1 149 ? 1.81400 -33.70700 14.40100 1.000 42.49194 ? 149 SER A O 1 +ATOM 2335 C CB . SER A 1 149 ? 0.15100 -35.00900 11.83600 1.000 47.95049 ? 149 SER A CB 1 +ATOM 2336 O OG . SER A 1 149 ? 1.44500 -34.57500 11.42900 1.000 50.46131 ? 149 SER A OG 1 +ATOM 2337 H H . SER A 1 149 ? -0.42200 -32.68900 12.38400 1.000 53.01000 ? 149 SER A H 1 +ATOM 2338 H HA . SER A 1 149 ? -0.90800 -34.96000 13.58500 1.000 50.77000 ? 149 SER A HA 1 +ATOM 2339 H HB2 . SER A 1 149 ? 0.13200 -35.97900 11.86600 1.000 57.55000 ? 149 SER A HB2 1 +ATOM 2340 H HB3 . SER A 1 149 ? -0.51000 -34.68400 11.20400 1.000 57.55000 ? 149 SER A HB3 1 +ATOM 2341 H HG . SER A 1 149 ? 1.63200 -34.89400 10.67400 1.000 60.56000 ? 149 SER A HG 1 +ATOM 2342 N N . THR A 1 150 ? 1.25100 -35.87700 14.54600 1.000 45.23963 ? 150 THR A N 1 +ATOM 2343 C CA . THR A 1 150 ? 2.34800 -36.20600 15.44800 1.000 48.31106 ? 150 THR A CA 1 +ATOM 2344 C C . THR A 1 150 ? 3.69100 -35.86300 14.82200 1.000 41.82607 ? 150 THR A C 1 +ATOM 2345 O O . THR A 1 150 ? 4.54200 -35.24400 15.46600 1.000 44.32900 ? 150 THR A O 1 +ATOM 2346 C CB . THR A 1 150 ? 2.25000 -37.68400 15.82100 1.000 44.16319 ? 150 THR A CB 1 +ATOM 2347 O OG1 . THR A 1 150 ? 1.02700 -37.89900 16.53800 1.000 48.62425 ? 150 THR A OG1 1 +ATOM 2348 C CG2 . THR A 1 150 ? 3.43400 -38.13200 16.67000 1.000 44.81327 ? 150 THR A CG2 1 +ATOM 2349 H H . THR A 1 150 ? 0.76100 -36.55000 14.33000 1.000 54.30000 ? 150 THR A H 1 +ATOM 2350 H HA . THR A 1 150 ? 2.27900 -35.68500 16.26300 1.000 57.98000 ? 150 THR A HA 1 +ATOM 2351 H HB . THR A 1 150 ? 2.26300 -38.22200 15.01400 1.000 53.01000 ? 150 THR A HB 1 +ATOM 2352 H HG1 . THR A 1 150 ? 1.12500 -38.51900 17.09500 1.000 58.36000 ? 150 THR A HG1 1 +ATOM 2353 H HG21 . THR A 1 150 ? 3.24300 -38.99000 17.08000 1.000 53.79000 ? 150 THR A HG21 1 +ATOM 2354 H HG22 . THR A 1 150 ? 4.22600 -38.21700 16.11600 1.000 53.79000 ? 150 THR A HG22 1 +ATOM 2355 H HG23 . THR A 1 150 ? 3.60700 -37.48100 17.36800 1.000 53.79000 ? 150 THR A HG23 1 +ATOM 2356 N N . LEU A 1 151 ? 3.89000 -36.23200 13.55600 1.000 44.76063 ? 151 LEU A N 1 +ATOM 2357 C CA . LEU A 1 151 ? 5.18000 -35.98200 12.92000 1.000 52.33785 ? 151 LEU A CA 1 +ATOM 2358 C C . LEU A 1 151 ? 5.40700 -34.49300 12.66900 1.000 49.06904 ? 151 LEU A C 1 +ATOM 2359 O O . LEU A 1 151 ? 6.53400 -34.00600 12.81800 1.000 44.39480 ? 151 LEU A O 1 +ATOM 2360 C CB . LEU A 1 151 ? 5.29500 -36.76800 11.61300 1.000 48.94008 ? 151 LEU A CB 1 +ATOM 2361 C CG . LEU A 1 151 ? 5.34500 -38.28000 11.69400 1.000 49.25327 ? 151 LEU A CG 1 +ATOM 2362 C CD1 . LEU A 1 151 ? 5.38900 -38.88900 10.30600 1.000 46.91878 ? 151 LEU A CD1 1 +ATOM 2363 C CD2 . LEU A 1 151 ? 6.53300 -38.78300 12.51600 1.000 54.29072 ? 151 LEU A CD2 1 +ATOM 2364 H H . LEU A 1 151 ? 3.30800 -36.61900 13.05600 1.000 53.73000 ? 151 LEU A H 1 +ATOM 2365 H HA . LEU A 1 151 ? 5.87700 -36.29400 13.51800 1.000 62.82000 ? 151 LEU A HA 1 +ATOM 2366 H HB2 . LEU A 1 151 ? 4.52500 -36.54400 11.06600 1.000 58.74000 ? 151 LEU A HB2 1 +ATOM 2367 H HB3 . LEU A 1 151 ? 6.11000 -36.48500 11.17000 1.000 58.74000 ? 151 LEU A HB3 1 +ATOM 2368 H HG . LEU A 1 151 ? 4.53800 -38.57100 12.14700 1.000 59.11000 ? 151 LEU A HG 1 +ATOM 2369 H HD11 . LEU A 1 151 ? 5.43700 -39.85400 10.38600 1.000 56.32000 ? 151 LEU A HD11 1 +ATOM 2370 H HD12 . LEU A 1 151 ? 4.58500 -38.63600 9.82500 1.000 56.32000 ? 151 LEU A HD12 1 +ATOM 2371 H HD13 . LEU A 1 151 ? 6.17200 -38.55600 9.84000 1.000 56.32000 ? 151 LEU A HD13 1 +ATOM 2372 H HD21 . LEU A 1 151 ? 6.59600 -39.74600 12.42300 1.000 65.16000 ? 151 LEU A HD21 1 +ATOM 2373 H HD22 . LEU A 1 151 ? 7.34500 -38.36500 12.18700 1.000 65.16000 ? 151 LEU A HD22 1 +ATOM 2374 H HD23 . LEU A 1 151 ? 6.39500 -38.54800 13.44700 1.000 65.16000 ? 151 LEU A HD23 1 +ATOM 2375 N N . LYS A 1 152 ? 4.35900 -33.74700 12.27700 1.000 45.58178 ? 152 LYS A N 1 +ATOM 2376 C CA . LYS A 1 152 ? 4.54100 -32.31600 12.07100 1.000 47.42937 ? 152 LYS A CA 1 +ATOM 2377 C C . LYS A 1 152 ? 4.87700 -31.61700 13.37700 1.000 43.88947 ? 152 LYS A C 1 +ATOM 2378 O O . LYS A 1 152 ? 5.79200 -30.78400 13.43200 1.000 42.15242 ? 152 LYS A O 1 +ATOM 2379 C CB . LYS A 1 152 ? 3.29400 -31.67200 11.44300 1.000 44.32900 ? 152 LYS A CB 1 +ATOM 2380 C CG . LYS A 1 152 ? 3.44700 -30.15200 11.25400 1.000 49.10852 ? 152 LYS A CG 1 +ATOM 2381 C CD . LYS A 1 152 ? 2.41200 -29.57200 10.30400 1.000 53.11426 ? 152 LYS A CD 1 +ATOM 2382 C CE . LYS A 1 152 ? 2.68800 -29.98200 8.87000 1.000 60.80992 ? 152 LYS A CE 1 +ATOM 2383 N NZ . LYS A 1 152 ? 1.89100 -29.17100 7.91000 1.000 76.44074 ? 152 LYS A NZ 1 +ATOM 2384 H H . LYS A 1 152 ? 3.56400 -34.04100 12.13200 1.000 54.71000 ? 152 LYS A H 1 +ATOM 2385 H HA . LYS A 1 152 ? 5.27400 -32.20000 11.44600 1.000 56.93000 ? 152 LYS A HA 1 +ATOM 2386 H HB2 . LYS A 1 152 ? 3.13800 -32.07000 10.57200 1.000 53.21000 ? 152 LYS A HB2 1 +ATOM 2387 H HB3 . LYS A 1 152 ? 2.53200 -31.82900 12.02100 1.000 53.21000 ? 152 LYS A HB3 1 +ATOM 2388 H HG2 . LYS A 1 152 ? 3.34400 -29.71500 12.11400 1.000 58.94000 ? 152 LYS A HG2 1 +ATOM 2389 H HG3 . LYS A 1 152 ? 4.32600 -29.96500 10.89000 1.000 58.94000 ? 152 LYS A HG3 1 +ATOM 2390 H HD2 . LYS A 1 152 ? 1.53200 -29.89600 10.55000 1.000 63.75000 ? 152 LYS A HD2 1 +ATOM 2391 H HD3 . LYS A 1 152 ? 2.43500 -28.60400 10.35500 1.000 63.75000 ? 152 LYS A HD3 1 +ATOM 2392 H HE2 . LYS A 1 152 ? 3.62900 -29.84900 8.67400 1.000 72.99000 ? 152 LYS A HE2 1 +ATOM 2393 H HE3 . LYS A 1 152 ? 2.45300 -30.91500 8.75100 1.000 72.99000 ? 152 LYS A HE3 1 +ATOM 2394 H HZ1 . LYS A 1 152 ? 1.02200 -29.26000 8.08300 1.000 91.74000 ? 152 LYS A HZ1 1 +ATOM 2395 H HZ2 . LYS A 1 152 ? 2.11200 -28.31200 7.97900 1.000 91.74000 ? 152 LYS A HZ2 1 +ATOM 2396 H HZ3 . LYS A 1 152 ? 2.04800 -29.44300 7.07700 1.000 91.74000 ? 152 LYS A HZ3 1 +ATOM 2397 N N . ARG A 1 153 ? 4.16600 -31.96200 14.45700 1.000 42.52615 ? 153 ARG A N 1 +ATOM 2398 C CA . ARG A 1 153 ? 4.47100 -31.36200 15.75100 1.000 42.26823 ? 153 ARG A CA 1 +ATOM 2399 C C . ARG A 1 153 ? 5.89400 -31.68300 16.19900 1.000 41.33917 ? 153 ARG A C 1 +ATOM 2400 O O . ARG A 1 153 ? 6.56400 -30.84700 16.80900 1.000 40.60750 ? 153 ARG A O 1 +ATOM 2401 C CB . ARG A 1 153 ? 3.48000 -31.84600 16.81200 1.000 45.48703 ? 153 ARG A CB 1 +ATOM 2402 C CG . ARG A 1 153 ? 3.74900 -31.22000 18.20400 1.000 45.41860 ? 153 ARG A CG 1 +ATOM 2403 C CD . ARG A 1 153 ? 2.58700 -31.46600 19.16700 1.000 50.97980 ? 153 ARG A CD 1 +ATOM 2404 N NE . ARG A 1 153 ? 2.22900 -32.88200 19.18700 1.000 43.66313 ? 153 ARG A NE 1 +ATOM 2405 C CZ . ARG A 1 153 ? 1.20100 -33.41400 18.54800 1.000 48.37948 ? 153 ARG A CZ 1 +ATOM 2406 N NH1 . ARG A 1 153 ? 0.33700 -32.66800 17.88400 1.000 50.72713 ? 153 ARG A NH1 1 +ATOM 2407 N NH2 . ARG A 1 153 ? 1.04000 -34.73100 18.57000 1.000 50.31656 ? 153 ARG A NH2 1 +ATOM 2408 H H . ARG A 1 153 ? 3.51800 -32.52800 14.46300 1.000 51.04000 ? 153 ARG A H 1 +ATOM 2409 H HA . ARG A 1 153 ? 4.38500 -30.40000 15.66100 1.000 50.73000 ? 153 ARG A HA 1 +ATOM 2410 H HB2 . ARG A 1 153 ? 2.58100 -31.60200 16.54100 1.000 54.59000 ? 153 ARG A HB2 1 +ATOM 2411 H HB3 . ARG A 1 153 ? 3.55200 -32.81000 16.89600 1.000 54.59000 ? 153 ARG A HB3 1 +ATOM 2412 H HG2 . ARG A 1 153 ? 4.54900 -31.61500 18.58400 1.000 54.51000 ? 153 ARG A HG2 1 +ATOM 2413 H HG3 . ARG A 1 153 ? 3.86600 -30.26200 18.10700 1.000 54.51000 ? 153 ARG A HG3 1 +ATOM 2414 H HD2 . ARG A 1 153 ? 2.84600 -31.20000 20.06300 1.000 61.19000 ? 153 ARG A HD2 1 +ATOM 2415 H HD3 . ARG A 1 153 ? 1.81400 -30.95600 18.88000 1.000 61.19000 ? 153 ARG A HD3 1 +ATOM 2416 H HE . ARG A 1 153 ? 2.72400 -33.41000 19.65100 1.000 52.41000 ? 153 ARG A HE 1 +ATOM 2417 H HH11 . ARG A 1 153 ? 0.43500 -31.81400 17.86100 1.000 60.89000 ? 153 ARG A HH11 1 +ATOM 2418 H HH12 . ARG A 1 153 ? -0.32400 -33.03500 17.47600 1.000 60.89000 ? 153 ARG A HH12 1 +ATOM 2419 H HH21 . ARG A 1 153 ? 1.60000 -35.22500 18.99600 1.000 60.39000 ? 153 ARG A HH21 1 +ATOM 2420 H HH22 . ARG A 1 153 ? 0.37600 -35.09000 18.15800 1.000 60.39000 ? 153 ARG A HH22 1 +ATOM 2421 N N . ASP A 1 154 ? 6.37600 -32.89200 15.91600 1.000 45.47914 ? 154 ASP A N 1 +ATOM 2422 C CA . ASP A 1 154 ? 7.69900 -33.25700 16.42100 1.000 43.74735 ? 154 ASP A CA 1 +ATOM 2423 C C . ASP A 1 154 ? 8.80100 -32.54400 15.65300 1.000 40.34694 ? 154 ASP A C 1 +ATOM 2424 O O . ASP A 1 154 ? 9.84900 -32.21300 16.22000 1.000 42.51826 ? 154 ASP A O 1 +ATOM 2425 C CB . ASP A 1 154 ? 7.89900 -34.77200 16.34400 1.000 40.16008 ? 154 ASP A CB 1 +ATOM 2426 C CG . ASP A 1 154 ? 9.07200 -35.24500 17.18400 1.000 45.53177 ? 154 ASP A CG 1 +ATOM 2427 O OD1 . ASP A 1 154 ? 9.19800 -34.77500 18.33800 1.000 46.79245 ? 154 ASP A OD1 1 +ATOM 2428 O OD2 . ASP A 1 154 ? 9.85400 -36.10600 16.71300 1.000 47.67940 ? 154 ASP A OD2 1 +ATOM 2429 H H . ASP A 1 154 ? 5.97400 -33.49600 15.45400 1.000 54.59000 ? 154 ASP A H 1 +ATOM 2430 H HA . ASP A 1 154 ? 7.75400 -32.99100 17.35300 1.000 52.51000 ? 154 ASP A HA 1 +ATOM 2431 H HB2 . ASP A 1 154 ? 7.09900 -35.21500 16.66800 1.000 48.20000 ? 154 ASP A HB2 1 +ATOM 2432 H HB3 . ASP A 1 154 ? 8.06700 -35.02400 15.42300 1.000 48.20000 ? 154 ASP A HB3 1 +ATOM 2433 N N . ARG A 1 155 ? 8.59600 -32.33400 14.35400 1.000 41.19704 ? 155 ARG A N 1 +ATOM 2434 C CA . ARG A 1 155 ? 9.54400 -31.54700 13.57400 1.000 43.80262 ? 155 ARG A CA 1 +ATOM 2435 C C . ARG A 1 155 ? 9.62200 -30.12100 14.10600 1.000 43.18676 ? 155 ARG A C 1 +ATOM 2436 O O . ARG A 1 155 ? 10.70700 -29.54200 14.19700 1.000 46.55558 ? 155 ARG A O 1 +ATOM 2437 C CB . ARG A 1 155 ? 9.13900 -31.55700 12.10100 1.000 54.15913 ? 155 ARG A CB 1 +ATOM 2438 C CG . ARG A 1 155 ? 10.29900 -31.74000 11.12800 1.000 72.50343 ? 155 ARG A CG 1 +ATOM 2439 C CD . ARG A 1 155 ? 9.86600 -32.28500 9.74900 1.000 82.00457 ? 155 ARG A CD 1 +ATOM 2440 N NE . ARG A 1 155 ? 8.51700 -31.89700 9.34500 1.000 101.43848 ? 155 ARG A NE 1 +ATOM 2441 C CZ . ARG A 1 155 ? 7.54000 -32.75300 9.05500 1.000 78.81471 ? 155 ARG A CZ 1 +ATOM 2442 N NH1 . ARG A 1 155 ? 7.72000 -34.06100 9.13000 1.000 75.17743 ? 155 ARG A NH1 1 +ATOM 2443 N NH2 . ARG A 1 155 ? 6.35800 -32.28400 8.66800 1.000 66.72379 ? 155 ARG A NH2 1 +ATOM 2444 H H . ARG A 1 155 ? 7.92500 -32.63300 13.90600 1.000 49.45000 ? 155 ARG A H 1 +ATOM 2445 H HA . ARG A 1 155 ? 10.42700 -31.94300 13.64100 1.000 52.57000 ? 155 ARG A HA 1 +ATOM 2446 H HB2 . ARG A 1 155 ? 8.51800 -32.28800 11.95600 1.000 65.00000 ? 155 ARG A HB2 1 +ATOM 2447 H HB3 . ARG A 1 155 ? 8.71200 -30.71200 11.89200 1.000 65.00000 ? 155 ARG A HB3 1 +ATOM 2448 H HG2 . ARG A 1 155 ? 10.72700 -30.88100 10.98600 1.000 87.02000 ? 155 ARG A HG2 1 +ATOM 2449 H HG3 . ARG A 1 155 ? 10.93300 -32.36700 11.50900 1.000 87.02000 ? 155 ARG A HG3 1 +ATOM 2450 H HD2 . ARG A 1 155 ? 10.48000 -31.95100 9.07600 1.000 98.42000 ? 155 ARG A HD2 1 +ATOM 2451 H HD3 . ARG A 1 155 ? 9.89700 -33.25400 9.77400 1.000 98.42000 ? 155 ARG A HD3 1 +ATOM 2452 H HE . ARG A 1 155 ? 8.34100 -31.05700 9.29100 1.000 121.74000 ? 155 ARG A HE 1 +ATOM 2453 H HH11 . ARG A 1 155 ? 8.48200 -34.37700 9.37100 1.000 90.22000 ? 155 ARG A HH11 1 +ATOM 2454 H HH12 . ARG A 1 155 ? 7.07400 -34.59500 8.93700 1.000 90.22000 ? 155 ARG A HH12 1 +ATOM 2455 H HH21 . ARG A 1 155 ? 6.23000 -31.43600 8.60800 1.000 80.08000 ? 155 ARG A HH21 1 +ATOM 2456 H HH22 . ARG A 1 155 ? 5.72100 -32.82900 8.47800 1.000 80.08000 ? 155 ARG A HH22 1 +ATOM 2457 N N . ILE A 1 156 ? 8.47400 -29.53100 14.45700 1.000 39.91268 ? 156 ILE A N 1 +ATOM 2458 C CA . ILE A 1 156 ? 8.47900 -28.19200 15.04000 1.000 41.11809 ? 156 ILE A CA 1 +ATOM 2459 C C . ILE A 1 156 ? 9.20500 -28.20900 16.37600 1.000 43.96317 ? 156 ILE A C 1 +ATOM 2460 O O . ILE A 1 156 ? 10.02500 -27.32400 16.67400 1.000 42.99726 ? 156 ILE A O 1 +ATOM 2461 C CB . ILE A 1 156 ? 7.03500 -27.66300 15.18100 1.000 40.68383 ? 156 ILE A CB 1 +ATOM 2462 C CG1 . ILE A 1 156 ? 6.41400 -27.45900 13.79900 1.000 47.43727 ? 156 ILE A CG1 1 +ATOM 2463 C CG2 . ILE A 1 156 ? 7.00500 -26.37400 15.99100 1.000 42.92620 ? 156 ILE A CG2 1 +ATOM 2464 C CD1 . ILE A 1 156 ? 4.94800 -27.01300 13.83400 1.000 47.71362 ? 156 ILE A CD1 1 +ATOM 2465 H H . ILE A 1 156 ? 7.69300 -29.88000 14.36800 1.000 47.84000 ? 156 ILE A H 1 +ATOM 2466 H HA . ILE A 1 156 ? 8.95700 -27.59300 14.44500 1.000 49.36000 ? 156 ILE A HA 1 +ATOM 2467 H HB . ILE A 1 156 ? 6.51000 -28.32400 15.66000 1.000 48.83000 ? 156 ILE A HB 1 +ATOM 2468 H HG12 . ILE A 1 156 ? 6.91900 -26.77700 13.32900 1.000 56.94000 ? 156 ILE A HG12 1 +ATOM 2469 H HG13 . ILE A 1 156 ? 6.45600 -28.29700 13.31200 1.000 56.94000 ? 156 ILE A HG13 1 +ATOM 2470 H HG21 . ILE A 1 156 ? 6.11600 -25.98900 15.93900 1.000 51.52000 ? 156 ILE A HG21 1 +ATOM 2471 H HG22 . ILE A 1 156 ? 7.22500 -26.57600 16.91400 1.000 51.52000 ? 156 ILE A HG22 1 +ATOM 2472 H HG23 . ILE A 1 156 ? 7.65600 -25.75600 15.62300 1.000 51.52000 ? 156 ILE A HG23 1 +ATOM 2473 H HD11 . ILE A 1 156 ? 4.55500 -27.15000 12.95800 1.000 57.27000 ? 156 ILE A HD11 1 +ATOM 2474 H HD12 . ILE A 1 156 ? 4.47300 -27.54100 14.49500 1.000 57.27000 ? 156 ILE A HD12 1 +ATOM 2475 H HD13 . ILE A 1 156 ? 4.90900 -26.07400 14.07200 1.000 57.27000 ? 156 ILE A HD13 1 +ATOM 2476 N N . ARG A 1 157 ? 8.93900 -29.23000 17.19900 1.000 44.60798 ? 157 ARG A N 1 +ATOM 2477 C CA . ARG A 1 157 ? 9.56100 -29.27500 18.52300 1.000 40.46011 ? 157 ARG A CA 1 +ATOM 2478 C C . ARG A 1 157 ? 11.07000 -29.37900 18.40600 1.000 48.44528 ? 157 ARG A C 1 +ATOM 2479 O O . ARG A 1 157 ? 11.81500 -28.66200 19.08500 1.000 48.43212 ? 157 ARG A O 1 +ATOM 2480 C CB . ARG A 1 157 ? 9.00000 -30.44000 19.34500 1.000 45.34228 ? 157 ARG A CB 1 +ATOM 2481 C CG . ARG A 1 157 ? 9.68000 -30.61600 20.72300 1.000 48.21104 ? 157 ARG A CG 1 +ATOM 2482 C CD . ARG A 1 157 ? 8.87900 -31.54500 21.66400 1.000 53.52484 ? 157 ARG A CD 1 +ATOM 2483 N NE . ARG A 1 157 ? 8.35300 -32.67200 20.93300 1.000 44.34479 ? 157 ARG A NE 1 +ATOM 2484 C CZ . ARG A 1 157 ? 7.07100 -32.93700 20.73100 1.000 47.65571 ? 157 ARG A CZ 1 +ATOM 2485 N NH1 . ARG A 1 157 ? 6.11100 -32.33000 21.41200 1.000 52.17468 ? 157 ARG A NH1 1 +ATOM 2486 N NH2 . ARG A 1 157 ? 6.74200 -33.83700 19.81800 1.000 43.78683 ? 157 ARG A NH2 1 +ATOM 2487 H H . ARG A 1 157 ? 8.41700 -29.88900 17.01900 1.000 53.54000 ? 157 ARG A H 1 +ATOM 2488 H HA . ARG A 1 157 ? 9.34500 -28.45500 18.99400 1.000 48.56000 ? 157 ARG A HA 1 +ATOM 2489 H HB2 . ARG A 1 157 ? 8.05400 -30.28600 19.49800 1.000 54.42000 ? 157 ARG A HB2 1 +ATOM 2490 H HB3 . ARG A 1 157 ? 9.12500 -31.26200 18.84500 1.000 54.42000 ? 157 ARG A HB3 1 +ATOM 2491 H HG2 . ARG A 1 157 ? 10.56000 -31.00300 20.59600 1.000 57.86000 ? 157 ARG A HG2 1 +ATOM 2492 H HG3 . ARG A 1 157 ? 9.75800 -29.74900 21.15200 1.000 57.86000 ? 157 ARG A HG3 1 +ATOM 2493 H HD2 . ARG A 1 157 ? 9.46100 -31.87700 22.36600 1.000 64.24000 ? 157 ARG A HD2 1 +ATOM 2494 H HD3 . ARG A 1 157 ? 8.13800 -31.05500 22.05200 1.000 64.24000 ? 157 ARG A HD3 1 +ATOM 2495 H HE . ARG A 1 157 ? 8.92400 -33.22100 20.59700 1.000 53.23000 ? 157 ARG A HE 1 +ATOM 2496 H HH11 . ARG A 1 157 ? 6.31200 -31.74200 22.00700 1.000 62.62000 ? 157 ARG A HH11 1 +ATOM 2497 H HH12 . ARG A 1 157 ? 5.28700 -32.52300 21.26000 1.000 62.62000 ? 157 ARG A HH12 1 +ATOM 2498 H HH21 . ARG A 1 157 ? 7.35600 -34.23800 19.36900 1.000 52.55000 ? 157 ARG A HH21 1 +ATOM 2499 H HH22 . ARG A 1 157 ? 5.91400 -34.02100 19.67500 1.000 52.55000 ? 157 ARG A HH22 1 +ATOM 2500 N N . LYS A 1 158 ? 11.54500 -30.27300 17.54200 1.000 43.87368 ? 158 LYS A N 1 +ATOM 2501 C CA . LYS A 1 158 ? 12.98300 -30.45500 17.41100 1.000 48.73479 ? 158 LYS A CA 1 +ATOM 2502 C C . LYS A 1 158 ? 13.64500 -29.20900 16.84500 1.000 48.94534 ? 158 LYS A C 1 +ATOM 2503 O O . LYS A 1 158 ? 14.75900 -28.85000 17.24800 1.000 48.44265 ? 158 LYS A O 1 +ATOM 2504 C CB . LYS A 1 158 ? 13.26800 -31.67300 16.54000 1.000 50.88505 ? 158 LYS A CB 1 +ATOM 2505 C CG . LYS A 1 158 ? 13.51300 -32.96900 17.32400 1.000 53.65380 ? 158 LYS A CG 1 +ATOM 2506 C CD . LYS A 1 158 ? 12.37900 -33.29200 18.29800 1.000 54.23808 ? 158 LYS A CD 1 +ATOM 2507 C CE . LYS A 1 158 ? 12.55000 -34.71800 18.86500 1.000 60.33092 ? 158 LYS A CE 1 +ATOM 2508 N NZ . LYS A 1 158 ? 11.45800 -35.12100 19.81300 1.000 54.71445 ? 158 LYS A NZ 1 +ATOM 2509 H H . LYS A 1 158 ? 11.06600 -30.77400 17.03300 1.000 52.66000 ? 158 LYS A H 1 +ATOM 2510 H HA . LYS A 1 158 ? 13.36800 -30.61700 18.28700 1.000 58.49000 ? 158 LYS A HA 1 +ATOM 2511 H HB2 . LYS A 1 158 ? 12.50700 -31.82200 15.95700 1.000 61.07000 ? 158 LYS A HB2 1 +ATOM 2512 H HB3 . LYS A 1 158 ? 14.06200 -31.49600 16.01000 1.000 61.07000 ? 158 LYS A HB3 1 +ATOM 2513 H HG2 . LYS A 1 158 ? 13.59200 -33.70700 16.70000 1.000 64.40000 ? 158 LYS A HG2 1 +ATOM 2514 H HG3 . LYS A 1 158 ? 14.33200 -32.87900 17.83600 1.000 64.40000 ? 158 LYS A HG3 1 +ATOM 2515 H HD2 . LYS A 1 158 ? 12.39200 -32.66200 19.03500 1.000 65.10000 ? 158 LYS A HD2 1 +ATOM 2516 H HD3 . LYS A 1 158 ? 11.52800 -33.24300 17.83500 1.000 65.10000 ? 158 LYS A HD3 1 +ATOM 2517 H HE2 . LYS A 1 158 ? 12.55200 -35.35100 18.13000 1.000 72.41000 ? 158 LYS A HE2 1 +ATOM 2518 H HE3 . LYS A 1 158 ? 13.39200 -34.76600 19.34500 1.000 72.41000 ? 158 LYS A HE3 1 +ATOM 2519 H HZ1 . LYS A 1 158 ? 11.60000 -35.94900 20.10700 1.000 65.67000 ? 158 LYS A HZ1 1 +ATOM 2520 H HZ2 . LYS A 1 158 ? 11.43900 -34.56600 20.50900 1.000 65.67000 ? 158 LYS A HZ2 1 +ATOM 2521 H HZ3 . LYS A 1 158 ? 10.67000 -35.09200 19.40000 1.000 65.67000 ? 158 LYS A HZ3 1 +ATOM 2522 N N . LYS A 1 159 ? 12.97800 -28.52900 15.90900 1.000 45.60810 ? 159 LYS A N 1 +ATOM 2523 C CA . LYS A 1 159 ? 13.56600 -27.30700 15.36700 1.000 50.52711 ? 159 LYS A CA 1 +ATOM 2524 C C . LYS A 1 159 ? 13.68200 -26.23600 16.44000 1.000 48.09524 ? 159 LYS A C 1 +ATOM 2525 O O . LYS A 1 159 ? 14.70600 -25.56700 16.55400 1.000 49.86124 ? 159 LYS A O 1 +ATOM 2526 C CB . LYS A 1 159 ? 12.74100 -26.80800 14.19300 1.000 51.49565 ? 159 LYS A CB 1 +ATOM 2527 C CG . LYS A 1 159 ? 13.05500 -27.51600 12.89200 1.000 55.64351 ? 159 LYS A CG 1 +ATOM 2528 C CD . LYS A 1 159 ? 11.92100 -27.31800 11.90100 1.000 69.75310 ? 159 LYS A CD 1 +ATOM 2529 C CE . LYS A 1 159 ? 12.42800 -27.01700 10.50900 1.000 69.08460 ? 159 LYS A CE 1 +ATOM 2530 N NZ . LYS A 1 159 ? 11.27700 -26.86200 9.57100 1.000 90.60034 ? 159 LYS A NZ 1 +ATOM 2531 H H . LYS A 1 159 ? 12.21300 -28.74700 15.58400 1.000 54.74000 ? 159 LYS A H 1 +ATOM 2532 H HA . LYS A 1 159 ? 14.45800 -27.50300 15.03900 1.000 60.64000 ? 159 LYS A HA 1 +ATOM 2533 H HB2 . LYS A 1 159 ? 11.80100 -26.94800 14.38900 1.000 61.81000 ? 159 LYS A HB2 1 +ATOM 2534 H HB3 . LYS A 1 159 ? 12.91600 -25.86200 14.06700 1.000 61.81000 ? 159 LYS A HB3 1 +ATOM 2535 H HG2 . LYS A 1 159 ? 13.86800 -27.15100 12.51000 1.000 66.78000 ? 159 LYS A HG2 1 +ATOM 2536 H HG3 . LYS A 1 159 ? 13.16200 -28.46600 13.05500 1.000 66.78000 ? 159 LYS A HG3 1 +ATOM 2537 H HD2 . LYS A 1 159 ? 11.38900 -28.12800 11.86000 1.000 83.72000 ? 159 LYS A HD2 1 +ATOM 2538 H HD3 . LYS A 1 159 ? 11.37100 -26.57300 12.19000 1.000 83.72000 ? 159 LYS A HD3 1 +ATOM 2539 H HE2 . LYS A 1 159 ? 12.93600 -26.19100 10.51700 1.000 82.91000 ? 159 LYS A HE2 1 +ATOM 2540 H HE3 . LYS A 1 159 ? 12.98600 -27.74700 10.19900 1.000 82.91000 ? 159 LYS A HE3 1 +ATOM 2541 H HZ1 . LYS A 1 159 ? 11.52800 -26.39400 8.85700 1.000 108.73000 ? 159 LYS A HZ1 1 +ATOM 2542 H HZ2 . LYS A 1 159 ? 10.99100 -27.66200 9.30600 1.000 108.73000 ? 159 LYS A HZ2 1 +ATOM 2543 H HZ3 . LYS A 1 159 ? 10.61000 -26.43500 9.97600 1.000 108.73000 ? 159 LYS A HZ3 1 +ATOM 2544 N N . LEU A 1 160 ? 12.64600 -26.06200 17.25000 1.000 52.60368 ? 160 LEU A N 1 +ATOM 2545 C CA . LEU A 1 160 ? 12.70900 -25.03700 18.28900 1.000 54.61971 ? 160 LEU A CA 1 +ATOM 2546 C C . LEU A 1 160 ? 13.68600 -25.43100 19.38900 1.000 53.87225 ? 160 LEU A C 1 +ATOM 2547 O O . LEU A 1 160 ? 14.43800 -24.58600 19.88200 1.000 53.42219 ? 160 LEU A O 1 +ATOM 2548 C CB . LEU A 1 160 ? 11.31700 -24.77800 18.85700 1.000 46.86878 ? 160 LEU A CB 1 +ATOM 2549 C CG . LEU A 1 160 ? 10.48000 -23.84500 17.98200 1.000 48.56372 ? 160 LEU A CG 1 +ATOM 2550 C CD1 . LEU A 1 160 ? 9.03200 -23.88500 18.42700 1.000 46.74771 ? 160 LEU A CD1 1 +ATOM 2551 C CD2 . LEU A 1 160 ? 11.04400 -22.42500 18.02400 1.000 48.81901 ? 160 LEU A CD2 1 +ATOM 2552 H H . LEU A 1 160 ? 11.91200 -26.51100 17.22300 1.000 63.14000 ? 160 LEU A H 1 +ATOM 2553 H HA . LEU A 1 160 ? 13.02300 -24.20700 17.89700 1.000 65.55000 ? 160 LEU A HA 1 +ATOM 2554 H HB2 . LEU A 1 160 ? 10.84600 -25.62300 18.93100 1.000 56.26000 ? 160 LEU A HB2 1 +ATOM 2555 H HB3 . LEU A 1 160 ? 11.40600 -24.37000 19.73200 1.000 56.26000 ? 160 LEU A HB3 1 +ATOM 2556 H HG . LEU A 1 160 ? 10.51500 -24.13900 17.05800 1.000 58.29000 ? 160 LEU A HG 1 +ATOM 2557 H HD11 . LEU A 1 160 ? 8.51100 -23.29600 17.85900 1.000 56.11000 ? 160 LEU A HD11 1 +ATOM 2558 H HD12 . LEU A 1 160 ? 8.70400 -24.79500 18.35100 1.000 56.11000 ? 160 LEU A HD12 1 +ATOM 2559 H HD13 . LEU A 1 160 ? 8.97700 -23.59000 19.34900 1.000 56.11000 ? 160 LEU A HD13 1 +ATOM 2560 H HD21 . LEU A 1 160 ? 10.41900 -21.82500 17.58800 1.000 58.59000 ? 160 LEU A HD21 1 +ATOM 2561 H HD22 . LEU A 1 160 ? 11.16600 -22.16100 18.94900 1.000 58.59000 ? 160 LEU A HD22 1 +ATOM 2562 H HD23 . LEU A 1 160 ? 11.89600 -22.41000 17.56000 1.000 58.59000 ? 160 LEU A HD23 1 +ATOM 2563 N N . GLU A 1 161 ? 13.70600 -26.71000 19.77600 1.000 54.91974 ? 161 GLU A N 1 +ATOM 2564 C CA . GLU A 1 161 ? 14.68500 -27.14700 20.77100 1.000 53.98542 ? 161 GLU A CA 1 +ATOM 2565 C C . GLU A 1 161 ? 16.10100 -26.83100 20.31800 1.000 60.45725 ? 161 GLU A C 1 +ATOM 2566 O O . GLU A 1 161 ? 16.94800 -26.42900 21.13100 1.000 62.28642 ? 161 GLU A O 1 +ATOM 2567 C CB . GLU A 1 161 ? 14.53600 -28.64500 21.04600 1.000 55.72773 ? 161 GLU A CB 1 +ATOM 2568 C CG . GLU A 1 161 ? 13.38500 -28.95900 21.98000 1.000 64.42615 ? 161 GLU A CG 1 +ATOM 2569 C CD . GLU A 1 161 ? 13.16300 -30.45300 22.19000 1.000 70.09525 ? 161 GLU A CD 1 +ATOM 2570 O OE1 . GLU A 1 161 ? 13.69900 -31.26500 21.40400 1.000 65.58418 ? 161 GLU A OE1 1 +ATOM 2571 O OE2 . GLU A 1 161 ? 12.43700 -30.80900 23.14500 1.000 62.74963 ? 161 GLU A OE2 1 +ATOM 2572 H H . GLU A 1 161 ? 13.17900 -27.32500 19.48700 1.000 65.91000 ? 161 GLU A H 1 +ATOM 2573 H HA . GLU A 1 161 ? 14.51500 -26.67500 21.60100 1.000 64.79000 ? 161 GLU A HA 1 +ATOM 2574 H HB2 . GLU A 1 161 ? 14.37700 -29.10500 20.20700 1.000 66.88000 ? 161 GLU A HB2 1 +ATOM 2575 H HB3 . GLU A 1 161 ? 15.35300 -28.97300 21.45500 1.000 66.88000 ? 161 GLU A HB3 1 +ATOM 2576 H HG2 . GLU A 1 161 ? 13.56700 -28.56100 22.84600 1.000 77.32000 ? 161 GLU A HG2 1 +ATOM 2577 H HG3 . GLU A 1 161 ? 12.57000 -28.58700 21.60900 1.000 77.32000 ? 161 GLU A HG3 1 +ATOM 2578 N N . LYS A 1 162 ? 16.37800 -26.99700 19.02300 1.000 59.41239 ? 162 LYS A N 1 +ATOM 2579 C CA . LYS A 1 162 ? 17.70500 -26.66600 18.51200 1.000 68.01868 ? 162 LYS A CA 1 +ATOM 2580 C C . LYS A 1 162 ? 17.96700 -25.16700 18.59900 1.000 71.34276 ? 162 LYS A C 1 +ATOM 2581 O O . LYS A 1 162 ? 19.03700 -24.73600 19.04800 1.000 65.43679 ? 162 LYS A O 1 +ATOM 2582 C CB . LYS A 1 162 ? 17.84900 -27.14800 17.07300 1.000 60.54937 ? 162 LYS A CB 1 +ATOM 2583 C CG . LYS A 1 162 ? 19.22600 -26.90400 16.48900 1.000 69.39253 ? 162 LYS A CG 1 +ATOM 2584 C CD . LYS A 1 162 ? 19.33600 -27.47800 15.08600 1.000 82.67044 ? 162 LYS A CD 1 +ATOM 2585 C CE . LYS A 1 162 ? 20.71400 -27.24200 14.48900 1.000 98.44075 ? 162 LYS A CE 1 +ATOM 2586 N NZ . LYS A 1 162 ? 20.81200 -27.77400 13.09900 1.000 104.85468 ? 162 LYS A NZ 1 +ATOM 2587 H H . LYS A 1 162 ? 15.82700 -27.29300 18.43400 1.000 71.31000 ? 162 LYS A H 1 +ATOM 2588 H HA . LYS A 1 162 ? 18.36800 -27.12400 19.05100 1.000 81.63000 ? 162 LYS A HA 1 +ATOM 2589 H HB2 . LYS A 1 162 ? 17.67900 -28.10300 17.04400 1.000 72.67000 ? 162 LYS A HB2 1 +ATOM 2590 H HB3 . LYS A 1 162 ? 17.20400 -26.68000 16.52000 1.000 72.67000 ? 162 LYS A HB3 1 +ATOM 2591 H HG2 . LYS A 1 162 ? 19.39300 -25.95000 16.44400 1.000 83.28000 ? 162 LYS A HG2 1 +ATOM 2592 H HG3 . LYS A 1 162 ? 19.89300 -27.33200 17.04800 1.000 83.28000 ? 162 LYS A HG3 1 +ATOM 2593 H HD2 . LYS A 1 162 ? 19.17700 -28.43400 15.11700 1.000 99.22000 ? 162 LYS A HD2 1 +ATOM 2594 H HD3 . LYS A 1 162 ? 18.67900 -27.05100 14.51300 1.000 99.22000 ? 162 LYS A HD3 1 +ATOM 2595 H HE2 . LYS A 1 162 ? 20.89300 -26.28900 14.46300 1.000 118.14000 ? 162 LYS A HE2 1 +ATOM 2596 H HE3 . LYS A 1 162 ? 21.38000 -27.69000 15.03400 1.000 118.14000 ? 162 LYS A HE3 1 +ATOM 2597 H HZ1 . LYS A 1 162 ? 21.62400 -27.61800 12.77000 1.000 125.84000 ? 162 LYS A HZ1 1 +ATOM 2598 H HZ2 . LYS A 1 162 ? 20.66400 -28.65200 13.09800 1.000 125.84000 ? 162 LYS A HZ2 1 +ATOM 2599 H HZ3 . LYS A 1 162 ? 20.20800 -27.37900 12.57800 1.000 125.84000 ? 162 LYS A HZ3 1 +ATOM 2600 N N . GLN A 1 163 ? 17.00500 -24.35200 18.16000 1.000 64.17348 ? 163 GLN A N 1 +ATOM 2601 C CA . GLN A 1 163 ? 17.17300 -22.90700 18.28200 1.000 69.23462 ? 163 GLN A CA 1 +ATOM 2602 C C . GLN A 1 163 ? 17.45000 -22.51200 19.72300 1.000 67.14489 ? 163 GLN A C 1 +ATOM 2603 O O . GLN A 1 163 ? 18.29400 -21.64900 19.98700 1.000 67.02119 ? 163 GLN A O 1 +ATOM 2604 C CB . GLN A 1 163 ? 15.92900 -22.18300 17.76600 1.000 66.24215 ? 163 GLN A CB 1 +ATOM 2605 C CG . GLN A 1 163 ? 15.78700 -22.22800 16.26300 1.000 72.32709 ? 163 GLN A CG 1 +ATOM 2606 C CD . GLN A 1 163 ? 14.46300 -21.67000 15.79400 1.000 89.98974 ? 163 GLN A CD 1 +ATOM 2607 O OE1 . GLN A 1 163 ? 13.80500 -22.24600 14.92300 1.000 84.62594 ? 163 GLN A OE1 1 +ATOM 2608 N NE2 . GLN A 1 163 ? 14.06000 -20.54200 16.37100 1.000 88.28690 ? 163 GLN A NE2 1 +ATOM 2609 H H . GLN A 1 163 ? 16.26600 -24.60400 17.79900 1.000 77.02000 ? 163 GLN A H 1 +ATOM 2610 H HA . GLN A 1 163 ? 17.92700 -22.63400 17.73600 1.000 83.09000 ? 163 GLN A HA 1 +ATOM 2611 H HB2 . GLN A 1 163 ? 15.14200 -22.59900 18.15200 1.000 79.50000 ? 163 GLN A HB2 1 +ATOM 2612 H HB3 . GLN A 1 163 ? 15.97600 -21.25200 18.03300 1.000 79.50000 ? 163 GLN A HB3 1 +ATOM 2613 H HG2 . GLN A 1 163 ? 16.49600 -21.70200 15.86100 1.000 86.80000 ? 163 GLN A HG2 1 +ATOM 2614 H HG3 . GLN A 1 163 ? 15.84900 -23.15000 15.96600 1.000 86.80000 ? 163 GLN A HG3 1 +ATOM 2615 H HE21 . GLN A 1 163 ? 14.54700 -20.17100 16.97600 1.000 105.96000 ? 163 GLN A HE21 1 +ATOM 2616 H HE22 . GLN A 1 163 ? 13.31400 -20.18300 16.14000 1.000 105.96000 ? 163 GLN A HE22 1 +ATOM 2617 N N . HIS A 1 164 ? 16.75500 -23.14300 20.67200 1.000 62.77858 ? 164 HIS A N 1 +ATOM 2618 C CA . HIS A 1 164 ? 16.92400 -22.77600 22.07300 1.000 67.30017 ? 164 HIS A CA 1 +ATOM 2619 C C . HIS A 1 164 ? 18.29900 -23.18100 22.59400 1.000 71.65859 ? 164 HIS A C 1 +ATOM 2620 O O . HIS A 1 164 ? 18.90700 -22.44500 23.37800 1.000 78.23043 ? 164 HIS A O 1 +ATOM 2621 C CB . HIS A 1 164 ? 15.82000 -23.40700 22.91000 1.000 59.30185 ? 164 HIS A CB 1 +ATOM 2622 C CG . HIS A 1 164 ? 14.45500 -22.89200 22.57700 1.000 56.48309 ? 164 HIS A CG 1 +ATOM 2623 N ND1 . HIS A 1 164 ? 13.30500 -23.57300 22.89200 1.000 51.73778 ? 164 HIS A ND1 1 +ATOM 2624 C CD2 . HIS A 1 164 ? 14.06400 -21.75500 21.95500 1.000 55.97513 ? 164 HIS A CD2 1 +ATOM 2625 C CE1 . HIS A 1 164 ? 12.25800 -22.88300 22.47300 1.000 54.15913 ? 164 HIS A CE1 1 +ATOM 2626 N NE2 . HIS A 1 164 ? 12.69300 -21.77000 21.90900 1.000 54.86184 ? 164 HIS A NE2 1 +ATOM 2627 H H . HIS A 1 164 ? 16.18900 -23.77500 20.53100 1.000 75.35000 ? 164 HIS A H 1 +ATOM 2628 H HA . HIS A 1 164 ? 16.85100 -21.81200 22.15500 1.000 80.77000 ? 164 HIS A HA 1 +ATOM 2629 H HB2 . HIS A 1 164 ? 15.82200 -24.36500 22.75900 1.000 71.18000 ? 164 HIS A HB2 1 +ATOM 2630 H HB3 . HIS A 1 164 ? 15.99000 -23.21800 23.84600 1.000 71.18000 ? 164 HIS A HB3 1 +ATOM 2631 H HD2 . HIS A 1 164 ? 14.62000 -21.08900 21.62100 1.000 67.18000 ? 164 HIS A HD2 1 +ATOM 2632 H HE1 . HIS A 1 164 ? 11.36800 -23.13700 22.55900 1.000 65.00000 ? 164 HIS A HE1 1 +ATOM 2633 H HE2 . HIS A 1 164 ? 12.19800 -21.15500 21.56900 1.000 65.85000 ? 164 HIS A HE2 1 +ATOM 2634 N N . ARG A 1 165 ? 18.80300 -24.34400 22.17800 1.000 79.04369 ? 165 ARG A N 1 +ATOM 2635 C CA . ARG A 1 165 ? 20.14100 -24.75600 22.59700 1.000 81.92824 ? 165 ARG A CA 1 +ATOM 2636 C C . ARG A 1 165 ? 21.17700 -23.71200 22.20300 1.000 88.68432 ? 165 ARG A C 1 +ATOM 2637 O O . ARG A 1 165 ? 22.12000 -23.44300 22.95900 1.000 97.74330 ? 165 ARG A O 1 +ATOM 2638 C CB . ARG A 1 165 ? 20.49100 -26.11700 21.99700 1.000 78.60943 ? 165 ARG A CB 1 +ATOM 2639 C CG . ARG A 1 165 ? 19.95000 -27.30200 22.79100 1.000 84.04955 ? 165 ARG A CG 1 +ATOM 2640 C CD . ARG A 1 165 ? 20.24000 -28.64500 22.10700 1.000 85.91556 ? 165 ARG A CD 1 +ATOM 2641 N NE . ARG A 1 165 ? 19.02400 -29.24300 21.57100 1.000 88.08951 ? 165 ARG A NE 1 +ATOM 2642 C CZ . ARG A 1 165 ? 18.84400 -29.60700 20.30800 1.000 87.25520 ? 165 ARG A CZ 1 +ATOM 2643 N NH1 . ARG A 1 165 ? 19.82900 -29.55900 19.42600 1.000 79.28319 ? 165 ARG A NH1 1 +ATOM 2644 N NH2 . ARG A 1 165 ? 17.64500 -30.03100 19.92000 1.000 97.33009 ? 165 ARG A NH2 1 +ATOM 2645 H H . ARG A 1 165 ? 18.39900 -24.90100 21.66200 1.000 94.86000 ? 165 ARG A H 1 +ATOM 2646 H HA . ARG A 1 165 ? 20.15300 -24.85000 23.56200 1.000 98.33000 ? 165 ARG A HA 1 +ATOM 2647 H HB2 . ARG A 1 165 ? 20.11900 -26.16700 21.10200 1.000 94.34000 ? 165 ARG A HB2 1 +ATOM 2648 H HB3 . ARG A 1 165 ? 21.45600 -26.20200 21.96000 1.000 94.34000 ? 165 ARG A HB3 1 +ATOM 2649 H HG2 . ARG A 1 165 ? 20.36600 -27.31300 23.66700 1.000 100.87000 ? 165 ARG A HG2 1 +ATOM 2650 H HG3 . ARG A 1 165 ? 18.98800 -27.21100 22.88100 1.000 100.87000 ? 165 ARG A HG3 1 +ATOM 2651 H HD2 . ARG A 1 165 ? 20.86100 -28.50500 21.37500 1.000 103.11000 ? 165 ARG A HD2 1 +ATOM 2652 H HD3 . ARG A 1 165 ? 20.62300 -29.25800 22.75400 1.000 103.11000 ? 165 ARG A HD3 1 +ATOM 2653 H HE . ARG A 1 165 ? 18.37100 -29.36900 22.11700 1.000 105.72000 ? 165 ARG A HE 1 +ATOM 2654 H HH11 . ARG A 1 165 ? 19.69000 -29.80000 18.61300 1.000 95.15000 ? 165 ARG A HH11 1 +ATOM 2655 H HH12 . ARG A 1 165 ? 20.60800 -29.28700 19.66700 1.000 95.15000 ? 165 ARG A HH12 1 +ATOM 2656 H HH21 . ARG A 1 165 ? 16.99700 -30.06600 20.48500 1.000 116.81000 ? 165 ARG A HH21 1 +ATOM 2657 H HH22 . ARG A 1 165 ? 17.51600 -30.26900 19.10400 1.000 116.81000 ? 165 ARG A HH22 1 +ATOM 2658 N N . GLN A 1 166 ? 21.01300 -23.10500 21.02500 1.000 88.55799 ? 166 GLN A N 1 +ATOM 2659 C CA . GLN A 1 166 ? 21.89100 -22.01300 20.62600 1.000 84.99440 ? 166 GLN A CA 1 +ATOM 2660 C C . GLN A 1 166 ? 21.62800 -20.75300 21.44100 1.000 92.13736 ? 166 GLN A C 1 +ATOM 2661 O O . GLN A 1 166 ? 22.55900 -19.98700 21.71400 1.000 93.64807 ? 166 GLN A O 1 +ATOM 2662 C CB . GLN A 1 166 ? 21.71200 -21.73500 19.13800 1.000 84.07850 ? 166 GLN A CB 1 +ATOM 2663 C CG . GLN A 1 166 ? 22.11300 -20.33300 18.72800 1.000 96.10363 ? 166 GLN A CG 1 +ATOM 2664 C CD . GLN A 1 166 ? 22.42300 -20.22700 17.25400 1.000 103.14131 ? 166 GLN A CD 1 +ATOM 2665 O OE1 . GLN A 1 166 ? 22.44300 -21.22700 16.53600 1.000 104.16512 ? 166 GLN A OE1 1 +ATOM 2666 N NE2 . GLN A 1 166 ? 22.67300 -19.00700 16.79000 1.000 107.39446 ? 166 GLN A NE2 1 +ATOM 2667 H H . GLN A 1 166 ? 20.40800 -23.30600 20.44800 1.000 106.28000 ? 166 GLN A H 1 +ATOM 2668 H HA . GLN A 1 166 ? 22.81300 -22.27200 20.77800 1.000 102.00000 ? 166 GLN A HA 1 +ATOM 2669 H HB2 . GLN A 1 166 ? 22.25900 -22.35900 18.63600 1.000 100.91000 ? 166 GLN A HB2 1 +ATOM 2670 H HB3 . GLN A 1 166 ? 20.77700 -21.85500 18.90800 1.000 100.91000 ? 166 GLN A HB3 1 +ATOM 2671 H HG2 . GLN A 1 166 ? 21.38500 -19.72400 18.92700 1.000 115.34000 ? 166 GLN A HG2 1 +ATOM 2672 H HG3 . GLN A 1 166 ? 22.90700 -20.07300 19.22100 1.000 115.34000 ? 166 GLN A HG3 1 +ATOM 2673 H HE21 . GLN A 1 166 ? 22.65300 -18.33200 17.32200 1.000 128.88000 ? 166 GLN A HE21 1 +ATOM 2674 H HE22 . GLN A 1 166 ? 22.85500 -18.89300 15.95700 1.000 128.88000 ? 166 GLN A HE22 1 +ATOM 2675 N N . GLN A 1 167 ? 20.37500 -20.52000 21.83600 1.000 92.72164 ? 167 GLN A N 1 +ATOM 2676 C CA . GLN A 1 167 ? 20.04200 -19.36500 22.66500 1.000 102.43070 ? 167 GLN A CA 1 +ATOM 2677 C C . GLN A 1 167 ? 20.69100 -19.43600 24.04400 1.000 104.57043 ? 167 GLN A C 1 +ATOM 2678 O O . GLN A 1 167 ? 20.88800 -18.39000 24.67500 1.000 98.41970 ? 167 GLN A O 1 +ATOM 2679 C CB . GLN A 1 167 ? 18.51500 -19.25900 22.78900 1.000 107.65764 ? 167 GLN A CB 1 +ATOM 2680 C CG . GLN A 1 167 ? 17.99900 -18.10200 23.63000 1.000 130.01559 ? 167 GLN A CG 1 +ATOM 2681 C CD . GLN A 1 167 ? 16.53000 -18.27000 24.01200 1.000 133.41073 ? 167 GLN A CD 1 +ATOM 2682 O OE1 . GLN A 1 167 ? 15.77700 -18.97500 23.33900 1.000 113.08461 ? 167 GLN A OE1 1 +ATOM 2683 N NE2 . GLN A 1 167 ? 16.12400 -17.63100 25.10500 1.000 147.91510 ? 167 GLN A NE2 1 +ATOM 2684 H H . GLN A 1 167 ? 19.70100 -21.01500 21.63700 1.000 111.28000 ? 167 GLN A H 1 +ATOM 2685 H HA . GLN A 1 167 ? 20.36800 -18.55600 22.24100 1.000 122.93000 ? 167 GLN A HA 1 +ATOM 2686 H HB2 . GLN A 1 167 ? 18.14400 -19.15600 21.89900 1.000 129.20000 ? 167 GLN A HB2 1 +ATOM 2687 H HB3 . GLN A 1 167 ? 18.18600 -20.07700 23.19300 1.000 129.20000 ? 167 GLN A HB3 1 +ATOM 2688 H HG2 . GLN A 1 167 ? 18.51800 -18.04600 24.44800 1.000 156.03000 ? 167 GLN A HG2 1 +ATOM 2689 H HG3 . GLN A 1 167 ? 18.08700 -17.27800 23.12500 1.000 156.03000 ? 167 GLN A HG3 1 +ATOM 2690 H HE21 . GLN A 1 167 ? 16.68000 -17.15400 25.55500 1.000 177.51000 ? 167 GLN A HE21 1 +ATOM 2691 H HE22 . GLN A 1 167 ? 15.30500 -17.69400 25.36100 1.000 177.51000 ? 167 GLN A HE22 1 +ATOM 2692 N N . ALA A 1 168 ? 21.03300 -20.63500 24.51700 1.000 100.95158 ? 168 ALA A N 1 +ATOM 2693 C CA . ALA A 1 168 ? 21.68200 -20.80000 25.81300 1.000 101.58323 ? 168 ALA A CA 1 +ATOM 2694 C C . ALA A 1 168 ? 23.12800 -21.27600 25.66300 1.000 112.61877 ? 168 ALA A C 1 +ATOM 2695 O O . ALA A 1 168 ? 23.82300 -21.50100 26.65900 1.000 113.58204 ? 168 ALA A O 1 +ATOM 2696 C CB . ALA A 1 168 ? 20.89800 -21.78300 26.67600 1.000 89.19754 ? 168 ALA A CB 1 +ATOM 2697 O OXT . ALA A 1 168 ? 23.63600 -21.45700 24.55200 1.000 98.63814 ? 168 ALA A OXT 1 +ATOM 2698 H H . ALA A 1 168 ? 20.89800 -21.37500 24.10000 1.000 121.15000 ? 168 ALA A H 1 +ATOM 2699 H HA . ALA A 1 168 ? 21.69600 -19.93900 26.26000 1.000 121.91000 ? 168 ALA A HA 1 +ATOM 2700 H HB1 . ALA A 1 168 ? 21.34400 -21.87700 27.53200 1.000 107.05000 ? 168 ALA A HB1 1 +ATOM 2701 H HB2 . ALA A 1 168 ? 20.00000 -21.44100 26.80700 1.000 107.05000 ? 168 ALA A HB2 1 +ATOM 2702 H HB3 . ALA A 1 168 ? 20.86300 -22.64100 26.22500 1.000 107.05000 ? 168 ALA A HB3 1 +ATOM 2703 N N . ASP B 2 1 ? 13.15600 -4.88400 11.82500 1.000 89.78971 ? 1 ASP B N 1 +ATOM 2704 C CA . ASP B 2 1 ? 13.96200 -6.03400 11.32600 1.000 81.06761 ? 1 ASP B CA 1 +ATOM 2705 C C . ASP B 2 1 ? 13.11300 -6.99700 10.50900 1.000 71.94547 ? 1 ASP B C 1 +ATOM 2706 O O . ASP B 2 1 ? 11.91000 -6.80700 10.35500 1.000 67.54494 ? 1 ASP B O 1 +ATOM 2707 C CB . ASP B 2 1 ? 14.59600 -6.78900 12.49000 1.000 91.99787 ? 1 ASP B CB 1 +ATOM 2708 C CG . ASP B 2 1 ? 13.57600 -7.19700 13.52800 1.000 90.88458 ? 1 ASP B CG 1 +ATOM 2709 O OD1 . ASP B 2 1 ? 13.17600 -6.32800 14.33400 1.000 89.22912 ? 1 ASP B OD1 1 +ATOM 2710 O OD2 . ASP B 2 1 ? 13.15100 -8.37500 13.51600 1.000 78.08041 ? 1 ASP B OD2 1 +ATOM 2711 H H1 . ASP B 2 1 ? 13.58100 -4.49700 12.50400 1.000 107.76000 ? 1 ASP B H1 1 +ATOM 2712 H H2 . ASP B 2 1 ? 13.04500 -4.29300 11.16900 1.000 107.76000 ? 1 ASP B H2 1 +ATOM 2713 H H3 . ASP B 2 1 ? 12.36200 -5.17600 12.09900 1.000 107.76000 ? 1 ASP B H3 1 +ATOM 2714 H HA . ASP B 2 1 ? 14.66700 -5.68900 10.75700 1.000 97.29000 ? 1 ASP B HA 1 +ATOM 2715 H HB2 . ASP B 2 1 ? 15.02300 -7.59200 12.15400 1.000 110.41000 ? 1 ASP B HB2 1 +ATOM 2716 H HB3 . ASP B 2 1 ? 15.25300 -6.21900 12.91900 1.000 110.41000 ? 1 ASP B HB3 1 +ATOM 2717 N N . TYR B 2 2 ? 13.75400 -8.05600 10.01800 1.000 59.19657 ? 2 TYR B N 1 +ATOM 2718 C CA . TYR B 2 2 ? 13.10200 -8.97500 9.09500 1.000 62.68646 ? 2 TYR B CA 1 +ATOM 2719 C C . TYR B 2 2 ? 11.87600 -9.62700 9.72800 1.000 60.89414 ? 2 TYR B C 1 +ATOM 2720 O O . TYR B 2 2 ? 10.76200 -9.53300 9.20000 1.000 58.20698 ? 2 TYR B O 1 +ATOM 2721 C CB . TYR B 2 2 ? 14.12500 -10.02100 8.64300 1.000 64.71829 ? 2 TYR B CB 1 +ATOM 2722 C CG . TYR B 2 2 ? 13.56000 -11.20100 7.89800 1.000 69.02143 ? 2 TYR B CG 1 +ATOM 2723 C CD1 . TYR B 2 2 ? 13.30700 -11.13100 6.53700 1.000 66.59219 ? 2 TYR B CD1 1 +ATOM 2724 C CD2 . TYR B 2 2 ? 13.29700 -12.39700 8.55300 1.000 68.54506 ? 2 TYR B CD2 1 +ATOM 2725 C CE1 . TYR B 2 2 ? 12.79300 -12.21700 5.85300 1.000 69.95839 ? 2 TYR B CE1 1 +ATOM 2726 C CE2 . TYR B 2 2 ? 12.79000 -13.48400 7.87800 1.000 67.08173 ? 2 TYR B CE2 1 +ATOM 2727 C CZ . TYR B 2 2 ? 12.53900 -13.39300 6.53300 1.000 71.58753 ? 2 TYR B CZ 1 +ATOM 2728 O OH . TYR B 2 2 ? 12.03100 -14.47600 5.85400 1.000 76.09860 ? 2 TYR B OH 1 +ATOM 2729 H H . TYR B 2 2 ? 14.56800 -8.26200 10.20300 1.000 71.05000 ? 2 TYR B H 1 +ATOM 2730 H HA . TYR B 2 2 ? 12.78900 -8.48900 8.31600 1.000 75.24000 ? 2 TYR B HA 1 +ATOM 2731 H HB2 . TYR B 2 2 ? 14.76400 -9.58900 8.05500 1.000 77.68000 ? 2 TYR B HB2 1 +ATOM 2732 H HB3 . TYR B 2 2 ? 14.57700 -10.36600 9.42900 1.000 77.68000 ? 2 TYR B HB3 1 +ATOM 2733 H HD1 . TYR B 2 2 ? 13.48600 -10.34300 6.07700 1.000 79.92000 ? 2 TYR B HD1 1 +ATOM 2734 H HD2 . TYR B 2 2 ? 13.46600 -12.46400 9.46500 1.000 82.27000 ? 2 TYR B HD2 1 +ATOM 2735 H HE1 . TYR B 2 2 ? 12.61900 -12.15700 4.94100 1.000 83.96000 ? 2 TYR B HE1 1 +ATOM 2736 H HE2 . TYR B 2 2 ? 12.61800 -14.27700 8.33200 1.000 80.51000 ? 2 TYR B HE2 1 +ATOM 2737 H HH . TYR B 2 2 ? 11.96700 -15.13500 6.37100 1.000 91.33000 ? 2 TYR B HH 1 +ATOM 2738 N N . ILE B 2 3 ? 12.06200 -10.28900 10.86700 1.000 59.19657 ? 3 ILE B N 1 +ATOM 2739 C CA . ILE B 2 3 ? 10.96000 -11.02900 11.47600 1.000 61.81267 ? 3 ILE B CA 1 +ATOM 2740 C C . ILE B 2 3 ? 9.79400 -10.09700 11.77600 1.000 50.04811 ? 3 ILE B C 1 +ATOM 2741 O O . ILE B 2 3 ? 8.63200 -10.42700 11.52800 1.000 50.23234 ? 3 ILE B O 1 +ATOM 2742 C CB . ILE B 2 3 ? 11.42800 -11.75200 12.75100 1.000 60.28354 ? 3 ILE B CB 1 +ATOM 2743 C CG1 . ILE B 2 3 ? 12.40900 -12.87100 12.40500 1.000 62.14166 ? 3 ILE B CG1 1 +ATOM 2744 C CG2 . ILE B 2 3 ? 10.21900 -12.29300 13.50400 1.000 56.32781 ? 3 ILE B CG2 1 +ATOM 2745 C CD1 . ILE B 2 3 ? 13.09500 -13.48400 13.62900 1.000 74.88266 ? 3 ILE B CD1 1 +ATOM 2746 H H . ILE B 2 3 ? 12.80400 -10.32500 11.30100 1.000 71.05000 ? 3 ILE B H 1 +ATOM 2747 H HA . ILE B 2 3 ? 10.66100 -11.69800 10.84000 1.000 74.19000 ? 3 ILE B HA 1 +ATOM 2748 H HB . ILE B 2 3 ? 11.89300 -11.12100 13.32200 1.000 72.35000 ? 3 ILE B HB 1 +ATOM 2749 H HG12 . ILE B 2 3 ? 11.92800 -13.57900 11.94900 1.000 74.58000 ? 3 ILE B HG12 1 +ATOM 2750 H HG13 . ILE B 2 3 ? 13.10000 -12.51300 11.82500 1.000 74.58000 ? 3 ILE B HG13 1 +ATOM 2751 H HG21 . ILE B 2 3 ? 10.52000 -12.93200 14.16800 1.000 67.60000 ? 3 ILE B HG21 1 +ATOM 2752 H HG22 . ILE B 2 3 ? 9.76200 -11.55600 13.93800 1.000 67.60000 ? 3 ILE B HG22 1 +ATOM 2753 H HG23 . ILE B 2 3 ? 9.62200 -12.72700 12.87400 1.000 67.60000 ? 3 ILE B HG23 1 +ATOM 2754 H HD11 . ILE B 2 3 ? 13.86000 -14.00400 13.33600 1.000 89.87000 ? 3 ILE B HD11 1 +ATOM 2755 H HD12 . ILE B 2 3 ? 13.38700 -12.77000 14.21800 1.000 89.87000 ? 3 ILE B HD12 1 +ATOM 2756 H HD13 . ILE B 2 3 ? 12.46400 -14.05700 14.09200 1.000 89.87000 ? 3 ILE B HD13 1 +ATOM 2757 N N . ARG B 2 4 ? 10.08400 -8.93400 12.34900 1.000 53.00899 ? 4 ARG B N 1 +ATOM 2758 C CA . ARG B 2 4 ? 9.01100 -8.00200 12.67700 1.000 57.64902 ? 4 ARG B CA 1 +ATOM 2759 C C . ARG B 2 4 ? 8.29800 -7.53400 11.41800 1.000 51.44564 ? 4 ARG B C 1 +ATOM 2760 O O . ARG B 2 4 ? 7.07600 -7.33100 11.42300 1.000 46.96616 ? 4 ARG B O 1 +ATOM 2761 C CB . ARG B 2 4 ? 9.54700 -6.80100 13.44800 1.000 56.79102 ? 4 ARG B CB 1 +ATOM 2762 C CG . ARG B 2 4 ? 9.95200 -7.13300 14.86300 1.000 66.05002 ? 4 ARG B CG 1 +ATOM 2763 C CD . ARG B 2 4 ? 9.43900 -6.07100 15.80800 1.000 71.59543 ? 4 ARG B CD 1 +ATOM 2764 N NE . ARG B 2 4 ? 10.31500 -5.90000 16.95400 1.000 81.78349 ? 4 ARG B NE 1 +ATOM 2765 C CZ . ARG B 2 4 ? 10.38200 -4.79400 17.67800 1.000 101.93854 ? 4 ARG B CZ 1 +ATOM 2766 N NH1 . ARG B 2 4 ? 9.64900 -3.73100 17.38300 1.000 104.13091 ? 4 ARG B NH1 1 +ATOM 2767 N NH2 . ARG B 2 4 ? 11.21200 -4.74700 18.71700 1.000 116.70610 ? 4 ARG B NH2 1 +ATOM 2768 H H . ARG B 2 4 ? 10.87400 -8.66500 12.55400 1.000 63.62000 ? 4 ARG B H 1 +ATOM 2769 H HA . ARG B 2 4 ? 8.37600 -8.46000 13.25000 1.000 69.19000 ? 4 ARG B HA 1 +ATOM 2770 H HB2 . ARG B 2 4 ? 10.32800 -6.45600 12.98800 1.000 68.16000 ? 4 ARG B HB2 1 +ATOM 2771 H HB3 . ARG B 2 4 ? 8.85800 -6.12000 13.48800 1.000 68.16000 ? 4 ARG B HB3 1 +ATOM 2772 H HG2 . ARG B 2 4 ? 9.57300 -7.98800 15.12000 1.000 79.27000 ? 4 ARG B HG2 1 +ATOM 2773 H HG3 . ARG B 2 4 ? 10.92000 -7.16600 14.92700 1.000 79.27000 ? 4 ARG B HG3 1 +ATOM 2774 H HD2 . ARG B 2 4 ? 9.38400 -5.22400 15.33800 1.000 85.93000 ? 4 ARG B HD2 1 +ATOM 2775 H HD3 . ARG B 2 4 ? 8.56100 -6.32800 16.13200 1.000 85.93000 ? 4 ARG B HD3 1 +ATOM 2776 H HE . ARG B 2 4 ? 10.82100 -6.55900 17.17600 1.000 98.15000 ? 4 ARG B HE 1 +ATOM 2777 H HH11 . ARG B 2 4 ? 9.11500 -3.75100 16.70900 1.000 124.97000 ? 4 ARG B HH11 1 +ATOM 2778 H HH12 . ARG B 2 4 ? 9.70600 -3.02100 17.86600 1.000 124.97000 ? 4 ARG B HH12 1 +ATOM 2779 H HH21 . ARG B 2 4 ? 11.69600 -5.43000 18.91200 1.000 140.06000 ? 4 ARG B HH21 1 +ATOM 2780 H HH22 . ARG B 2 4 ? 11.26300 -4.03300 19.19400 1.000 140.06000 ? 4 ARG B HH22 1 +ATOM 2781 N N . GLU B 2 5 ? 9.04900 -7.35600 10.32700 1.000 47.40042 ? 5 GLU B N 1 +ATOM 2782 C CA . GLU B 2 5 ? 8.43900 -6.94500 9.06500 1.000 51.84569 ? 5 GLU B CA 1 +ATOM 2783 C C . GLU B 2 5 ? 7.49000 -8.02300 8.54800 1.000 46.23449 ? 5 GLU B C 1 +ATOM 2784 O O . GLU B 2 5 ? 6.36100 -7.73400 8.13800 1.000 47.66624 ? 5 GLU B O 1 +ATOM 2785 C CB . GLU B 2 5 ? 9.52300 -6.64600 8.02100 1.000 54.65392 ? 5 GLU B CB 1 +ATOM 2786 C CG . GLU B 2 5 ? 10.34700 -5.38400 8.27300 1.000 65.82368 ? 5 GLU B CG 1 +ATOM 2787 C CD . GLU B 2 5 ? 9.55700 -4.09800 8.07000 1.000 75.19323 ? 5 GLU B CD 1 +ATOM 2788 O OE1 . GLU B 2 5 ? 8.67300 -4.05900 7.18300 1.000 68.50558 ? 5 GLU B OE1 1 +ATOM 2789 O OE2 . GLU B 2 5 ? 9.81900 -3.12700 8.81300 1.000 84.20746 ? 5 GLU B OE2 1 +ATOM 2790 H H . GLU B 2 5 ? 9.90100 -7.46600 10.29400 1.000 56.89000 ? 5 GLU B H 1 +ATOM 2791 H HA . GLU B 2 5 ? 7.93300 -6.13100 9.21400 1.000 62.23000 ? 5 GLU B HA 1 +ATOM 2792 H HB2 . GLU B 2 5 ? 10.14000 -7.39400 7.99900 1.000 65.60000 ? 5 GLU B HB2 1 +ATOM 2793 H HB3 . GLU B 2 5 ? 9.09400 -6.54400 7.15700 1.000 65.60000 ? 5 GLU B HB3 1 +ATOM 2794 H HG2 . GLU B 2 5 ? 10.66600 -5.39500 9.18900 1.000 79.00000 ? 5 GLU B HG2 1 +ATOM 2795 H HG3 . GLU B 2 5 ? 11.09800 -5.37100 7.66000 1.000 79.00000 ? 5 GLU B HG3 1 +ATOM 2796 N N . LEU B 2 6 ? 7.95000 -9.27700 8.53600 1.000 48.49002 ? 6 LEU B N 1 +ATOM 2797 C CA . LEU B 2 6 ? 7.10400 -10.38300 8.10400 1.000 47.15565 ? 6 LEU B CA 1 +ATOM 2798 C C . LEU B 2 6 ? 5.81900 -10.44000 8.91800 1.000 39.40472 ? 6 LEU B C 1 +ATOM 2799 O O . LEU B 2 6 ? 4.71600 -10.50100 8.35800 1.000 39.38630 ? 6 LEU B O 1 +ATOM 2800 C CB . LEU B 2 6 ? 7.86100 -11.70500 8.24000 1.000 51.79042 ? 6 LEU B CB 1 +ATOM 2801 C CG . LEU B 2 6 ? 7.01000 -12.95600 7.98900 1.000 51.52986 ? 6 LEU B CG 1 +ATOM 2802 C CD1 . LEU B 2 6 ? 6.41300 -12.88900 6.61100 1.000 51.16140 ? 6 LEU B CD1 1 +ATOM 2803 C CD2 . LEU B 2 6 ? 7.85600 -14.19700 8.17000 1.000 60.81519 ? 6 LEU B CD2 1 +ATOM 2804 H H . LEU B 2 6 ? 8.74300 -9.51000 8.77200 1.000 58.20000 ? 6 LEU B H 1 +ATOM 2805 H HA . LEU B 2 6 ? 6.87500 -10.25000 7.17100 1.000 56.60000 ? 6 LEU B HA 1 +ATOM 2806 H HB2 . LEU B 2 6 ? 8.58700 -11.71000 7.59700 1.000 62.16000 ? 6 LEU B HB2 1 +ATOM 2807 H HB3 . LEU B 2 6 ? 8.21400 -11.76600 9.14100 1.000 62.16000 ? 6 LEU B HB3 1 +ATOM 2808 H HG . LEU B 2 6 ? 6.28100 -13.00600 8.62700 1.000 61.85000 ? 6 LEU B HG 1 +ATOM 2809 H HD11 . LEU B 2 6 ? 5.98900 -13.73800 6.40800 1.000 61.41000 ? 6 LEU B HD11 1 +ATOM 2810 H HD12 . LEU B 2 6 ? 5.75500 -12.17700 6.58700 1.000 61.41000 ? 6 LEU B HD12 1 +ATOM 2811 H HD13 . LEU B 2 6 ? 7.11800 -12.70900 5.96900 1.000 61.41000 ? 6 LEU B HD13 1 +ATOM 2812 H HD21 . LEU B 2 6 ? 7.32000 -14.97800 7.95900 1.000 72.99000 ? 6 LEU B HD21 1 +ATOM 2813 H HD22 . LEU B 2 6 ? 8.61900 -14.14900 7.57300 1.000 72.99000 ? 6 LEU B HD22 1 +ATOM 2814 H HD23 . LEU B 2 6 ? 8.15800 -14.24200 9.09100 1.000 72.99000 ? 6 LEU B HD23 1 +ATOM 2815 N N . ARG B 2 7 ? 5.95500 -10.45100 10.24700 1.000 44.08160 ? 7 ARG B N 1 +ATOM 2816 C CA . ARG B 2 7 ? 4.79100 -10.50400 11.12300 1.000 39.50474 ? 7 ARG B CA 1 +ATOM 2817 C C . ARG B 2 7 ? 3.85000 -9.34000 10.87400 1.000 38.77044 ? 7 ARG B C 1 +ATOM 2818 O O . ARG B 2 7 ? 2.63400 -9.53100 10.74600 1.000 40.23377 ? 7 ARG B O 1 +ATOM 2819 C CB . ARG B 2 7 ? 5.24400 -10.51300 12.58600 1.000 43.11570 ? 7 ARG B CB 1 +ATOM 2820 C CG . ARG B 2 7 ? 5.97500 -11.77400 13.00100 1.000 39.88373 ? 7 ARG B CG 1 +ATOM 2821 C CD . ARG B 2 7 ? 6.44600 -11.67300 14.45300 1.000 44.00264 ? 7 ARG B CD 1 +ATOM 2822 N NE . ARG B 2 7 ? 6.95700 -12.93500 14.96100 1.000 48.73742 ? 7 ARG B NE 1 +ATOM 2823 C CZ . ARG B 2 7 ? 7.64600 -13.06300 16.08300 1.000 50.82188 ? 7 ARG B CZ 1 +ATOM 2824 N NH1 . ARG B 2 7 ? 7.94200 -12.02000 16.82800 1.000 43.74472 ? 7 ARG B NH1 1 +ATOM 2825 N NH2 . ARG B 2 7 ? 8.04700 -14.27100 16.46200 1.000 52.69842 ? 7 ARG B NH2 1 +ATOM 2826 H H . ARG B 2 7 ? 6.70800 -10.42700 10.66200 1.000 52.91000 ? 7 ARG B H 1 +ATOM 2827 H HA . ARG B 2 7 ? 4.30700 -11.32400 10.93900 1.000 47.42000 ? 7 ARG B HA 1 +ATOM 2828 H HB2 . ARG B 2 7 ? 5.84400 -9.76500 12.72900 1.000 51.75000 ? 7 ARG B HB2 1 +ATOM 2829 H HB3 . ARG B 2 7 ? 4.46200 -10.42600 13.15300 1.000 51.75000 ? 7 ARG B HB3 1 +ATOM 2830 H HG2 . ARG B 2 7 ? 5.37900 -12.53500 12.92300 1.000 47.87000 ? 7 ARG B HG2 1 +ATOM 2831 H HG3 . ARG B 2 7 ? 6.75100 -11.90100 12.43300 1.000 47.87000 ? 7 ARG B HG3 1 +ATOM 2832 H HD2 . ARG B 2 7 ? 7.15700 -11.01600 14.51100 1.000 52.81000 ? 7 ARG B HD2 1 +ATOM 2833 H HD3 . ARG B 2 7 ? 5.70000 -11.40400 15.01100 1.000 52.81000 ? 7 ARG B HD3 1 +ATOM 2834 H HE . ARG B 2 7 ? 6.80100 -13.64600 14.50200 1.000 58.50000 ? 7 ARG B HE 1 +ATOM 2835 H HH11 . ARG B 2 7 ? 7.68600 -11.23400 16.58800 1.000 52.51000 ? 7 ARG B HH11 1 +ATOM 2836 H HH12 . ARG B 2 7 ? 8.39000 -12.12300 17.55400 1.000 52.51000 ? 7 ARG B HH12 1 +ATOM 2837 H HH21 . ARG B 2 7 ? 7.85800 -14.95800 15.98000 1.000 63.25000 ? 7 ARG B HH21 1 +ATOM 2838 H HH22 . ARG B 2 7 ? 8.49600 -14.36700 17.19000 1.000 63.25000 ? 7 ARG B HH22 1 +ATOM 2839 N N . ALA B 2 8 ? 4.39000 -8.12100 10.81600 1.000 40.17324 ? 8 ALA B N 1 +ATOM 2840 C CA . ALA B 2 8 ? 3.54500 -6.94200 10.62500 1.000 40.25219 ? 8 ALA B CA 1 +ATOM 2841 C C . ALA B 2 8 ? 2.81500 -7.00500 9.29200 1.000 42.22348 ? 8 ALA B C 1 +ATOM 2842 O O . ALA B 2 8 ? 1.65700 -6.58200 9.18600 1.000 38.75201 ? 8 ALA B O 1 +ATOM 2843 C CB . ALA B 2 8 ? 4.39700 -5.66400 10.71300 1.000 43.37362 ? 8 ALA B CB 1 +ATOM 2844 H H . ALA B 2 8 ? 5.23000 -7.95100 10.88300 1.000 48.22000 ? 8 ALA B H 1 +ATOM 2845 H HA . ALA B 2 8 ? 2.88200 -6.91100 11.33300 1.000 48.31000 ? 8 ALA B HA 1 +ATOM 2846 H HB1 . ALA B 2 8 ? 3.82400 -4.89300 10.57700 1.000 52.06000 ? 8 ALA B HB1 1 +ATOM 2847 H HB2 . ALA B 2 8 ? 4.80900 -5.61900 11.59000 1.000 52.06000 ? 8 ALA B HB2 1 +ATOM 2848 H HB3 . ALA B 2 8 ? 5.08100 -5.69300 10.02700 1.000 52.06000 ? 8 ALA B HB3 1 +ATOM 2849 N N . ALA B 2 9 ? 3.47700 -7.53000 8.25200 1.000 41.04176 ? 9 ALA B N 1 +ATOM 2850 C CA . ALA B 2 9 ? 2.80800 -7.68100 6.96500 1.000 40.40221 ? 9 ALA B CA 1 +ATOM 2851 C C . ALA B 2 9 ? 1.68400 -8.70700 7.04700 1.000 39.32050 ? 9 ALA B C 1 +ATOM 2852 O O . ALA B 2 9 ? 0.58800 -8.47700 6.51500 1.000 38.54146 ? 9 ALA B O 1 +ATOM 2853 C CB . ALA B 2 9 ? 3.82600 -8.08600 5.89400 1.000 41.32601 ? 9 ALA B CB 1 +ATOM 2854 H H . ALA B 2 9 ? 4.29300 -7.79900 8.27000 1.000 49.26000 ? 9 ALA B H 1 +ATOM 2855 H HA . ALA B 2 9 ? 2.42000 -6.82900 6.70900 1.000 48.49000 ? 9 ALA B HA 1 +ATOM 2856 H HB1 . ALA B 2 9 ? 3.36900 -8.18200 5.04400 1.000 49.60000 ? 9 ALA B HB1 1 +ATOM 2857 H HB2 . ALA B 2 9 ? 4.50600 -7.39600 5.82800 1.000 49.60000 ? 9 ALA B HB2 1 +ATOM 2858 H HB3 . ALA B 2 9 ? 4.23400 -8.92800 6.14800 1.000 49.60000 ? 9 ALA B HB3 1 +ATOM 2859 N N . LEU B 2 10 ? 1.93300 -9.84900 7.69700 1.000 38.45987 ? 10 LEU B N 1 +ATOM 2860 C CA . LEU B 2 10 ? 0.86400 -10.83500 7.89000 1.000 38.40724 ? 10 LEU B CA 1 +ATOM 2861 C C . LEU B 2 10 ? -0.31900 -10.23200 8.64000 1.000 38.23616 ? 10 LEU B C 1 +ATOM 2862 O O . LEU B 2 10 ? -1.47900 -10.49500 8.31700 1.000 38.15194 ? 10 LEU B O 1 +ATOM 2863 C CB . LEU B 2 10 ? 1.40700 -12.05100 8.65000 1.000 38.56515 ? 10 LEU B CB 1 +ATOM 2864 C CG . LEU B 2 10 ? 2.35200 -12.97400 7.87900 1.000 39.94426 ? 10 LEU B CG 1 +ATOM 2865 C CD1 . LEU B 2 10 ? 2.95700 -14.04600 8.77000 1.000 39.10469 ? 10 LEU B CD1 1 +ATOM 2866 C CD2 . LEU B 2 10 ? 1.61500 -13.64600 6.72800 1.000 38.75991 ? 10 LEU B CD2 1 +ATOM 2867 H H . LEU B 2 10 ? 2.69400 -10.07300 8.02800 1.000 46.09000 ? 10 LEU B H 1 +ATOM 2868 H HA . LEU B 2 10 ? 0.55300 -11.13000 7.02000 1.000 46.03000 ? 10 LEU B HA 1 +ATOM 2869 H HB2 . LEU B 2 10 ? 1.89300 -11.72800 9.42500 1.000 46.22000 ? 10 LEU B HB2 1 +ATOM 2870 H HB3 . LEU B 2 10 ? 0.65100 -12.59000 8.93300 1.000 46.22000 ? 10 LEU B HB3 1 +ATOM 2871 H HG . LEU B 2 10 ? 3.07400 -12.42700 7.53400 1.000 47.94000 ? 10 LEU B HG 1 +ATOM 2872 H HD11 . LEU B 2 10 ? 3.53200 -14.61400 8.23400 1.000 46.94000 ? 10 LEU B HD11 1 +ATOM 2873 H HD12 . LEU B 2 10 ? 3.47400 -13.61900 9.47100 1.000 46.94000 ? 10 LEU B HD12 1 +ATOM 2874 H HD13 . LEU B 2 10 ? 2.24200 -14.57300 9.16000 1.000 46.94000 ? 10 LEU B HD13 1 +ATOM 2875 H HD21 . LEU B 2 10 ? 2.17600 -14.34700 6.36000 1.000 46.46000 ? 10 LEU B HD21 1 +ATOM 2876 H HD22 . LEU B 2 10 ? 0.78700 -14.02500 7.06100 1.000 46.46000 ? 10 LEU B HD22 1 +ATOM 2877 H HD23 . LEU B 2 10 ? 1.42500 -12.98300 6.04500 1.000 46.46000 ? 10 LEU B HD23 1 +ATOM 2878 N N . ILE B 2 11 ? -0.04400 -9.44800 9.67600 1.000 38.22564 ? 11 ILE B N 1 +ATOM 2879 C CA . ILE B 2 11 ? -1.12400 -8.83400 10.45700 1.000 38.09667 ? 11 ILE B CA 1 +ATOM 2880 C C . ILE B 2 11 ? -1.91800 -7.87200 9.58900 1.000 38.03614 ? 11 ILE B C 1 +ATOM 2881 O O . ILE B 2 11 ? -3.15700 -7.90000 9.56000 1.000 40.56539 ? 11 ILE B O 1 +ATOM 2882 C CB . ILE B 2 11 ? -0.53700 -8.12200 11.69400 1.000 41.16546 ? 11 ILE B CB 1 +ATOM 2883 C CG1 . ILE B 2 11 ? -0.03700 -9.16100 12.70300 1.000 39.98901 ? 11 ILE B CG1 1 +ATOM 2884 C CG2 . ILE B 2 11 ? -1.56200 -7.18000 12.31800 1.000 42.72881 ? 11 ILE B CG2 1 +ATOM 2885 C CD1 . ILE B 2 11 ? 0.85700 -8.56800 13.78200 1.000 38.45461 ? 11 ILE B CD1 1 +ATOM 2886 H H . ILE B 2 11 ? 0.74800 -9.25500 9.94900 1.000 45.81000 ? 11 ILE B H 1 +ATOM 2887 H HA . ILE B 2 11 ? -1.72700 -9.53000 10.76100 1.000 45.66000 ? 11 ILE B HA 1 +ATOM 2888 H HB . ILE B 2 11 ? 0.21800 -7.58100 11.41600 1.000 49.41000 ? 11 ILE B HB 1 +ATOM 2889 H HG12 . ILE B 2 11 ? -0.80200 -9.56800 13.13900 1.000 48.00000 ? 11 ILE B HG12 1 +ATOM 2890 H HG13 . ILE B 2 11 ? 0.47400 -9.83600 12.23000 1.000 48.00000 ? 11 ILE B HG13 1 +ATOM 2891 H HG21 . ILE B 2 11 ? -1.26700 -6.93800 13.21000 1.000 51.29000 ? 11 ILE B HG21 1 +ATOM 2892 H HG22 . ILE B 2 11 ? -1.63600 -6.38500 11.76700 1.000 51.29000 ? 11 ILE B HG22 1 +ATOM 2893 H HG23 . ILE B 2 11 ? -2.41900 -7.63100 12.36400 1.000 51.29000 ? 11 ILE B HG23 1 +ATOM 2894 H HD11 . ILE B 2 11 ? 1.24900 -9.28900 14.29900 1.000 46.09000 ? 11 ILE B HD11 1 +ATOM 2895 H HD12 . ILE B 2 11 ? 1.55600 -8.04500 13.36100 1.000 46.09000 ? 11 ILE B HD12 1 +ATOM 2896 H HD13 . ILE B 2 11 ? 0.32100 -8.00100 14.35900 1.000 46.09000 ? 11 ILE B HD13 1 +ATOM 2897 N N . LEU B 2 12 ? -1.21000 -7.01500 8.85800 1.000 37.98350 ? 12 LEU B N 1 +ATOM 2898 C CA A LEU B 2 12 ? -1.87200 -6.05200 7.98100 0.400 46.34766 ? 12 LEU B CA 1 +ATOM 2899 C CA B LEU B 2 12 ? -1.86800 -6.05500 7.98000 0.600 46.38977 ? 12 LEU B CA 1 +ATOM 2900 C C . LEU B 2 12 ? -2.79900 -6.75200 6.99300 1.000 42.69722 ? 12 LEU B C 1 +ATOM 2901 O O . LEU B 2 12 ? -3.96900 -6.37200 6.83700 1.000 42.98936 ? 12 LEU B O 1 +ATOM 2902 C CB A LEU B 2 12 ? -0.83200 -5.22700 7.22100 0.400 46.30292 ? 12 LEU B CB 1 +ATOM 2903 C CB B LEU B 2 12 ? -0.81000 -5.25300 7.22700 0.600 46.27923 ? 12 LEU B CB 1 +ATOM 2904 C CG A LEU B 2 12 ? 0.02000 -4.26300 8.04300 0.400 51.13508 ? 12 LEU B CG 1 +ATOM 2905 C CG B LEU B 2 12 ? -1.34000 -4.25100 6.21300 0.600 52.77212 ? 12 LEU B CG 1 +ATOM 2906 C CD1 A LEU B 2 12 ? 1.10500 -3.63400 7.17500 0.400 54.34336 ? 12 LEU B CD1 1 +ATOM 2907 C CD1 B LEU B 2 12 ? -2.14400 -3.19300 6.94100 0.600 57.47794 ? 12 LEU B CD1 1 +ATOM 2908 C CD2 A LEU B 2 12 ? -0.84800 -3.18900 8.67100 0.400 49.76649 ? 12 LEU B CD2 1 +ATOM 2909 C CD2 B LEU B 2 12 ? -0.18800 -3.63900 5.43300 0.600 57.79377 ? 12 LEU B CD2 1 +ATOM 2910 H H . LEU B 2 12 ? -0.35100 -6.96600 8.85000 1.000 45.54000 ? 12 LEU B H 1 +ATOM 2911 H HA . LEU B 2 12 ? -2.40100 -5.45300 8.53000 1.000 55.68000 ? 12 LEU B HA 1 +ATOM 2912 H HB2 A LEU B 2 12 ? -0.22200 -5.84300 6.78600 0.400 55.57000 ? 12 LEU B HB2 1 +ATOM 2913 H HB2 B LEU B 2 12 ? -0.28600 -4.75800 7.87500 0.600 55.55000 ? 12 LEU B HB2 1 +ATOM 2914 H HB3 A LEU B 2 12 ? -1.29800 -4.69700 6.55600 0.400 55.57000 ? 12 LEU B HB3 1 +ATOM 2915 H HB3 B LEU B 2 12 ? -0.24200 -5.87600 6.74700 0.600 55.55000 ? 12 LEU B HB3 1 +ATOM 2916 H HG A LEU B 2 12 ? 0.45300 -4.75600 8.75700 0.400 61.37000 ? 12 LEU B HG 1 +ATOM 2917 H HG B LEU B 2 12 ? -1.92100 -4.68700 5.57100 0.600 63.34000 ? 12 LEU B HG 1 +ATOM 2918 H HD11 A LEU B 2 12 ? 1.65800 -3.06000 7.72700 0.400 65.22000 ? 12 LEU B HD11 1 +ATOM 2919 H HD11 B LEU B 2 12 ? -3.07600 -3.27100 6.68300 0.600 68.98000 ? 12 LEU B HD11 1 +ATOM 2920 H HD12 A LEU B 2 12 ? 1.64500 -4.33900 6.78400 0.400 65.22000 ? 12 LEU B HD12 1 +ATOM 2921 H HD12 B LEU B 2 12 ? -2.05300 -3.32800 7.89700 0.600 68.98000 ? 12 LEU B HD12 1 +ATOM 2922 H HD13 A LEU B 2 12 ? 0.68400 -3.11200 6.47300 0.400 65.22000 ? 12 LEU B HD13 1 +ATOM 2923 H HD13 B LEU B 2 12 ? -1.80600 -2.31600 6.69700 0.600 68.98000 ? 12 LEU B HD13 1 +ATOM 2924 H HD21 A LEU B 2 12 ? -0.27700 -2.48600 9.02000 0.400 59.73000 ? 12 LEU B HD21 1 +ATOM 2925 H HD21 B LEU B 2 12 ? -0.54400 -3.01700 4.77900 0.600 69.36000 ? 12 LEU B HD21 1 +ATOM 2926 H HD22 A LEU B 2 12 ? -1.44200 -2.82700 7.99500 0.400 59.73000 ? 12 LEU B HD22 1 +ATOM 2927 H HD22 B LEU B 2 12 ? 0.39800 -3.17200 6.04900 0.600 69.36000 ? 12 LEU B HD22 1 +ATOM 2928 H HD23 A LEU B 2 12 ? -1.36600 -3.58200 9.39100 0.400 59.73000 ? 12 LEU B HD23 1 +ATOM 2929 H HD23 B LEU B 2 12 ? 0.30100 -4.34700 4.98400 0.600 69.36000 ? 12 LEU B HD23 1 +ATOM 2930 N N . LEU B 2 13 ? -2.29000 -7.77000 6.30700 1.000 39.34945 ? 13 LEU B N 1 +ATOM 2931 C CA . LEU B 2 13 ? -3.10900 -8.48000 5.33000 1.000 42.60248 ? 13 LEU B CA 1 +ATOM 2932 C C . LEU B 2 13 ? -4.27700 -9.19300 5.98900 1.000 41.53919 ? 13 LEU B C 1 +ATOM 2933 O O . LEU B 2 13 ? -5.38400 -9.21500 5.45200 1.000 39.92847 ? 13 LEU B O 1 +ATOM 2934 C CB . LEU B 2 13 ? -2.24400 -9.47800 4.57800 1.000 38.11510 ? 13 LEU B CB 1 +ATOM 2935 C CG . LEU B 2 13 ? -1.21800 -8.78100 3.67500 1.000 38.71254 ? 13 LEU B CG 1 +ATOM 2936 C CD1 . LEU B 2 13 ? -0.19300 -9.82400 3.25700 1.000 48.93481 ? 13 LEU B CD1 1 +ATOM 2937 C CD2 . LEU B 2 13 ? -1.90100 -8.13900 2.47100 1.000 44.02896 ? 13 LEU B CD2 1 +ATOM 2938 H H . LEU B 2 13 ? -1.48700 -8.06500 6.38600 1.000 47.23000 ? 13 LEU B H 1 +ATOM 2939 H HA . LEU B 2 13 ? -3.47100 -7.83700 4.70000 1.000 51.14000 ? 13 LEU B HA 1 +ATOM 2940 H HB2 . LEU B 2 13 ? -1.76400 -10.02700 5.21700 1.000 45.68000 ? 13 LEU B HB2 1 +ATOM 2941 H HB3 . LEU B 2 13 ? -2.81100 -10.03500 4.02200 1.000 45.68000 ? 13 LEU B HB3 1 +ATOM 2942 H HG . LEU B 2 13 ? -0.77100 -8.05900 4.14300 1.000 46.47000 ? 13 LEU B HG 1 +ATOM 2943 H HD11 . LEU B 2 13 ? 0.46500 -9.40700 2.68000 1.000 58.73000 ? 13 LEU B HD11 1 +ATOM 2944 H HD12 . LEU B 2 13 ? 0.24000 -10.17700 4.05100 1.000 58.73000 ? 13 LEU B HD12 1 +ATOM 2945 H HD13 . LEU B 2 13 ? -0.64400 -10.53900 2.78200 1.000 58.73000 ? 13 LEU B HD13 1 +ATOM 2946 H HD21 . LEU B 2 13 ? -1.22300 -7.77800 1.87900 1.000 52.85000 ? 13 LEU B HD21 1 +ATOM 2947 H HD22 . LEU B 2 13 ? -2.42100 -8.81300 2.00600 1.000 52.85000 ? 13 LEU B HD22 1 +ATOM 2948 H HD23 . LEU B 2 13 ? -2.48300 -7.42800 2.78000 1.000 52.85000 ? 13 LEU B HD23 1 +ATOM 2949 N N . ALA B 2 14 ? -4.05100 -9.79300 7.15500 1.000 37.94929 ? 14 ALA B N 1 +ATOM 2950 C CA . ALA B 2 14 ? -5.14300 -10.50000 7.82100 1.000 39.08890 ? 14 ALA B CA 1 +ATOM 2951 C C . ALA B 2 14 ? -6.26400 -9.53400 8.18600 1.000 41.90766 ? 14 ALA B C 1 +ATOM 2952 O O . ALA B 2 14 ? -7.45200 -9.84400 8.01400 1.000 40.05480 ? 14 ALA B O 1 +ATOM 2953 C CB . ALA B 2 14 ? -4.61900 -11.21800 9.07700 1.000 38.02035 ? 14 ALA B CB 1 +ATOM 2954 H H . ALA B 2 14 ? -3.29800 -9.80600 7.57100 1.000 45.48000 ? 14 ALA B H 1 +ATOM 2955 H HA . ALA B 2 14 ? -5.50000 -11.17300 7.22100 1.000 46.92000 ? 14 ALA B HA 1 +ATOM 2956 H HB1 . ALA B 2 14 ? -5.36100 -11.65800 9.52100 1.000 45.63000 ? 14 ALA B HB1 1 +ATOM 2957 H HB2 . ALA B 2 14 ? -3.95600 -11.87400 8.81200 1.000 45.63000 ? 14 ALA B HB2 1 +ATOM 2958 H HB3 . ALA B 2 14 ? -4.21900 -10.56400 9.67100 1.000 45.63000 ? 14 ALA B HB3 1 +ATOM 2959 N N . LEU B 2 15 ? -5.90600 -8.34500 8.67700 1.000 40.26799 ? 15 LEU B N 1 +ATOM 2960 C CA . LEU B 2 15 ? -6.92600 -7.37100 9.04500 1.000 41.88660 ? 15 LEU B CA 1 +ATOM 2961 C C . LEU B 2 15 ? -7.63800 -6.83400 7.81200 1.000 47.07407 ? 15 LEU B C 1 +ATOM 2962 O O . LEU B 2 15 ? -8.84600 -6.58900 7.84200 1.000 48.15577 ? 15 LEU B O 1 +ATOM 2963 C CB . LEU B 2 15 ? -6.30000 -6.22600 9.84000 1.000 42.30770 ? 15 LEU B CB 1 +ATOM 2964 C CG . LEU B 2 15 ? -5.64900 -6.60100 11.18200 1.000 41.14704 ? 15 LEU B CG 1 +ATOM 2965 C CD1 . LEU B 2 15 ? -5.24000 -5.32900 11.95200 1.000 51.14561 ? 15 LEU B CD1 1 +ATOM 2966 C CD2 . LEU B 2 15 ? -6.54400 -7.48000 12.04000 1.000 46.65296 ? 15 LEU B CD2 1 +ATOM 2967 H H . LEU B 2 15 ? -5.09600 -8.08500 8.80200 1.000 48.33000 ? 15 LEU B H 1 +ATOM 2968 H HA . LEU B 2 15 ? -7.58100 -7.80600 9.61300 1.000 50.27000 ? 15 LEU B HA 1 +ATOM 2969 H HB2 . LEU B 2 15 ? -5.61000 -5.82000 9.29200 1.000 50.78000 ? 15 LEU B HB2 1 +ATOM 2970 H HB3 . LEU B 2 15 ? -6.99500 -5.57700 10.03200 1.000 50.78000 ? 15 LEU B HB3 1 +ATOM 2971 H HG . LEU B 2 15 ? -4.85400 -7.12300 10.99000 1.000 49.39000 ? 15 LEU B HG 1 +ATOM 2972 H HD11 . LEU B 2 15 ? -4.81700 -5.58700 12.78600 1.000 61.39000 ? 15 LEU B HD11 1 +ATOM 2973 H HD12 . LEU B 2 15 ? -4.61800 -4.81900 11.41000 1.000 61.39000 ? 15 LEU B HD12 1 +ATOM 2974 H HD13 . LEU B 2 15 ? -6.03300 -4.80000 12.13300 1.000 61.39000 ? 15 LEU B HD13 1 +ATOM 2975 H HD21 . LEU B 2 15 ? -6.15100 -7.56500 12.92200 1.000 56.00000 ? 15 LEU B HD21 1 +ATOM 2976 H HD22 . LEU B 2 15 ? -7.42000 -7.07000 12.10600 1.000 56.00000 ? 15 LEU B HD22 1 +ATOM 2977 H HD23 . LEU B 2 15 ? -6.61900 -8.35400 11.62500 1.000 56.00000 ? 15 LEU B HD23 1 +ATOM 2978 N N . LYS B 2 16 ? -6.90200 -6.63700 6.71800 1.000 47.45306 ? 16 LYS B N 1 +ATOM 2979 C CA . LYS B 2 16 ? -7.55200 -6.19900 5.48300 1.000 55.29874 ? 16 LYS B CA 1 +ATOM 2980 C C . LYS B 2 16 ? -8.53500 -7.25200 4.98700 1.000 54.79078 ? 16 LYS B C 1 +ATOM 2981 O O . LYS B 2 16 ? -9.66400 -6.92800 4.59100 1.000 54.86710 ? 16 LYS B O 1 +ATOM 2982 C CB . LYS B 2 16 ? -6.50600 -5.89700 4.42100 1.000 55.61719 ? 16 LYS B CB 1 +ATOM 2983 C CG . LYS B 2 16 ? -5.70000 -4.63400 4.70100 1.000 68.23713 ? 16 LYS B CG 1 +ATOM 2984 C CD . LYS B 2 16 ? -6.61600 -3.41700 4.81100 1.000 82.10984 ? 16 LYS B CD 1 +ATOM 2985 C CE . LYS B 2 16 ? -5.83000 -2.11600 4.77300 1.000 90.52928 ? 16 LYS B CE 1 +ATOM 2986 N NZ . LYS B 2 16 ? -6.63200 -0.99800 4.19300 1.000 95.49303 ? 16 LYS B NZ 1 +ATOM 2987 H H . LYS B 2 16 ? -6.05000 -6.74700 6.66500 1.000 56.96000 ? 16 LYS B H 1 +ATOM 2988 H HA . LYS B 2 16 ? -8.04500 -5.38200 5.65400 1.000 66.37000 ? 16 LYS B HA 1 +ATOM 2989 H HB2 . LYS B 2 16 ? -5.88500 -6.64100 4.37400 1.000 66.75000 ? 16 LYS B HB2 1 +ATOM 2990 H HB3 . LYS B 2 16 ? -6.95100 -5.78200 3.56800 1.000 66.75000 ? 16 LYS B HB3 1 +ATOM 2991 H HG2 . LYS B 2 16 ? -5.22000 -4.73500 5.53800 1.000 81.89000 ? 16 LYS B HG2 1 +ATOM 2992 H HG3 . LYS B 2 16 ? -5.07300 -4.48300 3.97600 1.000 81.89000 ? 16 LYS B HG3 1 +ATOM 2993 H HD2 . LYS B 2 16 ? -7.23900 -3.41700 4.06700 1.000 98.55000 ? 16 LYS B HD2 1 +ATOM 2994 H HD3 . LYS B 2 16 ? -7.10100 -3.45500 5.65000 1.000 98.55000 ? 16 LYS B HD3 1 +ATOM 2995 H HE2 . LYS B 2 16 ? -5.57600 -1.87100 5.67700 1.000 108.65000 ? 16 LYS B HE2 1 +ATOM 2996 H HE3 . LYS B 2 16 ? -5.03800 -2.23700 4.22700 1.000 108.65000 ? 16 LYS B HE3 1 +ATOM 2997 H HZ1 . LYS B 2 16 ? -6.15500 -0.24600 4.19900 1.000 114.60000 ? 16 LYS B HZ1 1 +ATOM 2998 H HZ2 . LYS B 2 16 ? -6.85800 -1.18900 3.35400 1.000 114.60000 ? 16 LYS B HZ2 1 +ATOM 2999 H HZ3 . LYS B 2 16 ? -7.37300 -0.87400 4.67100 1.000 114.60000 ? 16 LYS B HZ3 1 +ATOM 3000 N N . LYS B 2 17 ? -8.12300 -8.51500 5.00700 1.000 47.08196 ? 17 LYS B N 1 +ATOM 3001 C CA . LYS B 2 17 ? -9.02700 -9.61300 4.68400 1.000 53.36166 ? 17 LYS B CA 1 +ATOM 3002 C C . LYS B 2 17 ? -10.28400 -9.55200 5.54000 1.000 58.24909 ? 17 LYS B C 1 +ATOM 3003 O O . LYS B 2 17 ? -11.40500 -9.66800 5.03300 1.000 58.12276 ? 17 LYS B O 1 +ATOM 3004 C CB . LYS B 2 17 ? -8.29700 -10.94600 4.89000 1.000 54.31704 ? 17 LYS B CB 1 +ATOM 3005 C CG . LYS B 2 17 ? -8.67700 -12.04400 3.93600 1.000 63.64974 ? 17 LYS B CG 1 +ATOM 3006 C CD . LYS B 2 17 ? -7.63600 -13.17700 3.93900 1.000 65.19203 ? 17 LYS B CD 1 +ATOM 3007 C CE . LYS B 2 17 ? -7.40400 -13.75000 5.33000 1.000 67.25806 ? 17 LYS B CE 1 +ATOM 3008 N NZ . LYS B 2 17 ? -6.63800 -15.04000 5.30600 1.000 73.33511 ? 17 LYS B NZ 1 +ATOM 3009 H H . LYS B 2 17 ? -7.32400 -8.76500 5.20600 1.000 56.51000 ? 17 LYS B H 1 +ATOM 3010 H HA . LYS B 2 17 ? -9.29400 -9.54800 3.75300 1.000 64.05000 ? 17 LYS B HA 1 +ATOM 3011 H HB2 . LYS B 2 17 ? -7.34400 -10.79100 4.78800 1.000 65.19000 ? 17 LYS B HB2 1 +ATOM 3012 H HB3 . LYS B 2 17 ? -8.48700 -11.26300 5.78700 1.000 65.19000 ? 17 LYS B HB3 1 +ATOM 3013 H HG2 . LYS B 2 17 ? -9.53300 -12.41600 4.19900 1.000 76.39000 ? 17 LYS B HG2 1 +ATOM 3014 H HG3 . LYS B 2 17 ? -8.73400 -11.68400 3.03700 1.000 76.39000 ? 17 LYS B HG3 1 +ATOM 3015 H HD2 . LYS B 2 17 ? -7.94600 -13.89500 3.36500 1.000 78.24000 ? 17 LYS B HD2 1 +ATOM 3016 H HD3 . LYS B 2 17 ? -6.79100 -12.83200 3.61100 1.000 78.24000 ? 17 LYS B HD3 1 +ATOM 3017 H HE2 . LYS B 2 17 ? -6.89800 -13.11000 5.85500 1.000 80.72000 ? 17 LYS B HE2 1 +ATOM 3018 H HE3 . LYS B 2 17 ? -8.26200 -13.91800 5.74900 1.000 80.72000 ? 17 LYS B HE3 1 +ATOM 3019 H HZ1 . LYS B 2 17 ? -6.49500 -15.32500 6.13700 1.000 88.01000 ? 17 LYS B HZ1 1 +ATOM 3020 H HZ2 . LYS B 2 17 ? -7.09900 -15.66000 4.86400 1.000 88.01000 ? 17 LYS B HZ2 1 +ATOM 3021 H HZ3 . LYS B 2 17 ? -5.85300 -14.92100 4.90300 1.000 88.01000 ? 17 LYS B HZ3 1 +ATOM 3022 N N . GLN B 2 18 ? -10.11500 -9.36800 6.85100 1.000 50.89294 ? 18 GLN B N 1 +ATOM 3023 C CA . GLN B 2 18 ? -11.27200 -9.40200 7.74100 1.000 54.96712 ? 18 GLN B CA 1 +ATOM 3024 C C . GLN B 2 18 ? -12.21200 -8.23500 7.47100 1.000 60.64411 ? 18 GLN B C 1 +ATOM 3025 O O . GLN B 2 18 ? -13.43500 -8.40800 7.44700 1.000 62.91017 ? 18 GLN B O 1 +ATOM 3026 C CB . GLN B 2 18 ? -10.82500 -9.38700 9.20300 1.000 51.96149 ? 18 GLN B CB 1 +ATOM 3027 C CG . GLN B 2 18 ? -11.98000 -9.49300 10.17900 1.000 56.56468 ? 18 GLN B CG 1 +ATOM 3028 C CD . GLN B 2 18 ? -12.76100 -10.79100 10.01500 1.000 60.27565 ? 18 GLN B CD 1 +ATOM 3029 O OE1 . GLN B 2 18 ? -12.19000 -11.87700 10.01400 1.000 54.05385 ? 18 GLN B OE1 1 +ATOM 3030 N NE2 . GLN B 2 18 ? -14.07400 -10.67400 9.84800 1.000 68.26608 ? 18 GLN B NE2 1 +ATOM 3031 H H . GLN B 2 18 ? -9.36100 -9.22500 7.24000 1.000 61.09000 ? 18 GLN B H 1 +ATOM 3032 H HA . GLN B 2 18 ? -11.75300 -10.22900 7.58100 1.000 65.97000 ? 18 GLN B HA 1 +ATOM 3033 H HB2 . GLN B 2 18 ? -10.23200 -10.13900 9.35800 1.000 62.37000 ? 18 GLN B HB2 1 +ATOM 3034 H HB3 . GLN B 2 18 ? -10.35800 -8.55500 9.38000 1.000 62.37000 ? 18 GLN B HB3 1 +ATOM 3035 H HG2 . GLN B 2 18 ? -11.63500 -9.46200 11.08500 1.000 67.89000 ? 18 GLN B HG2 1 +ATOM 3036 H HG3 . GLN B 2 18 ? -12.59000 -8.75300 10.03100 1.000 67.89000 ? 18 GLN B HG3 1 +ATOM 3037 H HE21 . GLN B 2 18 ? -14.43800 -9.89500 9.83700 1.000 81.93000 ? 18 GLN B HE21 1 +ATOM 3038 H HE22 . GLN B 2 18 ? -14.55900 -11.37700 9.75000 1.000 81.93000 ? 18 GLN B HE22 1 +ATOM 3039 N N . HIS B 2 19 ? -11.66500 -7.04200 7.26900 1.000 62.06797 ? 19 HIS B N 1 +ATOM 3040 C CA . HIS B 2 19 ? -12.47600 -5.83600 7.15300 1.000 67.86866 ? 19 HIS B CA 1 +ATOM 3041 C C . HIS B 2 19 ? -12.89700 -5.53100 5.72500 1.000 66.79485 ? 19 HIS B C 1 +ATOM 3042 O O . HIS B 2 19 ? -13.67900 -4.59700 5.51700 1.000 73.39301 ? 19 HIS B O 1 +ATOM 3043 C CB . HIS B 2 19 ? -11.71200 -4.64100 7.73600 1.000 67.35018 ? 19 HIS B CB 1 +ATOM 3044 C CG . HIS B 2 19 ? -11.24000 -4.85900 9.14200 1.000 73.77463 ? 19 HIS B CG 1 +ATOM 3045 N ND1 . HIS B 2 19 ? -11.81100 -5.79000 9.98400 1.000 75.88015 ? 19 HIS B ND1 1 +ATOM 3046 C CD2 . HIS B 2 19 ? -10.24400 -4.27500 9.85100 1.000 77.75406 ? 19 HIS B CD2 1 +ATOM 3047 C CE1 . HIS B 2 19 ? -11.18900 -5.76900 11.15100 1.000 76.20914 ? 19 HIS B CE1 1 +ATOM 3048 N NE2 . HIS B 2 19 ? -10.23500 -4.85600 11.09600 1.000 76.16966 ? 19 HIS B NE2 1 +ATOM 3049 H H . HIS B 2 19 ? -10.81900 -6.90400 7.19600 1.000 74.50000 ? 19 HIS B H 1 +ATOM 3050 H HA . HIS B 2 19 ? -13.28800 -5.95400 7.67100 1.000 81.45000 ? 19 HIS B HA 1 +ATOM 3051 H HB2 . HIS B 2 19 ? -10.93300 -4.46900 7.18400 1.000 80.83000 ? 19 HIS B HB2 1 +ATOM 3052 H HB3 . HIS B 2 19 ? -12.29600 -3.86700 7.73500 1.000 80.83000 ? 19 HIS B HB3 1 +ATOM 3053 H HD2 . HIS B 2 19 ? -9.67200 -3.60500 9.55000 1.000 93.31000 ? 19 HIS B HD2 1 +ATOM 3054 H HE1 . HIS B 2 19 ? -11.39000 -6.30400 11.88400 1.000 91.46000 ? 19 HIS B HE1 1 +ATOM 3055 H HE2 . HIS B 2 19 ? -9.69600 -4.65800 11.73600 1.000 91.42000 ? 19 HIS B HE2 1 +ATOM 3056 N N . ALA B 2 20 ? -12.41900 -6.29300 4.74700 1.000 65.92106 ? 20 ALA B N 1 +ATOM 3057 C CA . ALA B 2 20 ? -12.78800 -6.06900 3.35800 1.000 66.82907 ? 20 ALA B CA 1 +ATOM 3058 C C . ALA B 2 20 ? -14.18200 -6.61100 3.06900 1.000 74.52999 ? 20 ALA B C 1 +ATOM 3059 O O . ALA B 2 20 ? -14.55000 -7.69800 3.51800 1.000 79.19107 ? 20 ALA B O 1 +ATOM 3060 C CB . ALA B 2 20 ? -11.77900 -6.73200 2.41700 1.000 64.09453 ? 20 ALA B CB 1 +ATOM 3061 H H . ALA B 2 20 ? -11.87500 -6.94900 4.86400 1.000 79.12000 ? 20 ALA B H 1 +ATOM 3062 H HA . ALA B 2 20 ? -12.79000 -5.11400 3.18600 1.000 80.21000 ? 20 ALA B HA 1 +ATOM 3063 H HB1 . ALA B 2 20 ? -12.06900 -6.60200 1.50100 1.000 76.93000 ? 20 ALA B HB1 1 +ATOM 3064 H HB2 . ALA B 2 20 ? -10.90900 -6.32500 2.55000 1.000 76.93000 ? 20 ALA B HB2 1 +ATOM 3065 H HB3 . ALA B 2 20 ? -11.73500 -7.68000 2.61900 1.000 76.93000 ? 20 ALA B HB3 1 +ATOM 3066 N N . GLU B 2 21 ? -14.95500 -5.84400 2.31200 1.000 84.56803 ? 21 GLU B N 1 +ATOM 3067 C CA . GLU B 2 21 ? -16.24600 -6.30500 1.81900 1.000 98.72763 ? 21 GLU B CA 1 +ATOM 3068 C C . GLU B 2 21 ? -16.14700 -6.91900 0.43100 1.000 98.90923 ? 21 GLU B C 1 +ATOM 3069 O O . GLU B 2 21 ? -16.86100 -7.88700 0.13700 1.000 98.26178 ? 21 GLU B O 1 +ATOM 3070 C CB . GLU B 2 21 ? -17.24100 -5.13700 1.81100 1.000 105.53897 ? 21 GLU B CB 1 +ATOM 3071 C CG . GLU B 2 21 ? -17.49300 -4.55300 3.19400 1.000 104.33093 ? 21 GLU B CG 1 +ATOM 3072 C CD . GLU B 2 21 ? -18.83700 -3.86400 3.30400 1.000 143.54089 ? 21 GLU B CD 1 +ATOM 3073 O OE1 . GLU B 2 21 ? -19.03700 -2.82700 2.63700 1.000 147.86773 ? 21 GLU B OE1 1 +ATOM 3074 O OE2 . GLU B 2 21 ? -19.69900 -4.36900 4.05500 1.000 159.52439 ? 21 GLU B OE2 1 +ATOM 3075 H H . GLU B 2 21 ? -14.75300 -5.04500 2.06700 1.000 101.49000 ? 21 GLU B H 1 +ATOM 3076 H HA . GLU B 2 21 ? -16.59900 -6.98500 2.41500 1.000 118.48000 ? 21 GLU B HA 1 +ATOM 3077 H HB2 . GLU B 2 21 ? -16.89000 -4.43000 1.24700 1.000 126.66000 ? 21 GLU B HB2 1 +ATOM 3078 H HB3 . GLU B 2 21 ? -18.09000 -5.45000 1.46000 1.000 126.66000 ? 21 GLU B HB3 1 +ATOM 3079 H HG2 . GLU B 2 21 ? -17.46800 -5.26900 3.84800 1.000 125.21000 ? 21 GLU B HG2 1 +ATOM 3080 H HG3 . GLU B 2 21 ? -16.80300 -3.90000 3.39100 1.000 125.21000 ? 21 GLU B HG3 1 +ATOM 3081 N N . ASP B 2 22 ? -15.26800 -6.40000 -0.40900 1.000 90.47401 ? 22 ASP B N 1 +ATOM 3082 C CA . ASP B 2 22 ? -15.06300 -6.94100 -1.74700 1.000 91.46360 ? 22 ASP B CA 1 +ATOM 3083 C C . ASP B 2 22 ? -14.31600 -8.26600 -1.67300 1.000 88.90540 ? 22 ASP B C 1 +ATOM 3084 O O . ASP B 2 22 ? -13.19900 -8.30500 -1.14100 1.000 77.89092 ? 22 ASP B O 1 +ATOM 3085 C CB . ASP B 2 22 ? -14.27900 -5.92600 -2.58100 1.000 89.53968 ? 22 ASP B CB 1 +ATOM 3086 C CG . ASP B 2 22 ? -14.03900 -6.38900 -4.00100 1.000 94.01127 ? 22 ASP B CG 1 +ATOM 3087 O OD1 . ASP B 2 22 ? -14.58500 -7.44200 -4.38900 1.000 105.67583 ? 22 ASP B OD1 1 +ATOM 3088 O OD2 . ASP B 2 22 ? -13.29900 -5.69500 -4.73300 1.000 96.96952 ? 22 ASP B OD2 1 +ATOM 3089 H H . ASP B 2 22 ? -14.76800 -5.72400 -0.22900 1.000 108.58000 ? 22 ASP B H 1 +ATOM 3090 H HA . ASP B 2 22 ? -15.91900 -7.10700 -2.17300 1.000 109.77000 ? 22 ASP B HA 1 +ATOM 3091 H HB2 . ASP B 2 22 ? -14.77700 -5.09400 -2.61700 1.000 107.46000 ? 22 ASP B HB2 1 +ATOM 3092 H HB3 . ASP B 2 22 ? -13.41500 -5.77600 -2.16500 1.000 107.46000 ? 22 ASP B HB3 1 +ATOM 3093 N N . PRO B 2 23 ? -14.87800 -9.36700 -2.18700 1.000 80.93865 ? 23 PRO B N 1 +ATOM 3094 C CA . PRO B 2 23 ? -14.13500 -10.64000 -2.16500 1.000 78.82787 ? 23 PRO B CA 1 +ATOM 3095 C C . PRO B 2 23 ? -12.86500 -10.62500 -2.99700 1.000 75.50905 ? 23 PRO B C 1 +ATOM 3096 O O . PRO B 2 23 ? -12.02200 -11.51400 -2.82100 1.000 60.93362 ? 23 PRO B O 1 +ATOM 3097 C CB . PRO B 2 23 ? -15.15000 -11.65700 -2.71300 1.000 83.03890 ? 23 PRO B CB 1 +ATOM 3098 C CG . PRO B 2 23 ? -16.12800 -10.84300 -3.49200 1.000 85.94715 ? 23 PRO B CG 1 +ATOM 3099 C CD . PRO B 2 23 ? -16.23500 -9.53400 -2.74600 1.000 87.25257 ? 23 PRO B CD 1 +ATOM 3100 H HA . PRO B 2 23 ? -13.91300 -10.87200 -1.24900 1.000 94.61000 ? 23 PRO B HA 1 +ATOM 3101 H HB2 . PRO B 2 23 ? -14.69900 -12.29900 -3.28400 1.000 99.66000 ? 23 PRO B HB2 1 +ATOM 3102 H HB3 . PRO B 2 23 ? -15.58700 -12.11600 -1.97800 1.000 99.66000 ? 23 PRO B HB3 1 +ATOM 3103 H HG2 . PRO B 2 23 ? -15.79700 -10.70200 -4.39200 1.000 103.15000 ? 23 PRO B HG2 1 +ATOM 3104 H HG3 . PRO B 2 23 ? -16.98500 -11.29600 -3.52000 1.000 103.15000 ? 23 PRO B HG3 1 +ATOM 3105 H HD2 . PRO B 2 23 ? -16.45400 -8.80700 -3.35000 1.000 104.71000 ? 23 PRO B HD2 1 +ATOM 3106 H HD3 . PRO B 2 23 ? -16.89700 -9.59000 -2.04000 1.000 104.71000 ? 23 PRO B HD3 1 +ATOM 3107 N N . ASP B 2 24 ? -12.70500 -9.65800 -3.90300 1.000 71.60069 ? 24 ASP B N 1 +ATOM 3108 C CA . ASP B 2 24 ? -11.46000 -9.53800 -4.65200 1.000 72.39026 ? 24 ASP B CA 1 +ATOM 3109 C C . ASP B 2 24 ? -10.34200 -8.94400 -3.80600 1.000 65.66314 ? 24 ASP B C 1 +ATOM 3110 O O . ASP B 2 24 ? -9.17100 -9.28700 -4.01000 1.000 61.55475 ? 24 ASP B O 1 +ATOM 3111 C CB . ASP B 2 24 ? -11.68400 -8.69000 -5.90300 1.000 82.04931 ? 24 ASP B CB 1 +ATOM 3112 C CG . ASP B 2 24 ? -12.36800 -9.46400 -7.00300 1.000 87.33152 ? 24 ASP B CG 1 +ATOM 3113 O OD1 . ASP B 2 24 ? -11.74000 -10.39600 -7.55000 1.000 84.77595 ? 24 ASP B OD1 1 +ATOM 3114 O OD2 . ASP B 2 24 ? -13.54100 -9.15900 -7.30100 1.000 96.39840 ? 24 ASP B OD2 1 +ATOM 3115 H H . ASP B 2 24 ? -13.29800 -9.06600 -4.10000 1.000 85.93000 ? 24 ASP B H 1 +ATOM 3116 H HA . ASP B 2 24 ? -11.17800 -10.42100 -4.93800 1.000 86.88000 ? 24 ASP B HA 1 +ATOM 3117 H HB2 . ASP B 2 24 ? -12.24300 -7.93000 -5.67600 1.000 98.47000 ? 24 ASP B HB2 1 +ATOM 3118 H HB3 . ASP B 2 24 ? -10.82700 -8.38300 -6.23700 1.000 98.47000 ? 24 ASP B HB3 1 +ATOM 3119 N N . ALA B 2 25 ? -10.67800 -8.05300 -2.87300 1.000 61.56264 ? 25 ALA B N 1 +ATOM 3120 C CA . ALA B 2 25 ? -9.69600 -7.59300 -1.89800 1.000 65.99739 ? 25 ALA B CA 1 +ATOM 3121 C C . ALA B 2 25 ? -9.31100 -8.71800 -0.94300 1.000 58.09644 ? 25 ALA B C 1 +ATOM 3122 O O . ALA B 2 25 ? -8.14100 -8.85200 -0.55300 1.000 58.98076 ? 25 ALA B O 1 +ATOM 3123 C CB . ALA B 2 25 ? -10.25100 -6.39800 -1.12100 1.000 69.80837 ? 25 ALA B CB 1 +ATOM 3124 H H . ALA B 2 25 ? -11.45900 -7.70300 -2.78500 1.000 73.89000 ? 25 ALA B H 1 +ATOM 3125 H HA . ALA B 2 25 ? -8.89700 -7.30200 -2.36500 1.000 79.21000 ? 25 ALA B HA 1 +ATOM 3126 H HB1 . ALA B 2 25 ? -9.57100 -6.07500 -0.50900 1.000 83.78000 ? 25 ALA B HB1 1 +ATOM 3127 H HB2 . ALA B 2 25 ? -10.49100 -5.69800 -1.74800 1.000 83.78000 ? 25 ALA B HB2 1 +ATOM 3128 H HB3 . ALA B 2 25 ? -11.03600 -6.68100 -0.62500 1.000 83.78000 ? 25 ALA B HB3 1 +ATOM 3129 N N . GLN B 2 26 ? -10.27600 -9.54300 -0.55500 1.000 59.62557 ? 26 GLN B N 1 +ATOM 3130 C CA . GLN B 2 26 ? -9.95800 -10.69000 0.29500 1.000 63.29180 ? 26 GLN B CA 1 +ATOM 3131 C C . GLN B 2 26 ? -9.09900 -11.70600 -0.45000 1.000 58.81758 ? 26 GLN B C 1 +ATOM 3132 O O . GLN B 2 26 ? -8.17000 -12.27700 0.12800 1.000 54.04332 ? 26 GLN B O 1 +ATOM 3133 C CB . GLN B 2 26 ? -11.25100 -11.32400 0.80400 1.000 63.70764 ? 26 GLN B CB 1 +ATOM 3134 C CG . GLN B 2 26 ? -12.12500 -10.33400 1.55900 1.000 70.93745 ? 26 GLN B CG 1 +ATOM 3135 C CD . GLN B 2 26 ? -13.43800 -10.92400 2.02800 1.000 83.78373 ? 26 GLN B CD 1 +ATOM 3136 O OE1 . GLN B 2 26 ? -14.13000 -11.61100 1.27700 1.000 87.07097 ? 26 GLN B OE1 1 +ATOM 3137 N NE2 . GLN B 2 26 ? -13.79300 -10.64900 3.27900 1.000 90.82668 ? 26 GLN B NE2 1 +ATOM 3138 H H . GLN B 2 26 ? -11.10700 -9.46600 -0.76300 1.000 71.56000 ? 26 GLN B H 1 +ATOM 3139 H HA . GLN B 2 26 ? -9.45000 -10.38900 1.06500 1.000 75.96000 ? 26 GLN B HA 1 +ATOM 3140 H HB2 . GLN B 2 26 ? -11.75900 -11.65900 0.04800 1.000 76.46000 ? 26 GLN B HB2 1 +ATOM 3141 H HB3 . GLN B 2 26 ? -11.03200 -12.05300 1.40500 1.000 76.46000 ? 26 GLN B HB3 1 +ATOM 3142 H HG2 . GLN B 2 26 ? -11.64300 -10.02400 2.34200 1.000 85.14000 ? 26 GLN B HG2 1 +ATOM 3143 H HG3 . GLN B 2 26 ? -12.32800 -9.58600 0.97600 1.000 85.14000 ? 26 GLN B HG3 1 +ATOM 3144 H HE21 . GLN B 2 26 ? -13.28600 -10.16100 3.77200 1.000 109.01000 ? 26 GLN B HE21 1 +ATOM 3145 H HE22 . GLN B 2 26 ? -14.53000 -10.96000 3.59400 1.000 109.01000 ? 26 GLN B HE22 1 +ATOM 3146 N N . ARG B 2 27 ? -9.37900 -11.93700 -1.73500 1.000 55.07239 ? 27 ARG B N 1 +ATOM 3147 C CA . ARG B 2 27 ? -8.55000 -12.85900 -2.50100 1.000 56.27254 ? 27 ARG B CA 1 +ATOM 3148 C C . ARG B 2 27 ? -7.12100 -12.34100 -2.60000 1.000 54.78815 ? 27 ARG B C 1 +ATOM 3149 O O . ARG B 2 27 ? -6.16100 -13.09500 -2.40700 1.000 54.06175 ? 27 ARG B O 1 +ATOM 3150 C CB . ARG B 2 27 ? -9.13400 -13.08800 -3.90000 1.000 59.53345 ? 27 ARG B CB 1 +ATOM 3151 C CG . ARG B 2 27 ? -8.30600 -14.04100 -4.75900 1.000 64.52616 ? 27 ARG B CG 1 +ATOM 3152 C CD . ARG B 2 27 ? -8.85300 -14.12800 -6.20000 1.000 67.90551 ? 27 ARG B CD 1 +ATOM 3153 N NE . ARG B 2 27 ? -9.05800 -12.79400 -6.75500 1.000 83.70477 ? 27 ARG B NE 1 +ATOM 3154 C CZ . ARG B 2 27 ? -8.09000 -12.01800 -7.22900 1.000 85.77607 ? 27 ARG B CZ 1 +ATOM 3155 N NH1 . ARG B 2 27 ? -6.83400 -12.43300 -7.28000 1.000 88.87381 ? 27 ARG B NH1 1 +ATOM 3156 N NH2 . ARG B 2 27 ? -8.39100 -10.79500 -7.66000 1.000 84.71805 ? 27 ARG B NH2 1 +ATOM 3157 H H . ARG B 2 27 ? -10.02800 -11.58000 -2.17300 1.000 66.03000 ? 27 ARG B H 1 +ATOM 3158 H HA . ARG B 2 27 ? -8.54300 -13.71500 -2.04400 1.000 67.47000 ? 27 ARG B HA 1 +ATOM 3159 H HB2 . ARG B 2 27 ? -10.02300 -13.46600 -3.81000 1.000 71.38000 ? 27 ARG B HB2 1 +ATOM 3160 H HB3 . ARG B 2 27 ? -9.18100 -12.23700 -4.36300 1.000 71.38000 ? 27 ARG B HB3 1 +ATOM 3161 H HG2 . ARG B 2 27 ? -7.39000 -13.72300 -4.80000 1.000 77.44000 ? 27 ARG B HG2 1 +ATOM 3162 H HG3 . ARG B 2 27 ? -8.33100 -14.92900 -4.37000 1.000 77.44000 ? 27 ARG B HG3 1 +ATOM 3163 H HD2 . ARG B 2 27 ? -8.21800 -14.60100 -6.76000 1.000 81.50000 ? 27 ARG B HD2 1 +ATOM 3164 H HD3 . ARG B 2 27 ? -9.70400 -14.59500 -6.19600 1.000 81.50000 ? 27 ARG B HD3 1 +ATOM 3165 H HE . ARG B 2 27 ? -9.86200 -12.48800 -6.77600 1.000 100.46000 ? 27 ARG B HE 1 +ATOM 3166 H HH11 . ARG B 2 27 ? -6.63000 -13.22100 -7.00200 1.000 106.66000 ? 27 ARG B HH11 1 +ATOM 3167 H HH12 . ARG B 2 27 ? -6.22300 -11.91500 -7.59100 1.000 106.66000 ? 27 ARG B HH12 1 +ATOM 3168 H HH21 . ARG B 2 27 ? -9.20400 -10.51600 -7.62900 1.000 101.67000 ? 27 ARG B HH21 1 +ATOM 3169 H HH22 . ARG B 2 27 ? -7.77300 -10.28300 -7.96900 1.000 101.67000 ? 27 ARG B HH22 1 +ATOM 3170 N N . VAL B 2 28 ? -6.96100 -11.05100 -2.91100 1.000 54.37494 ? 28 VAL B N 1 +ATOM 3171 C CA . VAL B 2 28 ? -5.61800 -10.49600 -3.05200 1.000 53.04057 ? 28 VAL B CA 1 +ATOM 3172 C C . VAL B 2 28 ? -4.85500 -10.62900 -1.74700 1.000 50.05337 ? 28 VAL B C 1 +ATOM 3173 O O . VAL B 2 28 ? -3.67700 -11.01900 -1.72800 1.000 49.22959 ? 28 VAL B O 1 +ATOM 3174 C CB . VAL B 2 28 ? -5.68200 -9.03000 -3.51600 1.000 54.43547 ? 28 VAL B CB 1 +ATOM 3175 C CG1 . VAL B 2 28 ? -4.29700 -8.40000 -3.45600 1.000 55.69352 ? 28 VAL B CG1 1 +ATOM 3176 C CG2 . VAL B 2 28 ? -6.23200 -8.94800 -4.93100 1.000 63.04440 ? 28 VAL B CG2 1 +ATOM 3177 H H . VAL B 2 28 ? -7.60000 -10.49000 -3.04200 1.000 65.19000 ? 28 VAL B H 1 +ATOM 3178 H HA . VAL B 2 28 ? -5.14900 -11.00300 -3.73300 1.000 63.59000 ? 28 VAL B HA 1 +ATOM 3179 H HB . VAL B 2 28 ? -6.27300 -8.53700 -2.92600 1.000 65.34000 ? 28 VAL B HB 1 +ATOM 3180 H HG11 . VAL B 2 28 ? -4.29000 -7.59900 -4.00300 1.000 66.84000 ? 28 VAL B HG11 1 +ATOM 3181 H HG12 . VAL B 2 28 ? -4.09200 -8.17400 -2.53500 1.000 66.84000 ? 28 VAL B HG12 1 +ATOM 3182 H HG13 . VAL B 2 28 ? -3.64600 -9.03600 -3.79300 1.000 66.84000 ? 28 VAL B HG13 1 +ATOM 3183 H HG21 . VAL B 2 28 ? -6.42400 -8.02100 -5.14200 1.000 75.67000 ? 28 VAL B HG21 1 +ATOM 3184 H HG22 . VAL B 2 28 ? -5.57000 -9.29700 -5.54800 1.000 75.67000 ? 28 VAL B HG22 1 +ATOM 3185 H HG23 . VAL B 2 28 ? -7.04400 -9.47500 -4.98500 1.000 75.67000 ? 28 VAL B HG23 1 +ATOM 3186 N N . ALA B 2 29 ? -5.52200 -10.33100 -0.63300 1.000 48.44528 ? 29 ALA B N 1 +ATOM 3187 C CA . ALA B 2 29 ? -4.88000 -10.46800 0.67500 1.000 47.32673 ? 29 ALA B CA 1 +ATOM 3188 C C . ALA B 2 29 ? -4.46600 -11.90800 0.93800 1.000 46.75561 ? 29 ALA B C 1 +ATOM 3189 O O . ALA B 2 29 ? -3.33100 -12.17400 1.35000 1.000 46.64243 ? 29 ALA B O 1 +ATOM 3190 C CB . ALA B 2 29 ? -5.82600 -9.96700 1.77000 1.000 51.30615 ? 29 ALA B CB 1 +ATOM 3191 H H . ALA B 2 29 ? -6.33500 -10.05200 -0.60600 1.000 58.08000 ? 29 ALA B H 1 +ATOM 3192 H HA . ALA B 2 29 ? -4.07900 -9.92100 0.69100 1.000 56.81000 ? 29 ALA B HA 1 +ATOM 3193 H HB1 . ALA B 2 29 ? -5.39200 -10.06700 2.63200 1.000 61.58000 ? 29 ALA B HB1 1 +ATOM 3194 H HB2 . ALA B 2 29 ? -6.03000 -9.03300 1.60800 1.000 61.58000 ? 29 ALA B HB2 1 +ATOM 3195 H HB3 . ALA B 2 29 ? -6.64100 -10.49300 1.74700 1.000 61.58000 ? 29 ALA B HB3 1 +ATOM 3196 N N . ASP B 2 30 ? -5.38000 -12.85800 0.72400 1.000 47.57413 ? 30 ASP B N 1 +ATOM 3197 C CA . ASP B 2 30 ? -5.04300 -14.25800 0.96600 1.000 51.91938 ? 30 ASP B CA 1 +ATOM 3198 C C . ASP B 2 30 ? -3.86100 -14.68500 0.10300 1.000 50.27182 ? 30 ASP B C 1 +ATOM 3199 O O . ASP B 2 30 ? -2.99900 -15.44300 0.54900 1.000 47.63203 ? 30 ASP B O 1 +ATOM 3200 C CB . ASP B 2 30 ? -6.25500 -15.15000 0.70200 1.000 61.09943 ? 30 ASP B CB 1 +ATOM 3201 C CG . ASP B 2 30 ? -6.24900 -16.41800 1.55700 1.000 81.84402 ? 30 ASP B CG 1 +ATOM 3202 O OD1 . ASP B 2 30 ? -5.56300 -16.43900 2.60500 1.000 79.53585 ? 30 ASP B OD1 1 +ATOM 3203 O OD2 . ASP B 2 30 ? -6.93200 -17.39500 1.18200 1.000 88.63168 ? 30 ASP B OD2 1 +ATOM 3204 H H . ASP B 2 30 ? -6.18200 -12.72000 0.44600 1.000 57.03000 ? 30 ASP B H 1 +ATOM 3205 H HA . ASP B 2 30 ? -4.79800 -14.36700 1.89800 1.000 62.31000 ? 30 ASP B HA 1 +ATOM 3206 H HB2 . ASP B 2 30 ? -7.06300 -14.65400 0.90600 1.000 73.33000 ? 30 ASP B HB2 1 +ATOM 3207 H HB3 . ASP B 2 30 ? -6.25500 -15.41600 -0.23000 1.000 73.33000 ? 30 ASP B HB3 1 +ATOM 3208 N N . GLU B 2 31 ? -3.79300 -14.18900 -1.13700 1.000 50.42447 ? 31 GLU B N 1 +ATOM 3209 C CA . GLU B 2 31 ? -2.71300 -14.59200 -2.03600 1.000 53.31692 ? 31 GLU B CA 1 +ATOM 3210 C C . GLU B 2 31 ? -1.36300 -14.08700 -1.54800 1.000 49.04272 ? 31 GLU B C 1 +ATOM 3211 O O . GLU B 2 31 ? -0.36700 -14.81500 -1.60500 1.000 48.85323 ? 31 GLU B O 1 +ATOM 3212 C CB . GLU B 2 31 ? -2.98500 -14.07600 -3.45200 1.000 53.85646 ? 31 GLU B CB 1 +ATOM 3213 C CG . GLU B 2 31 ? -4.06900 -14.85100 -4.15600 1.000 60.74413 ? 31 GLU B CG 1 +ATOM 3214 C CD . GLU B 2 31 ? -4.39900 -14.29000 -5.52400 1.000 73.94571 ? 31 GLU B CD 1 +ATOM 3215 O OE1 . GLU B 2 31 ? -3.81700 -13.24900 -5.90300 1.000 70.94535 ? 31 GLU B OE1 1 +ATOM 3216 O OE2 . GLU B 2 31 ? -5.24400 -14.89300 -6.21200 1.000 73.10613 ? 31 GLU B OE2 1 +ATOM 3217 H H . GLU B 2 31 ? -4.35100 -13.62800 -1.47500 1.000 60.45000 ? 31 GLU B H 1 +ATOM 3218 H HA . GLU B 2 31 ? -2.68300 -15.56100 -2.06200 1.000 63.99000 ? 31 GLU B HA 1 +ATOM 3219 H HB2 . GLU B 2 31 ? -3.26300 -13.14800 -3.40200 1.000 64.57000 ? 31 GLU B HB2 1 +ATOM 3220 H HB3 . GLU B 2 31 ? -2.17300 -14.15100 -3.97700 1.000 64.57000 ? 31 GLU B HB3 1 +ATOM 3221 H HG2 . GLU B 2 31 ? -3.77800 -15.76900 -4.27100 1.000 72.90000 ? 31 GLU B HG2 1 +ATOM 3222 H HG3 . GLU B 2 31 ? -4.87700 -14.82500 -3.61900 1.000 72.90000 ? 31 GLU B HG3 1 +ATOM 3223 N N . LEU B 2 32 ? -1.31000 -12.84400 -1.07200 1.000 47.26093 ? 32 LEU B N 1 +ATOM 3224 C CA . LEU B 2 32 ? -0.05000 -12.31500 -0.55700 1.000 48.07155 ? 32 LEU B CA 1 +ATOM 3225 C C . LEU B 2 32 ? 0.36400 -13.03400 0.71900 1.000 47.23198 ? 32 LEU B C 1 +ATOM 3226 O O . LEU B 2 32 ? 1.55700 -13.27800 0.93600 1.000 47.07407 ? 32 LEU B O 1 +ATOM 3227 C CB . LEU B 2 32 ? -0.17000 -10.81100 -0.32300 1.000 48.49002 ? 32 LEU B CB 1 +ATOM 3228 C CG . LEU B 2 32 ? -0.12000 -9.96200 -1.60400 1.000 55.66983 ? 32 LEU B CG 1 +ATOM 3229 C CD1 . LEU B 2 32 ? -0.66200 -8.55500 -1.34200 1.000 58.59387 ? 32 LEU B CD1 1 +ATOM 3230 C CD2 . LEU B 2 32 ? 1.30900 -9.90400 -2.15800 1.000 62.17061 ? 32 LEU B CD2 1 +ATOM 3231 H H . LEU B 2 32 ? -1.97300 -12.29800 -1.03600 1.000 56.65000 ? 32 LEU B H 1 +ATOM 3232 H HA . LEU B 2 32 ? 0.64600 -12.45600 -1.21700 1.000 57.70000 ? 32 LEU B HA 1 +ATOM 3233 H HB2 . LEU B 2 32 ? -1.01800 -10.63300 0.11400 1.000 58.20000 ? 32 LEU B HB2 1 +ATOM 3234 H HB3 . LEU B 2 32 ? 0.56200 -10.52700 0.24600 1.000 58.20000 ? 32 LEU B HB3 1 +ATOM 3235 H HG . LEU B 2 32 ? -0.68300 -10.37400 -2.27700 1.000 66.81000 ? 32 LEU B HG 1 +ATOM 3236 H HD11 . LEU B 2 32 ? -0.52400 -8.01100 -2.13300 1.000 70.32000 ? 32 LEU B HD11 1 +ATOM 3237 H HD12 . LEU B 2 32 ? -1.60900 -8.61400 -1.14200 1.000 70.32000 ? 32 LEU B HD12 1 +ATOM 3238 H HD13 . LEU B 2 32 ? -0.18800 -8.17000 -0.58800 1.000 70.32000 ? 32 LEU B HD13 1 +ATOM 3239 H HD21 . LEU B 2 32 ? 1.28900 -9.50600 -3.04200 1.000 74.62000 ? 32 LEU B HD21 1 +ATOM 3240 H HD22 . LEU B 2 32 ? 1.85600 -9.36600 -1.56500 1.000 74.62000 ? 32 LEU B HD22 1 +ATOM 3241 H HD23 . LEU B 2 32 ? 1.66400 -10.80500 -2.20900 1.000 74.62000 ? 32 LEU B HD23 1 +ATOM 3242 N N . MET B 2 33 ? -0.60400 -13.39000 1.57300 1.000 42.34718 ? 33 MET B N 1 +ATOM 3243 C CA . MET B 2 33 ? -0.27200 -14.14700 2.78000 1.000 43.69998 ? 33 MET B CA 1 +ATOM 3244 C C . MET B 2 33 ? 0.31800 -15.51300 2.43800 1.000 45.32649 ? 33 MET B C 1 +ATOM 3245 O O . MET B 2 33 ? 1.30000 -15.94400 3.04900 1.000 44.55797 ? 33 MET B O 1 +ATOM 3246 C CB . MET B 2 33 ? -1.51900 -14.30700 3.65900 1.000 41.84975 ? 33 MET B CB 1 +ATOM 3247 C CG . MET B 2 33 ? -2.01300 -12.98900 4.23300 1.000 45.68706 ? 33 MET B CG 1 +ATOM 3248 S SD . MET B 2 33 ? -3.46800 -13.16400 5.28300 1.000 45.83181 ? 33 MET B SD 1 +ATOM 3249 C CE . MET B 2 33 ? -2.71400 -13.78200 6.78200 1.000 45.63968 ? 33 MET B CE 1 +ATOM 3250 H H . MET B 2 33 ? -1.43900 -13.20900 1.47700 1.000 50.76000 ? 33 MET B H 1 +ATOM 3251 H HA . MET B 2 33 ? 0.38600 -13.64300 3.28400 1.000 52.45000 ? 33 MET B HA 1 +ATOM 3252 H HB2 . MET B 2 33 ? -2.23400 -14.68700 3.12500 1.000 50.23000 ? 33 MET B HB2 1 +ATOM 3253 H HB3 . MET B 2 33 ? -1.30900 -14.89600 4.40000 1.000 50.23000 ? 33 MET B HB3 1 +ATOM 3254 H HG2 . MET B 2 33 ? -1.30600 -12.59600 4.76800 1.000 54.84000 ? 33 MET B HG2 1 +ATOM 3255 H HG3 . MET B 2 33 ? -2.24400 -12.39600 3.50100 1.000 54.84000 ? 33 MET B HG3 1 +ATOM 3256 H HE1 . MET B 2 33 ? -3.40500 -13.92000 7.45000 1.000 54.78000 ? 33 MET B HE1 1 +ATOM 3257 H HE2 . MET B 2 33 ? -2.26900 -14.62200 6.58900 1.000 54.78000 ? 33 MET B HE2 1 +ATOM 3258 H HE3 . MET B 2 33 ? -2.06900 -13.13300 7.10300 1.000 54.78000 ? 33 MET B HE3 1 +ATOM 3259 N N . LYS B 2 34 ? -0.26100 -16.20600 1.45700 1.000 44.35005 ? 34 LYS B N 1 +ATOM 3260 C CA . LYS B 2 34 ? 0.27300 -17.50700 1.06800 1.000 50.00073 ? 34 LYS B CA 1 +ATOM 3261 C C . LYS B 2 34 ? 1.71400 -17.39400 0.58000 1.000 47.38726 ? 34 LYS B C 1 +ATOM 3262 O O . LYS B 2 34 ? 2.55000 -18.24800 0.89100 1.000 46.59769 ? 34 LYS B O 1 +ATOM 3263 C CB . LYS B 2 34 ? -0.61100 -18.13400 -0.01000 1.000 57.23318 ? 34 LYS B CB 1 +ATOM 3264 C CG . LYS B 2 34 ? -1.92700 -18.68500 0.52000 1.000 72.61923 ? 34 LYS B CG 1 +ATOM 3265 C CD . LYS B 2 34 ? -2.96300 -18.79600 -0.59800 1.000 96.23522 ? 34 LYS B CD 1 +ATOM 3266 C CE . LYS B 2 34 ? -4.28500 -19.37300 -0.09800 1.000 101.26477 ? 34 LYS B CE 1 +ATOM 3267 N NZ . LYS B 2 34 ? -5.44800 -18.95300 -0.94400 1.000 96.29576 ? 34 LYS B NZ 1 +ATOM 3268 H H . LYS B 2 34 ? -0.94900 -15.95000 1.01000 1.000 53.16000 ? 34 LYS B H 1 +ATOM 3269 H HA . LYS B 2 34 ? 0.26600 -18.09100 1.84200 1.000 60.01000 ? 34 LYS B HA 1 +ATOM 3270 H HB2 . LYS B 2 34 ? -0.82000 -17.45800 -0.67500 1.000 68.69000 ? 34 LYS B HB2 1 +ATOM 3271 H HB3 . LYS B 2 34 ? -0.12800 -18.86700 -0.42300 1.000 68.69000 ? 34 LYS B HB3 1 +ATOM 3272 H HG2 . LYS B 2 34 ? -1.78100 -19.56800 0.89200 1.000 87.15000 ? 34 LYS B HG2 1 +ATOM 3273 H HG3 . LYS B 2 34 ? -2.27400 -18.09000 1.20300 1.000 87.15000 ? 34 LYS B HG3 1 +ATOM 3274 H HD2 . LYS B 2 34 ? -3.13600 -17.91300 -0.96200 1.000 115.49000 ? 34 LYS B HD2 1 +ATOM 3275 H HD3 . LYS B 2 34 ? -2.62100 -19.38000 -1.29300 1.000 115.49000 ? 34 LYS B HD3 1 +ATOM 3276 H HE2 . LYS B 2 34 ? -4.23500 -20.34200 -0.11400 1.000 121.53000 ? 34 LYS B HE2 1 +ATOM 3277 H HE3 . LYS B 2 34 ? -4.44400 -19.06500 0.80800 1.000 121.53000 ? 34 LYS B HE3 1 +ATOM 3278 H HZ1 . LYS B 2 34 ? -6.19800 -19.31600 -0.63200 1.000 115.57000 ? 34 LYS B HZ1 1 +ATOM 3279 H HZ2 . LYS B 2 34 ? -5.52900 -18.06700 -0.93100 1.000 115.57000 ? 34 LYS B HZ2 1 +ATOM 3280 H HZ3 . LYS B 2 34 ? -5.32500 -19.21900 -1.78400 1.000 115.57000 ? 34 LYS B HZ3 1 +ATOM 3281 N N . LYS B 2 35 ? 2.02200 -16.36200 -0.20600 1.000 49.51646 ? 35 LYS B N 1 +ATOM 3282 C CA . LYS B 2 35 ? 3.39400 -16.20900 -0.67800 1.000 51.76410 ? 35 LYS B CA 1 +ATOM 3283 C C . LYS B 2 35 ? 4.33900 -15.96100 0.48300 1.000 51.95886 ? 35 LYS B C 1 +ATOM 3284 O O . LYS B 2 35 ? 5.45800 -16.48300 0.51000 1.000 53.76960 ? 35 LYS B O 1 +ATOM 3285 C CB . LYS B 2 35 ? 3.48600 -15.05800 -1.67900 1.000 54.96448 ? 35 LYS B CB 1 +ATOM 3286 C CG . LYS B 2 35 ? 2.79200 -15.35000 -2.99900 1.000 59.81770 ? 35 LYS B CG 1 +ATOM 3287 C CD . LYS B 2 35 ? 2.35500 -14.04300 -3.65700 1.000 64.72881 ? 35 LYS B CD 1 +ATOM 3288 C CE . LYS B 2 35 ? 2.82100 -13.94700 -5.09300 1.000 80.14119 ? 35 LYS B CE 1 +ATOM 3289 N NZ . LYS B 2 35 ? 2.27600 -12.71000 -5.73800 1.000 90.47664 ? 35 LYS B NZ 1 +ATOM 3290 H H . LYS B 2 35 ? 1.47200 -15.75700 -0.47200 1.000 59.43000 ? 35 LYS B H 1 +ATOM 3291 H HA . LYS B 2 35 ? 3.66000 -17.02500 -1.13000 1.000 62.12000 ? 35 LYS B HA 1 +ATOM 3292 H HB2 . LYS B 2 35 ? 3.07000 -14.27200 -1.29100 1.000 65.97000 ? 35 LYS B HB2 1 +ATOM 3293 H HB3 . LYS B 2 35 ? 4.42100 -14.88000 -1.86700 1.000 65.97000 ? 35 LYS B HB3 1 +ATOM 3294 H HG2 . LYS B 2 35 ? 3.40300 -15.81000 -3.59500 1.000 71.79000 ? 35 LYS B HG2 1 +ATOM 3295 H HG3 . LYS B 2 35 ? 2.00700 -15.89700 -2.84100 1.000 71.79000 ? 35 LYS B HG3 1 +ATOM 3296 H HD2 . LYS B 2 35 ? 1.38600 -13.99000 -3.65000 1.000 77.69000 ? 35 LYS B HD2 1 +ATOM 3297 H HD3 . LYS B 2 35 ? 2.73100 -13.29700 -3.16600 1.000 77.69000 ? 35 LYS B HD3 1 +ATOM 3298 H HE2 . LYS B 2 35 ? 3.79000 -13.90800 -5.11800 1.000 96.18000 ? 35 LYS B HE2 1 +ATOM 3299 H HE3 . LYS B 2 35 ? 2.50800 -14.71900 -5.58900 1.000 96.18000 ? 35 LYS B HE3 1 +ATOM 3300 H HZ1 . LYS B 2 35 ? 2.58700 -12.63700 -6.56800 1.000 108.58000 ? 35 LYS B HZ1 1 +ATOM 3301 H HZ2 . LYS B 2 35 ? 1.38700 -12.74700 -5.76400 1.000 108.58000 ? 35 LYS B HZ2 1 +ATOM 3302 H HZ3 . LYS B 2 35 ? 2.52100 -11.99100 -5.27400 1.000 108.58000 ? 35 LYS B HZ3 1 +ATOM 3303 N N . LEU B 2 36 ? 3.90900 -15.15200 1.44900 1.000 48.12156 ? 36 LEU B N 1 +ATOM 3304 C CA . LEU B 2 36 ? 4.72400 -14.92300 2.63700 1.000 49.89282 ? 36 LEU B CA 1 +ATOM 3305 C C . LEU B 2 36 ? 4.95300 -16.22200 3.38800 1.000 50.11917 ? 36 LEU B C 1 +ATOM 3306 O O . LEU B 2 36 ? 6.08700 -16.54600 3.75100 1.000 52.06151 ? 36 LEU B O 1 +ATOM 3307 C CB . LEU B 2 36 ? 4.04900 -13.90200 3.54700 1.000 43.00252 ? 36 LEU B CB 1 +ATOM 3308 C CG . LEU B 2 36 ? 4.18600 -12.44600 3.11900 1.000 49.51383 ? 36 LEU B CG 1 +ATOM 3309 C CD1 . LEU B 2 36 ? 3.35200 -11.57100 4.03600 1.000 50.61923 ? 36 LEU B CD1 1 +ATOM 3310 C CD2 . LEU B 2 36 ? 5.64100 -12.05000 3.16300 1.000 56.67258 ? 36 LEU B CD2 1 +ATOM 3311 H H . LEU B 2 36 ? 3.16000 -14.72900 1.44000 1.000 57.76000 ? 36 LEU B H 1 +ATOM 3312 H HA . LEU B 2 36 ? 5.58300 -14.56600 2.36200 1.000 59.88000 ? 36 LEU B HA 1 +ATOM 3313 H HB2 . LEU B 2 36 ? 3.10100 -14.10500 3.58100 1.000 51.61000 ? 36 LEU B HB2 1 +ATOM 3314 H HB3 . LEU B 2 36 ? 4.43800 -13.98100 4.43200 1.000 51.61000 ? 36 LEU B HB3 1 +ATOM 3315 H HG . LEU B 2 36 ? 3.86600 -12.32000 2.21200 1.000 59.43000 ? 36 LEU B HG 1 +ATOM 3316 H HD11 . LEU B 2 36 ? 3.42600 -10.64800 3.74700 1.000 60.75000 ? 36 LEU B HD11 1 +ATOM 3317 H HD12 . LEU B 2 36 ? 2.42600 -11.85800 3.99100 1.000 60.75000 ? 36 LEU B HD12 1 +ATOM 3318 H HD13 . LEU B 2 36 ? 3.68100 -11.66100 4.94400 1.000 60.75000 ? 36 LEU B HD13 1 +ATOM 3319 H HD21 . LEU B 2 36 ? 5.70900 -11.12500 3.44800 1.000 68.02000 ? 36 LEU B HD21 1 +ATOM 3320 H HD22 . LEU B 2 36 ? 6.10600 -12.62400 3.79200 1.000 68.02000 ? 36 LEU B HD22 1 +ATOM 3321 H HD23 . LEU B 2 36 ? 6.02400 -12.15200 2.27800 1.000 68.02000 ? 36 LEU B HD23 1 +ATOM 3322 N N . PHE B 2 37 ? 3.87700 -16.98000 3.63900 1.000 43.90263 ? 37 PHE B N 1 +ATOM 3323 C CA . PHE B 2 37 ? 4.02700 -18.25700 4.33400 1.000 46.00815 ? 37 PHE B CA 1 +ATOM 3324 C C . PHE B 2 37 ? 5.00900 -19.16700 3.60000 1.000 50.79820 ? 37 PHE B C 1 +ATOM 3325 O O . PHE B 2 37 ? 5.89500 -19.77200 4.21500 1.000 55.53034 ? 37 PHE B O 1 +ATOM 3326 C CB . PHE B 2 37 ? 2.67400 -18.95300 4.47100 1.000 46.12132 ? 37 PHE B CB 1 +ATOM 3327 C CG . PHE B 2 37 ? 1.72700 -18.27500 5.42100 1.000 43.01305 ? 37 PHE B CG 1 +ATOM 3328 C CD1 . PHE B 2 37 ? 2.16600 -17.76200 6.62600 1.000 43.05253 ? 37 PHE B CD1 1 +ATOM 3329 C CD2 . PHE B 2 37 ? 0.38200 -18.16500 5.10700 1.000 43.96317 ? 37 PHE B CD2 1 +ATOM 3330 C CE1 . PHE B 2 37 ? 1.29400 -17.16600 7.49000 1.000 36.07538 ? 37 PHE B CE1 1 +ATOM 3331 C CE2 . PHE B 2 37 ? -0.50600 -17.53400 5.98200 1.000 44.18424 ? 37 PHE B CE2 1 +ATOM 3332 C CZ . PHE B 2 37 ? -0.03600 -17.05300 7.17400 1.000 41.34706 ? 37 PHE B CZ 1 +ATOM 3333 H H . PHE B 2 37 ? 3.06900 -16.77900 3.42200 1.000 52.69000 ? 37 PHE B H 1 +ATOM 3334 H HA . PHE B 2 37 ? 4.37100 -18.08100 5.22400 1.000 55.22000 ? 37 PHE B HA 1 +ATOM 3335 H HB2 . PHE B 2 37 ? 2.24800 -18.97900 3.60000 1.000 55.36000 ? 37 PHE B HB2 1 +ATOM 3336 H HB3 . PHE B 2 37 ? 2.82000 -19.85500 4.79600 1.000 55.36000 ? 37 PHE B HB3 1 +ATOM 3337 H HD1 . PHE B 2 37 ? 3.06600 -17.82500 6.85200 1.000 51.68000 ? 37 PHE B HD1 1 +ATOM 3338 H HD2 . PHE B 2 37 ? 0.06600 -18.51500 4.30600 1.000 52.77000 ? 37 PHE B HD2 1 +ATOM 3339 H HE1 . PHE B 2 37 ? 1.60400 -16.83200 8.30100 1.000 43.30000 ? 37 PHE B HE1 1 +ATOM 3340 H HE2 . PHE B 2 37 ? -1.40400 -17.44100 5.75800 1.000 53.03000 ? 37 PHE B HE2 1 +ATOM 3341 H HZ . PHE B 2 37 ? -0.62100 -16.64900 7.77300 1.000 49.63000 ? 37 PHE B HZ 1 +ATOM 3342 N N . ASP B 2 38 ? 4.85700 -19.28200 2.27900 1.000 52.93529 ? 38 ASP B N 1 +ATOM 3343 C CA . ASP B 2 38 ? 5.72100 -20.18900 1.51300 1.000 60.51252 ? 38 ASP B CA 1 +ATOM 3344 C C . ASP B 2 38 ? 7.17200 -19.72400 1.53800 1.000 60.82308 ? 38 ASP B C 1 +ATOM 3345 O O . ASP B 2 38 ? 8.08900 -20.53700 1.68200 1.000 65.79210 ? 38 ASP B O 1 +ATOM 3346 C CB . ASP B 2 38 ? 5.23300 -20.29500 0.07100 1.000 63.47603 ? 38 ASP B CB 1 +ATOM 3347 C CG . ASP B 2 38 ? 4.00900 -21.17000 -0.06700 1.000 74.52209 ? 38 ASP B CG 1 +ATOM 3348 O OD1 . ASP B 2 38 ? 3.42600 -21.54600 0.97100 1.000 80.34384 ? 38 ASP B OD1 1 +ATOM 3349 O OD2 . ASP B 2 38 ? 3.63000 -21.48900 -1.21600 1.000 83.22314 ? 38 ASP B OD2 1 +ATOM 3350 H H . ASP B 2 38 ? 4.27400 -18.85800 1.81000 1.000 63.53000 ? 38 ASP B H 1 +ATOM 3351 H HA . ASP B 2 38 ? 5.67200 -21.07000 1.91600 1.000 72.63000 ? 38 ASP B HA 1 +ATOM 3352 H HB2 . ASP B 2 38 ? 5.00600 -19.40900 -0.25300 1.000 76.18000 ? 38 ASP B HB2 1 +ATOM 3353 H HB3 . ASP B 2 38 ? 5.93800 -20.67700 -0.47500 1.000 76.18000 ? 38 ASP B HB3 1 +ATOM 3354 N N . ALA B 2 39 ? 7.39800 -18.41900 1.38900 1.000 58.94391 ? 39 ALA B N 1 +ATOM 3355 C CA . ALA B 2 39 ? 8.76200 -17.90800 1.41800 1.000 63.26811 ? 39 ALA B CA 1 +ATOM 3356 C C . ALA B 2 39 ? 9.37200 -18.06300 2.80500 1.000 61.37578 ? 39 ALA B C 1 +ATOM 3357 O O . ALA B 2 39 ? 10.54700 -18.42600 2.93300 1.000 68.47926 ? 39 ALA B O 1 +ATOM 3358 C CB . ALA B 2 39 ? 8.78400 -16.44000 0.97400 1.000 63.39444 ? 39 ALA B CB 1 +ATOM 3359 H H . ALA B 2 39 ? 6.79100 -17.82200 1.27100 1.000 70.74000 ? 39 ALA B H 1 +ATOM 3360 H HA . ALA B 2 39 ? 9.30500 -18.41300 0.79200 1.000 75.93000 ? 39 ALA B HA 1 +ATOM 3361 H HB1 . ALA B 2 39 ? 9.70100 -16.12400 0.97100 1.000 76.09000 ? 39 ALA B HB1 1 +ATOM 3362 H HB2 . ALA B 2 39 ? 8.40900 -16.37400 0.08100 1.000 76.09000 ? 39 ALA B HB2 1 +ATOM 3363 H HB3 . ALA B 2 39 ? 8.25400 -15.91400 1.59400 1.000 76.09000 ? 39 ALA B HB3 1 +ATOM 3364 N N . ALA B 2 40 ? 8.58600 -17.81300 3.85400 1.000 60.38882 ? 40 ALA B N 1 +ATOM 3365 C CA . ALA B 2 40 ? 9.12200 -17.90600 5.20700 1.000 64.31561 ? 40 ALA B CA 1 +ATOM 3366 C C . ALA B 2 40 ? 9.35400 -19.35500 5.62100 1.000 64.10769 ? 40 ALA B C 1 +ATOM 3367 O O . ALA B 2 40 ? 10.24400 -19.62900 6.43600 1.000 65.23940 ? 40 ALA B O 1 +ATOM 3368 C CB . ALA B 2 40 ? 8.19200 -17.21100 6.19000 1.000 61.75477 ? 40 ALA B CB 1 +ATOM 3369 H H . ALA B 2 40 ? 7.75700 -17.59100 3.80900 1.000 72.48000 ? 40 ALA B H 1 +ATOM 3370 H HA . ALA B 2 40 ? 9.97700 -17.44900 5.23600 1.000 77.19000 ? 40 ALA B HA 1 +ATOM 3371 H HB1 . ALA B 2 40 ? 8.55800 -17.29500 7.08500 1.000 74.12000 ? 40 ALA B HB1 1 +ATOM 3372 H HB2 . ALA B 2 40 ? 8.12100 -16.27400 5.94900 1.000 74.12000 ? 40 ALA B HB2 1 +ATOM 3373 H HB3 . ALA B 2 40 ? 7.31900 -17.63100 6.14900 1.000 74.12000 ? 40 ALA B HB3 1 +ATOM 3374 N N . HIS B 2 41 ? 8.57400 -20.29000 5.07600 1.000 61.02311 ? 41 HIS B N 1 +ATOM 3375 C CA . HIS B 2 41 ? 8.78900 -21.70600 5.36100 1.000 68.66876 ? 41 HIS B CA 1 +ATOM 3376 C C . HIS B 2 41 ? 10.11600 -22.20500 4.79600 1.000 70.47950 ? 41 HIS B C 1 +ATOM 3377 O O . HIS B 2 41 ? 10.65800 -23.19100 5.30300 1.000 73.92202 ? 41 HIS B O 1 +ATOM 3378 C CB . HIS B 2 41 ? 7.64000 -22.53200 4.78400 1.000 72.27972 ? 41 HIS B CB 1 +ATOM 3379 C CG . HIS B 2 41 ? 7.46000 -23.86900 5.43600 1.000 96.45893 ? 41 HIS B CG 1 +ATOM 3380 N ND1 . HIS B 2 41 ? 6.37600 -24.68300 5.17600 1.000 103.48609 ? 41 HIS B ND1 1 +ATOM 3381 C CD2 . HIS B 2 41 ? 8.22000 -24.53400 6.33900 1.000 104.62833 ? 41 HIS B CD2 1 +ATOM 3382 C CE1 . HIS B 2 41 ? 6.47600 -25.79000 5.89200 1.000 106.54962 ? 41 HIS B CE1 1 +ATOM 3383 N NE2 . HIS B 2 41 ? 7.58700 -25.72600 6.60400 1.000 111.16859 ? 41 HIS B NE2 1 +ATOM 3384 H H . HIS B 2 41 ? 7.91900 -20.13100 4.54300 1.000 73.24000 ? 41 HIS B H 1 +ATOM 3385 H HA . HIS B 2 41 ? 8.80100 -21.83600 6.32200 1.000 82.41000 ? 41 HIS B HA 1 +ATOM 3386 H HB2 . HIS B 2 41 ? 6.81400 -22.03600 4.89600 1.000 86.75000 ? 41 HIS B HB2 1 +ATOM 3387 H HB3 . HIS B 2 41 ? 7.81000 -22.68500 3.84100 1.000 86.75000 ? 41 HIS B HB3 1 +ATOM 3388 H HD2 . HIS B 2 41 ? 9.02100 -24.24000 6.70900 1.000 125.56000 ? 41 HIS B HD2 1 +ATOM 3389 H HE1 . HIS B 2 41 ? 5.86900 -26.49400 5.89400 1.000 127.87000 ? 41 HIS B HE1 1 +ATOM 3390 H HE2 . HIS B 2 41 ? 7.86900 -26.33100 7.14600 1.000 133.41000 ? 41 HIS B HE2 1 +ATOM 3391 N N . ARG B 2 42 ? 10.64100 -21.54900 3.76300 1.000 64.27086 ? 42 ARG B N 1 +ATOM 3392 C CA . ARG B 2 42 ? 11.92400 -21.90000 3.17500 1.000 68.88194 ? 42 ARG B CA 1 +ATOM 3393 C C . ARG B 2 42 ? 13.06000 -21.00800 3.65600 1.000 68.31082 ? 42 ARG B C 1 +ATOM 3394 O O . ARG B 2 42 ? 14.19300 -21.17100 3.19500 1.000 71.48752 ? 42 ARG B O 1 +ATOM 3395 C CB . ARG B 2 42 ? 11.84200 -21.82000 1.64700 1.000 69.12145 ? 42 ARG B CB 1 +ATOM 3396 C CG . ARG B 2 42 ? 10.85000 -22.78200 1.02700 1.000 80.27541 ? 42 ARG B CG 1 +ATOM 3397 C CD . ARG B 2 42 ? 10.85900 -22.68000 -0.48900 1.000 85.27601 ? 42 ARG B CD 1 +ATOM 3398 N NE . ARG B 2 42 ? 9.68500 -21.99000 -1.01300 1.000 97.14323 ? 42 ARG B NE 1 +ATOM 3399 C CZ . ARG B 2 42 ? 8.59600 -22.59800 -1.46900 1.000 106.23642 ? 42 ARG B CZ 1 +ATOM 3400 N NH1 . ARG B 2 42 ? 8.48800 -23.92000 -1.46600 1.000 107.61553 ? 42 ARG B NH1 1 +ATOM 3401 N NH2 . ARG B 2 42 ? 7.59100 -21.86200 -1.94100 1.000 94.20340 ? 42 ARG B NH2 1 +ATOM 3402 H H . ARG B 2 42 ? 10.26100 -20.88100 3.37800 1.000 77.14000 ? 42 ARG B H 1 +ATOM 3403 H HA . ARG B 2 42 ? 12.13300 -22.81500 3.42300 1.000 82.67000 ? 42 ARG B HA 1 +ATOM 3404 H HB2 . ARG B 2 42 ? 11.57500 -20.92200 1.39800 1.000 82.96000 ? 42 ARG B HB2 1 +ATOM 3405 H HB3 . ARG B 2 42 ? 12.71600 -22.02200 1.27900 1.000 82.96000 ? 42 ARG B HB3 1 +ATOM 3406 H HG2 . ARG B 2 42 ? 11.08300 -23.69000 1.27500 1.000 96.34000 ? 42 ARG B HG2 1 +ATOM 3407 H HG3 . ARG B 2 42 ? 9.95700 -22.57100 1.34300 1.000 96.34000 ? 42 ARG B HG3 1 +ATOM 3408 H HD2 . ARG B 2 42 ? 11.64700 -22.18700 -0.76800 1.000 102.35000 ? 42 ARG B HD2 1 +ATOM 3409 H HD3 . ARG B 2 42 ? 10.87600 -23.57300 -0.86600 1.000 102.35000 ? 42 ARG B HD3 1 +ATOM 3410 H HE . ARG B 2 42 ? 9.70000 -21.13000 -1.02900 1.000 116.58000 ? 42 ARG B HE 1 +ATOM 3411 H HH11 . ARG B 2 42 ? 9.13300 -24.40300 -1.16500 1.000 129.15000 ? 42 ARG B HH11 1 +ATOM 3412 H HH12 . ARG B 2 42 ? 7.77400 -24.29300 -1.76600 1.000 129.15000 ? 42 ARG B HH12 1 +ATOM 3413 H HH21 . ARG B 2 42 ? 7.65300 -21.00500 -1.94800 1.000 113.06000 ? 42 ARG B HH21 1 +ATOM 3414 H HH22 . ARG B 2 42 ? 6.88100 -22.24500 -2.23800 1.000 113.06000 ? 42 ARG B HH22 1 +ATOM 3415 N N . ASN B 2 43 ? 12.78500 -20.07100 4.56100 1.000 68.47926 ? 43 ASN B N 1 +ATOM 3416 C CA . ASN B 2 43 ? 13.76500 -19.06600 4.96300 1.000 71.72439 ? 43 ASN B CA 1 +ATOM 3417 C C . ASN B 2 43 ? 14.35600 -18.36900 3.73700 1.000 66.06318 ? 43 ASN B C 1 +ATOM 3418 O O . ASN B 2 43 ? 15.56200 -18.12900 3.65300 1.000 72.02179 ? 43 ASN B O 1 +ATOM 3419 C CB . ASN B 2 43 ? 14.87000 -19.68500 5.82000 1.000 68.42926 ? 43 ASN B CB 1 +ATOM 3420 C CG . ASN B 2 43 ? 15.53900 -18.67100 6.72200 1.000 71.36382 ? 43 ASN B CG 1 +ATOM 3421 O OD1 . ASN B 2 43 ? 14.89900 -17.73400 7.20100 1.000 76.49075 ? 43 ASN B OD1 1 +ATOM 3422 N ND2 . ASN B 2 43 ? 16.83000 -18.85300 6.96400 1.000 67.60811 ? 43 ASN B ND2 1 +ATOM 3423 H H . ASN B 2 43 ? 12.02800 -19.99500 4.96100 1.000 82.19000 ? 43 ASN B H 1 +ATOM 3424 H HA . ASN B 2 43 ? 13.31400 -18.39500 5.50100 1.000 86.08000 ? 43 ASN B HA 1 +ATOM 3425 H HB2 . ASN B 2 43 ? 14.48700 -20.37900 6.38000 1.000 82.13000 ? 43 ASN B HB2 1 +ATOM 3426 H HB3 . ASN B 2 43 ? 15.54800 -20.06400 5.23900 1.000 82.13000 ? 43 ASN B HB3 1 +ATOM 3427 H HD21 . ASN B 2 43 ? 17.25400 -18.30300 7.47100 1.000 81.14000 ? 43 ASN B HD21 1 +ATOM 3428 H HD22 . ASN B 2 43 ? 17.24300 -19.52200 6.61400 1.000 81.14000 ? 43 ASN B HD22 1 +ATOM 3429 N N . ASP B 2 44 ? 13.49200 -18.06200 2.76700 1.000 63.91819 ? 44 ASP B N 1 +ATOM 3430 C CA . ASP B 2 44 ? 13.88200 -17.30600 1.57200 1.000 66.79222 ? 44 ASP B CA 1 +ATOM 3431 C C . ASP B 2 44 ? 13.68900 -15.82200 1.87300 1.000 67.89235 ? 44 ASP B C 1 +ATOM 3432 O O . ASP B 2 44 ? 12.69500 -15.19600 1.49800 1.000 64.49984 ? 44 ASP B O 1 +ATOM 3433 C CB . ASP B 2 44 ? 13.06900 -17.74800 0.36200 1.000 64.60248 ? 44 ASP B CB 1 +ATOM 3434 C CG . ASP B 2 44 ? 13.48000 -17.03100 -0.91600 1.000 70.37160 ? 44 ASP B CG 1 +ATOM 3435 O OD1 . ASP B 2 44 ? 14.34300 -16.12800 -0.85200 1.000 70.39528 ? 44 ASP B OD1 1 +ATOM 3436 O OD2 . ASP B 2 44 ? 12.94200 -17.37800 -1.98900 1.000 68.56875 ? 44 ASP B OD2 1 +ATOM 3437 H H . ASP B 2 44 ? 12.66100 -18.28300 2.77700 1.000 76.71000 ? 44 ASP B H 1 +ATOM 3438 H HA . ASP B 2 44 ? 14.81800 -17.46900 1.37900 1.000 80.16000 ? 44 ASP B HA 1 +ATOM 3439 H HB2 . ASP B 2 44 ? 13.19700 -18.70000 0.22600 1.000 77.53000 ? 44 ASP B HB2 1 +ATOM 3440 H HB3 . ASP B 2 44 ? 12.13200 -17.55900 0.52400 1.000 77.53000 ? 44 ASP B HB3 1 +ATOM 3441 N N . LYS B 2 45 ? 14.66800 -15.25500 2.57600 1.000 67.44756 ? 45 LYS B N 1 +ATOM 3442 C CA . LYS B 2 45 ? 14.52200 -13.88500 3.05000 1.000 73.64041 ? 45 LYS B CA 1 +ATOM 3443 C C . LYS B 2 45 ? 14.32700 -12.90900 1.89900 1.000 72.49817 ? 45 LYS B C 1 +ATOM 3444 O O . LYS B 2 45 ? 13.65200 -11.88600 2.06400 1.000 64.20770 ? 45 LYS B O 1 +ATOM 3445 C CB . LYS B 2 45 ? 15.73600 -13.50100 3.89200 1.000 80.68336 ? 45 LYS B CB 1 +ATOM 3446 C CG . LYS B 2 45 ? 16.04300 -14.48800 5.00900 1.000 75.99332 ? 45 LYS B CG 1 +ATOM 3447 C CD . LYS B 2 45 ? 16.34700 -13.76400 6.31200 1.000 87.91317 ? 45 LYS B CD 1 +ATOM 3448 C CE . LYS B 2 45 ? 17.07800 -14.66000 7.30400 1.000 98.36706 ? 45 LYS B CE 1 +ATOM 3449 N NZ . LYS B 2 45 ? 17.62100 -13.87700 8.45600 1.000 101.60429 ? 45 LYS B NZ 1 +ATOM 3450 H H . LYS B 2 45 ? 15.41000 -15.63500 2.78700 1.000 80.95000 ? 45 LYS B H 1 +ATOM 3451 H HA . LYS B 2 45 ? 13.73500 -13.82600 3.61500 1.000 88.38000 ? 45 LYS B HA 1 +ATOM 3452 H HB2 . LYS B 2 45 ? 16.51400 -13.45500 3.31500 1.000 96.83000 ? 45 LYS B HB2 1 +ATOM 3453 H HB3 . LYS B 2 45 ? 15.57300 -12.63500 4.29800 1.000 96.83000 ? 45 LYS B HB3 1 +ATOM 3454 H HG2 . LYS B 2 45 ? 15.27500 -15.06400 5.15100 1.000 91.20000 ? 45 LYS B HG2 1 +ATOM 3455 H HG3 . LYS B 2 45 ? 16.81700 -15.02000 4.76600 1.000 91.20000 ? 45 LYS B HG3 1 +ATOM 3456 H HD2 . LYS B 2 45 ? 16.91000 -12.99600 6.12700 1.000 105.51000 ? 45 LYS B HD2 1 +ATOM 3457 H HD3 . LYS B 2 45 ? 15.51600 -13.47700 6.72000 1.000 105.51000 ? 45 LYS B HD3 1 +ATOM 3458 H HE2 . LYS B 2 45 ? 16.46200 -15.32400 7.65100 1.000 118.05000 ? 45 LYS B HE2 1 +ATOM 3459 H HE3 . LYS B 2 45 ? 17.82000 -15.09600 6.85600 1.000 118.05000 ? 45 LYS B HE3 1 +ATOM 3460 H HZ1 . LYS B 2 45 ? 18.05800 -14.41800 9.01200 1.000 121.93000 ? 45 LYS B HZ1 1 +ATOM 3461 H HZ2 . LYS B 2 45 ? 18.18100 -13.25100 8.16200 1.000 121.93000 ? 45 LYS B HZ2 1 +ATOM 3462 H HZ3 . LYS B 2 45 ? 16.95500 -13.48500 8.89800 1.000 121.93000 ? 45 LYS B HZ3 1 +ATOM 3463 N N . ASP B 2 46 ? 14.88400 -13.21800 0.72500 1.000 73.82990 ? 46 ASP B N 1 +ATOM 3464 C CA . ASP B 2 46 ? 14.77100 -12.31600 -0.41400 1.000 75.46431 ? 46 ASP B CA 1 +ATOM 3465 C C . ASP B 2 46 ? 13.33000 -12.19800 -0.88900 1.000 67.85287 ? 46 ASP B C 1 +ATOM 3466 O O . ASP B 2 46 ? 12.82300 -11.09000 -1.09900 1.000 65.46574 ? 46 ASP B O 1 +ATOM 3467 C CB . ASP B 2 46 ? 15.66200 -12.80400 -1.56100 1.000 87.93949 ? 46 ASP B CB 1 +ATOM 3468 C CG . ASP B 2 46 ? 17.13600 -12.65700 -1.25800 1.000 109.41838 ? 46 ASP B CG 1 +ATOM 3469 O OD1 . ASP B 2 46 ? 17.47800 -11.99900 -0.25000 1.000 96.64580 ? 46 ASP B OD1 1 +ATOM 3470 O OD2 . ASP B 2 46 ? 17.95500 -13.20000 -2.03300 1.000 123.89643 ? 46 ASP B OD2 1 +ATOM 3471 H H . ASP B 2 46 ? 15.32800 -13.93700 0.56700 1.000 88.61000 ? 46 ASP B H 1 +ATOM 3472 H HA . ASP B 2 46 ? 15.07500 -11.43700 -0.13800 1.000 90.57000 ? 46 ASP B HA 1 +ATOM 3473 H HB2 . ASP B 2 46 ? 15.48000 -13.74200 -1.72500 1.000 105.54000 ? 46 ASP B HB2 1 +ATOM 3474 H HB3 . ASP B 2 46 ? 15.46500 -12.28400 -2.35700 1.000 105.54000 ? 46 ASP B HB3 1 +ATOM 3475 N N . LYS B 2 47 ? 12.66200 -13.33200 -1.09800 1.000 65.27888 ? 47 LYS B N 1 +ATOM 3476 C CA . LYS B 2 47 ? 11.27900 -13.26800 -1.54800 1.000 67.00014 ? 47 LYS B CA 1 +ATOM 3477 C C . LYS B 2 47 ? 10.39800 -12.64400 -0.47800 1.000 57.68586 ? 47 LYS B C 1 +ATOM 3478 O O . LYS B 2 47 ? 9.51300 -11.84300 -0.78800 1.000 58.49649 ? 47 LYS B O 1 +ATOM 3479 C CB . LYS B 2 47 ? 10.76000 -14.65600 -1.91900 1.000 65.85263 ? 47 LYS B CB 1 +ATOM 3480 C CG . LYS B 2 47 ? 9.57400 -14.59600 -2.88200 1.000 71.38487 ? 47 LYS B CG 1 +ATOM 3481 C CD . LYS B 2 47 ? 9.11700 -15.97800 -3.30900 1.000 95.10614 ? 47 LYS B CD 1 +ATOM 3482 C CE . LYS B 2 47 ? 8.46300 -15.93500 -4.69000 1.000 96.07731 ? 47 LYS B CE 1 +ATOM 3483 N NZ . LYS B 2 47 ? 7.65800 -17.15900 -4.97600 1.000 102.87023 ? 47 LYS B NZ 1 +ATOM 3484 H H . LYS B 2 47 ? 12.97800 -14.12400 -0.98900 1.000 78.35000 ? 47 LYS B H 1 +ATOM 3485 H HA . LYS B 2 47 ? 11.24000 -12.72100 -2.34800 1.000 80.41000 ? 47 LYS B HA 1 +ATOM 3486 H HB2 . LYS B 2 47 ? 11.47200 -15.15700 -2.34700 1.000 79.03000 ? 47 LYS B HB2 1 +ATOM 3487 H HB3 . LYS B 2 47 ? 10.47100 -15.11200 -1.11300 1.000 79.03000 ? 47 LYS B HB3 1 +ATOM 3488 H HG2 . LYS B 2 47 ? 8.83000 -14.15300 -2.44600 1.000 85.67000 ? 47 LYS B HG2 1 +ATOM 3489 H HG3 . LYS B 2 47 ? 9.83300 -14.10400 -3.67700 1.000 85.67000 ? 47 LYS B HG3 1 +ATOM 3490 H HD2 . LYS B 2 47 ? 9.88200 -16.57400 -3.35000 1.000 114.14000 ? 47 LYS B HD2 1 +ATOM 3491 H HD3 . LYS B 2 47 ? 8.46800 -16.31600 -2.67200 1.000 114.14000 ? 47 LYS B HD3 1 +ATOM 3492 H HE2 . LYS B 2 47 ? 7.87200 -15.16800 -4.73800 1.000 115.31000 ? 47 LYS B HE2 1 +ATOM 3493 H HE3 . LYS B 2 47 ? 9.15400 -15.86400 -5.36700 1.000 115.31000 ? 47 LYS B HE3 1 +ATOM 3494 H HZ1 . LYS B 2 47 ? 7.29500 -17.10100 -5.78700 1.000 123.45000 ? 47 LYS B HZ1 1 +ATOM 3495 H HZ2 . LYS B 2 47 ? 8.17800 -17.88000 -4.94300 1.000 123.45000 ? 47 LYS B HZ2 1 +ATOM 3496 H HZ3 . LYS B 2 47 ? 7.00800 -17.24300 -4.37400 1.000 123.45000 ? 47 LYS B HZ3 1 +ATOM 3497 N N . VAL B 2 48 ? 10.63600 -12.99000 0.79100 1.000 58.05433 ? 48 VAL B N 1 +ATOM 3498 C CA . VAL B 2 48 ? 9.86400 -12.38800 1.87400 1.000 55.73826 ? 48 VAL B CA 1 +ATOM 3499 C C . VAL B 2 48 ? 9.96200 -10.86400 1.81000 1.000 53.51957 ? 48 VAL B C 1 +ATOM 3500 O O . VAL B 2 48 ? 8.95500 -10.15500 1.88300 1.000 50.02968 ? 48 VAL B O 1 +ATOM 3501 C CB . VAL B 2 48 ? 10.33300 -12.92800 3.23400 1.000 57.42794 ? 48 VAL B CB 1 +ATOM 3502 C CG1 . VAL B 2 48 ? 9.84800 -12.02200 4.35500 1.000 57.15422 ? 48 VAL B CG1 1 +ATOM 3503 C CG2 . VAL B 2 48 ? 9.84200 -14.36600 3.44100 1.000 60.41251 ? 48 VAL B CG2 1 +ATOM 3504 H H . VAL B 2 48 ? 11.22800 -13.56000 1.04400 1.000 69.68000 ? 48 VAL B H 1 +ATOM 3505 H HA . VAL B 2 48 ? 8.93200 -12.63400 1.76200 1.000 66.90000 ? 48 VAL B HA 1 +ATOM 3506 H HB . VAL B 2 48 ? 11.30300 -12.93900 3.25400 1.000 68.93000 ? 48 VAL B HB 1 +ATOM 3507 H HG11 . VAL B 2 48 ? 9.90200 -12.50400 5.19500 1.000 68.60000 ? 48 VAL B HG11 1 +ATOM 3508 H HG12 . VAL B 2 48 ? 10.41100 -11.23300 4.38900 1.000 68.60000 ? 48 VAL B HG12 1 +ATOM 3509 H HG13 . VAL B 2 48 ? 8.93000 -11.76600 4.17900 1.000 68.60000 ? 48 VAL B HG13 1 +ATOM 3510 H HG21 . VAL B 2 48 ? 10.09600 -14.66300 4.32900 1.000 72.51000 ? 48 VAL B HG21 1 +ATOM 3511 H HG22 . VAL B 2 48 ? 8.87600 -14.38700 3.35000 1.000 72.51000 ? 48 VAL B HG22 1 +ATOM 3512 H HG23 . VAL B 2 48 ? 10.24900 -14.93800 2.77200 1.000 72.51000 ? 48 VAL B HG23 1 +ATOM 3513 N N . LYS B 2 49 ? 11.17900 -10.33700 1.66700 1.000 56.51993 ? 49 LYS B N 1 +ATOM 3514 C CA . LYS B 2 49 ? 11.34600 -8.88900 1.60200 1.000 56.70943 ? 49 LYS B CA 1 +ATOM 3515 C C . LYS B 2 49 ? 10.59400 -8.29500 0.41800 1.000 55.60930 ? 49 LYS B C 1 +ATOM 3516 O O . LYS B 2 49 ? 9.99200 -7.22300 0.53100 1.000 54.60128 ? 49 LYS B O 1 +ATOM 3517 C CB . LYS B 2 49 ? 12.83500 -8.53900 1.53400 1.000 61.19418 ? 49 LYS B CB 1 +ATOM 3518 C CG . LYS B 2 49 ? 13.55600 -8.71700 2.86800 1.000 67.43440 ? 49 LYS B CG 1 +ATOM 3519 C CD . LYS B 2 49 ? 15.07000 -8.74000 2.70900 1.000 81.65453 ? 49 LYS B CD 1 +ATOM 3520 C CE . LYS B 2 49 ? 15.76200 -9.25100 3.97900 1.000 92.48740 ? 49 LYS B CE 1 +ATOM 3521 N NZ . LYS B 2 49 ? 15.87900 -8.22200 5.05200 1.000 91.35043 ? 49 LYS B NZ 1 +ATOM 3522 H H . LYS B 2 49 ? 11.90900 -10.78700 1.60700 1.000 67.84000 ? 49 LYS B H 1 +ATOM 3523 H HA . LYS B 2 49 ? 10.98300 -8.49400 2.41000 1.000 68.06000 ? 49 LYS B HA 1 +ATOM 3524 H HB2 . LYS B 2 49 ? 13.26400 -9.11600 0.88300 1.000 73.45000 ? 49 LYS B HB2 1 +ATOM 3525 H HB3 . LYS B 2 49 ? 12.92700 -7.61100 1.26600 1.000 73.45000 ? 49 LYS B HB3 1 +ATOM 3526 H HG2 . LYS B 2 49 ? 13.32500 -7.98000 3.45500 1.000 80.93000 ? 49 LYS B HG2 1 +ATOM 3527 H HG3 . LYS B 2 49 ? 13.28200 -9.55800 3.26800 1.000 80.93000 ? 49 LYS B HG3 1 +ATOM 3528 H HD2 . LYS B 2 49 ? 15.30700 -9.32800 1.97600 1.000 98.00000 ? 49 LYS B HD2 1 +ATOM 3529 H HD3 . LYS B 2 49 ? 15.38700 -7.84100 2.53000 1.000 98.00000 ? 49 LYS B HD3 1 +ATOM 3530 H HE2 . LYS B 2 49 ? 15.25100 -9.99400 4.33600 1.000 111.00000 ? 49 LYS B HE2 1 +ATOM 3531 H HE3 . LYS B 2 49 ? 16.65800 -9.54300 3.75000 1.000 111.00000 ? 49 LYS B HE3 1 +ATOM 3532 H HZ1 . LYS B 2 49 ? 16.27800 -8.57100 5.76600 1.000 109.63000 ? 49 LYS B HZ1 1 +ATOM 3533 H HZ2 . LYS B 2 49 ? 16.36000 -7.53200 4.76100 1.000 109.63000 ? 49 LYS B HZ2 1 +ATOM 3534 H HZ3 . LYS B 2 49 ? 15.07000 -7.93200 5.28600 1.000 109.63000 ? 49 LYS B HZ3 1 +ATOM 3535 N N . LYS B 2 50 ? 10.61100 -8.98000 -0.72500 1.000 59.15709 ? 50 LYS B N 1 +ATOM 3536 C CA . LYS B 2 50 ? 9.89100 -8.49200 -1.89200 1.000 60.45988 ? 50 LYS B CA 1 +ATOM 3537 C C . LYS B 2 50 ? 8.38700 -8.50800 -1.66500 1.000 57.49637 ? 50 LYS B C 1 +ATOM 3538 O O . LYS B 2 50 ? 7.68400 -7.55400 -2.02600 1.000 57.87799 ? 50 LYS B O 1 +ATOM 3539 C CB . LYS B 2 50 ? 10.24200 -9.34200 -3.11200 1.000 69.22409 ? 50 LYS B CB 1 +ATOM 3540 C CG . LYS B 2 50 ? 11.62100 -9.07800 -3.70100 1.000 92.82955 ? 50 LYS B CG 1 +ATOM 3541 C CD . LYS B 2 50 ? 11.91300 -10.05000 -4.84000 1.000 91.16883 ? 50 LYS B CD 1 +ATOM 3542 C CE . LYS B 2 50 ? 13.04000 -9.55200 -5.73300 1.000 88.26321 ? 50 LYS B CE 1 +ATOM 3543 N NZ . LYS B 2 50 ? 14.25500 -10.40300 -5.63500 1.000 86.13401 ? 50 LYS B NZ 1 +ATOM 3544 H H . LYS B 2 50 ? 11.02800 -9.72200 -0.84700 1.000 71.00000 ? 50 LYS B H 1 +ATOM 3545 H HA . LYS B 2 50 ? 10.16400 -7.57800 -2.06300 1.000 72.56000 ? 50 LYS B HA 1 +ATOM 3546 H HB2 . LYS B 2 50 ? 10.20900 -10.27700 -2.85500 1.000 83.08000 ? 50 LYS B HB2 1 +ATOM 3547 H HB3 . LYS B 2 50 ? 9.58900 -9.16700 -3.80700 1.000 83.08000 ? 50 LYS B HB3 1 +ATOM 3548 H HG2 . LYS B 2 50 ? 11.65600 -8.17300 -4.05100 1.000 111.41000 ? 50 LYS B HG2 1 +ATOM 3549 H HG3 . LYS B 2 50 ? 12.29600 -9.19500 -3.01500 1.000 111.41000 ? 50 LYS B HG3 1 +ATOM 3550 H HD2 . LYS B 2 50 ? 12.17500 -10.90700 -4.47000 1.000 109.42000 ? 50 LYS B HD2 1 +ATOM 3551 H HD3 . LYS B 2 50 ? 11.11700 -10.15300 -5.38500 1.000 109.42000 ? 50 LYS B HD3 1 +ATOM 3552 H HE2 . LYS B 2 50 ? 12.74200 -9.55700 -6.65600 1.000 105.93000 ? 50 LYS B HE2 1 +ATOM 3553 H HE3 . LYS B 2 50 ? 13.28100 -8.65000 -5.46800 1.000 105.93000 ? 50 LYS B HE3 1 +ATOM 3554 H HZ1 . LYS B 2 50 ? 14.71400 -10.19600 -4.90100 1.000 103.37000 ? 50 LYS B HZ1 1 +ATOM 3555 H HZ2 . LYS B 2 50 ? 14.02300 -11.26200 -5.59700 1.000 103.37000 ? 50 LYS B HZ2 1 +ATOM 3556 H HZ3 . LYS B 2 50 ? 14.77500 -10.27500 -6.34600 1.000 103.37000 ? 50 LYS B HZ3 1 +ATOM 3557 N N . VAL B 2 51 ? 7.87300 -9.58800 -1.08300 1.000 50.59817 ? 51 VAL B N 1 +ATOM 3558 C CA . VAL B 2 51 ? 6.43200 -9.70500 -0.88500 1.000 54.28282 ? 51 VAL B CA 1 +ATOM 3559 C C . VAL B 2 51 ? 5.94400 -8.68700 0.14100 1.000 51.75884 ? 51 VAL B C 1 +ATOM 3560 O O . VAL B 2 51 ? 4.85600 -8.11400 -0.00200 1.000 49.38750 ? 51 VAL B O 1 +ATOM 3561 C CB . VAL B 2 51 ? 6.07000 -11.14300 -0.46300 1.000 53.42746 ? 51 VAL B CB 1 +ATOM 3562 C CG1 . VAL B 2 51 ? 4.59300 -11.21600 -0.08800 1.000 55.24873 ? 51 VAL B CG1 1 +ATOM 3563 C CG2 . VAL B 2 51 ? 6.40300 -12.12500 -1.56600 1.000 56.48572 ? 51 VAL B CG2 1 +ATOM 3564 H H . VAL B 2 51 ? 8.33000 -10.25800 -0.79700 1.000 60.66000 ? 51 VAL B H 1 +ATOM 3565 H HA . VAL B 2 51 ? 5.99200 -9.51400 -1.72800 1.000 65.15000 ? 51 VAL B HA 1 +ATOM 3566 H HB . VAL B 2 51 ? 6.59500 -11.39200 0.31400 1.000 64.12000 ? 51 VAL B HB 1 +ATOM 3567 H HG11 . VAL B 2 51 ? 4.33300 -12.14800 -0.01100 1.000 66.31000 ? 51 VAL B HG11 1 +ATOM 3568 H HG12 . VAL B 2 51 ? 4.46000 -10.76500 0.76100 1.000 66.31000 ? 51 VAL B HG12 1 +ATOM 3569 H HG13 . VAL B 2 51 ? 4.07000 -10.78200 -0.77900 1.000 66.31000 ? 51 VAL B HG13 1 +ATOM 3570 H HG21 . VAL B 2 51 ? 6.30000 -13.02800 -1.22600 1.000 67.79000 ? 51 VAL B HG21 1 +ATOM 3571 H HG22 . VAL B 2 51 ? 5.79900 -11.98100 -2.31000 1.000 67.79000 ? 51 VAL B HG22 1 +ATOM 3572 H HG23 . VAL B 2 51 ? 7.31900 -11.98200 -1.85000 1.000 67.79000 ? 51 VAL B HG23 1 +ATOM 3573 N N . VAL B 2 52 ? 6.72900 -8.45600 1.19700 1.000 49.41645 ? 52 VAL B N 1 +ATOM 3574 C CA . VAL B 2 52 ? 6.34500 -7.44700 2.18100 1.000 45.94498 ? 52 VAL B CA 1 +ATOM 3575 C C . VAL B 2 52 ? 6.14900 -6.09800 1.50100 1.000 56.55941 ? 52 VAL B C 1 +ATOM 3576 O O . VAL B 2 52 ? 5.18400 -5.37400 1.77300 1.000 57.37793 ? 52 VAL B O 1 +ATOM 3577 C CB . VAL B 2 52 ? 7.39700 -7.35600 3.29900 1.000 50.10338 ? 52 VAL B CB 1 +ATOM 3578 C CG1 . VAL B 2 52 ? 7.23600 -6.04500 4.06000 1.000 52.24574 ? 52 VAL B CG1 1 +ATOM 3579 C CG2 . VAL B 2 52 ? 7.29500 -8.55800 4.23200 1.000 49.87703 ? 52 VAL B CG2 1 +ATOM 3580 H H . VAL B 2 52 ? 7.46900 -8.86100 1.36200 1.000 59.31000 ? 52 VAL B H 1 +ATOM 3581 H HA . VAL B 2 52 ? 5.50300 -7.71500 2.58100 1.000 55.15000 ? 52 VAL B HA 1 +ATOM 3582 H HB . VAL B 2 52 ? 8.28500 -7.36800 2.90900 1.000 60.14000 ? 52 VAL B HB 1 +ATOM 3583 H HG11 . VAL B 2 52 ? 7.68800 -6.11900 4.91500 1.000 62.71000 ? 52 VAL B HG11 1 +ATOM 3584 H HG12 . VAL B 2 52 ? 7.62800 -5.32700 3.53900 1.000 62.71000 ? 52 VAL B HG12 1 +ATOM 3585 H HG13 . VAL B 2 52 ? 6.29100 -5.87500 4.19900 1.000 62.71000 ? 52 VAL B HG13 1 +ATOM 3586 H HG21 . VAL B 2 52 ? 7.99600 -8.49900 4.90000 1.000 59.87000 ? 52 VAL B HG21 1 +ATOM 3587 H HG22 . VAL B 2 52 ? 6.42600 -8.55100 4.66300 1.000 59.87000 ? 52 VAL B HG22 1 +ATOM 3588 H HG23 . VAL B 2 52 ? 7.40000 -9.37000 3.71300 1.000 59.87000 ? 52 VAL B HG23 1 +ATOM 3589 N N . GLU B 2 53 ? 7.07500 -5.73000 0.61700 1.000 60.48357 ? 53 GLU B N 1 +ATOM 3590 C CA . GLU B 2 53 ? 6.97900 -4.43300 -0.04100 1.000 64.51300 ? 53 GLU B CA 1 +ATOM 3591 C C . GLU B 2 53 ? 5.76500 -4.37800 -0.95500 1.000 64.64986 ? 53 GLU B C 1 +ATOM 3592 O O . GLU B 2 53 ? 5.07200 -3.36000 -1.00700 1.000 63.71290 ? 53 GLU B O 1 +ATOM 3593 C CB . GLU B 2 53 ? 8.26500 -4.15100 -0.81100 1.000 69.64256 ? 53 GLU B CB 1 +ATOM 3594 C CG . GLU B 2 53 ? 9.47400 -4.00100 0.09600 1.000 77.81196 ? 53 GLU B CG 1 +ATOM 3595 C CD . GLU B 2 53 ? 10.77700 -3.89800 -0.67200 1.000 108.14455 ? 53 GLU B CD 1 +ATOM 3596 O OE1 . GLU B 2 53 ? 10.82300 -3.15900 -1.68000 1.000 101.32004 ? 53 GLU B OE1 1 +ATOM 3597 O OE2 . GLU B 2 53 ? 11.75400 -4.56600 -0.26800 1.000 104.87047 ? 53 GLU B OE2 1 +ATOM 3598 H H . GLU B 2 53 ? 7.75400 -6.20400 0.38500 1.000 72.59000 ? 53 GLU B H 1 +ATOM 3599 H HA . GLU B 2 53 ? 6.87800 -3.73600 0.62600 1.000 77.43000 ? 53 GLU B HA 1 +ATOM 3600 H HB2 . GLU B 2 53 ? 8.43600 -4.88600 -1.42000 1.000 83.58000 ? 53 GLU B HB2 1 +ATOM 3601 H HB3 . GLU B 2 53 ? 8.16000 -3.32500 -1.30900 1.000 83.58000 ? 53 GLU B HB3 1 +ATOM 3602 H HG2 . GLU B 2 53 ? 9.37400 -3.19500 0.62600 1.000 93.39000 ? 53 GLU B HG2 1 +ATOM 3603 H HG3 . GLU B 2 53 ? 9.53000 -4.77500 0.67800 1.000 93.39000 ? 53 GLU B HG3 1 +ATOM 3604 N N . GLU B 2 54 ? 5.47200 -5.47400 -1.66400 1.000 59.57556 ? 54 GLU B N 1 +ATOM 3605 C CA . GLU B 2 54 ? 4.25900 -5.49600 -2.46900 1.000 61.87321 ? 54 GLU B CA 1 +ATOM 3606 C C . GLU B 2 54 ? 3.02200 -5.39100 -1.58600 1.000 65.72104 ? 54 GLU B C 1 +ATOM 3607 O O . GLU B 2 54 ? 2.07300 -4.67800 -1.92200 1.000 70.98746 ? 54 GLU B O 1 +ATOM 3608 C CB . GLU B 2 54 ? 4.20600 -6.76000 -3.32400 1.000 66.82117 ? 54 GLU B CB 1 +ATOM 3609 C CG . GLU B 2 54 ? 2.83800 -6.99300 -3.95300 1.000 79.53848 ? 54 GLU B CG 1 +ATOM 3610 C CD . GLU B 2 54 ? 2.89400 -7.76300 -5.25700 1.000 96.49315 ? 54 GLU B CD 1 +ATOM 3611 O OE1 . GLU B 2 54 ? 3.76000 -8.65400 -5.39300 1.000 96.45630 ? 54 GLU B OE1 1 +ATOM 3612 O OE2 . GLU B 2 54 ? 2.06900 -7.46700 -6.15100 1.000 98.07229 ? 54 GLU B OE2 1 +ATOM 3613 H H . GLU B 2 54 ? 5.94500 -6.19100 -1.69200 1.000 71.50000 ? 54 GLU B H 1 +ATOM 3614 H HA . GLU B 2 54 ? 4.27100 -4.73700 -3.07200 1.000 74.26000 ? 54 GLU B HA 1 +ATOM 3615 H HB2 . GLU B 2 54 ? 4.85600 -6.68400 -4.04000 1.000 80.20000 ? 54 GLU B HB2 1 +ATOM 3616 H HB3 . GLU B 2 54 ? 4.41400 -7.52700 -2.76700 1.000 80.20000 ? 54 GLU B HB3 1 +ATOM 3617 H HG2 . GLU B 2 54 ? 2.29000 -7.49900 -3.33300 1.000 95.46000 ? 54 GLU B HG2 1 +ATOM 3618 H HG3 . GLU B 2 54 ? 2.42600 -6.13300 -4.13300 1.000 95.46000 ? 54 GLU B HG3 1 +ATOM 3619 N N . ALA B 2 55 ? 3.02100 -6.07000 -0.43400 1.000 62.21272 ? 55 ALA B N 1 +ATOM 3620 C CA . ALA B 2 55 ? 1.85600 -6.01900 0.44400 1.000 59.04655 ? 55 ALA B CA 1 +ATOM 3621 C C . ALA B 2 55 ? 1.58500 -4.59400 0.91800 1.000 65.44469 ? 55 ALA B C 1 +ATOM 3622 O O . ALA B 2 55 ? 0.43800 -4.13800 0.91700 1.000 66.67378 ? 55 ALA B O 1 +ATOM 3623 C CB . ALA B 2 55 ? 2.04700 -6.95100 1.64300 1.000 54.85395 ? 55 ALA B CB 1 +ATOM 3624 H H . ALA B 2 55 ? 3.66900 -6.55700 -0.14700 1.000 74.67000 ? 55 ALA B H 1 +ATOM 3625 H HA . ALA B 2 55 ? 1.08400 -6.32800 -0.05600 1.000 70.87000 ? 55 ALA B HA 1 +ATOM 3626 H HB1 . ALA B 2 55 ? 1.24900 -6.92400 2.19400 1.000 65.84000 ? 55 ALA B HB1 1 +ATOM 3627 H HB2 . ALA B 2 55 ? 2.19500 -7.85400 1.32100 1.000 65.84000 ? 55 ALA B HB2 1 +ATOM 3628 H HB3 . ALA B 2 55 ? 2.81400 -6.65200 2.15600 1.000 65.84000 ? 55 ALA B HB3 1 +ATOM 3629 N N . LYS B 2 56 ? 2.63200 -3.87800 1.33900 1.000 59.95719 ? 56 LYS B N 1 +ATOM 3630 C CA . LYS B 2 56 ? 2.44800 -2.50600 1.80000 1.000 69.67414 ? 56 LYS B CA 1 +ATOM 3631 C C . LYS B 2 56 ? 1.77300 -1.65100 0.73200 1.000 75.59591 ? 56 LYS B C 1 +ATOM 3632 O O . LYS B 2 56 ? 0.93500 -0.79900 1.04700 1.000 83.51001 ? 56 LYS B O 1 +ATOM 3633 C CB . LYS B 2 56 ? 3.79900 -1.89700 2.19800 1.000 69.64782 ? 56 LYS B CB 1 +ATOM 3634 C CG . LYS B 2 56 ? 4.40200 -2.51200 3.45700 1.000 71.12169 ? 56 LYS B CG 1 +ATOM 3635 C CD . LYS B 2 56 ? 5.92400 -2.41900 3.45700 1.000 72.79294 ? 56 LYS B CD 1 +ATOM 3636 C CE . LYS B 2 56 ? 6.45900 -1.64100 4.65200 1.000 87.95265 ? 56 LYS B CE 1 +ATOM 3637 N NZ . LYS B 2 56 ? 7.55400 -2.38300 5.35300 1.000 90.08975 ? 56 LYS B NZ 1 +ATOM 3638 H H . LYS B 2 56 ? 3.44400 -4.16000 1.36700 1.000 71.96000 ? 56 LYS B H 1 +ATOM 3639 H HA . LYS B 2 56 ? 1.87800 -2.51600 2.58500 1.000 83.62000 ? 56 LYS B HA 1 +ATOM 3640 H HB2 . LYS B 2 56 ? 4.42800 -2.03200 1.47200 1.000 83.59000 ? 56 LYS B HB2 1 +ATOM 3641 H HB3 . LYS B 2 56 ? 3.67800 -0.94900 2.36000 1.000 83.59000 ? 56 LYS B HB3 1 +ATOM 3642 H HG2 . LYS B 2 56 ? 4.06800 -2.03900 4.23500 1.000 85.36000 ? 56 LYS B HG2 1 +ATOM 3643 H HG3 . LYS B 2 56 ? 4.15400 -3.44800 3.50600 1.000 85.36000 ? 56 LYS B HG3 1 +ATOM 3644 H HD2 . LYS B 2 56 ? 6.29700 -3.31400 3.48900 1.000 87.36000 ? 56 LYS B HD2 1 +ATOM 3645 H HD3 . LYS B 2 56 ? 6.21500 -1.96800 2.64900 1.000 87.36000 ? 56 LYS B HD3 1 +ATOM 3646 H HE2 . LYS B 2 56 ? 6.81400 -0.79100 4.34800 1.000 105.56000 ? 56 LYS B HE2 1 +ATOM 3647 H HE3 . LYS B 2 56 ? 5.73900 -1.49200 5.28500 1.000 105.56000 ? 56 LYS B HE3 1 +ATOM 3648 H HZ1 . LYS B 2 56 ? 7.86400 -1.89900 6.03200 1.000 108.12000 ? 56 LYS B HZ1 1 +ATOM 3649 H HZ2 . LYS B 2 56 ? 7.24500 -3.15700 5.66600 1.000 108.12000 ? 56 LYS B HZ2 1 +ATOM 3650 H HZ3 . LYS B 2 56 ? 8.22200 -2.54600 4.78700 1.000 108.12000 ? 56 LYS B HZ3 1 +ATOM 3651 N N . LYS B 2 57 ? 2.11700 -1.87200 -0.53600 1.000 73.78516 ? 57 LYS B N 1 +ATOM 3652 C CA . LYS B 2 57 ? 1.54300 -1.06900 -1.61100 1.000 80.60177 ? 57 LYS B CA 1 +ATOM 3653 C C . LYS B 2 57 ? 0.07400 -1.41100 -1.83700 1.000 87.10781 ? 57 LYS B C 1 +ATOM 3654 O O . LYS B 2 57 ? -0.77100 -0.51600 -1.95500 1.000 92.33475 ? 57 LYS B O 1 +ATOM 3655 C CB . LYS B 2 57 ? 2.34300 -1.27400 -2.89700 1.000 76.99081 ? 57 LYS B CB 1 +ATOM 3656 C CG . LYS B 2 57 ? 3.76000 -0.73200 -2.84000 1.000 88.46850 ? 57 LYS B CG 1 +ATOM 3657 C CD . LYS B 2 57 ? 4.49100 -0.98800 -4.14900 1.000 107.69449 ? 57 LYS B CD 1 +ATOM 3658 C CE . LYS B 2 57 ? 5.89800 -0.41400 -4.12200 1.000 132.91067 ? 57 LYS B CE 1 +ATOM 3659 N NZ . LYS B 2 57 ? 6.62300 -0.67900 -5.39700 1.000 139.52199 ? 57 LYS B NZ 1 +ATOM 3660 H H . LYS B 2 57 ? 2.67400 -2.47300 -0.79700 1.000 88.55000 ? 57 LYS B H 1 +ATOM 3661 H HA . LYS B 2 57 ? 1.59700 -0.13300 -1.36300 1.000 96.74000 ? 57 LYS B HA 1 +ATOM 3662 H HB2 . LYS B 2 57 ? 2.39800 -2.22500 -3.07900 1.000 92.40000 ? 57 LYS B HB2 1 +ATOM 3663 H HB3 . LYS B 2 57 ? 1.88400 -0.82300 -3.62300 1.000 92.40000 ? 57 LYS B HB3 1 +ATOM 3664 H HG2 . LYS B 2 57 ? 3.73500 0.22500 -2.68400 1.000 106.18000 ? 57 LYS B HG2 1 +ATOM 3665 H HG3 . LYS B 2 57 ? 4.24600 -1.17200 -2.12600 1.000 106.18000 ? 57 LYS B HG3 1 +ATOM 3666 H HD2 . LYS B 2 57 ? 4.55400 -1.94400 -4.30000 1.000 129.24000 ? 57 LYS B HD2 1 +ATOM 3667 H HD3 . LYS B 2 57 ? 4.00400 -0.56900 -4.87600 1.000 129.24000 ? 57 LYS B HD3 1 +ATOM 3668 H HE2 . LYS B 2 57 ? 5.85100 0.54600 -3.99300 1.000 159.50000 ? 57 LYS B HE2 1 +ATOM 3669 H HE3 . LYS B 2 57 ? 6.39700 -0.82200 -3.39800 1.000 159.50000 ? 57 LYS B HE3 1 +ATOM 3670 H HZ1 . LYS B 2 57 ? 7.44100 -0.33200 -5.36000 1.000 167.44000 ? 57 LYS B HZ1 1 +ATOM 3671 H HZ2 . LYS B 2 57 ? 6.68700 -1.55600 -5.53400 1.000 167.44000 ? 57 LYS B HZ2 1 +ATOM 3672 H HZ3 . LYS B 2 57 ? 6.18400 -0.31200 -6.07900 1.000 167.44000 ? 57 LYS B HZ3 1 +ATOM 3673 N N . VAL B 2 58 ? -0.25000 -2.70700 -1.90100 1.000 90.23977 ? 58 VAL B N 1 +ATOM 3674 C CA . VAL B 2 58 ? -1.62700 -3.11900 -2.16200 1.000 96.09836 ? 58 VAL B CA 1 +ATOM 3675 C C . VAL B 2 58 ? -2.55100 -2.67200 -1.03800 1.000 96.58526 ? 58 VAL B C 1 +ATOM 3676 O O . VAL B 2 58 ? -3.76000 -2.50300 -1.24500 1.000 102.63862 ? 58 VAL B O 1 +ATOM 3677 C CB . VAL B 2 58 ? -1.69300 -4.64800 -2.36800 1.000 91.17935 ? 58 VAL B CB 1 +ATOM 3678 C CG1 . VAL B 2 58 ? -3.08600 -5.07000 -2.80700 1.000 94.61398 ? 58 VAL B CG1 1 +ATOM 3679 C CG2 . VAL B 2 58 ? -0.64900 -5.10100 -3.38300 1.000 89.46599 ? 58 VAL B CG2 1 +ATOM 3680 H H . VAL B 2 58 ? 0.30300 -3.35700 -1.79900 1.000 108.30000 ? 58 VAL B H 1 +ATOM 3681 H HA . VAL B 2 58 ? -1.92400 -2.68900 -2.97900 1.000 115.33000 ? 58 VAL B HA 1 +ATOM 3682 H HB . VAL B 2 58 ? -1.49900 -5.08300 -1.52300 1.000 109.43000 ? 58 VAL B HB 1 +ATOM 3683 H HG11 . VAL B 2 58 ? -3.09300 -6.02800 -2.95800 1.000 113.55000 ? 58 VAL B HG11 1 +ATOM 3684 H HG12 . VAL B 2 58 ? -3.72000 -4.84200 -2.10900 1.000 113.55000 ? 58 VAL B HG12 1 +ATOM 3685 H HG13 . VAL B 2 58 ? -3.31400 -4.60400 -3.62600 1.000 113.55000 ? 58 VAL B HG13 1 +ATOM 3686 H HG21 . VAL B 2 58 ? -1.03200 -5.79500 -3.94200 1.000 107.37000 ? 58 VAL B HG21 1 +ATOM 3687 H HG22 . VAL B 2 58 ? -0.39000 -4.34200 -3.92900 1.000 107.37000 ? 58 VAL B HG22 1 +ATOM 3688 H HG23 . VAL B 2 58 ? 0.12400 -5.44600 -2.90900 1.000 107.37000 ? 58 VAL B HG23 1 +ATOM 3689 N N . VAL B 2 59 ? -2.00900 -2.48100 0.16500 1.000 96.83003 ? 59 VAL B N 1 +ATOM 3690 C CA . VAL B 2 59 ? -2.80400 -1.95500 1.26900 1.000 100.15411 ? 59 VAL B CA 1 +ATOM 3691 C C . VAL B 2 59 ? -2.97600 -0.44300 1.14600 1.000 106.02587 ? 59 VAL B C 1 +ATOM 3692 O O . VAL B 2 59 ? -3.99300 0.10700 1.58300 1.000 116.29815 ? 59 VAL B O 1 +ATOM 3693 C CB . VAL B 2 59 ? -2.15800 -2.34200 2.61300 1.000 91.81101 ? 59 VAL B CB 1 +ATOM 3694 C CG1 . VAL B 2 59 ? -2.55100 -1.35300 3.70100 1.000 94.74031 ? 59 VAL B CG1 1 +ATOM 3695 C CG2 . VAL B 2 59 ? -2.54100 -3.77500 2.99400 1.000 84.53908 ? 59 VAL B CG2 1 +ATOM 3696 H H . VAL B 2 59 ? -1.18900 -2.64700 0.36600 1.000 116.21000 ? 59 VAL B H 1 +ATOM 3697 H HA . VAL B 2 59 ? -3.68800 -2.35400 1.23400 1.000 120.20000 ? 59 VAL B HA 1 +ATOM 3698 H HB . VAL B 2 59 ? -1.19300 -2.30800 2.52400 1.000 110.19000 ? 59 VAL B HB 1 +ATOM 3699 H HG11 . VAL B 2 59 ? -2.43700 -1.77400 4.56700 1.000 113.70000 ? 59 VAL B HG11 1 +ATOM 3700 H HG12 . VAL B 2 59 ? -1.98300 -0.56900 3.63600 1.000 113.70000 ? 59 VAL B HG12 1 +ATOM 3701 H HG13 . VAL B 2 59 ? -3.47900 -1.09900 3.57700 1.000 113.70000 ? 59 VAL B HG13 1 +ATOM 3702 H HG21 . VAL B 2 59 ? -2.92000 -3.77400 3.88700 1.000 101.46000 ? 59 VAL B HG21 1 +ATOM 3703 H HG22 . VAL B 2 59 ? -3.19300 -4.10800 2.35800 1.000 101.46000 ? 59 VAL B HG22 1 +ATOM 3704 H HG23 . VAL B 2 59 ? -1.74600 -4.33000 2.97300 1.000 101.46000 ? 59 VAL B HG23 1 +ATOM 3705 N N . SER B 2 60 ? -2.00100 0.25300 0.56200 1.000 107.45236 ? 60 SER B N 1 +ATOM 3706 C CA . SER B 2 60 ? -2.16100 1.67500 0.28200 1.000 107.03915 ? 60 SER B CA 1 +ATOM 3707 C C . SER B 2 60 ? -3.19000 1.94100 -0.81000 1.000 107.99190 ? 60 SER B C 1 +ATOM 3708 O O . SER B 2 60 ? -3.47500 3.10900 -1.10000 1.000 106.37328 ? 60 SER B O 1 +ATOM 3709 C CB . SER B 2 60 ? -0.82000 2.28500 -0.13400 1.000 98.16967 ? 60 SER B CB 1 +ATOM 3710 O OG . SER B 2 60 ? 0.23500 1.80400 0.67800 1.000 107.06810 ? 60 SER B OG 1 +ATOM 3711 H H . SER B 2 60 ? -1.24400 -0.07400 0.32100 1.000 128.96000 ? 60 SER B H 1 +ATOM 3712 H HA . SER B 2 60 ? -2.45300 2.11700 1.09400 1.000 128.46000 ? 60 SER B HA 1 +ATOM 3713 H HB2 . SER B 2 60 ? -0.63900 2.04700 -1.05700 1.000 117.81000 ? 60 SER B HB2 1 +ATOM 3714 H HB3 . SER B 2 60 ? -0.87200 3.24900 -0.04400 1.000 117.81000 ? 60 SER B HB3 1 +ATOM 3715 H HG . SER B 2 60 ? 0.38400 0.99600 0.50700 1.000 128.49000 ? 60 SER B HG 1 +ATOM 3716 N N . THR B 2 61 ? -3.74400 0.89500 -1.41500 1.000 119.05112 ? 61 THR B N 1 +ATOM 3717 C CA . THR B 2 61 ? -4.66500 1.02800 -2.54100 1.000 120.39075 ? 61 THR B CA 1 +ATOM 3718 C C . THR B 2 61 ? -6.10300 1.07000 -2.04100 1.000 106.06272 ? 61 THR B C 1 +ATOM 3719 O O . THR B 2 61 ? -6.92200 1.83300 -2.55000 1.000 102.59651 ? 61 THR B O 1 +ATOM 3720 C CB . THR B 2 61 ? -4.48900 -0.13700 -3.53800 1.000 127.42317 ? 61 THR B CB 1 +ATOM 3721 O OG1 . THR B 2 61 ? -3.11600 -0.21400 -3.95300 1.000 127.78111 ? 61 THR B OG1 1 +ATOM 3722 C CG2 . THR B 2 61 ? -5.36600 0.05000 -4.76300 1.000 105.24420 ? 61 THR B CG2 1 +ATOM 3723 H H . THR B 2 61 ? -3.60000 0.07800 -1.18800 1.000 142.87000 ? 61 THR B H 1 +ATOM 3724 H HA . THR B 2 61 ? -4.49300 1.85400 -3.01900 1.000 144.48000 ? 61 THR B HA 1 +ATOM 3725 H HB . THR B 2 61 ? -4.74900 -0.96400 -3.10300 1.000 152.92000 ? 61 THR B HB 1 +ATOM 3726 H HG1 . THR B 2 61 ? -3.01800 -0.83800 -4.50700 1.000 153.35000 ? 61 THR B HG1 1 +ATOM 3727 H HG21 . THR B 2 61 ? -5.39300 -0.77100 -5.28000 1.000 126.31000 ? 61 THR B HG21 1 +ATOM 3728 H HG22 . THR B 2 61 ? -6.26800 0.28200 -4.49300 1.000 126.31000 ? 61 THR B HG22 1 +ATOM 3729 H HG23 . THR B 2 61 ? -5.01100 0.76100 -5.31900 1.000 126.31000 ? 61 THR B HG23 1 +HETATM 3730 ZN ZN . ZN C 3 . ? -0.36300 -17.93600 20.78800 1.000 45.60000 ? 201 ZN A ZN 1 +HETATM 3731 C C5 . BB2 D 4 . ? -0.11900 -14.19800 18.86900 1.000 38.46000 ? 202 BB2 A C5 1 +HETATM 3732 C C3 . BB2 D 4 . ? -0.20300 -15.29300 19.89700 1.000 35.51000 ? 202 BB2 A C3 1 +HETATM 3733 O O4 . BB2 D 4 . ? 0.61800 -16.16300 19.93200 1.000 42.73000 ? 202 BB2 A O4 1 +HETATM 3734 N N1 . BB2 D 4 . ? -1.26500 -15.24900 20.71200 1.000 52.65000 ? 202 BB2 A N1 1 +HETATM 3735 O O2 . BB2 D 4 . ? -1.43900 -16.22400 21.65600 1.000 44.51000 ? 202 BB2 A O2 1 +HETATM 3736 C C6 . BB2 D 4 . ? -0.96800 -14.63400 17.65700 1.000 38.22000 ? 202 BB2 A C6 1 +HETATM 3737 C C12 . BB2 D 4 . ? -0.51200 -13.85000 16.44400 1.000 37.34000 ? 202 BB2 A C12 1 +HETATM 3738 O O13 . BB2 D 4 . ? -0.59200 -12.65200 16.47000 1.000 37.00000 ? 202 BB2 A O13 1 +HETATM 3739 C C7 . BB2 D 4 . ? -2.42000 -14.23200 17.95000 1.000 48.22000 ? 202 BB2 A C7 1 +HETATM 3740 C C8 . BB2 D 4 . ? -3.50100 -15.24200 17.68000 1.000 53.59000 ? 202 BB2 A C8 1 +HETATM 3741 C C9 . BB2 D 4 . ? -3.36200 -15.87700 16.33800 1.000 48.25000 ? 202 BB2 A C9 1 +HETATM 3742 C C10 . BB2 D 4 . ? -4.68800 -16.44600 15.80000 1.000 44.39000 ? 202 BB2 A C10 1 +HETATM 3743 C C11 . BB2 D 4 . ? -4.80600 -16.06700 14.32700 1.000 39.44000 ? 202 BB2 A C11 1 +HETATM 3744 N N14 . BB2 D 4 . ? -0.03600 -14.55600 15.42000 1.000 41.38000 ? 202 BB2 A N14 1 +HETATM 3745 C C15 . BB2 D 4 . ? 0.42200 -13.95500 14.17400 1.000 40.88000 ? 202 BB2 A C15 1 +HETATM 3746 C C16 . BB2 D 4 . ? 1.91000 -14.06400 13.88100 1.000 42.06000 ? 202 BB2 A C16 1 +HETATM 3747 C C18 . BB2 D 4 . ? 2.75300 -13.47100 14.97100 1.000 40.73000 ? 202 BB2 A C18 1 +HETATM 3748 C C17 . BB2 D 4 . ? 2.23500 -13.44400 12.50800 1.000 41.46000 ? 202 BB2 A C17 1 +HETATM 3749 C C19 . BB2 D 4 . ? -0.47000 -14.69400 13.15500 1.000 36.57000 ? 202 BB2 A C19 1 +HETATM 3750 O O20 . BB2 D 4 . ? -0.31200 -15.89700 13.03600 1.000 37.34000 ? 202 BB2 A O20 1 +HETATM 3751 N N21 . BB2 D 4 . ? -1.38300 -14.02000 12.45400 1.000 37.41000 ? 202 BB2 A N21 1 +HETATM 3752 C C22 . BB2 D 4 . ? -2.25100 -14.72700 11.50200 1.000 41.37000 ? 202 BB2 A C22 1 +HETATM 3753 C C23 . BB2 D 4 . ? -1.66300 -12.58900 12.53800 1.000 42.52000 ? 202 BB2 A C23 1 +HETATM 3754 C C24 . BB2 D 4 . ? -2.79500 -12.34500 11.54500 1.000 43.86000 ? 202 BB2 A C24 1 +HETATM 3755 C C25 . BB2 D 4 . ? -3.39100 -13.72800 11.29600 1.000 42.38000 ? 202 BB2 A C25 1 +HETATM 3756 C C26 . BB2 D 4 . ? -1.53800 -15.06900 10.20200 1.000 42.27000 ? 202 BB2 A C26 1 +HETATM 3757 O O27 . BB2 D 4 . ? -2.42300 -15.84700 9.40200 1.000 38.51000 ? 202 BB2 A O27 1 +HETATM 3758 H H51 . BB2 D 4 . ? -0.44000 -13.37100 19.26100 1.000 46.16000 ? 202 BB2 A H51 1 +HETATM 3759 H H52 . BB2 D 4 . ? 0.81100 -14.05600 18.63300 1.000 46.16000 ? 202 BB2 A H52 1 +HETATM 3760 H HN1 . BB2 D 4 . ? -1.86700 -14.63500 20.68500 1.000 63.19000 ? 202 BB2 A HN1 1 +HETATM 3761 H HO2 . BB2 D 4 . ? -1.22100 -15.87600 22.40000 1.000 53.43000 ? 202 BB2 A HO2 1 +HETATM 3762 H H6 . BB2 D 4 . ? -0.87500 -15.58500 17.48900 1.000 45.88000 ? 202 BB2 A H6 1 +HETATM 3763 H H71 . BB2 D 4 . ? -2.61400 -13.43200 17.43700 1.000 57.87000 ? 202 BB2 A H71 1 +HETATM 3764 H H72 . BB2 D 4 . ? -2.47000 -13.97200 18.88400 1.000 57.87000 ? 202 BB2 A H72 1 +HETATM 3765 H H81 . BB2 D 4 . ? -4.36900 -14.81500 17.74800 1.000 64.32000 ? 202 BB2 A H81 1 +HETATM 3766 H H82 . BB2 D 4 . ? -3.48400 -15.92700 18.36700 1.000 64.32000 ? 202 BB2 A H82 1 +HETATM 3767 H H91 . BB2 D 4 . ? -2.70200 -16.58700 16.38500 1.000 57.91000 ? 202 BB2 A H91 1 +HETATM 3768 H H92 . BB2 D 4 . ? -3.01100 -15.22700 15.70900 1.000 57.91000 ? 202 BB2 A H92 1 +HETATM 3769 H H101 . BB2 D 4 . ? -5.43700 -16.09800 16.30700 1.000 53.28000 ? 202 BB2 A H101 1 +HETATM 3770 H H102 . BB2 D 4 . ? -4.71300 -17.41000 15.91100 1.000 53.28000 ? 202 BB2 A H102 1 +HETATM 3771 H H111 . BB2 D 4 . ? -4.06900 -16.42100 13.80500 1.000 47.34000 ? 202 BB2 A H111 1 +HETATM 3772 H H112 . BB2 D 4 . ? -4.80700 -15.10400 14.20400 1.000 47.34000 ? 202 BB2 A H112 1 +HETATM 3773 H H113 . BB2 D 4 . ? -5.62500 -16.40700 13.93400 1.000 47.34000 ? 202 BB2 A H113 1 +HETATM 3774 H H14 . BB2 D 4 . ? 0.00800 -15.41200 15.48500 1.000 49.67000 ? 202 BB2 A H14 1 +HETATM 3775 H H15 . BB2 D 4 . ? 0.31800 -12.99200 14.21000 1.000 49.07000 ? 202 BB2 A H15 1 +HETATM 3776 H H16 . BB2 D 4 . ? 2.11600 -15.01100 13.82700 1.000 50.48000 ? 202 BB2 A H16 1 +HETATM 3777 H H181 . BB2 D 4 . ? 2.42100 -12.58800 15.19500 1.000 48.89000 ? 202 BB2 A H181 1 +HETATM 3778 H H182 . BB2 D 4 . ? 2.71500 -14.03900 15.75600 1.000 48.89000 ? 202 BB2 A H182 1 +HETATM 3779 H H183 . BB2 D 4 . ? 3.67300 -13.40200 14.66900 1.000 48.89000 ? 202 BB2 A H183 1 +HETATM 3780 H H171 . BB2 D 4 . ? 3.19100 -13.37600 12.35900 1.000 49.76000 ? 202 BB2 A H171 1 +HETATM 3781 H H172 . BB2 D 4 . ? 1.87100 -13.97000 11.77900 1.000 49.76000 ? 202 BB2 A H172 1 +HETATM 3782 H H173 . BB2 D 4 . ? 1.87100 -12.54900 12.42100 1.000 49.76000 ? 202 BB2 A H173 1 +HETATM 3783 H H22 . BB2 D 4 . ? -2.54600 -15.55700 11.90700 1.000 49.66000 ? 202 BB2 A H22 1 +HETATM 3784 H H231 . BB2 D 4 . ? -1.92700 -12.34600 13.44000 1.000 51.03000 ? 202 BB2 A H231 1 +HETATM 3785 H H232 . BB2 D 4 . ? -0.87500 -12.07400 12.30800 1.000 51.03000 ? 202 BB2 A H232 1 +HETATM 3786 H H241 . BB2 D 4 . ? -2.45000 -11.95100 10.72900 1.000 52.64000 ? 202 BB2 A H241 1 +HETATM 3787 H H242 . BB2 D 4 . ? -3.45000 -11.73500 11.92200 1.000 52.64000 ? 202 BB2 A H242 1 +HETATM 3788 H H251 . BB2 D 4 . ? -3.74500 -13.80400 10.39600 1.000 50.86000 ? 202 BB2 A H251 1 +HETATM 3789 H H252 . BB2 D 4 . ? -4.11700 -13.91700 11.91100 1.000 50.86000 ? 202 BB2 A H252 1 +HETATM 3790 H H261 . BB2 D 4 . ? -0.72300 -15.54900 10.41600 1.000 50.74000 ? 202 BB2 A H261 1 +HETATM 3791 H H262 . BB2 D 4 . ? -1.28300 -14.24100 9.76400 1.000 50.74000 ? 202 BB2 A H262 1 +HETATM 3792 H H27 . BB2 D 4 . ? -2.07400 -15.93600 8.63200 1.000 46.23000 ? 202 BB2 A H27 1 +HETATM 3793 C C . FMT E 5 . ? -17.33400 -14.74500 32.80500 1.000 77.10000 ? 203 FMT A C 1 +HETATM 3794 O O1 . FMT E 5 . ? -16.57400 -15.51100 33.36500 1.000 75.46000 ? 203 FMT A O1 1 +HETATM 3795 O O2 . FMT E 5 . ? -18.54000 -14.35600 33.29800 1.000 72.55000 ? 203 FMT A O2 1 +HETATM 3796 H H . FMT E 5 . ? -17.07200 -14.38700 31.95600 1.000 92.54000 ? 203 FMT A H 1 +HETATM 3797 C C . FMT F 5 . ? -17.92800 -4.50700 26.97800 1.000 74.68000 ? 204 FMT A C 1 +HETATM 3798 O O1 . FMT F 5 . ? -16.95100 -5.14600 26.63200 1.000 72.01000 ? 204 FMT A O1 1 +HETATM 3799 O O2 . FMT F 5 . ? -18.07900 -3.96300 28.21200 1.000 71.71000 ? 204 FMT A O2 1 +HETATM 3800 H H . FMT F 5 . ? -18.63600 -4.37500 26.34600 1.000 89.63000 ? 204 FMT A H 1 +HETATM 3801 C C . FMT G 5 . ? -6.61400 -28.93200 12.18100 1.000 73.78000 ? 205 FMT A C 1 +HETATM 3802 O O1 . FMT G 5 . ? -5.46500 -29.29100 12.01700 1.000 73.55000 ? 205 FMT A O1 1 +HETATM 3803 O O2 . FMT G 5 . ? -7.23800 -28.90400 13.37500 1.000 66.50000 ? 205 FMT A O2 1 +HETATM 3804 H H . FMT G 5 . ? -7.11500 -28.64700 11.41600 1.000 88.55000 ? 205 FMT A H 1 +HETATM 3805 C C . FMT H 5 . ? -13.47000 -22.63600 27.04300 1.000 69.66000 ? 206 FMT A C 1 +HETATM 3806 O O1 . FMT H 5 . ? -14.35000 -21.79900 27.11500 1.000 57.32000 ? 206 FMT A O1 1 +HETATM 3807 O O2 . FMT H 5 . ? -12.32600 -22.60700 27.77400 1.000 67.25000 ? 206 FMT A O2 1 +HETATM 3808 H H . FMT H 5 . ? -13.58500 -23.36500 26.43300 1.000 83.60000 ? 206 FMT A H 1 +HETATM 3809 C C . FMT I 5 . ? -14.82300 -1.00400 29.03900 1.000 88.45000 ? 207 FMT A C 1 +HETATM 3810 O O1 . FMT I 5 . ? -14.08000 -0.39100 28.29900 1.000 74.19000 ? 207 FMT A O1 1 +HETATM 3811 O O2 . FMT I 5 . ? -15.91500 -1.68700 28.62000 1.000 73.53000 ? 207 FMT A O2 1 +HETATM 3812 H H . FMT I 5 . ? -14.63200 -1.00900 29.97800 1.000 106.15000 ? 207 FMT A H 1 +HETATM 3813 C C . FMT J 5 . ? 0.14200 -10.15800 38.51000 1.000 100.24000 ? 208 FMT A C 1 +HETATM 3814 O O1 . FMT J 5 . ? -0.73300 -9.34500 38.73900 1.000 83.27000 ? 208 FMT A O1 1 +HETATM 3815 O O2 . FMT J 5 . ? 1.34100 -9.85200 37.95900 1.000 91.68000 ? 208 FMT A O2 1 +HETATM 3816 H H . FMT J 5 . ? -0.01900 -11.07600 38.73200 1.000 120.30000 ? 208 FMT A H 1 +HETATM 3817 C C . FMT K 5 . ? 1.72400 -17.15500 38.09900 1.000 78.05000 ? 209 FMT A C 1 +HETATM 3818 O O1 . FMT K 5 . ? 2.77900 -16.69300 37.71700 1.000 76.87000 ? 209 FMT A O1 1 +HETATM 3819 O O2 . FMT K 5 . ? 0.73500 -16.42900 38.67600 1.000 72.62000 ? 209 FMT A O2 1 +HETATM 3820 H H . FMT K 5 . ? 1.57200 -18.09400 37.98800 1.000 93.68000 ? 209 FMT A H 1 +HETATM 3821 C C . FMT L 5 . ? 7.83600 -15.14100 11.92100 1.000 70.77000 ? 210 FMT A C 1 +HETATM 3822 O O1 . FMT L 5 . ? 8.27900 -16.01300 11.20900 1.000 72.23000 ? 210 FMT A O1 1 +HETATM 3823 O O2 . FMT L 5 . ? 8.09300 -15.04900 13.23800 1.000 67.19000 ? 210 FMT A O2 1 +HETATM 3824 H H . FMT L 5 . ? 7.26800 -14.47500 11.53100 1.000 84.94000 ? 210 FMT A H 1 +HETATM 3825 P P . PO4 M 6 . ? 12.99100 -41.97600 14.20700 1.000 51.56000 ? 211 PO4 A P 1 +HETATM 3826 O O1 . PO4 M 6 . ? 14.25900 -41.12100 14.53900 1.000 57.33000 ? 211 PO4 A O1 1 +HETATM 3827 O O2 . PO4 M 6 . ? 13.44800 -43.47300 14.02100 1.000 52.99000 ? 211 PO4 A O2 1 +HETATM 3828 O O3 . PO4 M 6 . ? 11.96300 -41.87500 15.38200 1.000 48.40000 ? 211 PO4 A O3 1 +HETATM 3829 O O4 . PO4 M 6 . ? 12.32000 -41.47200 12.88600 1.000 45.70000 ? 211 PO4 A O4 1 +HETATM 3830 P P . PO4 N 6 . ? 5.50500 -30.99200 25.02400 1.000 98.34000 ? 212 PO4 A P 1 +HETATM 3831 O O1 . PO4 N 6 . ? 5.37300 -32.18300 26.03400 1.000 94.60000 ? 212 PO4 A O1 1 +HETATM 3832 O O2 . PO4 N 6 . ? 6.82000 -31.21000 24.18000 1.000 59.78000 ? 212 PO4 A O2 1 +HETATM 3833 O O3 . PO4 N 6 . ? 4.25500 -30.98400 24.06700 1.000 62.29000 ? 212 PO4 A O3 1 +HETATM 3834 O O4 . PO4 N 6 . ? 5.56700 -29.62900 25.82700 1.000 51.92000 ? 212 PO4 A O4 1 +HETATM 3835 P P . PO4 O 6 . ? 7.91700 -28.20700 9.10300 1.000 163.74000 ? 213 PO4 A P 1 +HETATM 3836 O O1 . PO4 O 6 . ? 7.05200 -28.45800 7.82400 1.000 108.47000 ? 213 PO4 A O1 1 +HETATM 3837 O O2 . PO4 O 6 . ? 7.13100 -28.70000 10.36600 1.000 89.52000 ? 213 PO4 A O2 1 +HETATM 3838 O O3 . PO4 O 6 . ? 9.26800 -28.99400 8.97300 1.000 92.15000 ? 213 PO4 A O3 1 +HETATM 3839 O O4 . PO4 O 6 . ? 8.21600 -26.67600 9.24900 1.000 98.26000 ? 213 PO4 A O4 1 +HETATM 3840 P P . PO4 P 6 . ? -3.05300 -35.69200 16.55400 1.000 179.26000 ? 214 PO4 A P 1 +HETATM 3841 O O1 . PO4 P 6 . ? -3.27100 -34.14200 16.56400 1.000 82.58000 ? 214 PO4 A O1 1 +HETATM 3842 O O2 . PO4 P 6 . ? -4.29000 -36.39100 17.21400 1.000 173.60000 ? 214 PO4 A O2 1 +HETATM 3843 O O3 . PO4 P 6 . ? -1.75400 -36.04100 17.36300 1.000 85.98000 ? 214 PO4 A O3 1 +HETATM 3844 O O4 . PO4 P 6 . ? -2.89900 -36.19500 15.07500 1.000 104.46000 ? 214 PO4 A O4 1 +HETATM 3845 K K . K Q 7 . ? 4.79200 -22.57600 7.04900 1.000 89.01000 ? 101 K B K 1 +HETATM 3846 O O . HOH R 8 . ? -6.29400 -9.50800 41.32500 1.000 71.15000 ? 301 HOH A O 1 +HETATM 3847 O O . HOH R 8 . ? -3.01300 -3.27300 14.22700 1.000 64.41000 ? 302 HOH A O 1 +HETATM 3848 O O . HOH R 8 . ? -7.32400 -30.98600 20.08100 1.000 68.99000 ? 303 HOH A O 1 +HETATM 3849 O O . HOH R 8 . ? -11.96100 -20.75800 29.43800 1.000 59.77000 ? 304 HOH A O 1 +HETATM 3850 O O . HOH R 8 . ? -0.61500 -26.00900 7.32500 1.000 55.35000 ? 305 HOH A O 1 +HETATM 3851 O O . HOH R 8 . ? -11.71400 -18.32700 32.10000 1.000 51.58000 ? 306 HOH A O 1 +HETATM 3852 O O . HOH R 8 . ? -2.55200 -27.96900 9.33100 1.000 50.88000 ? 307 HOH A O 1 +HETATM 3853 O O . HOH R 8 . ? 9.13900 -29.75700 27.53000 1.000 57.48000 ? 308 HOH A O 1 +HETATM 3854 O O . HOH R 8 . ? -8.28800 -21.59200 12.93700 1.000 39.92000 ? 309 HOH A O 1 +HETATM 3855 O O . HOH R 8 . ? -25.67800 -14.52700 21.52100 1.000 73.69000 ? 310 HOH A O 1 +HETATM 3856 O O . HOH R 8 . ? -0.12500 -5.72500 16.78400 1.000 47.28000 ? 311 HOH A O 1 +HETATM 3857 O O . HOH R 8 . ? -8.19700 -12.68100 8.40700 1.000 44.34000 ? 312 HOH A O 1 +HETATM 3858 O O . HOH R 8 . ? -10.68700 -18.74000 7.16700 1.000 58.31000 ? 313 HOH A O 1 +HETATM 3859 O O . HOH R 8 . ? 5.17700 -24.10300 9.70200 1.000 55.82000 ? 314 HOH A O 1 +HETATM 3860 O O . HOH R 8 . ? 9.90800 -9.11800 18.26700 1.000 58.63000 ? 315 HOH A O 1 +HETATM 3861 O O . HOH R 8 . ? 9.85100 -15.42200 22.91600 1.000 48.59000 ? 316 HOH A O 1 +HETATM 3862 O O . HOH R 8 . ? 2.28500 -3.49800 16.43500 1.000 52.49000 ? 317 HOH A O 1 +HETATM 3863 O O . HOH R 8 . ? -5.77900 -21.20000 5.16800 1.000 57.46000 ? 318 HOH A O 1 +HETATM 3864 O O . HOH R 8 . ? -9.76200 -5.22500 18.61800 1.000 45.34000 ? 319 HOH A O 1 +HETATM 3865 O O . HOH R 8 . ? -11.989 3.885 19.432 1.000 62.89000 ? 320 HOH A O 1 +HETATM 3866 O O . HOH R 8 . ? -1.53900 -20.72400 32.49300 1.000 46.90000 ? 321 HOH A O 1 +HETATM 3867 O O . HOH R 8 . ? 4.29400 -18.76700 14.77200 1.000 42.89000 ? 322 HOH A O 1 +HETATM 3868 O O . HOH R 8 . ? -4.51800 -23.31100 20.12300 1.000 39.85000 ? 323 HOH A O 1 +HETATM 3869 O O . HOH R 8 . ? 4.75900 -34.86300 18.27700 1.000 45.03000 ? 324 HOH A O 1 +HETATM 3870 O O . HOH R 8 . ? 8.778 -35.480 12.409 1.000 43.28000 ? 325 HOH A O 1 +HETATM 3871 O O . HOH R 8 . ? -0.62500 -37.99800 14.38100 1.000 38.21000 ? 326 HOH A O 1 +HETATM 3872 O O . HOH R 8 . ? 5.34600 -26.27800 25.59400 1.000 45.85000 ? 327 HOH A O 1 +HETATM 3873 O O . HOH R 8 . ? -0.24900 -21.95600 26.56100 1.000 45.31000 ? 328 HOH A O 1 +HETATM 3874 O O . HOH R 8 . ? -3.69900 0.79100 21.48300 1.000 46.66000 ? 329 HOH A O 1 +HETATM 3875 O O . HOH R 8 . ? 8.32000 -14.89600 20.60700 1.000 51.40000 ? 330 HOH A O 1 +HETATM 3876 O O . HOH R 8 . ? -2.95800 -21.84700 21.81700 1.000 40.73000 ? 331 HOH A O 1 +HETATM 3877 O O . HOH R 8 . ? 10.95600 -37.75500 18.62200 1.000 48.35000 ? 332 HOH A O 1 +HETATM 3878 O O . HOH R 8 . ? -11.98000 1.68100 32.16900 1.000 67.30000 ? 333 HOH A O 1 +HETATM 3879 O O . HOH R 8 . ? 3.27600 -33.73400 21.60400 1.000 50.61000 ? 334 HOH A O 1 +HETATM 3880 O O . HOH R 8 . ? -10.76300 -24.12300 18.87600 1.000 43.55000 ? 335 HOH A O 1 +HETATM 3881 O O . HOH R 8 . ? 10.59400 -20.41100 27.04700 1.000 48.09000 ? 336 HOH A O 1 +HETATM 3882 O O . HOH R 8 . ? 3.49100 -6.83200 34.84600 1.000 58.83000 ? 337 HOH A O 1 +HETATM 3883 O O . HOH R 8 . ? 5.92600 -16.27000 14.48400 1.000 54.37000 ? 338 HOH A O 1 +HETATM 3884 O O . HOH R 8 . ? -13.39000 -10.69700 13.28200 1.000 53.24000 ? 339 HOH A O 1 +HETATM 3885 O O . HOH R 8 . ? 11.68700 -20.58100 14.16400 1.000 56.95000 ? 340 HOH A O 1 +HETATM 3886 O O . HOH R 8 . ? 9.08300 -10.19700 24.24600 1.000 50.69000 ? 341 HOH A O 1 +HETATM 3887 O O . HOH R 8 . ? -10.85200 -21.12700 11.78800 1.000 50.97000 ? 342 HOH A O 1 +HETATM 3888 O O . HOH R 8 . ? 13.62300 -19.03800 19.20400 1.000 65.23000 ? 343 HOH A O 1 +HETATM 3889 O O . HOH R 8 . ? -2.75600 -5.18600 16.29700 1.000 57.41000 ? 344 HOH A O 1 +HETATM 3890 O O . HOH R 8 . ? -1.78300 -33.45900 20.16700 1.000 61.60000 ? 345 HOH A O 1 +HETATM 3891 O O . HOH R 8 . ? -10.55100 -25.11700 21.63600 1.000 50.98000 ? 346 HOH A O 1 +HETATM 3892 O O . HOH R 8 . ? -5.85800 -18.38500 6.76800 1.000 51.79000 ? 347 HOH A O 1 +HETATM 3893 O O . HOH R 8 . ? 8.93900 -19.76700 36.29400 1.000 56.13000 ? 348 HOH A O 1 +HETATM 3894 O O . HOH R 8 . ? -10.13900 -28.94600 15.55200 1.000 60.31000 ? 349 HOH A O 1 +HETATM 3895 O O . HOH R 8 . ? 11.85300 -17.22500 25.59500 1.000 60.93000 ? 350 HOH A O 1 +HETATM 3896 O O . HOH R 8 . ? -0.76700 -31.60600 10.54400 1.000 47.34000 ? 351 HOH A O 1 +HETATM 3897 O O . HOH R 8 . ? -0.77200 -21.59200 20.28900 1.000 37.08000 ? 352 HOH A O 1 +HETATM 3898 O O . HOH R 8 . ? 10.32000 -12.65300 24.28900 1.000 51.17000 ? 353 HOH A O 1 +HETATM 3899 O O . HOH R 8 . ? 7.62700 -8.55900 22.42800 1.000 46.06000 ? 354 HOH A O 1 +HETATM 3900 O O . HOH R 8 . ? 8.71100 -14.94500 34.82500 1.000 62.54000 ? 355 HOH A O 1 +HETATM 3901 O O . HOH R 8 . ? -6.82000 -32.07100 15.10300 1.000 66.69000 ? 356 HOH A O 1 +HETATM 3902 O O . HOH R 8 . ? -10.16500 -27.67600 21.68600 1.000 64.83000 ? 357 HOH A O 1 +HETATM 3903 O O . HOH R 8 . ? 13.27200 -29.43900 25.78100 1.000 68.54000 ? 358 HOH A O 1 +HETATM 3904 O O . HOH R 8 . ? -16.87800 -10.37700 14.95400 1.000 60.11000 ? 359 HOH A O 1 +HETATM 3905 O O . HOH R 8 . ? 8.90300 -11.29000 31.88300 1.000 51.29000 ? 360 HOH A O 1 +HETATM 3906 O O . HOH R 8 . ? 1.71000 -6.54800 37.59400 1.000 64.08000 ? 361 HOH A O 1 +HETATM 3907 O O . HOH R 8 . ? -13.24100 -7.20300 40.32800 1.000 66.71000 ? 362 HOH A O 1 +HETATM 3908 O O . HOH R 8 . ? -11.18600 -26.18700 17.42900 1.000 55.20000 ? 363 HOH A O 1 +HETATM 3909 O O . HOH R 8 . ? 12.50700 -11.09700 27.27900 1.000 68.19000 ? 364 HOH A O 1 +HETATM 3910 O O . HOH R 8 . ? 2.93200 0.99300 31.78700 1.000 62.85000 ? 365 HOH A O 1 +HETATM 3911 O O . HOH R 8 . ? -2.05900 -29.92300 28.46500 1.000 69.39000 ? 366 HOH A O 1 +HETATM 3912 O O . HOH R 8 . ? 13.64000 -38.90100 17.60000 1.000 68.85000 ? 367 HOH A O 1 +HETATM 3913 O O . HOH R 8 . ? 9.57600 -14.81400 32.36800 1.000 70.17000 ? 368 HOH A O 1 +HETATM 3914 O O . HOH S 8 . ? -10.99700 -13.04900 8.30700 1.000 55.34000 ? 201 HOH B O 1 +HETATM 3915 O O . HOH S 8 . ? 0.99700 -4.61800 11.00500 1.000 47.36000 ? 202 HOH B O 1 +HETATM 3916 O O . HOH S 8 . ? 9.90700 -14.72800 18.57900 1.000 53.87000 ? 203 HOH B O 1 +HETATM 3917 O O . HOH S 8 . ? 5.76000 -4.89700 7.26300 1.000 53.22000 ? 204 HOH B O 1 +HETATM 3918 O O . HOH S 8 . ? 8.28200 -12.14100 19.91400 1.000 50.22000 ? 205 HOH B O 1 +HETATM 3919 O O . HOH S 8 . ? 17.33100 -15.63100 0.74300 1.000 73.69000 ? 206 HOH B O 1 +HETATM 3920 O O . HOH S 8 . ? -13.41500 -13.30200 6.29300 1.000 74.90000 ? 207 HOH B O 1 +HETATM 3921 O O . HOH S 8 . ? 2.19400 -5.05200 13.32600 1.000 52.68000 ? 208 HOH B O 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . ALA A 2 ? 0.64840 0.65240 0.82640 -0.20980 -0.14230 0.00140 2 ALA A N +2 C CA . ALA A 2 ? 0.58400 0.61140 0.79110 -0.19960 -0.14520 -0.00250 2 ALA A CA +3 C C . ALA A 2 ? 0.56840 0.58730 0.75940 -0.18520 -0.13960 0.00190 2 ALA A C +4 O O . ALA A 2 ? 0.58980 0.58390 0.74430 -0.18180 -0.14080 0.00690 2 ALA A O +5 C CB . ALA A 2 ? 0.64010 0.67640 0.85560 -0.19730 -0.16750 -0.00840 2 ALA A CB +10 N N . ILE A 3 ? 0.47760 0.51670 0.69570 -0.17700 -0.13330 0.00010 3 ILE A N +11 C CA . ILE A 3 ? 0.54690 0.57980 0.75250 -0.16310 -0.12790 0.00380 3 ILE A CA +12 C C . ILE A 3 ? 0.54820 0.58100 0.74740 -0.15160 -0.14760 0.00120 3 ILE A C +13 O O . ILE A 3 ? 0.61530 0.66890 0.84210 -0.15000 -0.15870 -0.00460 3 ILE A O +14 C CB . ILE A 3 ? 0.58680 0.64090 0.82430 -0.15930 -0.11120 0.00310 3 ILE A CB +15 C CG1 . ILE A 3 ? 0.64520 0.69840 0.88790 -0.17030 -0.09070 0.00610 3 ILE A CG1 +16 C CG2 . ILE A 3 ? 0.51600 0.56350 0.74030 -0.14420 -0.10710 0.00660 3 ILE A CG2 +17 C CD1 . ILE A 3 ? 0.63100 0.65580 0.83480 -0.17210 -0.08200 0.01340 3 ILE A CD1 +29 N N . LEU A 4 ? 0.46210 0.47220 0.62570 -0.14350 -0.15180 0.00540 4 LEU A N +30 C CA . LEU A 4 ? 0.57270 0.57930 0.72550 -0.13190 -0.16950 0.00380 4 LEU A CA +31 C C . LEU A 4 ? 0.60930 0.62270 0.76870 -0.11740 -0.16310 0.00500 4 LEU A C +32 O O . LEU A 4 ? 0.57660 0.58630 0.73260 -0.11530 -0.14520 0.00920 4 LEU A O +33 C CB . LEU A 4 ? 0.58740 0.56380 0.69570 -0.13170 -0.17870 0.00760 4 LEU A CB +34 C CG . LEU A 4 ? 0.60750 0.57360 0.70470 -0.14600 -0.18410 0.00710 4 LEU A CG +35 C CD1 . LEU A 4 ? 0.63710 0.57260 0.68970 -0.14520 -0.19110 0.01130 4 LEU A CD1 +36 C CD2 . LEU A 4 ? 0.66980 0.65370 0.79130 -0.15020 -0.20050 0.00010 4 LEU A CD2 +48 N N . ASN A 5 ? 0.54110 0.56420 0.70980 -0.10720 -0.17790 0.00140 5 ASN A N +49 C CA . ASN A 5 ? 0.49890 0.52700 0.67180 -0.09250 -0.17420 0.00240 5 ASN A CA +50 C C . ASN A 5 ? 0.57670 0.57660 0.70690 -0.08460 -0.17420 0.00800 5 ASN A C +51 O O . ASN A 5 ? 0.57030 0.55130 0.67150 -0.08540 -0.18760 0.00890 5 ASN A O +52 C CB . ASN A 5 ? 0.58630 0.63330 0.78230 -0.08410 -0.19080 -0.00320 5 ASN A CB +53 C CG . ASN A 5 ? 0.74810 0.79710 0.94400 -0.06800 -0.18910 -0.00200 5 ASN A CG +54 O OD1 . ASN A 5 ? 0.73990 0.80340 0.95810 -0.06390 -0.17450 -0.00180 5 ASN A OD1 +55 N ND2 . ASN A 5 ? 0.82620 0.86040 0.99650 -0.05870 -0.20360 -0.00110 5 ASN A ND2 +62 N N . ILE A 6 ? 0.48060 0.47790 0.60710 -0.07690 -0.15900 0.01170 6 ILE A N +63 C CA . ILE A 6 ? 0.50570 0.47730 0.59330 -0.06910 -0.15680 0.01730 6 ILE A CA +64 C C . ILE A 6 ? 0.56160 0.53710 0.65030 -0.05330 -0.16510 0.01600 6 ILE A C +65 O O . ILE A 6 ? 0.57520 0.56960 0.69120 -0.04640 -0.15770 0.01420 6 ILE A O +66 C CB . ILE A 6 ? 0.50430 0.46770 0.58330 -0.07140 -0.13410 0.02270 6 ILE A CB +67 C CG1 . ILE A 6 ? 0.52380 0.48020 0.59720 -0.08690 -0.12700 0.02450 6 ILE A CG1 +68 C CG2 . ILE A 6 ? 0.50390 0.44340 0.54570 -0.06170 -0.13180 0.02800 6 ILE A CG2 +69 C CD1 . ILE A 6 ? 0.55840 0.50940 0.62770 -0.09080 -0.10430 0.02960 6 ILE A CD1 +81 N N . LEU A 7 ? 0.60190 0.55920 0.66080 -0.04750 -0.18030 0.01690 7 LEU A N +82 C CA . LEU A 7 ? 0.51850 0.47590 0.57360 -0.03210 -0.18830 0.01620 7 LEU A CA +83 C C . LEU A 7 ? 0.52020 0.46910 0.56320 -0.02360 -0.17170 0.02090 7 LEU A C +84 O O . LEU A 7 ? 0.57600 0.50780 0.59620 -0.02840 -0.15900 0.02590 7 LEU A O +85 C CB . LEU A 7 ? 0.55940 0.49610 0.58140 -0.02880 -0.20720 0.01670 7 LEU A CB +86 C CG . LEU A 7 ? 0.61600 0.55670 0.64310 -0.03630 -0.22570 0.01230 7 LEU A CG +87 C CD1 . LEU A 7 ? 0.63620 0.55090 0.62330 -0.03290 -0.24060 0.01410 7 LEU A CD1 +88 C CD2 . LEU A 7 ? 0.60140 0.56940 0.66600 -0.03180 -0.23610 0.00630 7 LEU A CD2 +100 N N . GLU A 8 ? 0.51530 0.47580 0.57310 -0.01080 -0.17210 0.01940 8 GLU A N +101 C CA . GLU A 8 ? 0.61680 0.57080 0.66530 -0.00160 -0.15700 0.02330 8 GLU A CA +102 C C . GLU A 8 ? 0.62220 0.56520 0.65100 0.01300 -0.16730 0.02390 8 GLU A C +103 O O . GLU A 8 ? 0.56320 0.51840 0.60730 0.01980 -0.18200 0.01980 8 GLU A O +104 C CB . GLU A 8 ? 0.61620 0.59610 0.70470 0.00020 -0.14250 0.02110 8 GLU A CB +105 C CG . GLU A 8 ? 0.59610 0.58690 0.70470 -0.01380 -0.13000 0.02080 8 GLU A CG +106 C CD . GLU A 8 ? 0.68730 0.70320 0.83490 -0.01190 -0.11530 0.01860 8 GLU A CD +107 O OE1 . GLU A 8 ? 0.63090 0.65280 0.78630 0.00050 -0.11210 0.01840 8 GLU A OE1 +108 O OE2 . GLU A 8 ? 0.58680 0.61600 0.75720 -0.02290 -0.10690 0.01720 8 GLU A OE2 +115 N N . PHE A 9 ? 0.59850 0.51880 0.59380 0.01760 -0.15930 0.02920 9 PHE A N +116 C CA . PHE A 9 ? 0.56870 0.47850 0.54580 0.03220 -0.16420 0.03040 9 PHE A CA +117 C C . PHE A 9 ? 0.60770 0.54200 0.62030 0.04250 -0.16290 0.02670 9 PHE A C +118 O O . PHE A 9 ? 0.62350 0.57570 0.66490 0.04020 -0.14830 0.02590 9 PHE A O +119 C CB . PHE A 9 ? 0.59440 0.48170 0.53940 0.03400 -0.14870 0.03670 9 PHE A CB +120 C CG . PHE A 9 ? 0.61770 0.49160 0.54070 0.04820 -0.15100 0.03860 9 PHE A CG +121 C CD1 . PHE A 9 ? 0.67340 0.53080 0.56940 0.05360 -0.16820 0.03860 9 PHE A CD1 +122 C CD2 . PHE A 9 ? 0.61180 0.48830 0.53960 0.05610 -0.13510 0.04060 9 PHE A CD2 +123 C CE1 . PHE A 9 ? 0.67990 0.52470 0.55550 0.06680 -0.17000 0.04040 9 PHE A CE1 +124 C CE2 . PHE A 9 ? 0.64330 0.50680 0.55020 0.06900 -0.13660 0.04240 9 PHE A CE2 +125 C CZ . PHE A 9 ? 0.65730 0.50500 0.53800 0.07440 -0.15420 0.04230 9 PHE A CZ +135 N N . PRO A 10 ? 0.60410 0.54020 0.61640 0.05400 -0.17760 0.02440 10 PRO A N +136 C CA . PRO A 10 ? 0.69880 0.61480 0.67860 0.05940 -0.19520 0.02510 10 PRO A CA +137 C C . PRO A 10 ? 0.69100 0.61270 0.67740 0.05480 -0.21620 0.02090 10 PRO A C +138 O O . PRO A 10 ? 0.74490 0.66060 0.71960 0.06290 -0.23250 0.01960 10 PRO A O +139 C CB . PRO A 10 ? 0.68430 0.60330 0.66700 0.07590 -0.19630 0.02470 10 PRO A CB +140 C CG . PRO A 10 ? 0.72360 0.67470 0.75470 0.07760 -0.19170 0.02040 10 PRO A CG +141 C CD . PRO A 10 ? 0.65660 0.61600 0.70310 0.06440 -0.17540 0.02120 10 PRO A CD +149 N N . ASP A 11 ? 0.64950 0.58210 0.65340 0.04160 -0.21640 0.01880 11 ASP A N +150 C CA . ASP A 11 ? 0.65260 0.58920 0.66080 0.03590 -0.23580 0.01490 11 ASP A CA +151 C C . ASP A 11 ? 0.68960 0.59780 0.65460 0.03660 -0.24880 0.01720 11 ASP A C +152 O O . ASP A 11 ? 0.65420 0.54110 0.58950 0.03050 -0.24120 0.02160 11 ASP A O +153 C CB . ASP A 11 ? 0.60130 0.54850 0.62770 0.02020 -0.23070 0.01340 11 ASP A CB +154 C CG . ASP A 11 ? 0.68650 0.64450 0.72740 0.01420 -0.24920 0.00840 11 ASP A CG +155 O OD1 . ASP A 11 ? 0.66720 0.61140 0.68540 0.01690 -0.26660 0.00790 11 ASP A OD1 +156 O OD2 . ASP A 11 ? 0.66460 0.64500 0.73960 0.00660 -0.24630 0.00500 11 ASP A OD2 +161 N N . PRO A 12 ? 0.82840 0.52110 0.58770 -0.04380 -0.23320 0.05290 12 PRO A N +162 C CA . PRO A 12 ? 0.84950 0.52110 0.59740 -0.05500 -0.21560 0.06900 12 PRO A CA +163 C C . PRO A 12 ? 0.87860 0.54700 0.58730 -0.06390 -0.18900 0.07280 12 PRO A C +164 O O . PRO A 12 ? 0.86600 0.52620 0.57200 -0.07320 -0.16970 0.08140 12 PRO A O +165 C CB . PRO A 12 ? 0.88790 0.52380 0.61180 -0.05850 -0.23480 0.08920 12 PRO A CB +166 C CG . PRO A 12 ? 0.96560 0.60070 0.66590 -0.05160 -0.25510 0.08560 12 PRO A CG +167 C CD . PRO A 12 ? 0.90250 0.57440 0.64100 -0.04050 -0.25980 0.06130 12 PRO A CD +175 N N . ARG A 13 ? 0.85290 0.52730 0.53150 -0.06180 -0.18750 0.06630 13 ARG A N +176 C CA . ARG A 13 ? 0.89860 0.57090 0.54200 -0.06990 -0.16240 0.06780 13 ARG A CA +177 C C . ARG A 13 ? 0.81340 0.51230 0.48900 -0.06920 -0.13920 0.05510 13 ARG A C +178 O O . ARG A 13 ? 0.85030 0.54650 0.50530 -0.07710 -0.11550 0.05770 13 ARG A O +179 C CB . ARG A 13 ? 0.85870 0.53140 0.46570 -0.06720 -0.16750 0.06220 13 ARG A CB +180 C CG . ARG A 13 ? 0.92090 0.56490 0.48430 -0.07110 -0.18540 0.07770 13 ARG A CG +181 C CD . ARG A 13 ? 0.97690 0.62570 0.51150 -0.06690 -0.19330 0.06890 13 ARG A CD +182 N NE . ARG A 13 ? 0.95380 0.62340 0.52220 -0.05450 -0.21250 0.05410 13 ARG A NE +183 C CZ . ARG A 13 ? 1.00410 0.68270 0.55810 -0.04930 -0.22160 0.04370 13 ARG A CZ +184 N NH1 . ARG A 13 ? 1.05200 0.72520 0.56860 -0.05420 -0.20940 0.04430 13 ARG A NH1 +185 N NH2 . ARG A 13 ? 0.94640 0.65070 0.54500 -0.03820 -0.23290 0.03010 13 ARG A NH2 +199 N N . LEU A 14 ? 0.78010 0.50610 0.50620 -0.06020 -0.14560 0.04140 14 LEU A N +200 C CA . LEU A 14 ? 0.67300 0.42510 0.43280 -0.06000 -0.12460 0.03110 14 LEU A CA +201 C C . LEU A 14 ? 0.71640 0.45880 0.48900 -0.06840 -0.11080 0.04080 14 LEU A C +202 O O . LEU A 14 ? 0.72160 0.48390 0.51830 -0.06980 -0.09080 0.03370 14 LEU A O +203 C CB . LEU A 14 ? 0.65430 0.44090 0.46510 -0.04910 -0.13610 0.01410 14 LEU A CB +204 C CG . LEU A 14 ? 0.71830 0.52360 0.52420 -0.04150 -0.14380 0.00170 14 LEU A CG +205 C CD1 . LEU A 14 ? 0.63340 0.46670 0.48430 -0.03190 -0.16370 -0.01150 14 LEU A CD1 +206 C CD2 . LEU A 14 ? 0.69160 0.51510 0.49620 -0.04230 -0.12020 -0.00580 14 LEU A CD2 +218 N N . ARG A 15 ? 0.72230 0.43550 0.48120 -0.07410 -0.12140 0.05690 15 ARG A N +219 C CA . ARG A 15 ? 0.74130 0.44270 0.50990 -0.08360 -0.10820 0.06770 15 ARG A CA +220 C C . ARG A 15 ? 0.84510 0.52450 0.56460 -0.09670 -0.08870 0.08200 15 ARG A C +221 O O . ARG A 15 ? 0.88510 0.55350 0.60660 -0.10640 -0.07590 0.09230 15 ARG A O +222 C CB . ARG A 15 ? 0.79830 0.48010 0.58390 -0.08340 -0.12990 0.07830 15 ARG A CB +223 C CG . ARG A 15 ? 0.78340 0.48810 0.61980 -0.07120 -0.14940 0.06290 15 ARG A CG +224 C CD . ARG A 15 ? 0.82200 0.56270 0.70440 -0.06830 -0.13340 0.04610 15 ARG A CD +225 N NE . ARG A 15 ? 0.79730 0.56140 0.73270 -0.05900 -0.15050 0.03180 15 ARG A NE +226 C CZ . ARG A 15 ? 0.73260 0.53000 0.71470 -0.05630 -0.14100 0.01710 15 ARG A CZ +227 N NH1 . ARG A 15 ? 0.65210 0.46260 0.63600 -0.06150 -0.11510 0.01510 15 ARG A NH1 +228 N NH2 . ARG A 15 ? 0.66480 0.48430 0.69350 -0.04830 -0.15800 0.00340 15 ARG A NH2 +242 N N . THR A 16 ? 0.85010 0.52400 0.52650 -0.09760 -0.08610 0.08200 16 THR A N +243 C CA . THR A 16 ? 0.92150 0.57850 0.55060 -0.11030 -0.06710 0.09300 16 THR A CA +244 C C . THR A 16 ? 0.89670 0.57260 0.53990 -0.11440 -0.03760 0.08430 16 THR A C +245 O O . THR A 16 ? 0.81510 0.51860 0.48640 -0.10600 -0.03050 0.06720 16 THR A O +246 C CB . THR A 16 ? 0.94900 0.60110 0.53370 -0.10920 -0.07090 0.09050 16 THR A CB +247 O OG1 . THR A 16 ? 0.99360 0.63540 0.57340 -0.10240 -0.09970 0.09400 16 THR A OG1 +248 C CG2 . THR A 16 ? 0.99190 0.62340 0.52330 -0.12390 -0.05580 0.10420 16 THR A CG2 +256 N N . ILE A 17 ? 0.89010 0.55180 0.51360 -0.12780 -0.02060 0.09660 17 ILE A N +257 C CA . ILE A 17 ? 0.89850 0.57650 0.52930 -0.13310 0.00880 0.08910 17 ILE A CA +258 C C . ILE A 17 ? 0.92020 0.59810 0.50810 -0.13690 0.02310 0.08470 17 ILE A C +259 O O . ILE A 17 ? 0.91810 0.57430 0.45890 -0.14680 0.02260 0.09730 17 ILE A O +260 C CB . ILE A 17 ? 0.92990 0.59470 0.56060 -0.14660 0.02140 0.10330 17 ILE A CB +261 C CG1 . ILE A 17 ? 0.93250 0.60110 0.61300 -0.14190 0.00920 0.10390 17 ILE A CG1 +262 C CG2 . ILE A 17 ? 0.95420 0.63490 0.58440 -0.15330 0.05260 0.09570 17 ILE A CG2 +263 C CD1 . ILE A 17 ? 1.00240 0.65350 0.68400 -0.15500 0.01640 0.11980 17 ILE A CD1 +275 N N . ALA A 18 ? 0.82930 0.53220 0.43430 -0.12960 0.03590 0.06690 18 ALA A N +276 C CA . ALA A 18 ? 0.90930 0.61340 0.47910 -0.13150 0.04840 0.05980 18 ALA A CA +277 C C . ALA A 18 ? 0.93590 0.63340 0.47730 -0.14620 0.07400 0.06520 18 ALA A C +278 O O . ALA A 18 ? 0.91130 0.61460 0.47290 -0.15190 0.08880 0.06760 18 ALA A O +279 C CB . ALA A 18 ? 0.85190 0.58440 0.45250 -0.11940 0.05490 0.03980 18 ALA A CB +285 N N . LYS A 19 ? 0.93720 0.62450 0.43240 -0.15270 0.07930 0.06620 19 LYS A N +286 C CA . LYS A 19 ? 0.94080 0.62420 0.40420 -0.16730 0.10350 0.06920 19 LYS A CA +287 C C . LYS A 19 ? 0.93210 0.63840 0.40840 -0.16360 0.12710 0.04950 19 LYS A C +288 O O . LYS A 19 ? 0.95640 0.67470 0.44500 -0.15190 0.12270 0.03530 19 LYS A O +289 C CB . LYS A 19 ? 1.05320 0.71630 0.45880 -0.17700 0.09720 0.07930 19 LYS A CB +290 C CG . LYS A 19 ? 1.20720 0.84550 0.59550 -0.18240 0.07440 0.10180 19 LYS A CG +291 C CD . LYS A 19 ? 1.48850 1.10970 0.81850 -0.19210 0.06800 0.11180 19 LYS A CD +292 C CE . LYS A 19 ? 1.63270 1.22920 0.94610 -0.19720 0.04460 0.13580 19 LYS A CE +293 N NZ . LYS A 19 ? 1.73580 1.31810 0.99170 -0.20680 0.03760 0.14620 19 LYS A NZ +307 N N . PRO A 20 ? 1.03470 0.74800 0.50930 -0.17360 0.15240 0.04800 20 PRO A N +308 C CA . PRO A 20 ? 1.01010 0.74510 0.49780 -0.16980 0.17510 0.02870 20 PRO A CA +309 C C . PRO A 20 ? 1.04160 0.77350 0.49290 -0.17040 0.17810 0.01930 20 PRO A C +310 O O . PRO A 20 ? 0.99720 0.71160 0.40270 -0.18030 0.17270 0.02860 20 PRO A O +311 C CB . PRO A 20 ? 1.06350 0.80290 0.54830 -0.18340 0.20030 0.03160 20 PRO A CB +312 C CG . PRO A 20 ? 1.09590 0.81900 0.58030 -0.19160 0.18950 0.05200 20 PRO A CG +313 C CD . PRO A 20 ? 1.04710 0.74900 0.50830 -0.18910 0.16160 0.06390 20 PRO A CD +321 N N . VAL A 21 ? 0.99520 0.74510 0.46880 -0.15980 0.18640 0.00070 21 VAL A N +322 C CA . VAL A 21 ? 1.03190 0.78230 0.47760 -0.16060 0.19470 -0.01210 21 VAL A CA +323 C C . VAL A 21 ? 1.06480 0.82040 0.49140 -0.17370 0.22280 -0.01720 21 VAL A C +324 O O . VAL A 21 ? 1.09760 0.86830 0.55300 -0.17400 0.24060 -0.02210 21 VAL A O +325 C CB . VAL A 21 ? 0.98230 0.74970 0.46310 -0.14460 0.19350 -0.02960 21 VAL A CB +326 C CG1 . VAL A 21 ? 1.06370 0.83060 0.51840 -0.14550 0.20260 -0.04400 21 VAL A CG1 +327 C CG2 . VAL A 21 ? 0.98990 0.75500 0.49000 -0.13290 0.16610 -0.02470 21 VAL A CG2 +337 N N . GLU A 22 ? 1.11360 0.85860 0.49150 -0.18510 0.22720 -0.01650 22 GLU A N +338 C CA . GLU A 22 ? 1.24130 0.99930 0.61630 -0.19370 0.24640 -0.02240 22 GLU A CA +339 C C . GLU A 22 ? 1.24010 1.01480 0.62800 -0.18600 0.25600 -0.04430 22 GLU A C +340 O O . GLU A 22 ? 1.28440 1.07570 0.68750 -0.18830 0.27440 -0.05430 22 GLU A O +341 C CB . GLU A 22 ? 1.32480 1.06990 0.65710 -0.20820 0.23990 -0.00680 22 GLU A CB +342 C CG . GLU A 22 ? 1.47000 1.19850 0.79350 -0.21720 0.23210 0.01650 22 GLU A CG +343 C CD . GLU A 22 ? 1.70890 1.42490 0.99290 -0.23110 0.22390 0.03410 22 GLU A CD +344 O OE1 . GLU A 22 ? 1.81190 1.53210 1.07250 -0.23330 0.22210 0.02840 22 GLU A OE1 +345 O OE2 . GLU A 22 ? 1.75770 1.46070 1.03620 -0.23980 0.21900 0.05390 22 GLU A OE2 +352 N N . VAL A 23 ? 1.20230 0.97310 0.58690 -0.17660 0.24330 -0.05190 23 VAL A N +353 C CA . VAL A 23 ? 1.22240 1.00680 0.62130 -0.16880 0.25050 -0.07210 23 VAL A CA +354 C C . VAL A 23 ? 1.12410 0.90830 0.54620 -0.15390 0.23930 -0.07960 23 VAL A C +355 O O . VAL A 23 ? 1.11770 0.88750 0.52340 -0.15160 0.21970 -0.07130 23 VAL A O +356 C CB . VAL A 23 ? 1.19840 0.97930 0.56210 -0.17580 0.24640 -0.07440 23 VAL A CB +357 C CG1 . VAL A 23 ? 1.21370 1.00730 0.59440 -0.16740 0.25320 -0.09570 23 VAL A CG1 +358 C CG2 . VAL A 23 ? 1.25750 1.04130 0.59870 -0.19110 0.25770 -0.06690 23 VAL A CG2 +368 N N . VAL A 24 ? 1.06850 0.86930 0.53000 -0.14360 0.25050 -0.09470 24 VAL A N +369 C CA . VAL A 24 ? 1.02820 0.83200 0.51580 -0.12950 0.24140 -0.10250 24 VAL A CA +370 C C . VAL A 24 ? 1.16500 0.96980 0.64660 -0.12560 0.23890 -0.11590 24 VAL A C +371 O O . VAL A 24 ? 1.23250 1.05090 0.73970 -0.12020 0.25140 -0.13020 24 VAL A O +372 C CB . VAL A 24 ? 1.08610 0.90850 0.62300 -0.12020 0.25320 -0.10900 24 VAL A CB +373 C CG1 . VAL A 24 ? 1.02530 0.85160 0.58910 -0.10600 0.24200 -0.11520 24 VAL A CG1 +374 C CG2 . VAL A 24 ? 1.06030 0.88350 0.60340 -0.12560 0.25730 -0.09620 24 VAL A CG2 +384 N N . ASP A 25 ? 1.16800 0.95890 0.61710 -0.12820 0.22210 -0.11100 25 ASP A N +385 C CA . ASP A 25 ? 1.20130 0.99280 0.64240 -0.12560 0.21830 -0.12270 25 ASP A CA +386 C C . ASP A 25 ? 1.20710 0.99620 0.66520 -0.11320 0.20260 -0.12710 25 ASP A C +387 O O . ASP A 25 ? 1.12230 0.91130 0.59940 -0.10650 0.19540 -0.12210 25 ASP A O +388 C CB . ASP A 25 ? 1.29450 1.07590 0.69110 -0.13660 0.21030 -0.11500 25 ASP A CB +389 C CG . ASP A 25 ? 1.34830 1.11410 0.72080 -0.14050 0.19160 -0.09570 25 ASP A CG +390 O OD1 . ASP A 25 ? 1.15250 0.91290 0.53700 -0.13190 0.17660 -0.09240 25 ASP A OD1 +391 O OD2 . ASP A 25 ? 1.42010 1.17950 0.76240 -0.15230 0.19140 -0.08380 25 ASP A OD2 +396 N N . ASP A 26 ? 1.19750 0.84390 0.86970 -0.12430 -0.05580 -0.12130 26 ASP A N +397 C CA . ASP A 26 ? 1.22550 0.88980 0.93280 -0.12290 -0.06750 -0.11130 26 ASP A CA +398 C C . ASP A 26 ? 1.13200 0.80670 0.84070 -0.12000 -0.07790 -0.09900 26 ASP A C +399 O O . ASP A 26 ? 1.07820 0.77310 0.81770 -0.11770 -0.08280 -0.08850 26 ASP A O +400 C CB . ASP A 26 ? 1.30920 0.96330 1.02190 -0.12760 -0.07830 -0.11820 26 ASP A CB +401 C CG . ASP A 26 ? 1.51450 1.16210 1.23500 -0.13000 -0.06900 -0.12940 26 ASP A CG +402 O OD1 . ASP A 26 ? 1.49070 1.14250 1.21360 -0.12780 -0.05450 -0.13170 26 ASP A OD1 +403 O OD2 . ASP A 26 ? 1.50130 1.13990 1.22640 -0.13400 -0.07630 -0.13640 26 ASP A OD2 +408 N N . ALA A 27 ? 1.06850 0.72930 0.74440 -0.12020 -0.08140 -0.10030 27 ALA A N +409 C CA . ALA A 27 ? 1.11390 0.78450 0.79050 -0.11670 -0.09020 -0.08910 27 ALA A CA +410 C C . ALA A 27 ? 1.05130 0.74080 0.74160 -0.11210 -0.07900 -0.08030 27 ALA A C +411 O O . ALA A 27 ? 1.01460 0.72190 0.72400 -0.10910 -0.08540 -0.06940 27 ALA A O +412 C CB . ALA A 27 ? 1.09820 0.74770 0.73450 -0.11750 -0.09580 -0.09260 27 ALA A CB +418 N N . VAL A 28 ? 0.97190 0.65840 0.65300 -0.11160 -0.06230 -0.08570 28 VAL A N +419 C CA . VAL A 28 ? 0.93470 0.64060 0.63140 -0.10730 -0.05120 -0.07830 28 VAL A CA +420 C C . VAL A 28 ? 0.93180 0.66020 0.66950 -0.10600 -0.05200 -0.07180 28 VAL A C +421 O O . VAL A 28 ? 0.86000 0.60900 0.61860 -0.10280 -0.05290 -0.06080 28 VAL A O +422 C CB . VAL A 28 ? 0.89720 0.59400 0.57400 -0.10730 -0.03300 -0.08710 28 VAL A CB +423 C CG1 . VAL A 28 ? 0.79280 0.51150 0.49030 -0.10300 -0.02110 -0.08090 28 VAL A CG1 +424 C CG2 . VAL A 28 ? 0.99440 0.67060 0.63040 -0.10830 -0.03160 -0.09080 28 VAL A CG2 +434 N N . ARG A 29 ? 0.93040 0.65440 0.67990 -0.10860 -0.05180 -0.07830 29 ARG A N +435 C CA . ARG A 29 ? 0.94980 0.69260 0.73680 -0.10760 -0.05260 -0.07210 29 ARG A CA +436 C C . ARG A 29 ? 0.87600 0.63070 0.68390 -0.10800 -0.06760 -0.06180 29 ARG A C +437 O O . ARG A 29 ? 0.80710 0.58210 0.64440 -0.10620 -0.06750 -0.05230 29 ARG A O +438 C CB . ARG A 29 ? 1.04790 0.78060 0.84130 -0.11050 -0.05020 -0.08200 29 ARG A CB +439 C CG . ARG A 29 ? 1.15890 0.88400 0.93940 -0.10990 -0.03430 -0.09230 29 ARG A CG +440 C CD . ARG A 29 ? 1.29120 1.00530 1.07810 -0.11280 -0.03270 -0.10330 29 ARG A CD +441 N NE . ARG A 29 ? 1.31760 1.02180 1.08790 -0.11300 -0.01770 -0.11550 29 ARG A NE +442 C CZ . ARG A 29 ? 1.38710 1.06940 1.12750 -0.11700 -0.01450 -0.12830 29 ARG A CZ +443 N NH1 . ARG A 29 ? 1.28220 0.94940 1.00570 -0.12110 -0.02570 -0.13110 29 ARG A NH1 +444 N NH2 . ARG A 29 ? 1.42280 1.09840 1.15000 -0.11710 0.00060 -0.13890 29 ARG A NH2 +458 N N . GLN A 30 ? 0.81220 0.55490 0.60550 -0.11040 -0.08030 -0.06380 30 GLN A N +459 C CA . GLN A 30 ? 0.81640 0.57070 0.62920 -0.11080 -0.09470 -0.05520 30 GLN A CA +460 C C . GLN A 30 ? 0.82580 0.59720 0.64430 -0.10700 -0.09410 -0.04440 30 GLN A C +461 O O . GLN A 30 ? 0.78180 0.57260 0.62880 -0.10640 -0.09890 -0.03500 30 GLN A O +462 C CB . GLN A 30 ? 0.87990 0.61680 0.67380 -0.11390 -0.10870 -0.06110 30 GLN A CB +463 C CG . GLN A 30 ? 1.01650 0.76500 0.83160 -0.11460 -0.12420 -0.05390 30 GLN A CG +464 C CD . GLN A 30 ? 1.11520 0.87760 0.96700 -0.11660 -0.12540 -0.04980 30 GLN A CD +465 O OE1 . GLN A 30 ? 1.20010 0.95360 1.05620 -0.11950 -0.12400 -0.05660 30 GLN A OE1 +466 N NE2 . GLN A 30 ? 1.03170 0.81580 0.91000 -0.11510 -0.12750 -0.03870 30 GLN A NE2 +475 N N . LEU A 31 ? 0.71080 0.47490 0.50260 -0.10460 -0.08780 -0.04610 31 LEU A N +476 C CA . LEU A 31 ? 0.70940 0.48930 0.50590 -0.10070 -0.08540 -0.03680 31 LEU A CA +477 C C . LEU A 31 ? 0.76420 0.56580 0.58690 -0.09860 -0.07390 -0.03050 31 LEU A C +478 O O . LEU A 31 ? 0.67410 0.49630 0.51900 -0.09690 -0.07600 -0.02060 31 LEU A O +479 C CB . LEU A 31 ? 0.80010 0.56520 0.56120 -0.09890 -0.07900 -0.04080 31 LEU A CB +480 C CG . LEU A 31 ? 0.78390 0.56410 0.54800 -0.09460 -0.07300 -0.03270 31 LEU A CG +481 C CD1 . LEU A 31 ? 0.78750 0.58030 0.56740 -0.09350 -0.08730 -0.02390 31 LEU A CD1 +482 C CD2 . LEU A 31 ? 0.87480 0.63820 0.60280 -0.09320 -0.06460 -0.03750 31 LEU A CD2 +494 N N . ILE A 32 ? 0.70260 0.49980 0.52250 -0.09860 -0.06140 -0.03670 32 ILE A N +495 C CA . ILE A 32 ? 0.70320 0.52010 0.54750 -0.09630 -0.05110 -0.03140 32 ILE A CA +496 C C . ILE A 32 ? 0.71160 0.54410 0.58960 -0.09760 -0.05920 -0.02320 32 ILE A C +497 O O . ILE A 32 ? 0.65190 0.50580 0.55160 -0.09580 -0.05710 -0.01350 32 ILE A O +498 C CB . ILE A 32 ? 0.66190 0.46950 0.49840 -0.09620 -0.03840 -0.04120 32 ILE A CB +499 C CG1 . ILE A 32 ? 0.71980 0.51760 0.52680 -0.09460 -0.02690 -0.04740 32 ILE A CG1 +500 C CG2 . ILE A 32 ? 0.66380 0.48990 0.52830 -0.09410 -0.03090 -0.03640 32 ILE A CG2 +501 C CD1 . ILE A 32 ? 0.81440 0.59700 0.60680 -0.09580 -0.01590 -0.06030 32 ILE A CD1 +513 N N . ASP A 33 ? 0.62750 0.44930 0.51010 -0.10130 -0.06860 -0.02720 33 ASP A N +514 C CA . ASP A 33 ? 0.65670 0.49150 0.57090 -0.10320 -0.07600 -0.01980 33 ASP A CA +515 C C . ASP A 33 ? 0.66780 0.51800 0.59480 -0.10320 -0.08490 -0.01000 33 ASP A C +516 O O . ASP A 33 ? 0.60890 0.47790 0.56290 -0.10340 -0.08500 -0.00080 33 ASP A O +517 C CB . ASP A 33 ? 0.72160 0.54070 0.63670 -0.10740 -0.08480 -0.02680 33 ASP A CB +518 C CG . ASP A 33 ? 0.80450 0.61900 0.72850 -0.10770 -0.07710 -0.03160 33 ASP A CG +519 O OD1 . ASP A 33 ? 0.73840 0.56700 0.67820 -0.10500 -0.06820 -0.02610 33 ASP A OD1 +520 O OD2 . ASP A 33 ? 0.78200 0.57930 0.69850 -0.11060 -0.08040 -0.04110 33 ASP A OD2 +525 N N . ASP A 34 ? 0.64900 0.49100 0.55690 -0.10300 -0.09250 -0.01210 34 ASP A N +526 C CA . ASP A 34 ? 0.62560 0.48290 0.54650 -0.10250 -0.10070 -0.00370 34 ASP A CA +527 C C . ASP A 34 ? 0.59910 0.47500 0.52630 -0.09880 -0.09040 0.00370 34 ASP A C +528 O O . ASP A 34 ? 0.56250 0.45830 0.51300 -0.09890 -0.09310 0.01250 34 ASP A O +529 C CB . ASP A 34 ? 0.68850 0.53210 0.58700 -0.10240 -0.11210 -0.00790 34 ASP A CB +530 C CG . ASP A 34 ? 0.81200 0.63980 0.70690 -0.10640 -0.12410 -0.01500 34 ASP A CG +531 O OD1 . ASP A 34 ? 0.73840 0.57110 0.65650 -0.10960 -0.12690 -0.01390 34 ASP A OD1 +532 O OD2 . ASP A 34 ? 0.83600 0.64590 0.70430 -0.10640 -0.13090 -0.02150 34 ASP A OD2 +537 N N . MET A 35 ? 0.58270 0.45280 0.48990 -0.09590 -0.07830 -0.00010 35 MET A N +538 C CA . MET A 35 ? 0.57540 0.46340 0.48890 -0.09240 -0.06770 0.00600 35 MET A CA +539 C C . MET A 35 ? 0.53010 0.43800 0.47330 -0.09270 -0.06190 0.01300 35 MET A C +540 O O . MET A 35 ? 0.52580 0.45460 0.48640 -0.09170 -0.05980 0.02150 35 MET A O +541 C CB . MET A 35 ? 0.58480 0.46140 0.47140 -0.08970 -0.05500 -0.00080 35 MET A CB +542 C CG . MET A 35 ? 0.66980 0.52900 0.52590 -0.08900 -0.05920 -0.00540 35 MET A CG +543 S SD . MET A 35 ? 0.67680 0.52030 0.50020 -0.08700 -0.04320 -0.01430 35 MET A SD +544 C CE . MET A 35 ? 0.63520 0.50490 0.47580 -0.08310 -0.03010 -0.00690 35 MET A CE +554 N N . PHE A 36 ? 0.53360 0.43520 0.48310 -0.09430 -0.05970 0.00960 36 PHE A N +555 C CA . PHE A 36 ? 0.55340 0.47170 0.52990 -0.09450 -0.05520 0.01670 36 PHE A CA +556 C C . PHE A 36 ? 0.56660 0.49840 0.56830 -0.09770 -0.06520 0.02560 36 PHE A C +557 O O . PHE A 36 ? 0.51140 0.46380 0.53260 -0.09740 -0.06170 0.03460 36 PHE A O +558 C CB . PHE A 36 ? 0.52310 0.42930 0.50110 -0.09530 -0.05240 0.01070 36 PHE A CB +559 C CG . PHE A 36 ? 0.58300 0.48610 0.54900 -0.09180 -0.03890 0.00470 36 PHE A CG +560 C CD1 . PHE A 36 ? 0.55560 0.47720 0.53280 -0.08850 -0.02890 0.01030 36 PHE A CD1 +561 C CD2 . PHE A 36 ? 0.56580 0.44790 0.51010 -0.09200 -0.03600 -0.00730 36 PHE A CD2 +562 C CE1 . PHE A 36 ? 0.59070 0.51040 0.55830 -0.08520 -0.01660 0.00390 36 PHE A CE1 +563 C CE2 . PHE A 36 ? 0.57770 0.45730 0.51250 -0.08900 -0.02310 -0.01390 36 PHE A CE2 +564 C CZ . PHE A 36 ? 0.58110 0.47990 0.52810 -0.08540 -0.01350 -0.00840 36 PHE A CZ +574 N N . GLU A 37 ? 0.52670 0.44710 0.52830 -0.10120 -0.07740 0.02260 37 GLU A N +575 C CA . GLU A 37 ? 0.58330 0.51570 0.60850 -0.10470 -0.08720 0.02970 37 GLU A CA +576 C C . GLU A 37 ? 0.52870 0.47940 0.56030 -0.10340 -0.08740 0.03640 37 GLU A C +577 O O . GLU A 37 ? 0.49340 0.46320 0.54920 -0.10520 -0.08710 0.04490 37 GLU A O +578 C CB . GLU A 37 ? 0.63820 0.55460 0.65810 -0.10810 -0.10070 0.02350 37 GLU A CB +579 C CG . GLU A 37 ? 0.72840 0.65420 0.77590 -0.11280 -0.10950 0.02880 37 GLU A CG +580 C CD . GLU A 37 ? 0.84120 0.75210 0.88470 -0.11620 -0.12310 0.02180 37 GLU A CD +581 O OE1 . GLU A 37 ? 0.73510 0.62590 0.75600 -0.11560 -0.12470 0.01250 37 GLU A OE1 +582 O OE2 . GLU A 37 ? 0.69650 0.61630 0.75990 -0.11970 -0.13200 0.02520 37 GLU A OE2 +589 N N . THR A 38 ? 0.51740 0.46190 0.52740 -0.10040 -0.08810 0.03250 38 THR A N +590 C CA . THR A 38 ? 0.53240 0.49310 0.54760 -0.09860 -0.08820 0.03800 38 THR A CA +591 C C . THR A 38 ? 0.52510 0.50560 0.55240 -0.09670 -0.07510 0.04460 38 THR A C +592 O O . THR A 38 ? 0.48940 0.49050 0.53750 -0.09780 -0.07510 0.05220 38 THR A O +593 C CB . THR A 38 ? 0.51240 0.45970 0.49910 -0.09520 -0.08990 0.03230 38 THR A CB +594 O OG1 . THR A 38 ? 0.60980 0.53710 0.58240 -0.09690 -0.10210 0.02550 38 THR A OG1 +595 C CG2 . THR A 38 ? 0.54330 0.50650 0.53700 -0.09330 -0.09190 0.03760 38 THR A CG2 +603 N N . MET A 39 ? 0.49650 0.47140 0.51100 -0.09410 -0.06370 0.04130 39 MET A N +604 C CA . MET A 39 ? 0.46220 0.45520 0.48630 -0.09180 -0.05100 0.04640 39 MET A CA +605 C C . MET A 39 ? 0.49220 0.50120 0.54460 -0.09480 -0.05090 0.05480 39 MET A C +606 O O . MET A 39 ? 0.48320 0.51350 0.55190 -0.09500 -0.04700 0.06240 39 MET A O +607 C CB . MET A 39 ? 0.48550 0.46670 0.49100 -0.08870 -0.04020 0.03930 39 MET A CB +608 C CG . MET A 39 ? 0.47720 0.47550 0.48910 -0.08560 -0.02660 0.04270 39 MET A CG +609 S SD . MET A 39 ? 0.52510 0.51100 0.52420 -0.08290 -0.01550 0.03410 39 MET A SD +610 C CE . MET A 39 ? 0.48550 0.47260 0.50700 -0.08540 -0.02000 0.03830 39 MET A CE +620 N N . TYR A 40 ? 0.49390 0.49240 0.55200 -0.09730 -0.05490 0.05340 40 TYR A N +621 C CA . TYR A 40 ? 0.51810 0.52960 0.60140 -0.10020 -0.05440 0.06180 40 TYR A CA +622 C C . TYR A 40 ? 0.54610 0.57230 0.64950 -0.10450 -0.06180 0.06890 40 TYR A C +623 O O . TYR A 40 ? 0.46240 0.50590 0.58580 -0.10660 -0.05830 0.07750 40 TYR A O +624 C CB . TYR A 40 ? 0.52110 0.51660 0.60690 -0.10240 -0.05840 0.05860 40 TYR A CB +625 C CG . TYR A 40 ? 0.46040 0.44530 0.53430 -0.09870 -0.05000 0.05290 40 TYR A CG +626 C CD1 . TYR A 40 ? 0.43650 0.43430 0.51470 -0.09530 -0.03900 0.05670 40 TYR A CD1 +627 C CD2 . TYR A 40 ? 0.51860 0.48120 0.57790 -0.09890 -0.05330 0.04310 40 TYR A CD2 +628 C CE1 . TYR A 40 ? 0.48420 0.47280 0.55330 -0.09180 -0.03180 0.05050 40 TYR A CE1 +629 C CE2 . TYR A 40 ? 0.56490 0.51790 0.61480 -0.09580 -0.04550 0.03680 40 TYR A CE2 +630 C CZ . TYR A 40 ? 0.60500 0.57100 0.66020 -0.09220 -0.03500 0.04030 40 TYR A CZ +631 O OH . TYR A 40 ? 0.58020 0.53690 0.62780 -0.08900 -0.02790 0.03290 40 TYR A OH +641 N N . GLU A 41 ? 0.48420 0.50360 0.58280 -0.10590 -0.07210 0.06510 41 GLU A N +642 C CA . GLU A 41 ? 0.62750 0.66030 0.74660 -0.11000 -0.07990 0.07020 41 GLU A CA +643 C C . GLU A 41 ? 0.55500 0.60750 0.67910 -0.10840 -0.07590 0.07440 41 GLU A C +644 O O . GLU A 41 ? 0.52340 0.59280 0.66930 -0.11210 -0.07840 0.08020 41 GLU A O +645 C CB . GLU A 41 ? 0.63170 0.64970 0.74500 -0.11190 -0.09360 0.06370 41 GLU A CB +646 C CG . GLU A 41 ? 0.90610 0.93560 1.04350 -0.11710 -0.10300 0.06730 41 GLU A CG +647 C CD . GLU A 41 ? 1.14480 1.17390 1.30150 -0.12260 -0.10440 0.07080 41 GLU A CD +648 O OE1 . GLU A 41 ? 1.02680 1.04240 1.17600 -0.12200 -0.10100 0.06890 41 GLU A OE1 +649 O OE2 . GLU A 41 ? 1.33580 1.37760 1.51550 -0.12750 -0.10870 0.07530 41 GLU A OE2 +656 N N . ALA A 42 ? 0.45650 0.50720 0.56180 -0.10330 -0.06920 0.07130 42 ALA A N +657 C CA . ALA A 42 ? 0.50640 0.57430 0.61550 -0.10140 -0.06590 0.07420 42 ALA A CA +658 C C . ALA A 42 ? 0.47220 0.56550 0.60560 -0.10390 -0.05870 0.08320 42 ALA A C +659 O O . ALA A 42 ? 0.45060 0.55930 0.60050 -0.10640 -0.06250 0.08660 42 ALA A O +660 C CB . ALA A 42 ? 0.48350 0.54450 0.56810 -0.09570 -0.05740 0.06950 42 ALA A CB +666 N N . PRO A 43 ? 0.41460 0.51390 0.55090 -0.10340 -0.04850 0.08690 43 PRO A N +667 C CA . PRO A 43 ? 0.42430 0.51060 0.54440 -0.09980 -0.04160 0.08310 43 PRO A CA +668 C C . PRO A 43 ? 0.42530 0.51550 0.53000 -0.09450 -0.03080 0.08010 43 PRO A C +669 O O . PRO A 43 ? 0.42670 0.53510 0.53840 -0.09370 -0.02580 0.08360 43 PRO A O +670 C CB . PRO A 43 ? 0.48400 0.57990 0.62140 -0.10240 -0.03710 0.09040 43 PRO A CB +671 C CG . PRO A 43 ? 0.44660 0.56820 0.60270 -0.10480 -0.03360 0.09820 43 PRO A CG +672 C CD . PRO A 43 ? 0.44190 0.56450 0.60110 -0.10660 -0.04300 0.09600 43 PRO A CD +680 N N . GLY A 44 ? 0.37690 0.45000 0.46120 -0.09100 -0.02670 0.07290 44 GLY A N +681 C CA . GLY A 44 ? 0.44560 0.52120 0.51570 -0.08630 -0.01500 0.06920 44 GLY A CA +682 C C . GLY A 44 ? 0.43400 0.49790 0.49500 -0.08410 -0.00890 0.06440 44 GLY A C +683 O O . GLY A 44 ? 0.44790 0.50030 0.51230 -0.08620 -0.01450 0.06370 44 GLY A O +687 N N . ILE A 45 ? 0.40690 0.47430 0.45760 -0.08000 0.00280 0.06050 45 ILE A N +688 C CA . ILE A 45 ? 0.43070 0.48800 0.47360 -0.07760 0.00920 0.05460 45 ILE A CA +689 C C . ILE A 45 ? 0.44200 0.47780 0.45840 -0.07550 0.01200 0.04330 45 ILE A C +690 O O . ILE A 45 ? 0.48160 0.50720 0.49040 -0.07370 0.01740 0.03640 45 ILE A O +691 C CB . ILE A 45 ? 0.42180 0.49820 0.47360 -0.07450 0.02090 0.05730 45 ILE A CB +692 C CG1 . ILE A 45 ? 0.44700 0.53370 0.49030 -0.07180 0.02990 0.05510 45 ILE A CG1 +693 C CG2 . ILE A 45 ? 0.40050 0.49560 0.47680 -0.07710 0.01800 0.06870 45 ILE A CG2 +694 C CD1 . ILE A 45 ? 0.51540 0.62060 0.56640 -0.06860 0.04170 0.05620 45 ILE A CD1 +706 N N . GLY A 46 ? 0.45100 0.47910 0.45310 -0.07580 0.00840 0.04080 46 GLY A N +707 C CA . GLY A 46 ? 0.43950 0.44510 0.41400 -0.07460 0.01040 0.03050 46 GLY A CA +708 C C . GLY A 46 ? 0.46550 0.46120 0.42890 -0.07610 0.00030 0.03070 46 GLY A C +709 O O . GLY A 46 ? 0.48740 0.49630 0.46530 -0.07730 -0.00630 0.03810 46 GLY A O +713 N N . LEU A 47 ? 0.51850 0.49020 0.45570 -0.07610 -0.00110 0.02200 47 LEU A N +714 C CA . LEU A 47 ? 0.49690 0.45690 0.41960 -0.07680 -0.01090 0.02150 47 LEU A CA +715 C C . LEU A 47 ? 0.59880 0.53420 0.48820 -0.07600 -0.00630 0.01150 47 LEU A C +716 O O . LEU A 47 ? 0.56200 0.48380 0.44170 -0.07680 -0.00210 0.00400 47 LEU A O +717 C CB . LEU A 47 ? 0.52430 0.47850 0.45640 -0.08030 -0.02630 0.02380 47 LEU A CB +718 C CG . LEU A 47 ? 0.48980 0.43840 0.41540 -0.08080 -0.03890 0.02540 47 LEU A CG +719 C CD1 . LEU A 47 ? 0.56230 0.53490 0.50820 -0.07980 -0.03910 0.03390 47 LEU A CD1 +720 C CD2 . LEU A 47 ? 0.58610 0.52490 0.51740 -0.08440 -0.05360 0.02460 47 LEU A CD2 +732 N N . ALA A 48 ? 0.50760 0.43700 0.38000 -0.07450 -0.00720 0.01120 48 ALA A N +733 C CA . ALA A 48 ? 0.62200 0.52620 0.45990 -0.07430 -0.00430 0.00280 48 ALA A CA +734 C C . ALA A 48 ? 0.60010 0.48690 0.42400 -0.07580 -0.02010 0.00250 48 ALA A C +735 O O . ALA A 48 ? 0.59480 0.49190 0.43330 -0.07560 -0.03120 0.00940 48 ALA A O +736 C CB . ALA A 48 ? 0.60620 0.51420 0.43240 -0.07130 0.00690 0.00270 48 ALA A CB +742 N N . ALA A 49 ? 0.61390 0.47450 0.40960 -0.07740 -0.02120 -0.00610 49 ALA A N +743 C CA . ALA A 49 ? 0.67220 0.51540 0.45320 -0.07890 -0.03680 -0.00700 49 ALA A CA +744 C C . ALA A 49 ? 0.70750 0.55080 0.47990 -0.07620 -0.04320 -0.00200 49 ALA A C +745 O O . ALA A 49 ? 0.65060 0.49190 0.42640 -0.07650 -0.05890 0.00110 49 ALA A O +746 C CB . ALA A 49 ? 0.69180 0.50610 0.44020 -0.08130 -0.03480 -0.01770 49 ALA A CB +752 N N . THR A 50 ? 0.63260 0.47790 0.39440 -0.07350 -0.03150 -0.00170 50 THR A N +753 C CA . THR A 50 ? 0.62390 0.47090 0.38030 -0.07050 -0.03650 0.00350 50 THR A CA +754 C C . THR A 50 ? 0.64920 0.51930 0.43850 -0.06970 -0.04820 0.01210 50 THR A C +755 O O . THR A 50 ? 0.65850 0.52540 0.44510 -0.06810 -0.06080 0.01520 50 THR A O +756 C CB . THR A 50 ? 0.74850 0.60240 0.49970 -0.06790 -0.01980 0.00360 50 THR A CB +757 O OG1 . THR A 50 ? 0.74450 0.57780 0.46700 -0.06930 -0.00780 -0.00520 50 THR A OG1 +758 C CG2 . THR A 50 ? 0.66750 0.52050 0.41100 -0.06460 -0.02420 0.00830 50 THR A CG2 +766 N N . GLN A 51 ? 0.63930 0.53250 0.46000 -0.07090 -0.04420 0.01580 51 GLN A N +767 C CA . GLN A 51 ? 0.53230 0.44880 0.38510 -0.07100 -0.05300 0.02370 51 GLN A CA +768 C C . GLN A 51 ? 0.59330 0.50330 0.45200 -0.07330 -0.07100 0.02380 51 GLN A C +769 O O . GLN A 51 ? 0.61650 0.54170 0.49720 -0.07320 -0.08070 0.02920 51 GLN A O +770 C CB . GLN A 51 ? 0.53500 0.47600 0.41730 -0.07220 -0.04350 0.02760 51 GLN A CB +771 C CG . GLN A 51 ? 0.57110 0.52400 0.45340 -0.06980 -0.02650 0.02810 51 GLN A CG +772 C CD . GLN A 51 ? 0.59440 0.57060 0.50410 -0.07080 -0.01820 0.03190 51 GLN A CD +773 O OE1 . GLN A 51 ? 0.50650 0.47850 0.41400 -0.07170 -0.01120 0.02810 51 GLN A OE1 +774 N NE2 . GLN A 51 ? 0.53240 0.53320 0.46780 -0.07070 -0.01900 0.03930 51 GLN A NE2 +783 N N . VAL A 52 ? 0.60720 0.49610 0.44840 -0.07560 -0.07530 0.01740 52 VAL A N +784 C CA . VAL A 52 ? 0.63300 0.51470 0.47850 -0.07790 -0.09250 0.01640 52 VAL A CA +785 C C . VAL A 52 ? 0.65870 0.51380 0.46950 -0.07670 -0.10130 0.01130 52 VAL A C +786 O O . VAL A 52 ? 0.66260 0.50280 0.46450 -0.07890 -0.11320 0.00700 52 VAL A O +787 C CB . VAL A 52 ? 0.67640 0.55570 0.53190 -0.08200 -0.09240 0.01320 52 VAL A CB +788 C CG1 . VAL A 52 ? 0.59860 0.50470 0.48970 -0.08320 -0.08620 0.02000 52 VAL A CG1 +789 C CG2 . VAL A 52 ? 0.65110 0.51070 0.48080 -0.08270 -0.08160 0.00510 52 VAL A CG2 +799 N N . ASN A 53 ? 0.71470 0.56360 0.50580 -0.07320 -0.09570 0.01190 53 ASN A N +800 C CA . ASN A 53 ? 0.71060 0.53460 0.46750 -0.07130 -0.10380 0.00870 53 ASN A CA +801 C C . ASN A 53 ? 0.74470 0.54100 0.46940 -0.07410 -0.10200 0.00000 53 ASN A C +802 O O . ASN A 53 ? 0.79350 0.56860 0.49360 -0.07420 -0.11380 -0.00330 53 ASN A O +803 C CB . ASN A 53 ? 0.67410 0.50000 0.44020 -0.07010 -0.12410 0.01150 53 ASN A CB +804 C CG . ASN A 53 ? 0.87600 0.68200 0.61140 -0.06640 -0.13190 0.01110 53 ASN A CG +805 O OD1 . ASN A 53 ? 0.79120 0.58920 0.50630 -0.06400 -0.12100 0.01140 53 ASN A OD1 +806 N ND2 . ASN A 53 ? 0.82980 0.62780 0.56210 -0.06570 -0.15100 0.01040 53 ASN A ND2 +813 N N . VAL A 54 ? 0.74820 0.54450 0.47280 -0.07650 -0.08760 -0.00420 54 VAL A N +814 C CA . VAL A 54 ? 0.82960 0.60020 0.52350 -0.07940 -0.08290 -0.01350 54 VAL A CA +815 C C . VAL A 54 ? 0.83740 0.60360 0.51430 -0.07830 -0.06370 -0.01630 54 VAL A C +816 O O . VAL A 54 ? 0.78610 0.56980 0.48270 -0.07810 -0.05060 -0.01540 54 VAL A O +817 C CB . VAL A 54 ? 0.79300 0.56580 0.50220 -0.08340 -0.08310 -0.01790 54 VAL A CB +818 C CG1 . VAL A 54 ? 0.87880 0.62580 0.55620 -0.08640 -0.07610 -0.02860 54 VAL A CG1 +819 C CG2 . VAL A 54 ? 0.81530 0.59150 0.54110 -0.08490 -0.10170 -0.01600 54 VAL A CG2 +829 N N . HIS A 55 ? 0.81300 0.55590 0.45330 -0.07780 -0.06170 -0.01980 55 HIS A N +830 C CA . HIS A 55 ? 0.85510 0.59530 0.48030 -0.07630 -0.04420 -0.02110 55 HIS A CA +831 C C . HIS A 55 ? 0.92890 0.65100 0.53110 -0.08000 -0.03060 -0.03170 55 HIS A C +832 O O . HIS A 55 ? 0.94770 0.64610 0.51410 -0.08120 -0.02440 -0.03710 55 HIS A O +833 C CB . HIS A 55 ? 0.92620 0.65410 0.52840 -0.07310 -0.04940 -0.01730 55 HIS A CB +834 C CG . HIS A 55 ? 0.86140 0.60940 0.49050 -0.06940 -0.06240 -0.00780 55 HIS A CG +835 N ND1 . HIS A 55 ? 0.85720 0.63380 0.51830 -0.06710 -0.05550 -0.00170 55 HIS A ND1 +836 C CD2 . HIS A 55 ? 0.91180 0.65730 0.54350 -0.06810 -0.08200 -0.00420 55 HIS A CD2 +837 C CE1 . HIS A 55 ? 0.83830 0.62850 0.51990 -0.06470 -0.06960 0.00520 55 HIS A CE1 +838 N NE2 . HIS A 55 ? 0.83670 0.60870 0.50170 -0.06500 -0.08610 0.00370 55 HIS A NE2 +846 N N . LYS A 56 ? 0.86560 0.60000 0.49080 -0.08210 -0.02610 -0.03470 56 LYS A N +847 C CA . LYS A 56 ? 0.86550 0.58980 0.48000 -0.08530 -0.01240 -0.04510 56 LYS A CA +848 C C . LYS A 56 ? 0.85730 0.60650 0.50100 -0.08370 0.00130 -0.04380 56 LYS A C +849 O O . LYS A 56 ? 0.76820 0.54230 0.44420 -0.08120 -0.00300 -0.03520 56 LYS A O +850 C CB . LYS A 56 ? 0.88170 0.59550 0.49630 -0.08920 -0.02130 -0.05100 56 LYS A CB +851 C CG . LYS A 56 ? 0.95800 0.64870 0.54570 -0.09100 -0.03710 -0.05240 56 LYS A CG +852 C CD . LYS A 56 ? 1.16660 0.84130 0.74540 -0.09590 -0.04060 -0.06210 56 LYS A CD +853 C CE . LYS A 56 ? 1.21820 0.87860 0.78380 -0.09730 -0.06040 -0.06170 56 LYS A CE +854 N NZ . LYS A 56 ? 1.23840 0.88730 0.80140 -0.10210 -0.06400 -0.07090 56 LYS A NZ +868 N N . ARG A 57 ? 0.84640 0.58890 0.47900 -0.08510 0.01780 -0.05280 57 ARG A N +869 C CA . ARG A 57 ? 0.84170 0.60670 0.49800 -0.08300 0.03220 -0.05250 57 ARG A CA +870 C C . ARG A 57 ? 0.80150 0.57880 0.48560 -0.08390 0.03030 -0.05400 57 ARG A C +871 O O . ARG A 57 ? 0.77610 0.54570 0.45620 -0.08590 0.03890 -0.06380 57 ARG A O +872 C CB . ARG A 57 ? 0.83190 0.58490 0.46470 -0.08380 0.05070 -0.06210 57 ARG A CB +873 C CG . ARG A 57 ? 0.91630 0.65750 0.52260 -0.08270 0.05350 -0.05960 57 ARG A CG +874 C CD . ARG A 57 ? 0.89300 0.62640 0.48050 -0.08360 0.07390 -0.06820 57 ARG A CD +875 N NE . ARG A 57 ? 0.87830 0.63800 0.49050 -0.08000 0.08490 -0.06470 57 ARG A NE +876 C CZ . ARG A 57 ? 0.85470 0.62550 0.47190 -0.07670 0.08470 -0.05640 57 ARG A CZ +877 N NH1 . ARG A 57 ? 0.87810 0.63690 0.47890 -0.07590 0.07350 -0.05000 57 ARG A NH1 +878 N NH2 . ARG A 57 ? 0.83570 0.63090 0.47560 -0.07390 0.09570 -0.05450 57 ARG A NH2 +892 N N . ILE A 58 ? 0.72610 0.52280 0.43950 -0.08240 0.01900 -0.04400 58 ILE A N +893 C CA . ILE A 58 ? 0.70680 0.51480 0.44780 -0.08330 0.01450 -0.04300 58 ILE A CA +894 C C . ILE A 58 ? 0.69490 0.53260 0.46950 -0.08030 0.01370 -0.03200 58 ILE A C +895 O O . ILE A 58 ? 0.68830 0.53500 0.46890 -0.07900 0.00590 -0.02340 58 ILE A O +896 C CB . ILE A 58 ? 0.72370 0.51940 0.46290 -0.08630 -0.00230 -0.04300 58 ILE A CB +897 C CG1 . ILE A 58 ? 0.79580 0.56160 0.50020 -0.08970 -0.00170 -0.05430 58 ILE A CG1 +898 C CG2 . ILE A 58 ? 0.67140 0.47850 0.44010 -0.08730 -0.00660 -0.04140 58 ILE A CG2 +899 C CD1 . ILE A 58 ? 0.86440 0.61710 0.56460 -0.09280 -0.01800 -0.05540 58 ILE A CD1 +911 N N . VAL A 59 ? 0.62840 0.48080 0.42430 -0.07930 0.02180 -0.03260 59 VAL A N +912 C CA . VAL A 59 ? 0.64740 0.52770 0.47520 -0.07700 0.02190 -0.02260 59 VAL A CA +913 C C . VAL A 59 ? 0.67810 0.56460 0.52890 -0.07800 0.01810 -0.02170 59 VAL A C +914 O O . VAL A 59 ? 0.63540 0.51090 0.48110 -0.07880 0.02330 -0.03060 59 VAL A O +915 C CB . VAL A 59 ? 0.69340 0.58820 0.52380 -0.07370 0.03770 -0.02340 59 VAL A CB +916 C CG1 . VAL A 59 ? 0.65380 0.57740 0.51720 -0.07170 0.03870 -0.01410 59 VAL A CG1 +917 C CG2 . VAL A 59 ? 0.66150 0.55210 0.47250 -0.07260 0.04070 -0.02250 59 VAL A CG2 +927 N N . VAL A 60 ? 0.58280 0.48680 0.45960 -0.07820 0.00940 -0.01110 60 VAL A N +928 C CA . VAL A 60 ? 0.54560 0.45740 0.44650 -0.07900 0.00620 -0.00830 60 VAL A CA +929 C C . VAL A 60 ? 0.56770 0.50670 0.49360 -0.07670 0.01090 0.00130 60 VAL A C +930 O O . VAL A 60 ? 0.49370 0.44590 0.42150 -0.07540 0.01270 0.00700 60 VAL A O +931 C CB . VAL A 60 ? 0.54540 0.45040 0.45420 -0.08260 -0.00930 -0.00490 60 VAL A CB +932 C CG1 . VAL A 60 ? 0.54180 0.41960 0.42450 -0.08500 -0.01370 -0.01530 60 VAL A CG1 +933 C CG2 . VAL A 60 ? 0.54150 0.45900 0.45990 -0.08310 -0.01810 0.00470 60 VAL A CG2 +943 N N . MET A 61 ? 0.53450 0.48130 0.47960 -0.07630 0.01240 0.00320 61 MET A N +944 C CA . MET A 61 ? 0.52300 0.49430 0.48990 -0.07400 0.01790 0.01140 61 MET A CA +945 C C . MET A 61 ? 0.48300 0.45800 0.47100 -0.07470 0.01390 0.01530 61 MET A C +946 O O . MET A 61 ? 0.50790 0.46660 0.49200 -0.07560 0.01170 0.00850 61 MET A O +947 C CB . MET A 61 ? 0.53030 0.50720 0.48890 -0.07010 0.03290 0.00520 61 MET A CB +948 C CG . MET A 61 ? 0.69760 0.69750 0.66540 -0.06780 0.03960 0.01180 61 MET A CG +949 S SD . MET A 61 ? 0.67700 0.68020 0.63520 -0.06350 0.05720 0.00160 61 MET A SD +950 C CE . MET A 61 ? 0.58730 0.57190 0.51390 -0.06420 0.06160 -0.00710 61 MET A CE +960 N N . ASP A 62 ? 0.32510 0.39160 0.54550 -0.05780 0.00650 0.00000 62 ASP A N +961 C CA . ASP A 62 ? 0.37790 0.39810 0.53640 -0.04480 -0.01220 -0.00610 62 ASP A CA +962 C C . ASP A 62 ? 0.44220 0.44910 0.58290 -0.02610 -0.02520 -0.01910 62 ASP A C +963 O O . ASP A 62 ? 0.43290 0.43980 0.55270 -0.03320 -0.01620 -0.00630 62 ASP A O +964 C CB . ASP A 62 ? 0.45700 0.44990 0.55390 -0.06200 -0.00440 0.01810 62 ASP A CB +965 C CG . ASP A 62 ? 0.54150 0.48720 0.57860 -0.04940 -0.02360 0.01140 62 ASP A CG +966 O OD1 . ASP A 62 ? 0.53210 0.46260 0.56520 -0.02660 -0.04310 -0.01040 62 ASP A OD1 +967 O OD2 . ASP A 62 ? 0.49520 0.41910 0.48970 -0.06230 -0.01930 0.02780 62 ASP A OD2 +972 N N . LEU A 63 ? 0.42480 0.42140 0.57540 -0.00250 -0.04580 -0.04470 63 LEU A N +973 C CA . LEU A 63 ? 0.42420 0.40740 0.55970 0.01750 -0.06000 -0.05960 63 LEU A CA +974 C C . LEU A 63 ? 0.57000 0.50340 0.63750 0.03150 -0.07950 -0.06540 63 LEU A C +975 O O . LEU A 63 ? 0.56770 0.48570 0.62330 0.05220 -0.09620 -0.08290 63 LEU A O +976 C CB . LEU A 63 ? 0.42590 0.43470 0.62330 0.03520 -0.06950 -0.08520 63 LEU A CB +977 C CG . LEU A 63 ? 0.44390 0.50230 0.71400 0.02390 -0.05240 -0.08310 63 LEU A CG +978 C CD1 . LEU A 63 ? 0.52650 0.60570 0.85230 0.04420 -0.06420 -0.11040 63 LEU A CD1 +979 C CD2 . LEU A 63 ? 0.47350 0.55230 0.74720 0.00770 -0.03300 -0.06400 63 LEU A CD2 +991 N N . SER A 64 ? 0.53570 0.44390 0.55890 0.02060 -0.07760 -0.05120 64 SER A N +992 C CA . SER A 64 ? 0.67170 0.53190 0.62700 0.03130 -0.09420 -0.05380 64 SER A CA +993 C C . SER A 64 ? 0.67520 0.51450 0.57410 0.02270 -0.08720 -0.03500 64 SER A C +994 O O . SER A 64 ? 0.65070 0.50740 0.55280 0.00210 -0.06700 -0.01380 64 SER A O +995 C CB . SER A 64 ? 0.65920 0.50190 0.59490 0.02400 -0.09600 -0.04820 64 SER A CB +996 O OG . SER A 64 ? 0.65970 0.50640 0.57800 -0.00140 -0.07620 -0.02120 64 SER A OG +1002 N N . GLU A 65 ? 0.71410 0.51520 0.56050 0.03900 -0.10420 -0.04330 65 GLU A N +1003 C CA . GLU A 65 ? 0.78610 0.56360 0.57480 0.03230 -0.09900 -0.02660 65 GLU A CA +1004 C C . GLU A 65 ? 0.85230 0.60750 0.59240 0.01350 -0.08980 -0.00380 65 GLU A C +1005 O O . GLU A 65 ? 0.98090 0.72890 0.68690 -0.00010 -0.07740 0.01600 65 GLU A O +1006 C CB . GLU A 65 ? 0.78140 0.52370 0.52830 0.05630 -0.12060 -0.04320 65 GLU A CB +1007 C CG . GLU A 65 ? 0.78960 0.55390 0.58580 0.07570 -0.13060 -0.06690 65 GLU A CG +1008 C CD . GLU A 65 ? 1.11400 0.84560 0.87240 0.09990 -0.15200 -0.08410 65 GLU A CD +1009 O OE1 . GLU A 65 ? 1.21360 0.90590 0.90510 0.10090 -0.15750 -0.07590 65 GLU A OE1 +1010 O OE2 . GLU A 65 ? 1.06370 0.80920 0.86000 0.11810 -0.16330 -0.10600 65 GLU A OE2 +1017 N N . ASP A 66 ? 0.84240 0.58870 0.58150 0.01170 -0.09460 -0.00570 66 ASP A N +1018 C CA . ASP A 66 ? 0.88890 0.61190 0.58100 -0.00490 -0.08750 0.01450 66 ASP A CA +1019 C C . ASP A 66 ? 0.87810 0.63030 0.60930 -0.02540 -0.07070 0.02710 66 ASP A C +1020 O O . ASP A 66 ? 0.91720 0.65150 0.61910 -0.03570 -0.06870 0.03830 66 ASP A O +1021 C CB . ASP A 66 ? 0.94330 0.62290 0.58780 0.01040 -0.10860 0.00320 66 ASP A CB +1022 C CG . ASP A 66 ? 0.94820 0.63690 0.63470 0.02550 -0.12290 -0.01990 66 ASP A CG +1023 O OD1 . ASP A 66 ? 0.88510 0.61340 0.63780 0.02500 -0.11680 -0.02790 66 ASP A OD1 +1024 O OD2 . ASP A 66 ? 0.98490 0.64100 0.63840 0.03740 -0.13980 -0.02970 66 ASP A OD2 +1029 N N . LYS A 67 ? 0.86840 0.66490 0.66460 -0.03170 -0.05840 0.02590 67 LYS A N +1030 C CA . LYS A 67 ? 0.73560 0.56200 0.57080 -0.05190 -0.04110 0.03870 67 LYS A CA +1031 C C . LYS A 67 ? 0.74480 0.56190 0.58640 -0.04770 -0.05080 0.02950 67 LYS A C +1032 O O . LYS A 67 ? 0.74620 0.56750 0.58720 -0.06540 -0.03950 0.04460 67 LYS A O +1033 C CB . LYS A 67 ? 0.80670 0.62900 0.60750 -0.07670 -0.02190 0.06800 67 LYS A CB +1034 C CG . LYS A 67 ? 0.80500 0.64360 0.60800 -0.08530 -0.00790 0.08010 67 LYS A CG +1035 C CD . LYS A 67 ? 0.92100 0.75470 0.68960 -0.11020 0.01090 0.10910 67 LYS A CD +1036 C CE . LYS A 67 ? 1.02300 0.87410 0.81560 -0.12880 0.02370 0.12130 67 LYS A CE +1037 N NZ . LYS A 67 ? 1.11790 0.97740 0.89740 -0.14460 0.04180 0.14220 67 LYS A NZ +1051 N N . SER A 68 ? 0.71600 0.51990 0.56280 -0.02450 -0.07190 0.00490 68 SER A N +1052 C CA . SER A 68 ? 0.75500 0.54600 0.60360 -0.01780 -0.08370 -0.00590 68 SER A CA +1053 C C . SER A 68 ? 0.66160 0.48880 0.58380 -0.01320 -0.08350 -0.02170 68 SER A C +1054 O O . SER A 68 ? 0.66410 0.48590 0.59490 -0.01030 -0.09050 -0.02920 68 SER A O +1055 C CB . SER A 68 ? 0.75090 0.50010 0.55390 0.00540 -0.10850 -0.02340 68 SER A CB +1056 O OG . SER A 68 ? 0.77560 0.53320 0.60580 0.02660 -0.12120 -0.04580 68 SER A OG +1062 N N . GLU A 69 ? 0.55430 0.41790 0.52900 -0.01280 -0.07540 -0.02650 69 GLU A N +1063 C CA . GLU A 69 ? 0.58900 0.48720 0.63510 -0.00660 -0.07600 -0.04320 69 GLU A CA +1064 C C . GLU A 69 ? 0.50870 0.45180 0.60730 -0.02530 -0.05280 -0.03000 69 GLU A C +1065 O O . GLU A 69 ? 0.46570 0.43910 0.61550 -0.01890 -0.05080 -0.04120 69 GLU A O +1066 C CB . GLU A 69 ? 0.56720 0.46480 0.63240 0.01930 -0.09430 -0.06990 69 GLU A CB +1067 C CG . GLU A 69 ? 0.80330 0.65950 0.82560 0.04000 -0.11880 -0.08650 69 GLU A CG +1068 C CD . GLU A 69 ? 0.99890 0.84740 1.02790 0.04070 -0.12540 -0.09270 69 GLU A CD +1069 O OE1 . GLU A 69 ? 0.91720 0.79810 1.00180 0.03310 -0.11600 -0.09420 69 GLU A OE1 +1070 O OE2 . GLU A 69 ? 1.13850 0.94810 1.11630 0.04890 -0.14000 -0.09590 69 GLU A OE2 +1077 N N . PRO A 70 ? 0.50970 0.45840 0.59820 -0.04860 -0.03520 -0.00650 70 PRO A N +1078 C CA . PRO A 70 ? 0.45490 0.44750 0.59780 -0.06640 -0.01350 0.00500 70 PRO A CA +1079 C C . PRO A 70 ? 0.43350 0.45490 0.64280 -0.05960 -0.01590 -0.01260 70 PRO A C +1080 O O . PRO A 70 ? 0.45820 0.46610 0.66640 -0.05210 -0.02720 -0.02330 70 PRO A O +1081 C CB . PRO A 70 ? 0.49730 0.48280 0.60990 -0.09050 0.00180 0.03120 70 PRO A CB +1082 C CG . PRO A 70 ? 0.51090 0.45610 0.57480 -0.08290 -0.01370 0.02700 70 PRO A CG +1083 C CD . PRO A 70 ? 0.50320 0.42010 0.53550 -0.05940 -0.03460 0.00920 70 PRO A CD +1091 N N . ARG A 71 ? 0.48500 0.58710 0.53100 -0.04860 -0.00640 0.02160 71 ARG A N +1092 C CA . ARG A 71 ? 0.48190 0.58930 0.53960 -0.05550 0.00210 0.01320 71 ARG A CA +1093 C C . ARG A 71 ? 0.46530 0.55680 0.51060 -0.06340 0.01140 0.01500 71 ARG A C +1094 O O . ARG A 71 ? 0.48450 0.56500 0.51510 -0.06550 0.01030 0.02030 71 ARG A O +1095 C CB . ARG A 71 ? 0.50990 0.63180 0.58120 -0.05730 -0.00140 0.00610 71 ARG A CB +1096 C CG . ARG A 71 ? 0.47510 0.61440 0.56140 -0.05010 -0.01010 0.00250 71 ARG A CG +1097 C CD . ARG A 71 ? 0.55400 0.70260 0.65560 -0.04820 -0.00640 -0.00180 71 ARG A CD +1098 N NE . ARG A 71 ? 0.55000 0.69700 0.65790 -0.05580 0.00480 -0.00610 71 ARG A NE +1099 C CZ . ARG A 71 ? 0.63270 0.78970 0.75560 -0.06160 0.00770 -0.01290 71 ARG A CZ +1100 N NH1 . ARG A 71 ? 0.56590 0.73490 0.69900 -0.06080 -0.00030 -0.01700 71 ARG A NH1 +1101 N NH2 . ARG A 71 ? 0.62440 0.77900 0.75220 -0.06810 0.01870 -0.01540 71 ARG A NH2 +1115 N N . VAL A 72 ? 0.46010 0.55040 0.51110 -0.06750 0.02080 0.01090 72 VAL A N +1116 C CA . VAL A 72 ? 0.44400 0.51970 0.48430 -0.07480 0.03070 0.01200 72 VAL A CA +1117 C C . VAL A 72 ? 0.44590 0.53050 0.50050 -0.08190 0.03800 0.00410 72 VAL A C +1118 O O . VAL A 72 ? 0.51800 0.61680 0.59080 -0.08070 0.03960 -0.00160 72 VAL A O +1119 C CB . VAL A 72 ? 0.53650 0.60010 0.56860 -0.07280 0.03620 0.01490 72 VAL A CB +1120 C CG1 . VAL A 72 ? 0.52780 0.57630 0.54910 -0.08020 0.04670 0.01540 72 VAL A CG1 +1121 C CG2 . VAL A 72 ? 0.51980 0.57360 0.53830 -0.06620 0.02790 0.02330 72 VAL A CG2 +1131 N N . PHE A 73 ? 0.47760 0.55390 0.52450 -0.08930 0.04240 0.00430 73 PHE A N +1132 C CA . PHE A 73 ? 0.48670 0.56900 0.54580 -0.09710 0.04970 -0.00210 73 PHE A CA +1133 C C . PHE A 73 ? 0.50380 0.56920 0.54910 -0.10350 0.06010 0.00030 73 PHE A C +1134 O O . PHE A 73 ? 0.53450 0.58770 0.56420 -0.10670 0.05950 0.00430 73 PHE A O +1135 C CB . PHE A 73 ? 0.53780 0.62810 0.60250 -0.09990 0.04320 -0.00540 73 PHE A CB +1136 C CG . PHE A 73 ? 0.47960 0.58500 0.55570 -0.09310 0.03220 -0.00760 73 PHE A CG +1137 C CD1 . PHE A 73 ? 0.51560 0.61780 0.58000 -0.08640 0.02290 -0.00230 73 PHE A CD1 +1138 C CD2 . PHE A 73 ? 0.53360 0.65660 0.63260 -0.09330 0.03120 -0.01450 73 PHE A CD2 +1139 C CE1 . PHE A 73 ? 0.48160 0.59710 0.55540 -0.07960 0.01290 -0.00410 73 PHE A CE1 +1140 C CE2 . PHE A 73 ? 0.50690 0.64330 0.61580 -0.08680 0.02070 -0.01660 73 PHE A CE2 +1141 C CZ . PHE A 73 ? 0.50970 0.64210 0.60550 -0.07990 0.01160 -0.01160 73 PHE A CZ +1151 N N . ILE A 74 ? 0.57260 0.63710 0.62330 -0.10500 0.07000 -0.00180 74 ILE A N +1152 C CA . ILE A 74 ? 0.58840 0.63700 0.62670 -0.11060 0.08080 0.00010 74 ILE A CA +1153 C C . ILE A 74 ? 0.49250 0.54920 0.54580 -0.11830 0.08910 -0.00570 74 ILE A C +1154 O O . ILE A 74 ? 0.55790 0.63120 0.63240 -0.11780 0.09040 -0.01060 74 ILE A O +1155 C CB . ILE A 74 ? 0.60310 0.64220 0.63390 -0.10580 0.08630 0.00250 74 ILE A CB +1156 C CG1 . ILE A 74 ? 0.58490 0.61200 0.59820 -0.09960 0.07790 0.00940 74 ILE A CG1 +1157 C CG2 . ILE A 74 ? 0.62070 0.64640 0.64310 -0.11140 0.09910 0.00270 74 ILE A CG2 +1158 C CD1 . ILE A 74 ? 0.63460 0.65450 0.64250 -0.09310 0.07960 0.01140 74 ILE A CD1 +1170 N N . ASN A 75 ? 0.50450 0.55000 0.54750 -0.12570 0.09430 -0.00460 75 ASN A N +1171 C CA . ASN A 75 ? 0.57610 0.62780 0.63210 -0.13390 0.10110 -0.00940 75 ASN A CA +1172 C C . ASN A 75 ? 0.56350 0.63470 0.64050 -0.13450 0.09310 -0.01460 75 ASN A C +1173 O O . ASN A 75 ? 0.57260 0.65760 0.67110 -0.13690 0.09720 -0.01920 75 ASN A O +1174 C CB . ASN A 75 ? 0.58240 0.63470 0.64650 -0.13530 0.11400 -0.01100 75 ASN A CB +1175 C CG . ASN A 75 ? 0.61700 0.64840 0.65890 -0.13480 0.12170 -0.00620 75 ASN A CG +1176 O OD1 . ASN A 75 ? 0.61640 0.63260 0.63870 -0.13680 0.11930 -0.00220 75 ASN A OD1 +1177 N ND2 . ASN A 75 ? 0.69280 0.72260 0.73700 -0.13160 0.13060 -0.00640 75 ASN A ND2 +1184 N N . PRO A 76 ? 0.52620 0.59820 0.59720 -0.13220 0.08170 -0.01370 76 PRO A N +1185 C CA . PRO A 76 ? 0.51250 0.60160 0.60160 -0.13150 0.07260 -0.01880 76 PRO A CA +1186 C C . PRO A 76 ? 0.51590 0.60850 0.61490 -0.14040 0.07450 -0.02320 76 PRO A C +1187 O O . PRO A 76 ? 0.59140 0.67130 0.67740 -0.14630 0.07870 -0.02160 76 PRO A O +1188 C CB . PRO A 76 ? 0.47540 0.56060 0.55020 -0.12550 0.06070 -0.01530 76 PRO A CB +1189 C CG . PRO A 76 ? 0.52470 0.59000 0.57530 -0.12780 0.06450 -0.00930 76 PRO A CG +1190 C CD . PRO A 76 ? 0.52370 0.58080 0.57110 -0.12950 0.07640 -0.00760 76 PRO A CD +1198 N N . GLU A 77 ? 0.49590 0.60600 0.61850 -0.14130 0.07050 -0.02880 77 GLU A N +1199 C CA . GLU A 77 ? 0.60390 0.71940 0.73860 -0.14890 0.06850 -0.03340 77 GLU A CA +1200 C C . GLU A 77 ? 0.57080 0.70120 0.72000 -0.14510 0.05530 -0.03770 77 GLU A C +1201 O O . GLU A 77 ? 0.54700 0.68780 0.70470 -0.13800 0.05140 -0.03800 77 GLU A O +1202 C CB . GLU A 77 ? 0.59370 0.71570 0.74740 -0.15610 0.08000 -0.03580 77 GLU A CB +1203 C CG . GLU A 77 ? 0.72230 0.82850 0.86090 -0.16040 0.09320 -0.03200 77 GLU A CG +1204 C CD . GLU A 77 ? 0.93120 1.04450 1.08740 -0.16370 0.10600 -0.03280 77 GLU A CD +1205 O OE1 . GLU A 77 ? 0.80590 0.93710 0.98760 -0.16340 0.10460 -0.03610 77 GLU A OE1 +1206 O OE2 . GLU A 77 ? 1.04000 1.14080 1.18450 -0.16620 0.11750 -0.02970 77 GLU A OE2 +1213 N N . PHE A 78 ? 0.49470 0.62500 0.64510 -0.14930 0.04800 -0.04090 78 PHE A N +1214 C CA . PHE A 78 ? 0.50930 0.65240 0.67300 -0.14610 0.03480 -0.04560 78 PHE A CA +1215 C C . PHE A 78 ? 0.51690 0.66540 0.69740 -0.15500 0.03290 -0.05090 78 PHE A C +1216 O O . PHE A 78 ? 0.54390 0.68270 0.71870 -0.16280 0.03920 -0.05040 78 PHE A O +1217 C CB . PHE A 78 ? 0.53810 0.67360 0.68130 -0.13890 0.02320 -0.04360 78 PHE A CB +1218 C CG . PHE A 78 ? 0.53170 0.65350 0.65790 -0.14310 0.02020 -0.04340 78 PHE A CG +1219 C CD1 . PHE A 78 ? 0.55750 0.68290 0.69180 -0.14640 0.01120 -0.04890 78 PHE A CD1 +1220 C CD2 . PHE A 78 ? 0.56290 0.66760 0.66440 -0.14330 0.02580 -0.03760 78 PHE A CD2 +1221 C CE1 . PHE A 78 ? 0.53280 0.64470 0.65020 -0.14960 0.00830 -0.04880 78 PHE A CE1 +1222 C CE2 . PHE A 78 ? 0.54020 0.63230 0.62570 -0.14660 0.02330 -0.03710 78 PHE A CE2 +1223 C CZ . PHE A 78 ? 0.57250 0.66780 0.66520 -0.14960 0.01480 -0.04280 78 PHE A CZ +1233 N N . GLU A 79 ? 0.49350 0.65760 0.69550 -0.15380 0.02370 -0.05580 79 GLU A N +1234 C CA . GLU A 79 ? 0.55890 0.73000 0.78030 -0.16170 0.01940 -0.06100 79 GLU A CA +1235 C C . GLU A 79 ? 0.51540 0.69370 0.74160 -0.15640 0.00270 -0.06530 79 GLU A C +1236 O O . GLU A 79 ? 0.56380 0.75370 0.79890 -0.14910 -0.00190 -0.06580 79 GLU A O +1237 C CB . GLU A 79 ? 0.73120 0.91710 0.98210 -0.16700 0.02830 -0.06210 79 GLU A CB +1238 C CG . GLU A 79 ? 1.08110 1.27440 1.35470 -0.17630 0.02490 -0.06650 79 GLU A CG +1239 C CD . GLU A 79 ? 1.37650 1.58460 1.67950 -0.18130 0.03540 -0.06610 79 GLU A CD +1240 O OE1 . GLU A 79 ? 1.40920 1.62070 1.71290 -0.17710 0.04590 -0.06260 79 GLU A OE1 +1241 O OE2 . GLU A 79 ? 1.16210 1.37820 1.48750 -0.18920 0.03290 -0.06880 79 GLU A OE2 +1248 N N . PRO A 80 ? 0.58990 0.76100 0.80940 -0.15940 -0.00680 -0.06840 80 PRO A N +1249 C CA . PRO A 80 ? 0.59380 0.77060 0.81690 -0.15390 -0.02320 -0.07290 80 PRO A CA +1250 C C . PRO A 80 ? 0.59460 0.79150 0.85090 -0.15550 -0.02790 -0.07730 80 PRO A C +1251 O O . PRO A 80 ? 0.61480 0.81930 0.89340 -0.16420 -0.02170 -0.07860 80 PRO A O +1252 C CB . PRO A 80 ? 0.62470 0.78840 0.83580 -0.15880 -0.03040 -0.07550 80 PRO A CB +1253 C CG . PRO A 80 ? 0.61650 0.76470 0.80810 -0.16340 -0.01820 -0.07090 80 PRO A CG +1254 C CD . PRO A 80 ? 0.56980 0.72540 0.77490 -0.16690 -0.00320 -0.06780 80 PRO A CD +1262 N N . LEU A 81 ? 0.60120 0.80660 0.86100 -0.14690 -0.03890 -0.07940 81 LEU A N +1263 C CA . LEU A 81 ? 0.62400 0.84800 0.91400 -0.14750 -0.04640 -0.08400 81 LEU A CA +1264 C C . LEU A 81 ? 0.72400 0.94650 1.01390 -0.14600 -0.06440 -0.08960 81 LEU A C +1265 O O . LEU A 81 ? 0.73410 0.97040 1.04390 -0.14350 -0.07400 -0.09350 81 LEU A O +1266 C CB . LEU A 81 ? 0.60770 0.84440 0.90520 -0.13870 -0.04520 -0.08240 81 LEU A CB +1267 C CG . LEU A 81 ? 0.61740 0.85640 0.91650 -0.13880 -0.02860 -0.07730 81 LEU A CG +1268 C CD1 . LEU A 81 ? 0.63080 0.88330 0.93960 -0.13000 -0.02970 -0.07660 81 LEU A CD1 +1269 C CD2 . LEU A 81 ? 0.62690 0.87170 0.94740 -0.14930 -0.01750 -0.07720 81 LEU A CD2 +1281 N N . THR A 82 ? 0.68210 0.88750 0.94910 -0.14700 -0.06910 -0.09020 82 THR A N +1282 C CA . THR A 82 ? 0.63860 0.83930 0.90210 -0.14550 -0.08610 -0.09560 82 THR A CA +1283 C C . THR A 82 ? 0.68660 0.86820 0.92940 -0.15070 -0.08590 -0.09550 82 THR A C +1284 O O . THR A 82 ? 0.69910 0.86930 0.92190 -0.15130 -0.07480 -0.09050 82 THR A O +1285 C CB . THR A 82 ? 0.71190 0.91110 0.95870 -0.13240 -0.09720 -0.09580 82 THR A CB +1286 O OG1 . THR A 82 ? 0.71970 0.91300 0.96220 -0.13070 -0.11380 -0.10140 82 THR A OG1 +1287 C CG2 . THR A 82 ? 0.67060 0.85530 0.88450 -0.12550 -0.09080 -0.08960 82 THR A CG2 +1295 N N . GLU A 83 ? 0.71360 0.89140 0.96100 -0.15450 -0.09860 -0.10100 83 GLU A N +1296 C CA . GLU A 83 ? 0.78260 0.94060 1.00700 -0.15730 -0.10170 -0.10170 83 GLU A CA +1297 C C . GLU A 83 ? 0.73040 0.87560 0.92490 -0.14560 -0.11310 -0.10210 83 GLU A C +1298 O O . GLU A 83 ? 0.79600 0.92340 0.96650 -0.14570 -0.11500 -0.10170 83 GLU A O +1299 C CB . GLU A 83 ? 0.96140 1.12010 1.20550 -0.16770 -0.10990 -0.10740 83 GLU A CB +1300 C CG . GLU A 83 ? 1.13940 1.27870 1.36450 -0.17380 -0.10940 -0.10770 83 GLU A CG +1301 C CD . GLU A 83 ? 1.27370 1.41540 1.52280 -0.18600 -0.11470 -0.11220 83 GLU A CD +1302 O OE1 . GLU A 83 ? 1.21510 1.37430 1.49690 -0.19010 -0.11760 -0.11430 83 GLU A OE1 +1303 O OE2 . GLU A 83 ? 1.28010 1.40600 1.51570 -0.19150 -0.11610 -0.11310 83 GLU A OE2 +1310 N N . ASP A 84 ? 0.74000 0.89370 0.93510 -0.13520 -0.12020 -0.10250 84 ASP A N +1311 C CA . ASP A 84 ? 0.78300 0.92520 0.94950 -0.12280 -0.12970 -0.10180 84 ASP A CA +1312 C C . ASP A 84 ? 0.75880 0.88880 0.89690 -0.11840 -0.11830 -0.09400 84 ASP A C +1313 O O . ASP A 84 ? 0.65760 0.79330 0.80000 -0.12020 -0.10470 -0.08880 84 ASP A O +1314 C CB . ASP A 84 ? 0.72890 0.88420 0.90380 -0.11270 -0.13820 -0.10310 84 ASP A CB +1315 C CG . ASP A 84 ? 0.78440 0.94730 0.97980 -0.11430 -0.15400 -0.11110 84 ASP A CG +1316 O OD1 . ASP A 84 ? 0.75680 0.91230 0.95590 -0.12190 -0.16030 -0.11550 84 ASP A OD1 +1317 O OD2 . ASP A 84 ? 0.79580 0.97180 1.00390 -0.10790 -0.16050 -0.11280 84 ASP A OD2 +1322 N N . MET A 85 ? 0.82370 0.93650 0.93290 -0.11250 -0.12410 -0.09300 85 MET A N +1323 C CA . MET A 85 ? 0.84670 0.94670 0.92760 -0.10760 -0.11500 -0.08520 85 MET A CA +1324 C C . MET A 85 ? 0.84450 0.94150 0.90560 -0.09250 -0.12290 -0.08220 85 MET A C +1325 O O . MET A 85 ? 0.86310 0.95650 0.91820 -0.08620 -0.13710 -0.08690 85 MET A O +1326 C CB . MET A 85 ? 0.84190 0.92340 0.90400 -0.11290 -0.11360 -0.08510 85 MET A CB +1327 C CG . MET A 85 ? 0.95760 1.04110 1.03750 -0.12760 -0.10440 -0.08690 85 MET A CG +1328 S SD . MET A 85 ? 0.88980 0.97740 0.97160 -0.13170 -0.08400 -0.07890 85 MET A SD +1329 C CE . MET A 85 ? 0.78590 0.85110 0.83020 -0.12860 -0.07850 -0.07220 85 MET A CE +1339 N N . ASP A 86 ? 0.70380 0.80190 0.75490 -0.08660 -0.11400 -0.07430 86 ASP A N +1340 C CA . ASP A 86 ? 0.67230 0.76700 0.70330 -0.07230 -0.11930 -0.06950 86 ASP A CA +1341 C C . ASP A 86 ? 0.71560 0.79580 0.71960 -0.06930 -0.11030 -0.06030 86 ASP A C +1342 O O . ASP A 86 ? 0.70910 0.78580 0.71340 -0.07760 -0.09810 -0.05680 86 ASP A O +1343 C CB . ASP A 86 ? 0.84290 0.95390 0.88850 -0.06640 -0.11880 -0.06750 86 ASP A CB +1344 C CG . ASP A 86 ? 0.91310 1.03750 0.98100 -0.06570 -0.13040 -0.07590 86 ASP A CG +1345 O OD1 . ASP A 86 ? 0.95860 1.07770 1.02580 -0.06680 -0.14140 -0.08240 86 ASP A OD1 +1346 O OD2 . ASP A 86 ? 1.02120 1.16090 1.10710 -0.06400 -0.12890 -0.07570 86 ASP A OD2 +1351 N N . GLN A 87 ? 0.68250 0.75460 0.66360 -0.05670 -0.11640 -0.05610 87 GLN A N +1352 C CA . GLN A 87 ? 0.73030 0.78920 0.68500 -0.05150 -0.10950 -0.04650 87 GLN A CA +1353 C C . GLN A 87 ? 0.62020 0.68620 0.57320 -0.04340 -0.10470 -0.03770 87 GLN A C +1354 O O . GLN A 87 ? 0.61810 0.69460 0.57880 -0.03550 -0.11160 -0.03870 87 GLN A O +1355 C CB . GLN A 87 ? 0.70920 0.75370 0.63840 -0.04180 -0.11940 -0.04660 87 GLN A CB +1356 C CG . GLN A 87 ? 0.87520 0.90310 0.77870 -0.04070 -0.11250 -0.03920 87 GLN A CG +1357 C CD . GLN A 87 ? 0.89100 0.90390 0.77180 -0.03350 -0.12240 -0.04180 87 GLN A CD +1358 O OE1 . GLN A 87 ? 0.98520 0.99580 0.85160 -0.01970 -0.13000 -0.03920 87 GLN A OE1 +1359 N NE2 . GLN A 87 ? 1.00480 1.00710 0.88210 -0.04240 -0.12260 -0.04690 87 GLN A NE2 +1368 N N . TYR A 88 ? 0.60120 0.66110 0.54420 -0.04550 -0.09330 -0.02890 88 TYR A N +1369 C CA . TYR A 88 ? 0.54810 0.61160 0.48590 -0.03740 -0.08930 -0.01900 88 TYR A CA +1370 C C . TYR A 88 ? 0.55900 0.60770 0.47230 -0.03480 -0.08240 -0.00870 88 TYR A C +1371 O O . TYR A 88 ? 0.57850 0.61820 0.48730 -0.04400 -0.07480 -0.00840 88 TYR A O +1372 C CB . TYR A 88 ? 0.57920 0.65470 0.53820 -0.04420 -0.08120 -0.01860 88 TYR A CB +1373 C CG . TYR A 88 ? 0.54310 0.62640 0.50300 -0.03450 -0.08210 -0.01160 88 TYR A CG +1374 C CD1 . TYR A 88 ? 0.58730 0.66350 0.53200 -0.03000 -0.07610 0.00010 88 TYR A CD1 +1375 C CD2 . TYR A 88 ? 0.56900 0.66660 0.54520 -0.02970 -0.08940 -0.01630 88 TYR A CD2 +1376 C CE1 . TYR A 88 ? 0.52650 0.60950 0.47240 -0.02120 -0.07730 0.00700 88 TYR A CE1 +1377 C CE2 . TYR A 88 ? 0.50730 0.61180 0.48410 -0.02070 -0.09040 -0.00980 88 TYR A CE2 +1378 C CZ . TYR A 88 ? 0.59850 0.69560 0.56030 -0.01650 -0.08450 0.00180 88 TYR A CZ +1379 O OH . TYR A 88 ? 0.62290 0.72660 0.58610 -0.00780 -0.08610 0.00870 88 TYR A OH +1389 N N . GLN A 89 ? 0.53020 0.57660 0.42830 -0.02220 -0.08500 0.00020 89 GLN A N +1390 C CA . GLN A 89 ? 0.54340 0.57670 0.41880 -0.01840 -0.07880 0.01140 89 GLN A CA +1391 C C . GLN A 89 ? 0.55620 0.59230 0.43770 -0.02280 -0.06870 0.01960 89 GLN A C +1392 O O . GLN A 89 ? 0.60350 0.64770 0.49030 -0.01630 -0.06960 0.02530 89 GLN A O +1393 C CB . GLN A 89 ? 0.60230 0.63180 0.45890 -0.00240 -0.08570 0.01840 89 GLN A CB +1394 C CG . GLN A 89 ? 0.59840 0.61370 0.43090 0.00170 -0.07970 0.02980 89 GLN A CG +1395 C CD . GLN A 89 ? 0.64320 0.64990 0.45330 0.01540 -0.08690 0.03290 89 GLN A CD +1396 O OE1 . GLN A 89 ? 0.63860 0.65010 0.45030 0.02320 -0.09700 0.02700 89 GLN A OE1 +1397 N NE2 . GLN A 89 ? 0.62510 0.61860 0.41370 0.01880 -0.08190 0.04190 89 GLN A NE2 +1406 N N . GLU A 90 ? 0.51430 0.54290 0.39470 -0.03370 -0.05950 0.02020 90 GLU A N +1407 C CA . GLU A 90 ? 0.53160 0.56160 0.41930 -0.04000 -0.05000 0.02560 90 GLU A CA +1408 C C . GLU A 90 ? 0.53200 0.54970 0.40040 -0.03750 -0.04380 0.03830 90 GLU A C +1409 O O . GLU A 90 ? 0.58660 0.59250 0.43760 -0.03690 -0.04300 0.04040 90 GLU A O +1410 C CB . GLU A 90 ? 0.53670 0.56690 0.43770 -0.05430 -0.04340 0.01750 90 GLU A CB +1411 C CG . GLU A 90 ? 0.58890 0.63250 0.51270 -0.05830 -0.04800 0.00580 90 GLU A CG +1412 C CD . GLU A 90 ? 0.53260 0.57650 0.46990 -0.07220 -0.04010 -0.00070 90 GLU A CD +1413 O OE1 . GLU A 90 ? 0.55580 0.59280 0.48870 -0.07790 -0.03030 0.00450 90 GLU A OE1 +1414 O OE2 . GLU A 90 ? 0.55940 0.61000 0.51150 -0.07700 -0.04410 -0.01050 90 GLU A OE2 +1421 N N . GLY A 91 ? 0.43870 0.46810 0.48820 -0.00070 -0.01740 0.01370 91 GLY A N +1422 C CA . GLY A 91 ? 0.47150 0.49600 0.52350 0.00070 -0.01670 0.02110 91 GLY A CA +1423 C C . GLY A 91 ? 0.46470 0.49760 0.51920 -0.00660 -0.01810 0.02070 91 GLY A C +1424 O O . GLY A 91 ? 0.43120 0.47410 0.48640 -0.01170 -0.01790 0.01440 91 GLY A O +1428 N N . CYS A 92 ? 0.44980 0.47720 0.50530 -0.00720 -0.01960 0.02750 92 CYS A N +1429 C CA . CYS A 92 ? 0.46220 0.49190 0.51500 -0.01500 -0.02170 0.02810 92 CYS A CA +1430 C C . CYS A 92 ? 0.47580 0.50260 0.53490 -0.01160 -0.02500 0.03530 92 CYS A C +1431 O O . CYS A 92 ? 0.45290 0.47180 0.51630 -0.00680 -0.02600 0.04170 92 CYS A O +1432 C CB . CYS A 92 ? 0.40540 0.42600 0.44690 -0.02390 -0.02220 0.02890 92 CYS A CB +1433 S SG . CYS A 92 ? 0.44580 0.46410 0.47770 -0.03500 -0.02400 0.02910 92 CYS A SG +1438 N N . LEU A 93 ? 0.42020 0.45280 0.48040 -0.01420 -0.02660 0.03430 93 LEU A N +1439 C CA . LEU A 93 ? 0.43610 0.46570 0.50240 -0.01210 -0.03120 0.04130 93 LEU A CA +1440 C C . LEU A 93 ? 0.49640 0.51400 0.55760 -0.01700 -0.03660 0.04800 93 LEU A C +1441 O O . LEU A 93 ? 0.47870 0.49260 0.54880 -0.01390 -0.04150 0.05520 93 LEU A O +1442 C CB . LEU A 93 ? 0.45430 0.49010 0.51940 -0.01500 -0.03210 0.03840 93 LEU A CB +1443 C CG . LEU A 93 ? 0.46280 0.50930 0.53490 -0.00840 -0.02820 0.03300 93 LEU A CG +1444 C CD1 . LEU A 93 ? 0.48250 0.53350 0.55130 -0.01200 -0.02850 0.02970 93 LEU A CD1 +1445 C CD2 . LEU A 93 ? 0.46590 0.51160 0.54950 0.00070 -0.02820 0.03790 93 LEU A CD2 +1457 N N . SER A 94 ? 0.46620 0.47730 0.51410 -0.02470 -0.03630 0.04610 94 SER A N +1458 C CA . SER A 94 ? 0.48020 0.47730 0.52120 -0.02880 -0.04190 0.05270 94 SER A CA +1459 C C . SER A 94 ? 0.51130 0.50190 0.55650 -0.02340 -0.04060 0.05610 94 SER A C +1460 O O . SER A 94 ? 0.54080 0.51920 0.58190 -0.02530 -0.04550 0.06200 94 SER A O +1461 C CB . SER A 94 ? 0.53220 0.52170 0.55380 -0.04040 -0.04160 0.04930 94 SER A CB +1462 O OG . SER A 94 ? 0.48850 0.48060 0.50410 -0.04570 -0.04210 0.04650 94 SER A OG +1468 N N . VAL A 95 ? 0.49140 0.48770 0.54260 -0.01680 -0.03440 0.05260 95 VAL A N +1469 C CA . VAL A 95 ? 0.49270 0.48080 0.54670 -0.01090 -0.03210 0.05590 95 VAL A CA +1470 C C . VAL A 95 ? 0.52630 0.52020 0.59470 -0.00040 -0.02800 0.05660 95 VAL A C +1471 O O . VAL A 95 ? 0.49440 0.48810 0.56050 0.00380 -0.02240 0.05270 95 VAL A O +1472 C CB . VAL A 95 ? 0.47610 0.46020 0.51750 -0.01470 -0.02780 0.05030 95 VAL A CB +1473 C CG1 . VAL A 95 ? 0.55760 0.52890 0.59860 -0.00920 -0.02570 0.05450 95 VAL A CG1 +1474 C CG2 . VAL A 95 ? 0.48080 0.46110 0.50750 -0.02630 -0.02970 0.04770 95 VAL A CG2 +1484 N N . PRO A 96 ? 0.56480 0.56240 0.64680 0.00350 -0.03080 0.06160 96 PRO A N +1485 C CA . PRO A 96 ? 0.51830 0.52260 0.61210 0.01180 -0.02610 0.06090 96 PRO A CA +1486 C C . PRO A 96 ? 0.54900 0.54550 0.64750 0.02010 -0.01920 0.06290 96 PRO A C +1487 O O . PRO A 96 ? 0.53060 0.51870 0.63510 0.02270 -0.01930 0.06880 96 PRO A O +1488 C CB . PRO A 96 ? 0.54010 0.54840 0.64780 0.01230 -0.03160 0.06680 96 PRO A CB +1489 C CG . PRO A 96 ? 0.58720 0.58710 0.69390 0.00770 -0.03910 0.07280 96 PRO A CG +1490 C CD . PRO A 96 ? 0.51670 0.51150 0.60290 -0.00020 -0.03920 0.06790 96 PRO A CD +1498 N N . GLY A 97 ? 0.57810 0.57600 0.67290 0.02460 -0.01310 0.05790 97 GLY A N +1499 C CA . GLY A 97 ? 0.57730 0.56530 0.67340 0.03270 -0.00530 0.05920 97 GLY A CA +1500 C C . GLY A 97 ? 0.62440 0.60160 0.70420 0.03200 -0.00210 0.05540 97 GLY A C +1501 O O . GLY A 97 ? 0.56920 0.53450 0.64610 0.03830 0.00500 0.05630 97 GLY A O +1505 N N . PHE A 98 ? 0.47070 0.45020 0.53880 0.02400 -0.00660 0.05110 98 PHE A N +1506 C CA . PHE A 98 ? 0.48590 0.45510 0.53870 0.02170 -0.00490 0.04760 98 PHE A CA +1507 C C . PHE A 98 ? 0.52740 0.50510 0.57180 0.01700 -0.00720 0.03930 98 PHE A C +1508 O O . PHE A 98 ? 0.55360 0.54440 0.60170 0.01170 -0.01120 0.03660 98 PHE A O +1509 C CB . PHE A 98 ? 0.50140 0.46360 0.54950 0.01590 -0.00780 0.05090 98 PHE A CB +1510 C CG . PHE A 98 ? 0.49930 0.45330 0.55810 0.02110 -0.00670 0.05930 98 PHE A CG +1511 C CD1 . PHE A 98 ? 0.53690 0.49810 0.60940 0.02040 -0.01200 0.06450 98 PHE A CD1 +1512 C CD2 . PHE A 98 ? 0.58960 0.52830 0.64550 0.02700 -0.00050 0.06200 98 PHE A CD2 +1513 C CE1 . PHE A 98 ? 0.59890 0.55390 0.68500 0.02550 -0.01220 0.07240 98 PHE A CE1 +1514 C CE2 . PHE A 98 ? 0.62240 0.55460 0.69170 0.03260 0.00100 0.06970 98 PHE A CE2 +1515 C CZ . PHE A 98 ? 0.59360 0.53510 0.67970 0.03190 -0.00540 0.07500 98 PHE A CZ +1525 N N . TYR A 99 ? 0.50720 0.47650 0.54060 0.01920 -0.00490 0.03530 99 TYR A N +1526 C CA . TYR A 99 ? 0.51310 0.49000 0.54100 0.01600 -0.00810 0.02750 99 TYR A CA +1527 C C . TYR A 99 ? 0.52720 0.49200 0.54050 0.01250 -0.00840 0.02460 99 TYR A C +1528 O O . TYR A 99 ? 0.53510 0.48290 0.53860 0.01760 -0.00460 0.02630 99 TYR A O +1529 C CB . TYR A 99 ? 0.57940 0.55740 0.60870 0.02360 -0.00680 0.02540 99 TYR A CB +1530 C CG . TYR A 99 ? 0.51110 0.49980 0.55420 0.02690 -0.00630 0.02830 99 TYR A CG +1531 C CD1 . TYR A 99 ? 0.47890 0.48390 0.52890 0.02320 -0.01040 0.02460 99 TYR A CD1 +1532 C CD2 . TYR A 99 ? 0.53010 0.51190 0.57990 0.03340 -0.00120 0.03470 99 TYR A CD2 +1533 C CE1 . TYR A 99 ? 0.55850 0.57140 0.61900 0.02570 -0.01020 0.02720 99 TYR A CE1 +1534 C CE2 . TYR A 99 ? 0.56010 0.55160 0.62320 0.03550 -0.00150 0.03750 99 TYR A CE2 +1535 C CZ . TYR A 99 ? 0.54150 0.54780 0.60850 0.03150 -0.00640 0.03370 99 TYR A CZ +1536 O OH . TYR A 99 ? 0.61870 0.63280 0.69670 0.03310 -0.00700 0.03630 99 TYR A OH +1546 N N . GLU A 100 ? 0.50710 0.47900 0.51800 0.00330 -0.01230 0.02030 100 GLU A N +1547 C CA . GLU A 100 ? 0.53370 0.49420 0.53130 -0.00180 -0.01310 0.01780 100 GLU A CA +1548 C C . GLU A 100 ? 0.50530 0.47830 0.50430 -0.00930 -0.01800 0.00990 100 GLU A C +1549 O O . GLU A 100 ? 0.48870 0.47920 0.49900 -0.01340 -0.01940 0.00700 100 GLU A O +1550 C CB . GLU A 100 ? 0.58120 0.53310 0.57420 -0.00690 -0.01160 0.02240 100 GLU A CB +1551 C CG . GLU A 100 ? 0.52090 0.46070 0.51580 0.00070 -0.00730 0.03050 100 GLU A CG +1552 C CD . GLU A 100 ? 0.72550 0.64480 0.70830 0.00710 -0.00270 0.03180 100 GLU A CD +1553 O OE1 . GLU A 100 ? 0.72470 0.63580 0.69360 0.00340 -0.00410 0.02710 100 GLU A OE1 +1554 O OE2 . GLU A 100 ? 0.74980 0.66080 0.73730 0.01540 0.00260 0.03740 100 GLU A OE2 +1561 N N . ASN A 101 ? 0.53710 0.50020 0.52500 -0.01120 -0.02030 0.00640 101 ASN A N +1562 C CA . ASN A 101 ? 0.52660 0.50120 0.51810 -0.01870 -0.02570 -0.00110 101 ASN A CA +1563 C C . ASN A 101 ? 0.51090 0.49270 0.50540 -0.03010 -0.02470 -0.00240 101 ASN A C +1564 O O . ASN A 101 ? 0.56160 0.52980 0.54530 -0.03380 -0.02210 0.00130 101 ASN A O +1565 C CB . ASN A 101 ? 0.60130 0.56030 0.57830 -0.01850 -0.02970 -0.00390 101 ASN A CB +1566 C CG . ASN A 101 ? 0.62570 0.58030 0.59980 -0.00930 -0.03250 -0.00520 101 ASN A CG +1567 O OD1 . ASN A 101 ? 0.63330 0.60430 0.62030 -0.00730 -0.03610 -0.00870 101 ASN A OD1 +1568 N ND2 . ASN A 101 ? 0.69650 0.62730 0.65250 -0.00360 -0.03030 -0.00220 101 ASN A ND2 +1575 N N . VAL A 102 ? 0.46330 0.46510 0.47160 -0.03560 -0.02630 -0.00790 102 VAL A N +1576 C CA . VAL A 102 ? 0.54100 0.55080 0.55290 -0.04730 -0.02410 -0.01060 102 VAL A CA +1577 C C . VAL A 102 ? 0.58250 0.60650 0.60550 -0.05320 -0.02800 -0.01890 102 VAL A C +1578 O O . VAL A 102 ? 0.50320 0.53970 0.53830 -0.04790 -0.03150 -0.02270 102 VAL A O +1579 C CB . VAL A 102 ? 0.54330 0.56400 0.56340 -0.04870 -0.02010 -0.00880 102 VAL A CB +1580 C CG1 . VAL A 102 ? 0.54520 0.56910 0.56410 -0.06170 -0.01640 -0.01130 102 VAL A CG1 +1581 C CG2 . VAL A 102 ? 0.53770 0.54680 0.55150 -0.04160 -0.01840 -0.00040 102 VAL A CG2 +1591 N N . ASP A 103 ? 0.55420 0.57630 0.57410 -0.06410 -0.02760 -0.02190 103 ASP A N +1592 C CA . ASP A 103 ? 0.56420 0.60050 0.59750 -0.07090 -0.03140 -0.02980 103 ASP A CA +1593 C C . ASP A 103 ? 0.52290 0.57870 0.57270 -0.07870 -0.02550 -0.03400 103 ASP A C +1594 O O . ASP A 103 ? 0.54490 0.59570 0.58730 -0.08620 -0.01880 -0.03190 103 ASP A O +1595 C CB . ASP A 103 ? 0.59340 0.61650 0.61500 -0.07940 -0.03390 -0.03100 103 ASP A CB +1596 C CG . ASP A 103 ? 0.71770 0.72290 0.72470 -0.07240 -0.04090 -0.02940 103 ASP A CG +1597 O OD1 . ASP A 103 ? 0.74450 0.75080 0.75390 -0.06210 -0.04500 -0.02910 103 ASP A OD1 +1598 O OD2 . ASP A 103 ? 0.89070 0.87860 0.88190 -0.07770 -0.04210 -0.02850 103 ASP A OD2 +1603 N N . ARG A 104 ? 0.51680 0.59290 0.58760 -0.07660 -0.02760 -0.03990 104 ARG A N +1604 C CA . ARG A 104 ? 0.46910 0.56370 0.55680 -0.08310 -0.02050 -0.04450 104 ARG A CA +1605 C C . ARG A 104 ? 0.56930 0.68460 0.68230 -0.08450 -0.02490 -0.05280 104 ARG A C +1606 O O . ARG A 104 ? 0.52910 0.64570 0.64670 -0.07640 -0.03450 -0.05390 104 ARG A O +1607 C CB . ARG A 104 ? 0.48990 0.58880 0.57920 -0.07610 -0.01620 -0.04170 104 ARG A CB +1608 C CG . ARG A 104 ? 0.50500 0.58630 0.57410 -0.07420 -0.01300 -0.03350 104 ARG A CG +1609 C CD . ARG A 104 ? 0.46990 0.55790 0.54340 -0.06930 -0.00920 -0.03200 104 ARG A CD +1610 N NE . ARG A 104 ? 0.46740 0.53990 0.52530 -0.06440 -0.00940 -0.02350 104 ARG A NE +1611 C CZ . ARG A 104 ? 0.50270 0.56540 0.54870 -0.07050 -0.00510 -0.01950 104 ARG A CZ +1612 N NH1 . ARG A 104 ? 0.44910 0.51300 0.49300 -0.08230 0.00080 -0.02290 104 ARG A NH1 +1613 N NH2 . ARG A 104 ? 0.52310 0.57380 0.55940 -0.06480 -0.00700 -0.01180 104 ARG A NH2 +1627 N N . PRO A 105 ? 0.51890 0.64990 0.64900 -0.09420 -0.01790 -0.05860 105 PRO A N +1628 C CA . PRO A 105 ? 0.63280 0.78740 0.79300 -0.09370 -0.02090 -0.06650 105 PRO A CA +1629 C C . PRO A 105 ? 0.59630 0.75940 0.76500 -0.08110 -0.02290 -0.06630 105 PRO A C +1630 O O . PRO A 105 ? 0.52970 0.68900 0.68970 -0.07810 -0.01590 -0.06280 105 PRO A O +1631 C CB . PRO A 105 ? 0.56010 0.72730 0.73430 -0.10630 -0.00850 -0.07170 105 PRO A CB +1632 C CG . PRO A 105 ? 0.63190 0.77930 0.78010 -0.11510 -0.00130 -0.06690 105 PRO A CG +1633 C CD . PRO A 105 ? 0.55160 0.67900 0.67440 -0.10530 -0.00600 -0.05820 105 PRO A CD +1641 N N . GLN A 106 ? 0.55570 0.72920 0.74080 -0.07410 -0.03320 -0.07000 106 GLN A N +1642 C CA . GLN A 106 ? 0.58500 0.76640 0.77870 -0.06220 -0.03530 -0.07030 106 GLN A CA +1643 C C . GLN A 106 ? 0.47440 0.68130 0.70140 -0.06290 -0.03320 -0.07840 106 GLN A C +1644 O O . GLN A 106 ? 0.48900 0.70410 0.72780 -0.05270 -0.03880 -0.08010 106 GLN A O +1645 C CB . GLN A 106 ? 0.63030 0.79970 0.81290 -0.05110 -0.04850 -0.06730 106 GLN A CB +1646 C CG . GLN A 106 ? 0.60190 0.74840 0.75470 -0.04630 -0.04640 -0.05880 106 GLN A CG +1647 C CD . GLN A 106 ? 0.71800 0.85170 0.85890 -0.03430 -0.05580 -0.05580 106 GLN A CD +1648 O OE1 . GLN A 106 ? 0.61790 0.76000 0.77150 -0.02770 -0.06380 -0.05950 106 GLN A OE1 +1649 N NE2 . GLN A 106 ? 0.55690 0.66890 0.67290 -0.03130 -0.05460 -0.04890 106 GLN A NE2 +1658 N N . LYS A 107 ? 0.49050 0.70930 0.73280 -0.07470 -0.02430 -0.08320 107 LYS A N +1659 C CA . LYS A 107 ? 0.49130 0.73360 0.76480 -0.07620 -0.01700 -0.09060 107 LYS A CA +1660 C C . LYS A 107 ? 0.47840 0.72070 0.74870 -0.08850 0.00030 -0.09180 107 LYS A C +1661 O O . LYS A 107 ? 0.55200 0.79020 0.81840 -0.10030 0.00350 -0.09250 107 LYS A O +1662 C CB . LYS A 107 ? 0.59880 0.85990 0.90440 -0.07790 -0.02630 -0.09750 107 LYS A CB +1663 C CG . LYS A 107 ? 0.65990 0.94680 1.00250 -0.07650 -0.02010 -0.10520 107 LYS A CG +1664 C CD . LYS A 107 ? 0.85450 1.15880 1.22940 -0.07420 -0.03450 -0.11080 107 LYS A CD +1665 C CE . LYS A 107 ? 0.82740 1.15830 1.24260 -0.07130 -0.02860 -0.11840 107 LYS A CE +1666 N NZ . LYS A 107 ? 1.00580 1.34840 1.44510 -0.06090 -0.04720 -0.12130 107 LYS A NZ +1680 N N . VAL A 108 ? 0.48350 0.72800 0.75290 -0.08640 0.01160 -0.09220 108 VAL A N +1681 C CA . VAL A 108 ? 0.47860 0.71850 0.73950 -0.09780 0.02840 -0.09300 108 VAL A CA +1682 C C . VAL A 108 ? 0.50360 0.75820 0.78410 -0.09610 0.04020 -0.09880 108 VAL A C +1683 O O . VAL A 108 ? 0.51160 0.77530 0.80460 -0.08430 0.03520 -0.10010 108 VAL A O +1684 C CB . VAL A 108 ? 0.51550 0.73000 0.73830 -0.09860 0.03090 -0.08450 108 VAL A CB +1685 C CG1 . VAL A 108 ? 0.52150 0.72020 0.72490 -0.09930 0.02050 -0.07860 108 VAL A CG1 +1686 C CG2 . VAL A 108 ? 0.47800 0.68840 0.69230 -0.08640 0.02870 -0.08070 108 VAL A CG2 +1696 N N . ARG A 109 ? 0.45190 0.70690 0.73340 -0.10810 0.05670 -0.10250 109 ARG A N +1697 C CA . ARG A 109 ? 0.50630 0.76830 0.79760 -0.10820 0.07150 -0.10720 109 ARG A CA +1698 C C . ARG A 109 ? 0.49850 0.73640 0.75260 -0.11060 0.07920 -0.10130 109 ARG A C +1699 O O . ARG A 109 ? 0.50300 0.72290 0.73180 -0.12060 0.08280 -0.09740 109 ARG A O +1700 C CB . ARG A 109 ? 0.56090 0.83710 0.87690 -0.12050 0.08710 -0.11570 109 ARG A CB +1701 C CG . ARG A 109 ? 0.59950 0.87770 0.91970 -0.12190 0.10570 -0.12040 109 ARG A CG +1702 C CD . ARG A 109 ? 0.70220 0.99510 1.04990 -0.13370 0.12340 -0.12940 109 ARG A CD +1703 N NE . ARG A 109 ? 0.65300 0.97510 1.04710 -0.12970 0.11610 -0.13580 109 ARG A NE +1704 C CZ . ARG A 109 ? 0.69120 1.02340 1.10320 -0.13810 0.11190 -0.13820 109 ARG A CZ +1705 N NH1 . ARG A 109 ? 0.76650 1.08220 1.15440 -0.15140 0.11620 -0.13540 109 ARG A NH1 +1706 N NH2 . ARG A 109 ? 0.73890 1.09730 1.19360 -0.13320 0.10230 -0.14350 109 ARG A NH2 +1720 N N . ILE A 110 ? 0.49390 0.73050 0.74440 -0.10170 0.08080 -0.10060 110 ILE A N +1721 C CA . ILE A 110 ? 0.50280 0.71730 0.72030 -0.10350 0.08720 -0.09540 110 ILE A CA +1722 C C . ILE A 110 ? 0.50020 0.71610 0.72210 -0.11050 0.10670 -0.10190 110 ILE A C +1723 O O . ILE A 110 ? 0.49590 0.73080 0.74680 -0.10540 0.11200 -0.10890 110 ILE A O +1724 C CB . ILE A 110 ? 0.45910 0.66910 0.66760 -0.08960 0.07620 -0.09010 110 ILE A CB +1725 C CG1 . ILE A 110 ? 0.50550 0.71460 0.71200 -0.08190 0.05860 -0.08460 110 ILE A CG1 +1726 C CG2 . ILE A 110 ? 0.58890 0.77520 0.76310 -0.09240 0.08070 -0.08420 110 ILE A CG2 +1727 C CD1 . ILE A 110 ? 0.49800 0.70350 0.69820 -0.06820 0.04860 -0.08000 110 ILE A CD1 +1739 N N . LYS A 111 ? 0.53170 0.72580 0.72390 -0.12190 0.11730 -0.09960 111 LYS A N +1740 C CA . LYS A 111 ? 0.59320 0.77930 0.77740 -0.12820 0.13580 -0.10410 111 LYS A CA +1741 C C . LYS A 111 ? 0.57800 0.73580 0.72120 -0.12850 0.13370 -0.09650 111 LYS A C +1742 O O . LYS A 111 ? 0.60010 0.73980 0.71710 -0.13260 0.12570 -0.08900 111 LYS A O +1743 C CB . LYS A 111 ? 0.64290 0.82610 0.82780 -0.14420 0.15280 -0.10950 111 LYS A CB +1744 C CG . LYS A 111 ? 0.78800 0.99980 1.01600 -0.14570 0.15520 -0.11720 111 LYS A CG +1745 C CD . LYS A 111 ? 1.00470 1.21320 1.23430 -0.16220 0.17530 -0.12330 111 LYS A CD +1746 C CE . LYS A 111 ? 1.30090 1.53050 1.56260 -0.16720 0.17200 -0.12740 111 LYS A CE +1747 N NZ . LYS A 111 ? 1.48880 1.70030 1.72750 -0.18340 0.17900 -0.12580 111 LYS A NZ +1761 N N . ALA A 112 ? 0.54950 0.70310 0.68780 -0.12410 0.14030 -0.09820 112 ALA A N +1762 C CA . ALA A 112 ? 0.57820 0.70470 0.67850 -0.12500 0.13770 -0.09130 112 ALA A CA +1763 C C . ALA A 112 ? 0.61050 0.73200 0.70700 -0.12420 0.15130 -0.09630 112 ALA A C +1764 O O . ALA A 112 ? 0.57970 0.71930 0.70420 -0.12250 0.16340 -0.10500 112 ALA A O +1765 C CB . ALA A 112 ? 0.48440 0.61020 0.57970 -0.11310 0.11740 -0.08290 112 ALA A CB +1771 N N . LEU A 113 ? 0.59740 0.69340 0.65920 -0.12550 0.14910 -0.09060 113 LEU A N +1772 C CA . LEU A 113 ? 0.66580 0.75300 0.71840 -0.12310 0.15820 -0.09360 113 LEU A CA +1773 C C . LEU A 113 ? 0.62920 0.72230 0.68640 -0.10880 0.14260 -0.08890 113 LEU A C +1774 O O . LEU A 113 ? 0.54300 0.63340 0.59320 -0.10470 0.12570 -0.08090 113 LEU A O +1775 C CB . LEU A 113 ? 0.63900 0.69040 0.64650 -0.13510 0.16540 -0.09040 113 LEU A CB +1776 C CG . LEU A 113 ? 0.70470 0.74260 0.69790 -0.15100 0.18020 -0.09360 113 LEU A CG +1777 C CD1 . LEU A 113 ? 0.75180 0.75040 0.69630 -0.16180 0.18570 -0.09010 113 LEU A CD1 +1778 C CD2 . LEU A 113 ? 0.71950 0.77720 0.74390 -0.15310 0.20030 -0.10480 113 LEU A CD2 +1790 N N . ASP A 114 ? 0.56260 0.66250 0.63120 -0.10150 0.14910 -0.09400 114 ASP A N +1791 C CA . ASP A 114 ? 0.54610 0.65090 0.61910 -0.08830 0.13570 -0.09020 114 ASP A CA +1792 C C . ASP A 114 ? 0.60620 0.68210 0.64120 -0.09130 0.13350 -0.08460 114 ASP A C +1793 O O . ASP A 114 ? 0.60510 0.65630 0.60920 -0.10350 0.14020 -0.08290 114 ASP A O +1794 C CB . ASP A 114 ? 0.54330 0.67100 0.64980 -0.07760 0.14140 -0.09820 114 ASP A CB +1795 C CG . ASP A 114 ? 0.65390 0.77210 0.75390 -0.08110 0.16090 -0.10530 114 ASP A CG +1796 O OD1 . ASP A 114 ? 0.68570 0.77600 0.74980 -0.09050 0.16790 -0.10320 114 ASP A OD1 +1797 O OD2 . ASP A 114 ? 0.66860 0.80650 0.79970 -0.07410 0.16910 -0.11320 114 ASP A OD2 +1802 N N . ARG A 115 ? 0.58310 0.66020 0.61900 -0.08070 0.12340 -0.08140 115 ARG A N +1803 C CA . ARG A 115 ? 0.58610 0.63730 0.58850 -0.08320 0.11770 -0.07500 115 ARG A CA +1804 C C . ARG A 115 ? 0.70610 0.73580 0.68460 -0.09120 0.13390 -0.07980 115 ARG A C +1805 O O . ARG A 115 ? 0.69900 0.70200 0.64380 -0.09670 0.12980 -0.07450 115 ARG A O +1806 C CB . ARG A 115 ? 0.61470 0.67360 0.62640 -0.07010 0.10490 -0.07160 115 ARG A CB +1807 C CG . ARG A 115 ? 0.57590 0.64890 0.60850 -0.06050 0.11300 -0.07940 115 ARG A CG +1808 C CD . ARG A 115 ? 0.55590 0.64050 0.60280 -0.04690 0.09900 -0.07610 115 ARG A CD +1809 N NE . ARG A 115 ? 0.54720 0.65330 0.61970 -0.04060 0.08930 -0.07500 115 ARG A NE +1810 C CZ . ARG A 115 ? 0.53980 0.65520 0.62390 -0.02960 0.07650 -0.07160 115 ARG A CZ +1811 N NH1 . ARG A 115 ? 0.50220 0.60870 0.57600 -0.02370 0.07120 -0.06840 115 ARG A NH1 +1812 N NH2 . ARG A 115 ? 0.50960 0.64190 0.61450 -0.02490 0.06920 -0.07140 115 ARG A NH2 +1826 N N . ASP A 116 ? 0.68390 0.72380 0.67930 -0.09200 0.15200 -0.08950 116 ASP A N +1827 C CA . ASP A 116 ? 0.74260 0.76110 0.71570 -0.10030 0.17100 -0.09510 116 ASP A CA +1828 C C . ASP A 116 ? 0.81820 0.82290 0.77530 -0.11530 0.18430 -0.09740 116 ASP A C +1829 O O . ASP A 116 ? 0.82830 0.81200 0.76360 -0.12370 0.20210 -0.10220 116 ASP A O +1830 C CB . ASP A 116 ? 0.73260 0.76950 0.73510 -0.09170 0.18520 -0.10500 116 ASP A CB +1831 C CG . ASP A 116 ? 0.83050 0.87940 0.84770 -0.07670 0.17300 -0.10340 116 ASP A CG +1832 O OD1 . ASP A 116 ? 0.78680 0.81760 0.77820 -0.07580 0.16150 -0.09650 116 ASP A OD1 +1833 O OD2 . ASP A 116 ? 0.92520 1.00120 0.98010 -0.06610 0.17450 -0.10900 116 ASP A OD2 +1838 N N . GLY A 117 ? 0.74840 0.76290 0.71470 -0.11890 0.17730 -0.09430 117 GLY A N +1839 C CA . GLY A 117 ? 0.72910 0.73210 0.68280 -0.13300 0.19010 -0.09680 117 GLY A CA +1840 C C . GLY A 117 ? 0.72820 0.75510 0.71710 -0.13400 0.20780 -0.10690 117 GLY A C +1841 O O . GLY A 117 ? 0.86310 0.87920 0.84130 -0.14680 0.22230 -0.11030 117 GLY A O +1845 N N . ASN A 118 ? 0.70540 0.76390 0.73640 -0.12130 0.20680 -0.11190 118 ASN A N +1846 C CA . ASN A 118 ? 0.67190 0.75550 0.74150 -0.12170 0.22230 -0.12170 118 ASN A CA +1847 C C . ASN A 118 ? 0.71230 0.82150 0.81180 -0.12010 0.21090 -0.12050 118 ASN A C +1848 O O . ASN A 118 ? 0.62200 0.74110 0.72840 -0.11090 0.19020 -0.11420 118 ASN A O +1849 C CB . ASN A 118 ? 0.68830 0.79150 0.78880 -0.10870 0.22770 -0.12840 118 ASN A CB +1850 C CG . ASN A 118 ? 0.86040 0.93850 0.93390 -0.11100 0.24340 -0.13160 118 ASN A CG +1851 O OD1 . ASN A 118 ? 0.79270 0.84490 0.83610 -0.12430 0.25940 -0.13330 118 ASN A OD1 +1852 N ND2 . ASN A 118 ? 0.87880 0.96220 0.96050 -0.09840 0.23870 -0.13230 118 ASN A ND2 +1859 N N . PRO A 119 ? 0.73730 0.85650 0.85450 -0.12910 0.22430 -0.12650 119 PRO A N +1860 C CA . PRO A 119 ? 0.65950 0.79990 0.80150 -0.12920 0.21310 -0.12520 119 PRO A CA +1861 C C . PRO A 119 ? 0.68940 0.86470 0.87840 -0.11480 0.20290 -0.12850 119 PRO A C +1862 O O . PRO A 119 ? 0.63540 0.82490 0.84940 -0.10720 0.21110 -0.13520 119 PRO A O +1863 C CB . PRO A 119 ? 0.72600 0.86530 0.87300 -0.14400 0.23320 -0.13160 119 PRO A CB +1864 C CG . PRO A 119 ? 0.69960 0.83110 0.84520 -0.14670 0.25690 -0.13950 119 PRO A CG +1865 C CD . PRO A 119 ? 0.73730 0.84520 0.84840 -0.14100 0.25100 -0.13440 119 PRO A CD +1873 N N . PHE A 120 ? 0.60700 0.79430 0.80660 -0.11120 0.18440 -0.12380 120 PHE A N +1874 C CA . PHE A 120 ? 0.60240 0.82050 0.84460 -0.09930 0.17350 -0.12690 120 PHE A CA +1875 C C . PHE A 120 ? 0.57780 0.80530 0.82950 -0.10280 0.16100 -0.12410 120 PHE A C +1876 O O . PHE A 120 ? 0.56420 0.77360 0.78740 -0.11190 0.15820 -0.11830 120 PHE A O +1877 C CB . PHE A 120 ? 0.55440 0.77400 0.79530 -0.08370 0.15830 -0.12280 120 PHE A CB +1878 C CG . PHE A 120 ? 0.58730 0.79250 0.80080 -0.08100 0.13950 -0.11240 120 PHE A CG +1879 C CD1 . PHE A 120 ? 0.56350 0.74120 0.73680 -0.08510 0.13940 -0.10580 120 PHE A CD1 +1880 C CD2 . PHE A 120 ? 0.59950 0.81800 0.82820 -0.07390 0.12190 -0.10920 120 PHE A CD2 +1881 C CE1 . PHE A 120 ? 0.56010 0.72640 0.71280 -0.08210 0.12260 -0.09640 120 PHE A CE1 +1882 C CE2 . PHE A 120 ? 0.63440 0.83970 0.83970 -0.07100 0.10650 -0.09990 120 PHE A CE2 +1883 C CZ . PHE A 120 ? 0.57470 0.75500 0.74390 -0.07490 0.10720 -0.09360 120 PHE A CZ +1893 N N . GLU A 121 ? 0.58280 0.83790 0.87470 -0.09570 0.15340 -0.12830 121 GLU A N +1894 C CA . GLU A 121 ? 0.56320 0.82830 0.86660 -0.09720 0.13940 -0.12600 121 GLU A CA +1895 C C . GLU A 121 ? 0.59150 0.87150 0.91410 -0.08170 0.11960 -0.12440 121 GLU A C +1896 O O . GLU A 121 ? 0.56210 0.85370 0.90410 -0.07110 0.11960 -0.12810 121 GLU A O +1897 C CB . GLU A 121 ? 0.71180 0.99510 1.04690 -0.10700 0.14990 -0.13380 121 GLU A CB +1898 C CG . GLU A 121 ? 1.16640 1.43590 1.48620 -0.12260 0.17310 -0.13720 121 GLU A CG +1899 C CD . GLU A 121 ? 1.21160 1.49750 1.56050 -0.13380 0.18230 -0.14380 121 GLU A CD +1900 O OE1 . GLU A 121 ? 0.91550 1.22570 1.30000 -0.12890 0.17010 -0.14620 121 GLU A OE1 +1901 O OE2 . GLU A 121 ? 1.30380 1.57710 1.63910 -0.14800 0.20120 -0.14650 121 GLU A OE2 +1908 N N . GLU A 122 ? 0.49840 0.77620 0.81410 -0.08060 0.10300 -0.11880 122 GLU A N +1909 C CA . GLU A 122 ? 0.55320 0.83880 0.87870 -0.06700 0.08350 -0.11600 122 GLU A CA +1910 C C . GLU A 122 ? 0.55040 0.83930 0.88020 -0.07070 0.07100 -0.11400 122 GLU A C +1911 O O . GLU A 122 ? 0.61010 0.88490 0.91770 -0.08080 0.07310 -0.11000 122 GLU A O +1912 C CB . GLU A 122 ? 0.57510 0.84120 0.86840 -0.05920 0.07610 -0.10800 122 GLU A CB +1913 C CG . GLU A 122 ? 0.76760 1.03830 1.06730 -0.04470 0.05870 -0.10530 122 GLU A CG +1914 C CD . GLU A 122 ? 0.78860 1.04110 1.05970 -0.03780 0.05500 -0.09850 122 GLU A CD +1915 O OE1 . GLU A 122 ? 0.79470 1.03530 1.04790 -0.04240 0.06640 -0.09760 122 GLU A OE1 +1916 O OE2 . GLU A 122 ? 0.78470 1.03380 1.05060 -0.02830 0.04080 -0.09390 122 GLU A OE2 +1923 N N . VAL A 123 ? 0.49810 0.80410 0.85540 -0.06280 0.05790 -0.11680 123 VAL A N +1924 C CA . VAL A 123 ? 0.50670 0.81200 0.86310 -0.06390 0.04260 -0.11390 123 VAL A CA +1925 C C . VAL A 123 ? 0.52020 0.81050 0.85280 -0.05270 0.02750 -0.10630 123 VAL A C +1926 O O . VAL A 123 ? 0.48570 0.77990 0.82480 -0.04060 0.02150 -0.10660 123 VAL A O +1927 C CB . VAL A 123 ? 0.57230 0.90190 0.97010 -0.06240 0.03490 -0.12080 123 VAL A CB +1928 C CG1 . VAL A 123 ? 0.53280 0.85740 0.92450 -0.06170 0.01620 -0.11710 123 VAL A CG1 +1929 C CG2 . VAL A 123 ? 0.55580 0.89970 0.97780 -0.07540 0.05060 -0.12800 123 VAL A CG2 +1939 N N . ALA A 124 ? 0.47790 0.75050 0.78310 -0.05670 0.02200 -0.09950 124 ALA A N +1940 C CA . ALA A 124 ? 0.49710 0.75330 0.77770 -0.04760 0.01050 -0.09190 124 ALA A CA +1941 C C . ALA A 124 ? 0.45870 0.71080 0.73680 -0.04700 -0.00390 -0.08980 124 ALA A C +1942 O O . ALA A 124 ? 0.42970 0.68170 0.70880 -0.05730 -0.00270 -0.09080 124 ALA A O +1943 C CB . ALA A 124 ? 0.43510 0.67040 0.68260 -0.05180 0.01750 -0.08490 124 ALA A CB +1949 N N . GLU A 125 ? 0.41940 0.66620 0.69230 -0.03540 -0.01690 -0.08690 125 GLU A N +1950 C CA . GLU A 125 ? 0.44810 0.68510 0.71160 -0.03380 -0.03060 -0.08410 125 GLU A CA +1951 C C . GLU A 125 ? 0.46810 0.68510 0.70420 -0.02440 -0.03620 -0.07660 125 GLU A C +1952 O O . GLU A 125 ? 0.52940 0.74370 0.75930 -0.01820 -0.03190 -0.07440 125 GLU A O +1953 C CB . GLU A 125 ? 0.54190 0.79330 0.83150 -0.02930 -0.04330 -0.08980 125 GLU A CB +1954 C CG . GLU A 125 ? 0.73300 1.00390 1.05190 -0.03950 -0.03970 -0.09700 125 GLU A CG +1955 C CD . GLU A 125 ? 0.86780 1.15180 1.21290 -0.03520 -0.05520 -0.10190 125 GLU A CD +1956 O OE1 . GLU A 125 ? 0.86260 1.13470 1.19540 -0.03480 -0.06910 -0.09950 125 GLU A OE1 +1957 O OE2 . GLU A 125 ? 0.93990 1.24490 1.31720 -0.03200 -0.05390 -0.10810 125 GLU A OE2 +1964 N N . GLY A 126 ? 0.44800 0.65020 0.66790 -0.02370 -0.04550 -0.07280 126 GLY A N +1965 C CA . GLY A 126 ? 0.43850 0.62140 0.63420 -0.01470 -0.05010 -0.06610 126 GLY A CA +1966 C C . GLY A 126 ? 0.44270 0.61460 0.61990 -0.01630 -0.03990 -0.05980 126 GLY A C +1967 O O . GLY A 126 ? 0.45990 0.62930 0.63120 -0.02590 -0.03230 -0.05840 126 GLY A O +1971 N N . LEU A 127 ? 0.46140 0.62560 0.62870 -0.00710 -0.04040 -0.05590 127 LEU A N +1972 C CA . LEU A 127 ? 0.46980 0.62230 0.61990 -0.00770 -0.03320 -0.04910 127 LEU A CA +1973 C C . LEU A 127 ? 0.47500 0.63600 0.63050 -0.01560 -0.02260 -0.05070 127 LEU A C +1974 O O . LEU A 127 ? 0.45460 0.60590 0.59650 -0.02140 -0.01710 -0.04600 127 LEU A O +1975 C CB . LEU A 127 ? 0.50070 0.64540 0.64290 0.00320 -0.03570 -0.04540 127 LEU A CB +1976 C CG . LEU A 127 ? 0.49500 0.62550 0.62010 0.00440 -0.03120 -0.03750 127 LEU A CG +1977 C CD1 . LEU A 127 ? 0.49790 0.61370 0.60840 0.00110 -0.03160 -0.03240 127 LEU A CD1 +1978 C CD2 . LEU A 127 ? 0.53700 0.66100 0.65730 0.01530 -0.03440 -0.03510 127 LEU A CD2 +1990 N N . LEU A 128 ? 0.39660 0.57420 0.57140 -0.01570 -0.01930 -0.05730 128 LEU A N +1991 C CA . LEU A 128 ? 0.41900 0.60160 0.59600 -0.02360 -0.00780 -0.05920 128 LEU A CA +1992 C C . LEU A 128 ? 0.45880 0.63990 0.63290 -0.03620 -0.00250 -0.05990 128 LEU A C +1993 O O . LEU A 128 ? 0.42870 0.60240 0.59070 -0.04380 0.00580 -0.05760 128 LEU A O +1994 C CB . LEU A 128 ? 0.43480 0.63500 0.63420 -0.02110 -0.00390 -0.06670 128 LEU A CB +1995 C CG . LEU A 128 ? 0.39780 0.60310 0.60080 -0.02990 0.00990 -0.07030 128 LEU A CG +1996 C CD1 . LEU A 128 ? 0.47620 0.66630 0.65650 -0.03070 0.01510 -0.06450 128 LEU A CD1 +1997 C CD2 . LEU A 128 ? 0.51300 0.73690 0.74230 -0.02650 0.01410 -0.07860 128 LEU A CD2 +2009 N N . ALA A 129 ? 0.43210 0.61840 0.61580 -0.03920 -0.00770 -0.06310 129 ALA A N +2010 C CA . ALA A 129 ? 0.37440 0.55800 0.55430 -0.05150 -0.00300 -0.06370 129 ALA A CA +2011 C C . ALA A 129 ? 0.38230 0.54470 0.53550 -0.05370 -0.00390 -0.05550 129 ALA A C +2012 O O . ALA A 129 ? 0.42750 0.58230 0.56950 -0.06320 0.00330 -0.05380 129 ALA A O +2013 C CB . ALA A 129 ? 0.47630 0.66970 0.67290 -0.05400 -0.01000 -0.06880 129 ALA A CB +2019 N N . VAL A 130 ? 0.40960 0.56120 0.55200 -0.04480 -0.01240 -0.05030 130 VAL A N +2020 C CA . VAL A 130 ? 0.39490 0.52700 0.51480 -0.04530 -0.01270 -0.04230 130 VAL A CA +2021 C C . VAL A 130 ? 0.41570 0.54180 0.52570 -0.04650 -0.00630 -0.03800 130 VAL A C +2022 O O . VAL A 130 ? 0.43550 0.55010 0.53150 -0.05360 -0.00280 -0.03390 130 VAL A O +2023 C CB . VAL A 130 ? 0.42150 0.54300 0.53310 -0.03470 -0.02100 -0.03800 130 VAL A CB +2024 C CG1 . VAL A 130 ? 0.42460 0.52710 0.51660 -0.03470 -0.02000 -0.02980 130 VAL A CG1 +2025 C CG2 . VAL A 130 ? 0.48550 0.60860 0.60240 -0.03420 -0.02860 -0.04190 130 VAL A CG2 +2035 N N . CYS A 131 ? 0.41000 0.54230 0.52580 -0.03980 -0.00570 -0.03860 131 CYS A N +2036 C CA A CYS A 131 ? 0.44480 0.56930 0.54960 -0.04030 -0.00180 -0.03380 131 CYS A CA +2037 C CA B CYS A 131 ? 0.44490 0.56910 0.54940 -0.04030 -0.00180 -0.03370 131 CYS A CA +2038 C C . CYS A 131 ? 0.43700 0.56050 0.53710 -0.05200 0.00690 -0.03590 131 CYS A C +2039 O O . CYS A 131 ? 0.42390 0.53360 0.50750 -0.05670 0.00850 -0.03040 131 CYS A O +2040 C CB A CYS A 131 ? 0.47590 0.60730 0.58810 -0.03160 -0.00250 -0.03500 131 CYS A CB +2041 C CB B CYS A 131 ? 0.47640 0.60690 0.58770 -0.03130 -0.00280 -0.03440 131 CYS A CB +2042 S SG A CYS A 131 ? 0.46260 0.58920 0.57380 -0.01820 -0.01110 -0.03090 131 CYS A SG +2043 S SG B CYS A 131 ? 0.45930 0.57810 0.55610 -0.03140 -0.00050 -0.02770 131 CYS A SG +2054 N N . ILE A 132 ? 0.41640 0.55370 0.53100 -0.05700 0.01270 -0.04390 132 ILE A N +2055 C CA . ILE A 132 ? 0.47300 0.60740 0.58150 -0.06860 0.02310 -0.04640 132 ILE A CA +2056 C C . ILE A 132 ? 0.49110 0.61210 0.58430 -0.07840 0.02410 -0.04320 132 ILE A C +2057 O O . ILE A 132 ? 0.49010 0.59790 0.56610 -0.08680 0.02960 -0.04080 132 ILE A O +2058 C CB . ILE A 132 ? 0.47600 0.62880 0.60620 -0.07170 0.03080 -0.05600 132 ILE A CB +2059 C CG1 . ILE A 132 ? 0.48300 0.62990 0.60390 -0.08220 0.04380 -0.05850 132 ILE A CG1 +2060 C CG2 . ILE A 132 ? 0.45380 0.61660 0.59870 -0.07600 0.02920 -0.06050 132 ILE A CG2 +2061 C CD1 . ILE A 132 ? 0.53440 0.67170 0.64160 -0.07870 0.04560 -0.05520 132 ILE A CD1 +2073 N N . GLN A 133 ? 0.41800 0.53960 0.51470 -0.07770 0.01810 -0.04280 133 GLN A N +2074 C CA . GLN A 133 ? 0.51170 0.61870 0.59250 -0.08630 0.01860 -0.03940 133 GLN A CA +2075 C C . GLN A 133 ? 0.49440 0.58230 0.55470 -0.08290 0.01370 -0.02980 133 GLN A C +2076 O O . GLN A 133 ? 0.47540 0.54790 0.51800 -0.09090 0.01630 -0.02620 133 GLN A O +2077 C CB . GLN A 133 ? 0.41120 0.52260 0.50030 -0.08630 0.01320 -0.04170 133 GLN A CB +2078 C CG . GLN A 133 ? 0.42000 0.55090 0.53210 -0.09130 0.01720 -0.05110 133 GLN A CG +2079 C CD . GLN A 133 ? 0.46980 0.60450 0.59030 -0.09150 0.00970 -0.05340 133 GLN A CD +2080 O OE1 . GLN A 133 ? 0.52580 0.65070 0.63620 -0.09990 0.01030 -0.05240 133 GLN A OE1 +2081 N NE2 . GLN A 133 ? 0.44790 0.59500 0.58520 -0.08250 0.00210 -0.05640 133 GLN A NE2 +2090 N N . HIS A 134 ? 0.42010 0.50810 0.48310 -0.07110 0.00670 -0.02580 134 HIS A N +2091 C CA . HIS A 134 ? 0.45290 0.52520 0.50160 -0.06700 0.00240 -0.01680 134 HIS A CA +2092 C C . HIS A 134 ? 0.42450 0.48970 0.46260 -0.07190 0.00570 -0.01440 134 HIS A C +2093 O O . HIS A 134 ? 0.48180 0.53050 0.50360 -0.07640 0.00420 -0.00840 134 HIS A O +2094 C CB . HIS A 134 ? 0.48790 0.56390 0.54440 -0.05390 -0.00360 -0.01410 134 HIS A CB +2095 C CG . HIS A 134 ? 0.45680 0.51950 0.50430 -0.04860 -0.00760 -0.00520 134 HIS A CG +2096 N ND1 . HIS A 134 ? 0.47000 0.52470 0.51560 -0.04180 -0.01160 -0.00060 134 HIS A ND1 +2097 C CD2 . HIS A 134 ? 0.45400 0.51020 0.49540 -0.04880 -0.00840 -0.00010 134 HIS A CD2 +2098 C CE1 . HIS A 134 ? 0.49200 0.53760 0.53350 -0.03780 -0.01400 0.00690 134 HIS A CE1 +2099 N NE2 . HIS A 134 ? 0.43550 0.48200 0.47460 -0.04210 -0.01310 0.00750 134 HIS A NE2 +2107 N N . GLU A 135 ? 0.41490 0.49060 0.46080 -0.07150 0.01010 -0.01920 135 GLU A N +2108 C CA . GLU A 135 ? 0.50930 0.57590 0.54260 -0.07590 0.01290 -0.01700 135 GLU A CA +2109 C C . GLU A 135 ? 0.50800 0.56400 0.52640 -0.08960 0.02030 -0.01910 135 GLU A C +2110 O O . GLU A 135 ? 0.48130 0.51940 0.47990 -0.09500 0.01920 -0.01390 135 GLU A O +2111 C CB . GLU A 135 ? 0.51650 0.59550 0.56090 -0.07100 0.01600 -0.02170 135 GLU A CB +2112 C CG . GLU A 135 ? 0.55610 0.64350 0.61300 -0.05770 0.00910 -0.01980 135 GLU A CG +2113 C CD . GLU A 135 ? 0.64200 0.71700 0.68990 -0.05280 0.00180 -0.01050 135 GLU A CD +2114 O OE1 . GLU A 135 ? 0.67720 0.73750 0.70980 -0.05900 0.00050 -0.00530 135 GLU A OE1 +2115 O OE2 . GLU A 135 ? 0.64570 0.72520 0.70220 -0.04260 -0.00290 -0.00840 135 GLU A OE2 +2122 N N . CYS A 136 ? 0.45020 0.51610 0.47770 -0.09580 0.02780 -0.02660 136 CYS A N +2123 C CA . CYS A 136 ? 0.51420 0.56850 0.52670 -0.10970 0.03610 -0.02870 136 CYS A CA +2124 C C . CYS A 136 ? 0.58130 0.61630 0.57490 -0.11380 0.03050 -0.02160 136 CYS A C +2125 O O . CYS A 136 ? 0.62220 0.63780 0.59320 -0.12300 0.03310 -0.01890 136 CYS A O +2126 C CB . CYS A 136 ? 0.46560 0.53600 0.49560 -0.11550 0.04500 -0.03800 136 CYS A CB +2127 S SG . CYS A 136 ? 0.60660 0.69490 0.65510 -0.11430 0.05560 -0.04700 136 CYS A SG +2133 N N . ASP A 137 ? 0.46270 0.50080 0.46370 -0.10710 0.02300 -0.01870 137 ASP A N +2134 C CA . ASP A 137 ? 0.53240 0.55190 0.51700 -0.10890 0.01730 -0.01160 137 ASP A CA +2135 C C . ASP A 137 ? 0.56820 0.56970 0.53500 -0.10830 0.01210 -0.00350 137 ASP A C +2136 O O . ASP A 137 ? 0.52430 0.50580 0.47030 -0.11620 0.01140 0.00050 137 ASP A O +2137 C CB . ASP A 137 ? 0.47550 0.50000 0.47080 -0.09880 0.01000 -0.00910 137 ASP A CB +2138 C CG . ASP A 137 ? 0.52500 0.55660 0.52780 -0.10320 0.01260 -0.01480 137 ASP A CG +2139 O OD1 . ASP A 137 ? 0.56260 0.59820 0.56620 -0.11370 0.02050 -0.02100 137 ASP A OD1 +2140 O OD2 . ASP A 137 ? 0.50780 0.53970 0.51520 -0.09660 0.00710 -0.01320 137 ASP A OD2 +2145 N N . HIS A 138 ? 0.50410 0.51150 0.47860 -0.09920 0.00760 -0.00080 138 HIS A N +2146 C CA . HIS A 138 ? 0.49420 0.48560 0.45470 -0.09860 0.00090 0.00700 138 HIS A CA +2147 C C . HIS A 138 ? 0.55940 0.53470 0.49750 -0.11100 0.00570 0.00610 138 HIS A C +2148 O O . HIS A 138 ? 0.55300 0.50730 0.47150 -0.11510 -0.00030 0.01280 138 HIS A O +2149 C CB . HIS A 138 ? 0.48540 0.48670 0.45800 -0.08880 -0.00300 0.00860 138 HIS A CB +2150 C CG . HIS A 138 ? 0.48100 0.48830 0.46790 -0.07670 -0.01010 0.01340 138 HIS A CG +2151 N ND1 . HIS A 138 ? 0.45950 0.45410 0.44190 -0.07360 -0.01760 0.02190 138 HIS A ND1 +2152 C CD2 . HIS A 138 ? 0.53820 0.56140 0.54340 -0.06670 -0.01020 0.01100 138 HIS A CD2 +2153 C CE1 . HIS A 138 ? 0.50430 0.50710 0.50220 -0.06250 -0.02060 0.02430 138 HIS A CE1 +2154 N NE2 . HIS A 138 ? 0.45280 0.47180 0.46290 -0.05840 -0.01640 0.01780 138 HIS A NE2 +2162 N N . LEU A 139 ? 0.51100 0.49480 0.45140 -0.11660 0.01630 -0.00220 139 LEU A N +2163 C CA . LEU A 139 ? 0.53370 0.50060 0.45110 -0.12890 0.02340 -0.00410 139 LEU A CA +2164 C C . LEU A 139 ? 0.64960 0.59900 0.54790 -0.14020 0.02680 -0.00370 139 LEU A C +2165 O O . LEU A 139 ? 0.67970 0.60700 0.55150 -0.15080 0.03020 -0.00280 139 LEU A O +2166 C CB . LEU A 139 ? 0.64850 0.63000 0.57640 -0.13170 0.03630 -0.01390 139 LEU A CB +2167 C CG . LEU A 139 ? 0.58540 0.58270 0.53010 -0.12140 0.03470 -0.01550 139 LEU A CG +2168 C CD1 . LEU A 139 ? 0.60200 0.61190 0.55680 -0.12500 0.04870 -0.02550 139 LEU A CD1 +2169 C CD2 . LEU A 139 ? 0.59010 0.57170 0.51880 -0.11950 0.02650 -0.00850 139 LEU A CD2 +2181 N N . ASN A 140 ? 0.57780 0.53490 0.48680 -0.13890 0.02630 -0.00450 140 ASN A N +2182 C CA . ASN A 140 ? 0.67020 0.60980 0.56130 -0.14870 0.02800 -0.00320 140 ASN A CA +2183 C C . ASN A 140 ? 0.63390 0.55860 0.51600 -0.14340 0.01510 0.00660 140 ASN A C +2184 O O . ASN A 140 ? 0.65400 0.56630 0.52510 -0.14850 0.01470 0.00820 140 ASN A O +2185 C CB . ASN A 140 ? 0.55700 0.51300 0.46470 -0.15200 0.03620 -0.01090 140 ASN A CB +2186 C CG . ASN A 140 ? 0.66000 0.62910 0.57720 -0.15880 0.05010 -0.02070 140 ASN A CG +2187 O OD1 . ASN A 140 ? 0.66950 0.62550 0.56910 -0.16680 0.05730 -0.02200 140 ASN A OD1 +2188 N ND2 . ASN A 140 ? 0.69240 0.68640 0.63710 -0.15570 0.05390 -0.02750 140 ASN A ND2 +2195 N N . GLY A 141 ? 0.59260 0.51790 0.48010 -0.13320 0.00490 0.01300 141 GLY A N +2196 C CA . GLY A 141 ? 0.66770 0.58000 0.55060 -0.12740 -0.00680 0.02230 141 GLY A CA +2197 C C . GLY A 141 ? 0.63740 0.56040 0.53730 -0.11910 -0.00870 0.02290 141 GLY A C +2198 O O . GLY A 141 ? 0.61070 0.52010 0.50400 -0.11660 -0.01540 0.02940 141 GLY A O +2202 N N . LYS A 142 ? 0.60590 0.55140 0.52670 -0.11440 -0.00350 0.01630 142 LYS A N +2203 C CA . LYS A 142 ? 0.58210 0.53580 0.51620 -0.10730 -0.00500 0.01600 142 LYS A CA +2204 C C . LYS A 142 ? 0.54320 0.51200 0.49760 -0.09350 -0.00920 0.01760 142 LYS A C +2205 O O . LYS A 142 ? 0.55140 0.53370 0.51610 -0.09060 -0.00750 0.01440 142 LYS A O +2206 C CB . LYS A 142 ? 0.57170 0.53690 0.51200 -0.11390 0.00340 0.00700 142 LYS A CB +2207 C CG . LYS A 142 ? 0.71040 0.67980 0.65950 -0.10860 0.00120 0.00640 142 LYS A CG +2208 C CD . LYS A 142 ? 0.90310 0.88020 0.85580 -0.11790 0.00810 -0.00190 142 LYS A CD +2209 C CE . LYS A 142 ? 1.07590 1.04330 1.02300 -0.11800 0.00540 -0.00040 142 LYS A CE +2210 N NZ . LYS A 142 ? 0.97810 0.95380 0.93090 -0.12720 0.01060 -0.00850 142 LYS A NZ +2224 N N . LEU A 143 ? 0.51670 0.48140 0.47550 -0.08520 -0.01400 0.02240 143 LEU A N +2225 C CA . LEU A 143 ? 0.53610 0.51080 0.51160 -0.07220 -0.01700 0.02450 143 LEU A CA +2226 C C . LEU A 143 ? 0.47890 0.45860 0.46060 -0.06850 -0.01490 0.02080 143 LEU A C +2227 O O . LEU A 143 ? 0.52290 0.49420 0.49510 -0.07470 -0.01320 0.01930 143 LEU A O +2228 C CB . LEU A 143 ? 0.55360 0.51620 0.52870 -0.06510 -0.02380 0.03430 143 LEU A CB +2229 C CG . LEU A 143 ? 0.62320 0.57610 0.58940 -0.06940 -0.02900 0.03940 143 LEU A CG +2230 C CD1 . LEU A 143 ? 0.60610 0.54570 0.57310 -0.06350 -0.03680 0.04920 143 LEU A CD1 +2231 C CD2 . LEU A 143 ? 0.56920 0.53580 0.54520 -0.06680 -0.02870 0.03720 143 LEU A CD2 +2243 N N . PHE A 144 ? 0.47070 0.46180 0.46640 -0.05870 -0.01540 0.01950 144 PHE A N +2244 C CA . PHE A 144 ? 0.45400 0.44810 0.45310 -0.05570 -0.01430 0.01540 144 PHE A CA +2245 C C . PHE A 144 ? 0.46440 0.44130 0.45440 -0.05280 -0.01560 0.02050 144 PHE A C +2246 O O . PHE A 144 ? 0.52870 0.50210 0.51430 -0.05450 -0.01460 0.01710 144 PHE A O +2247 C CB . PHE A 144 ? 0.49170 0.49910 0.50470 -0.04610 -0.01490 0.01290 144 PHE A CB +2248 C CG . PHE A 144 ? 0.46060 0.46130 0.47690 -0.03470 -0.01670 0.01930 144 PHE A CG +2249 C CD1 . PHE A 144 ? 0.50530 0.49660 0.51810 -0.02900 -0.01630 0.02040 144 PHE A CD1 +2250 C CD2 . PHE A 144 ? 0.49880 0.50220 0.52180 -0.03010 -0.01810 0.02400 144 PHE A CD2 +2251 C CE1 . PHE A 144 ? 0.56450 0.54900 0.58100 -0.01860 -0.01580 0.02600 144 PHE A CE1 +2252 C CE2 . PHE A 144 ? 0.51700 0.51550 0.54600 -0.02000 -0.01860 0.02970 144 PHE A CE2 +2253 C CZ . PHE A 144 ? 0.46730 0.45630 0.49330 -0.01420 -0.01670 0.03060 144 PHE A CZ +2263 N N . VAL A 145 ? 0.50690 0.47220 0.49410 -0.04870 -0.01790 0.02850 145 VAL A N +2264 C CA . VAL A 145 ? 0.49440 0.44230 0.47350 -0.04560 -0.01840 0.03360 145 VAL A CA +2265 C C . VAL A 145 ? 0.53050 0.46630 0.49340 -0.05640 -0.01760 0.03210 145 VAL A C +2266 O O . VAL A 145 ? 0.56860 0.48980 0.52280 -0.05500 -0.01710 0.03420 145 VAL A O +2267 C CB . VAL A 145 ? 0.54790 0.48740 0.53140 -0.03880 -0.02160 0.04270 145 VAL A CB +2268 C CG1 . VAL A 145 ? 0.57630 0.52640 0.57620 -0.02820 -0.02120 0.04410 145 VAL A CG1 +2269 C CG2 . VAL A 145 ? 0.58390 0.52020 0.56150 -0.04640 -0.02580 0.04560 145 VAL A CG2 +2279 N N . ASP A 146 ? 0.53150 0.47160 0.48900 -0.06740 -0.01660 0.02840 146 ASP A N +2280 C CA . ASP A 146 ? 0.58670 0.51520 0.52820 -0.07880 -0.01480 0.02640 146 ASP A CA +2281 C C . ASP A 146 ? 0.66150 0.59370 0.60310 -0.08180 -0.01200 0.01980 146 ASP A C +2282 O O . ASP A 146 ? 0.61730 0.53700 0.54540 -0.08980 -0.01070 0.01880 146 ASP A O +2283 C CB . ASP A 146 ? 0.52560 0.45700 0.46110 -0.09010 -0.01260 0.02350 146 ASP A CB +2284 C CG . ASP A 146 ? 0.68700 0.61040 0.61790 -0.08860 -0.01700 0.03050 146 ASP A CG +2285 O OD1 . ASP A 146 ? 0.65190 0.56290 0.58100 -0.08180 -0.02230 0.03820 146 ASP A OD1 +2286 O OD2 . ASP A 146 ? 0.65390 0.58310 0.58370 -0.09420 -0.01550 0.02810 146 ASP A OD2 +2291 N N . TYR A 147 ? 0.57740 0.52500 0.53300 -0.07590 -0.01200 0.01530 147 TYR A N +2292 C CA . TYR A 147 ? 0.53720 0.48720 0.49320 -0.07790 -0.01170 0.00940 147 TYR A CA +2293 C C . TYR A 147 ? 0.61510 0.54960 0.56370 -0.06960 -0.01320 0.01310 147 TYR A C +2294 O O . TYR A 147 ? 0.59330 0.52410 0.53730 -0.07170 -0.01400 0.00910 147 TYR A O +2295 C CB . TYR A 147 ? 0.54200 0.51380 0.51530 -0.07540 -0.01220 0.00270 147 TYR A CB +2296 C CG . TYR A 147 ? 0.55270 0.54060 0.53480 -0.08360 -0.00900 -0.00240 147 TYR A CG +2297 C CD1 . TYR A 147 ? 0.53640 0.53060 0.52340 -0.08100 -0.00790 -0.00010 147 TYR A CD1 +2298 C CD2 . TYR A 147 ? 0.65300 0.64890 0.63880 -0.09440 -0.00640 -0.00970 147 TYR A CD2 +2299 C CE1 . TYR A 147 ? 0.53240 0.53850 0.52510 -0.08850 -0.00370 -0.00490 147 TYR A CE1 +2300 C CE2 . TYR A 147 ? 0.59520 0.60500 0.58990 -0.10180 -0.00150 -0.01460 147 TYR A CE2 +2301 C CZ . TYR A 147 ? 0.59840 0.61230 0.59520 -0.09880 0.00030 -0.01230 147 TYR A CZ +2302 O OH . TYR A 147 ? 0.61990 0.64510 0.62330 -0.10630 0.00660 -0.01750 147 TYR A OH +2312 N N . LEU A 148 ? 0.55940 0.48440 0.50730 -0.06020 -0.01360 0.02050 148 LEU A N +2313 C CA . LEU A 148 ? 0.51180 0.42170 0.45400 -0.05110 -0.01310 0.02400 148 LEU A CA +2314 C C . LEU A 148 ? 0.70440 0.59190 0.62950 -0.05490 -0.01220 0.02780 148 LEU A C +2315 O O . LEU A 148 ? 0.57070 0.45370 0.48840 -0.06380 -0.01270 0.02870 148 LEU A O +2316 C CB . LEU A 148 ? 0.54750 0.45910 0.50070 -0.03890 -0.01260 0.02990 148 LEU A CB +2317 C CG . LEU A 148 ? 0.54260 0.47470 0.51150 -0.03500 -0.01340 0.02690 148 LEU A CG +2318 C CD1 . LEU A 148 ? 0.57120 0.50300 0.55050 -0.02380 -0.01250 0.03330 148 LEU A CD1 +2319 C CD2 . LEU A 148 ? 0.53380 0.47170 0.50300 -0.03400 -0.01390 0.01990 148 LEU A CD2 +2331 N N . SER A 149 ? 0.63000 0.50120 0.54700 -0.04810 -0.01050 0.02990 149 SER A N +2332 C CA . SER A 149 ? 0.61940 0.46760 0.52010 -0.05010 -0.00920 0.03370 149 SER A CA +2333 C C . SER A 149 ? 0.62510 0.46680 0.52950 -0.04570 -0.00990 0.04200 149 SER A C +2334 O O . SER A 149 ? 0.61390 0.46670 0.53390 -0.03880 -0.01080 0.04540 149 SER A O +2335 C CB . SER A 149 ? 0.70050 0.53050 0.59090 -0.04280 -0.00610 0.03430 149 SER A CB +2336 O OG . SER A 149 ? 0.73030 0.55690 0.63010 -0.02960 -0.00290 0.04020 149 SER A OG +2342 N N . THR A 150 ? 0.75860 0.46360 0.49670 -0.00880 -0.13420 0.03550 150 THR A N +2343 C CA . THR A 150 ? 0.77650 0.50790 0.55120 0.01030 -0.12760 0.02600 150 THR A CA +2344 C C . THR A 150 ? 0.67860 0.43510 0.47550 0.01910 -0.10330 0.02920 150 THR A C +2345 O O . THR A 150 ? 0.67850 0.47500 0.53080 0.02430 -0.10040 0.02920 150 THR A O +2346 C CB . THR A 150 ? 0.74670 0.44900 0.48230 0.02520 -0.12960 0.01460 150 THR A CB +2347 O OG1 . THR A 150 ? 0.81330 0.49770 0.53650 0.01670 -0.15360 0.01210 150 THR A OG1 +2348 C CG2 . THR A 150 ? 0.73450 0.46310 0.50510 0.04610 -0.12120 0.00610 150 THR A CG2 +2356 N N . LEU A 151 ? 0.73800 0.47090 0.49180 0.02010 -0.08580 0.03270 151 LEU A N +2357 C CA . LEU A 151 ? 0.82060 0.57510 0.59290 0.02990 -0.06080 0.03610 151 LEU A CA +2358 C C . LEU A 151 ? 0.75230 0.54150 0.57060 0.01630 -0.05940 0.04660 151 LEU A C +2359 O O . LEU A 151 ? 0.66580 0.49170 0.52930 0.02440 -0.04680 0.04850 151 LEU A O +2360 C CB . LEU A 151 ? 0.81110 0.52710 0.52130 0.03380 -0.04140 0.03690 151 LEU A CB +2361 C CG . LEU A 151 ? 0.84270 0.52340 0.50530 0.05000 -0.03560 0.02680 151 LEU A CG +2362 C CD1 . LEU A 151 ? 0.84840 0.48780 0.44650 0.05000 -0.01580 0.02890 151 LEU A CD1 +2363 C CD2 . LEU A 151 ? 0.88510 0.59280 0.58490 0.07370 -0.02470 0.02020 151 LEU A CD2 +2375 N N . LYS A 152 ? 0.71500 0.49390 0.52300 -0.00440 -0.07190 0.05440 152 LYS A N +2376 C CA . LYS A 152 ? 0.71310 0.52400 0.56500 -0.01740 -0.07050 0.06450 152 LYS A CA +2377 C C . LYS A 152 ? 0.63390 0.48430 0.54940 -0.01620 -0.08130 0.06200 152 LYS A C +2378 O O . LYS A 152 ? 0.58450 0.47120 0.54590 -0.01540 -0.07180 0.06600 152 LYS A O +2379 C CB . LYS A 152 ? 0.68760 0.47960 0.51710 -0.03970 -0.08230 0.07460 152 LYS A CB +2380 C CG . LYS A 152 ? 0.72180 0.54650 0.59760 -0.05320 -0.08070 0.08550 152 LYS A CG +2381 C CD . LYS A 152 ? 0.78790 0.59330 0.63690 -0.07360 -0.08610 0.09790 152 LYS A CD +2382 C CE . LYS A 152 ? 0.90900 0.69110 0.71040 -0.07390 -0.06820 0.10180 152 LYS A CE +2383 N NZ . LYS A 152 ? 1.11500 0.88790 0.90150 -0.09500 -0.07140 0.11610 152 LYS A NZ +2397 N N . ARG A 153 ? 0.61840 0.46120 0.53620 -0.01650 -0.10120 0.05540 153 ARG A N +2398 C CA . ARG A 153 ? 0.58530 0.46160 0.55910 -0.01590 -0.11180 0.05220 153 ARG A CA +2399 C C . ARG A 153 ? 0.55300 0.45880 0.55890 0.00190 -0.09900 0.04700 153 ARG A C +2400 O O . ARG A 153 ? 0.51390 0.45680 0.57220 -0.00010 -0.09930 0.04900 153 ARG A O +2401 C CB . ARG A 153 ? 0.63490 0.49370 0.59970 -0.01730 -0.13390 0.04520 153 ARG A CB +2402 C CG . ARG A 153 ? 0.60530 0.49530 0.62510 -0.01820 -0.14550 0.04150 153 ARG A CG +2403 C CD . ARG A 153 ? 0.68500 0.55580 0.69620 -0.02340 -0.16770 0.03680 153 ARG A CD +2404 N NE . ARG A 153 ? 0.61810 0.45750 0.58340 -0.01190 -0.17140 0.02850 153 ARG A NE +2405 C CZ . ARG A 153 ? 0.70670 0.50940 0.62210 -0.01750 -0.17670 0.03080 153 ARG A CZ +2406 N NH1 . ARG A 153 ? 0.74300 0.53590 0.64850 -0.03470 -0.18080 0.04200 153 ARG A NH1 +2407 N NH2 . ARG A 153 ? 0.75410 0.52940 0.62830 -0.00600 -0.17800 0.02250 153 ARG A NH2 +2421 N N . ASP A 154 ? 0.62110 0.51070 0.59620 0.01910 -0.08740 0.04100 154 ASP A N +2422 C CA . ASP A 154 ? 0.57850 0.49730 0.58640 0.03700 -0.07590 0.03740 154 ASP A CA +2423 C C . ASP A 154 ? 0.51660 0.46440 0.55200 0.03840 -0.05500 0.04640 154 ASP A C +2424 O O . ASP A 154 ? 0.51490 0.50140 0.59920 0.04520 -0.05020 0.04780 154 ASP A O +2425 C CB . ASP A 154 ? 0.55550 0.44760 0.52280 0.05620 -0.06780 0.02930 154 ASP A CB +2426 C CG . ASP A 154 ? 0.60120 0.52320 0.60560 0.07500 -0.06150 0.02540 154 ASP A CG +2427 O OD1 . ASP A 154 ? 0.59270 0.54310 0.64210 0.07170 -0.07620 0.02360 154 ASP A OD1 +2428 O OD2 . ASP A 154 ? 0.63590 0.55200 0.62370 0.09270 -0.04200 0.02460 154 ASP A OD2 +2433 N N . ARG A 155 ? 0.54420 0.47340 0.54770 0.03180 -0.04260 0.05290 155 ARG A N +2434 C CA . ARG A 155 ? 0.55970 0.51560 0.58900 0.03100 -0.02350 0.06220 155 ARG A CA +2435 C C . ARG A 155 ? 0.52100 0.51400 0.60590 0.01600 -0.03330 0.06810 155 ARG A C +2436 O O . ARG A 155 ? 0.53620 0.56700 0.66570 0.01950 -0.02300 0.07290 155 ARG A O +2437 C CB . ARG A 155 ? 0.71760 0.64230 0.69790 0.02400 -0.01080 0.06790 155 ARG A CB +2438 C CG . ARG A 155 ? 0.94860 0.88060 0.92560 0.03630 0.01770 0.07260 155 ARG A CG +2439 C CD . ARG A 155 ? 1.10610 0.99320 1.01650 0.03410 0.03100 0.07450 155 ARG A CD +2440 N NE . ARG A 155 ? 1.37210 1.23200 1.25010 0.01300 0.01490 0.07740 155 ARG A NE +2441 C CZ . ARG A 155 ? 1.12050 0.93490 0.93920 0.00950 0.00720 0.07320 155 ARG A CZ +2442 N NH1 . ARG A 155 ? 1.09550 0.88340 0.87750 0.02550 0.01410 0.06470 155 ARG A NH1 +2443 N NH2 . ARG A 155 ? 0.98150 0.77660 0.77710 -0.01090 -0.00760 0.07870 155 ARG A NH2 +2457 N N . ILE A 156 ? 0.48390 0.46610 0.56650 -0.00110 -0.05290 0.06860 156 ILE A N +2458 C CA . ILE A 156 ? 0.47210 0.48530 0.60490 -0.01560 -0.06220 0.07360 156 ILE A CA +2459 C C . ILE A 156 ? 0.48250 0.52680 0.66110 -0.00810 -0.06950 0.06810 156 ILE A C +2460 O O . ILE A 156 ? 0.44200 0.52330 0.66840 -0.01200 -0.06590 0.07290 156 ILE A O +2461 C CB . ILE A 156 ? 0.47880 0.47010 0.59690 -0.03380 -0.08070 0.07570 156 ILE A CB +2462 C CG1 . ILE A 156 ? 0.58540 0.55230 0.66470 -0.04380 -0.07330 0.08420 156 ILE A CG1 +2463 C CG2 . ILE A 156 ? 0.48090 0.50040 0.64970 -0.04730 -0.09090 0.07930 156 ILE A CG2 +2464 C CD1 . ILE A 156 ? 0.60200 0.54630 0.66460 -0.06130 -0.09080 0.08880 156 ILE A CD1 +2476 N N . ARG A 157 ? 0.50040 0.53010 0.66440 0.00210 -0.08010 0.05830 157 ARG A N +2477 C CA . ARG A 157 ? 0.42460 0.48240 0.63030 0.00790 -0.08900 0.05320 157 ARG A CA +2478 C C . ARG A 157 ? 0.50360 0.59610 0.74100 0.02130 -0.07160 0.05700 157 ARG A C +2479 O O . ARG A 157 ? 0.47440 0.60420 0.76160 0.01730 -0.07410 0.06020 157 ARG A O +2480 C CB . ARG A 157 ? 0.50280 0.53660 0.68340 0.01760 -0.10230 0.04220 157 ARG A CB +2481 C CG . ARG A 157 ? 0.51640 0.57810 0.73730 0.02470 -0.11160 0.03680 157 ARG A CG +2482 C CD . ARG A 157 ? 0.59960 0.63620 0.79790 0.02970 -0.12920 0.02590 157 ARG A CD +2483 N NE . ARG A 157 ? 0.51450 0.51290 0.65750 0.03970 -0.12360 0.02190 157 ARG A NE +2484 C CZ . ARG A 157 ? 0.58270 0.54370 0.68430 0.03230 -0.13440 0.01910 157 ARG A CZ +2485 N NH1 . ARG A 157 ? 0.63920 0.59430 0.74890 0.01770 -0.15320 0.01830 157 ARG A NH1 +2486 N NH2 . ARG A 157 ? 0.56180 0.48980 0.61210 0.03930 -0.12570 0.01780 157 ARG A NH2 +2500 N N . LYS A 158 ? 0.45940 0.53950 0.66810 0.03690 -0.05310 0.05750 158 LYS A N +2501 C CA . LYS A 158 ? 0.50020 0.61260 0.73890 0.05170 -0.03480 0.06240 158 LYS A CA +2502 C C . LYS A 158 ? 0.48040 0.62440 0.75490 0.04140 -0.02430 0.07360 158 LYS A C +2503 O O . LYS A 158 ? 0.44460 0.62930 0.76670 0.04540 -0.01890 0.07900 158 LYS A O +2504 C CB . LYS A 158 ? 0.55050 0.63710 0.74580 0.07060 -0.01520 0.06090 158 LYS A CB +2505 C CG . LYS A 158 ? 0.59050 0.67040 0.77770 0.08950 -0.01760 0.05280 158 LYS A CG +2506 C CD . LYS A 158 ? 0.61070 0.66840 0.78170 0.08290 -0.04310 0.04240 158 LYS A CD +2507 C CE . LYS A 158 ? 0.69880 0.74240 0.85110 0.10290 -0.04290 0.03410 158 LYS A CE +2508 N NZ . LYS A 158 ? 0.64120 0.66190 0.77580 0.09770 -0.06710 0.02370 158 LYS A NZ +2522 N N . LYS A 159 ? 0.45100 0.57780 0.70410 0.02760 -0.02150 0.07790 159 LYS A N +2523 C CA . LYS A 159 ? 0.49230 0.64840 0.77910 0.01710 -0.01190 0.08840 159 LYS A CA +2524 C C . LYS A 159 ? 0.43360 0.62200 0.77180 0.00300 -0.02760 0.08990 159 LYS A C +2525 O O . LYS A 159 ? 0.42830 0.65530 0.81090 0.00170 -0.02060 0.09700 159 LYS A O +2526 C CB . LYS A 159 ? 0.52490 0.65460 0.77710 0.00420 -0.00740 0.09290 159 LYS A CB +2527 C CG . LYS A 159 ? 0.59790 0.70650 0.80980 0.01580 0.01510 0.09540 159 LYS A CG +2528 C CD . LYS A 159 ? 0.80470 0.87620 0.96940 0.00230 0.01340 0.09750 159 LYS A CD +2529 C CE . LYS A 159 ? 0.80110 0.87140 0.95240 0.00220 0.03610 0.10620 159 LYS A CE +2530 N NZ . LYS A 159 ? 1.10190 1.13510 1.20540 -0.01230 0.03260 0.10890 159 LYS A NZ +2544 N N . LEU A 160 ? 0.49810 0.67030 0.83030 -0.00810 -0.04870 0.08370 160 LEU A N +2545 C CA . LEU A 160 ? 0.50030 0.69800 0.87700 -0.02250 -0.06310 0.08460 160 LEU A CA +2546 C C . LEU A 160 ? 0.46880 0.69670 0.88140 -0.01280 -0.06740 0.08180 160 LEU A C +2547 O O . LEU A 160 ? 0.43620 0.69940 0.89420 -0.02090 -0.06880 0.08710 160 LEU A O +2548 C CB . LEU A 160 ? 0.41740 0.58710 0.77630 -0.03600 -0.08290 0.07920 160 LEU A CB +2549 C CG . LEU A 160 ? 0.44880 0.60300 0.79340 -0.05210 -0.08100 0.08630 160 LEU A CG +2550 C CD1 . LEU A 160 ? 0.44520 0.56650 0.76450 -0.06140 -0.09880 0.08190 160 LEU A CD1 +2551 C CD2 . LEU A 160 ? 0.42630 0.61290 0.81570 -0.06640 -0.07750 0.09450 160 LEU A CD2 +2563 N N . GLU A 161 ? 0.49310 0.70780 0.88580 0.00380 -0.06940 0.07440 161 GLU A N +2564 C CA . GLU A 161 ? 0.45970 0.70450 0.88700 0.01400 -0.07260 0.07330 161 GLU A CA +2565 C C . GLU A 161 ? 0.51590 0.80100 0.98020 0.02020 -0.05460 0.08440 161 GLU A C +2566 O O . GLU A 161 ? 0.51130 0.83370 1.02160 0.01710 -0.05980 0.08860 161 GLU A O +2567 C CB . GLU A 161 ? 0.49920 0.72220 0.89600 0.03330 -0.07360 0.06480 161 GLU A CB +2568 C CG . GLU A 161 ? 0.62540 0.82070 1.00180 0.02740 -0.09580 0.05380 161 GLU A CG +2569 C CD . GLU A 161 ? 0.71690 0.88730 1.05910 0.04610 -0.09670 0.04510 161 GLU A CD +2570 O OE1 . GLU A 161 ? 0.66780 0.83290 0.99120 0.06290 -0.07830 0.04710 161 GLU A OE1 +2571 O OE2 . GLU A 161 ? 0.63220 0.78670 0.96530 0.04370 -0.11520 0.03620 161 GLU A OE2 +2578 N N . LYS A 162 ? 0.51160 0.78960 0.95620 0.02830 -0.03350 0.09000 162 LYS A N +2579 C CA . LYS A 162 ? 0.59640 0.91210 1.07590 0.03440 -0.01470 0.10180 162 LYS A CA +2580 C C . LYS A 162 ? 0.61530 0.96040 1.13500 0.01400 -0.01890 0.10950 162 LYS A C +2581 O O . LYS A 162 ? 0.51070 0.89770 1.07790 0.01300 -0.01730 0.11730 162 LYS A O +2582 C CB . LYS A 162 ? 0.51990 0.81620 0.96450 0.04660 0.00940 0.10550 162 LYS A CB +2583 C CG . LYS A 162 ? 0.60830 0.94140 1.08690 0.05540 0.03110 0.11820 162 LYS A CG +2584 C CD . LYS A 162 ? 0.79790 1.10650 1.23670 0.06840 0.05620 0.12100 162 LYS A CD +2585 C CE . LYS A 162 ? 0.97400 1.31900 1.44730 0.07830 0.07940 0.13450 162 LYS A CE +2586 N NZ . LYS A 162 ? 1.07820 1.39590 1.50990 0.09040 0.10530 0.13700 162 LYS A NZ +2600 N N . GLN A 163 ? 0.53770 0.86150 1.03910 -0.00280 -0.02400 0.10840 163 GLN A N +2601 C CA . GLN A 163 ? 0.58170 0.92990 1.11900 -0.02290 -0.02810 0.11520 163 GLN A CA +2602 C C . GLN A 163 ? 0.53430 0.90660 1.11030 -0.03230 -0.04650 0.11320 163 GLN A C +2603 O O . GLN A 163 ? 0.50630 0.91490 1.12530 -0.04160 -0.04560 0.12120 163 GLN A O +2604 C CB . GLN A 163 ? 0.56320 0.88080 1.07290 -0.03920 -0.03340 0.11360 163 GLN A CB +2605 C CG . GLN A 163 ? 0.65620 0.95680 1.13510 -0.03550 -0.01490 0.11870 163 GLN A CG +2606 C CD . GLN A 163 ? 0.90080 1.16900 1.34940 -0.05070 -0.02200 0.11780 163 GLN A CD +2607 O OE1 . GLN A 163 ? 0.85880 1.09440 1.26220 -0.04620 -0.01620 0.11640 163 GLN A OE1 +2608 N NE2 . GLN A 163 ? 0.86850 1.14480 1.34120 -0.06940 -0.03420 0.11940 163 GLN A NE2 +2617 N N . HIS A 164 ? 0.49110 0.84290 1.05130 -0.03060 -0.06340 0.10270 164 HIS A N +2618 C CA . HIS A 164 ? 0.53170 0.90160 1.12380 -0.04100 -0.08190 0.10000 164 HIS A CA +2619 C C . HIS A 164 ? 0.56180 0.97100 1.18990 -0.03050 -0.07820 0.10540 164 HIS A C +2620 O O . HIS A 164 ? 0.64230 1.05840 1.27170 -0.04060 -0.08170 0.10270 164 HIS A O +2621 C CB . HIS A 164 ? 0.45130 0.78730 1.01460 -0.04070 -0.09980 0.08750 164 HIS A CB +2622 C CG . HIS A 164 ? 0.43800 0.73770 0.97040 -0.05340 -0.10570 0.08370 164 HIS A CG +2623 N ND1 . HIS A 164 ? 0.40260 0.66490 0.89830 -0.05060 -0.11710 0.07410 164 HIS A ND1 +2624 C CD2 . HIS A 164 ? 0.43200 0.72840 0.96640 -0.06900 -0.10160 0.08960 164 HIS A CD2 +2625 C CE1 . HIS A 164 ? 0.44750 0.68560 0.92470 -0.06380 -0.11970 0.07510 164 HIS A CE1 +2626 N NE2 . HIS A 164 ? 0.44200 0.70010 0.94240 -0.07510 -0.11040 0.08430 164 HIS A NE2 +2634 N N . ARG A 165 ? 0.65770 1.06910 1.27650 -0.00800 -0.06590 0.10660 165 ARG A N +2635 C CA . ARG A 165 ? 0.66780 1.11990 1.32520 0.00340 -0.06060 0.11470 165 ARG A CA +2636 C C . ARG A 165 ? 0.73100 1.21750 1.42110 -0.00550 -0.04980 0.12660 165 ARG A C +2637 O O . ARG A 165 ? 0.83630 1.34020 1.53730 -0.00910 -0.05300 0.12690 165 ARG A O +2638 C CB . ARG A 165 ? 0.63640 1.07910 1.27130 0.03020 -0.04390 0.11480 165 ARG A CB +2639 C CG . ARG A 165 ? 0.72150 1.14030 1.33170 0.04170 -0.05580 0.10330 165 ARG A CG +2640 C CD . ARG A 165 ? 0.75920 1.16340 1.34180 0.06810 -0.03700 0.10320 165 ARG A CD +2641 N NE . ARG A 165 ? 0.82370 1.17600 1.34730 0.07160 -0.03720 0.09180 165 ARG A NE +2642 C CZ . ARG A 165 ? 0.83400 1.16090 1.32040 0.08060 -0.01800 0.09270 165 ARG A CZ +2643 N NH1 . ARG A 165 ? 0.72180 1.06870 1.22190 0.09050 0.00530 0.10370 165 ARG A NH1 +2644 N NH2 . ARG A 165 ? 0.99490 1.27480 1.42840 0.07910 -0.02220 0.08280 165 ARG A NH2 +2658 N N . GLN A 166 ? 0.73070 1.21560 1.41850 -0.00970 -0.03600 0.13310 166 GLN A N +2659 C CA . GLN A 166 ? 0.66870 1.18010 1.38060 -0.02000 -0.02660 0.14260 166 GLN A CA +2660 C C . GLN A 166 ? 0.76990 1.26480 1.46610 -0.04350 -0.04180 0.13330 166 GLN A C +2661 O O . GLN A 166 ? 0.77880 1.29170 1.48770 -0.05100 -0.04030 0.13630 166 GLN A O +2662 C CB . GLN A 166 ? 0.66160 1.16810 1.36490 -0.01770 -0.00690 0.15000 166 GLN A CB +2663 C CG . GLN A 166 ? 0.80190 1.32540 1.52420 -0.03510 -0.00240 0.15720 166 GLN A CG +2664 C CD . GLN A 166 ? 0.88930 1.41900 1.61060 -0.02780 0.02180 0.16750 166 GLN A CD +2665 O OE1 . GLN A 166 ? 0.91800 1.42980 1.61000 -0.00850 0.03660 0.16620 166 GLN A OE1 +2666 N NE2 . GLN A 166 ? 0.93450 1.47630 1.66970 -0.04290 0.02620 0.17360 166 GLN A NE2 +2675 N N . GLN A 167 ? 0.79880 1.25840 1.46580 -0.05400 -0.05510 0.12260 167 GLN A N +2676 C CA . GLN A 167 ? 0.93520 1.37470 1.58200 -0.07280 -0.06610 0.11360 167 GLN A CA +2677 C C . GLN A 167 ? 0.96020 1.40570 1.60730 -0.07440 -0.07640 0.10750 167 GLN A C +2678 O O . GLN A 167 ? 0.88630 1.32700 1.52620 -0.08830 -0.08050 0.10370 167 GLN A O +2679 C CB . GLN A 167 ? 1.02640 1.42470 1.63940 -0.07990 -0.07560 0.10440 167 GLN A CB +2680 C CG . GLN A 167 ? 1.32680 1.69920 1.91400 -0.09580 -0.08330 0.09540 167 GLN A CG +2681 C CD . GLN A 167 ? 1.39510 1.72660 1.94730 -0.09830 -0.09270 0.08620 167 GLN A CD +2682 O OE1 . GLN A 167 ? 1.14340 1.46360 1.68970 -0.09250 -0.09330 0.08770 167 GLN A OE1 +2683 N NE2 . GLN A 167 ? 1.59410 1.90320 2.12280 -0.10630 -0.09940 0.07740 167 GLN A NE2 +2692 N N . ALA A 168 ? 0.90840 1.36410 1.56320 -0.06030 -0.07980 0.10690 168 ALA A N +2693 C CA . ALA A 168 ? 0.91370 1.37660 1.56940 -0.06160 -0.08920 0.10230 168 ALA A CA +2694 C C . ALA A 168 ? 1.02850 1.53200 1.71850 -0.05030 -0.08080 0.11340 168 ALA A C +2695 O O . ALA A 168 ? 1.03490 1.54990 1.73080 -0.05030 -0.08760 0.11210 168 ALA A O +2696 C CB . ALA A 168 ? 0.77250 1.21140 1.40520 -0.05510 -0.10120 0.09180 168 ALA A CB +2697 O OXT . ALA A 168 ? 0.83690 1.36210 1.54880 -0.04040 -0.06580 0.12470 168 ALA A OXT +2703 N N . ASP B 1 ? 1.13640 1.18600 1.08920 -0.12960 0.05300 0.07270 1 ASP B N +2704 C CA . ASP B 1 ? 1.01530 1.07720 0.98770 -0.12070 0.03810 0.07500 1 ASP B CA +2705 C C . ASP B 1 ? 0.89690 0.95800 0.87870 -0.10120 0.02690 0.07130 1 ASP B C +2706 O O . ASP B 1 ? 0.84660 0.89900 0.82080 -0.09520 0.02990 0.06720 1 ASP B O +2707 C CB . ASP B 1 ? 1.14540 1.21970 1.13040 -0.13960 0.02500 0.08180 1 ASP B CB +2708 C CG . ASP B 1 ? 1.13160 1.20480 1.11680 -0.15160 0.01750 0.08300 1 ASP B CG +2709 O OD1 . ASP B 1 ? 1.11770 1.18410 1.08850 -0.16600 0.02760 0.08310 1 ASP B OD1 +2710 O OD2 . ASP B 1 ? 0.96290 1.04140 0.96240 -0.14610 0.00190 0.08370 1 ASP B OD2 +2717 N N . TYR B 2 ? 0.72660 0.79730 0.72530 -0.09200 0.01360 0.07290 2 TYR B N +2718 C CA . TYR B 2 ? 0.76800 0.83790 0.77590 -0.07200 0.00310 0.06900 2 TYR B CA +2719 C C . TYR B 2 ? 0.74440 0.81300 0.75630 -0.07680 -0.00720 0.06840 2 TYR B C +2720 O O . TYR B 2 ? 0.71490 0.77540 0.72130 -0.06500 -0.00510 0.06320 2 TYR B O +2721 C CB . TYR B 2 ? 0.78410 0.86510 0.80980 -0.06450 -0.00970 0.07180 2 TYR B CB +2722 C CG . TYR B 2 ? 0.83420 0.91610 0.87220 -0.04710 -0.02400 0.06870 2 TYR B CG +2723 C CD1 . TYR B 2 ? 0.80660 0.88230 0.84130 -0.02410 -0.02050 0.06280 2 TYR B CD1 +2724 C CD2 . TYR B 2 ? 0.82080 0.90980 0.87380 -0.05360 -0.04110 0.07170 2 TYR B CD2 +2725 C CE1 . TYR B 2 ? 0.84540 0.92170 0.89100 -0.00850 -0.03390 0.05960 2 TYR B CE1 +2726 C CE2 . TYR B 2 ? 0.79840 0.88770 0.86270 -0.03820 -0.05420 0.06870 2 TYR B CE2 +2727 C CZ . TYR B 2 ? 0.85880 0.94180 0.91940 -0.01590 -0.05080 0.06250 2 TYR B CZ +2728 O OH . TYR B 2 ? 0.91230 0.99530 0.98380 -0.00070 -0.06410 0.05900 2 TYR B OH +2738 N N . ILE B 3 ? 0.71690 0.79370 0.73860 -0.09390 -0.01820 0.07390 3 ILE B N +2739 C CA . ILE B 3 ? 0.74810 0.82470 0.77580 -0.09830 -0.02910 0.07410 3 ILE B CA +2740 C C . ILE B 3 ? 0.60840 0.67370 0.61950 -0.10220 -0.01730 0.07080 3 ILE B C +2741 O O . ILE B 3 ? 0.61200 0.67260 0.62400 -0.09380 -0.02130 0.06730 3 ILE B O +2742 C CB . ILE B 3 ? 0.72140 0.80850 0.76060 -0.11790 -0.04090 0.08130 3 ILE B CB +2743 C CG1 . ILE B 3 ? 0.73500 0.83340 0.79270 -0.11180 -0.05470 0.08440 3 ILE B CG1 +2744 C CG2 . ILE B 3 ? 0.67090 0.75610 0.71320 -0.12470 -0.04910 0.08160 3 ILE B CG2 +2745 C CD1 . ILE B 3 ? 0.88890 0.99890 0.95740 -0.13120 -0.06480 0.09230 3 ILE B CD1 +2757 N N . ARG B 4 ? 0.65240 0.71330 0.64840 -0.11550 -0.00270 0.07220 4 ARG B N +2758 C CA . ARG B 4 ? 0.72050 0.77010 0.69980 -0.11970 0.00960 0.06950 4 ARG B CA +2759 C C . ARG B 4 ? 0.64790 0.68810 0.61870 -0.09830 0.01820 0.06270 4 ARG B C +2760 O O . ARG B 4 ? 0.59580 0.62870 0.56000 -0.09470 0.02120 0.05980 4 ARG B O +2761 C CB . ARG B 4 ? 0.71610 0.76190 0.67980 -0.13720 0.02460 0.07190 4 ARG B CB +2762 C CG . ARG B 4 ? 0.82920 0.88260 0.79780 -0.16030 0.01730 0.07830 4 ARG B CG +2763 C CD . ARG B 4 ? 0.90850 0.95290 0.85890 -0.17650 0.03040 0.07870 4 ARG B CD +2764 N NE . ARG B 4 ? 1.03580 1.08630 0.98530 -0.19850 0.02990 0.08420 4 ARG B NE +2765 C CZ . ARG B 4 ? 1.29910 1.34260 1.23150 -0.21370 0.04360 0.08480 4 ARG B CZ +2766 N NH1 . ARG B 4 ? 1.33740 1.36720 1.25190 -0.20930 0.05960 0.08050 4 ARG B NH1 +2767 N NH2 . ARG B 4 ? 1.48370 1.53400 1.41660 -0.23360 0.04140 0.08990 4 ARG B NH2 +2781 N N . GLU B 5 ? 0.59650 0.63700 0.56750 -0.08360 0.02250 0.06040 5 GLU B N +2782 C CA . GLU B 5 ? 0.65820 0.69030 0.62140 -0.06200 0.03030 0.05400 5 GLU B CA +2783 C C . GLU B 5 ? 0.58270 0.61640 0.55760 -0.04800 0.01590 0.05080 5 GLU B C +2784 O O . GLU B 5 ? 0.60590 0.63200 0.57320 -0.03840 0.02030 0.04650 5 GLU B O +2785 C CB . GLU B 5 ? 0.69360 0.72680 0.65620 -0.04920 0.03640 0.05280 5 GLU B CB +2786 C CG . GLU B 5 ? 0.84110 0.87030 0.78960 -0.05930 0.05380 0.05450 5 GLU B CG +2787 C CD . GLU B 5 ? 0.97110 0.98690 0.89900 -0.05630 0.07240 0.05070 5 GLU B CD +2788 O OE1 . GLU B 5 ? 0.88980 0.89940 0.81370 -0.03840 0.07450 0.04560 5 GLU B OE1 +2789 O OE2 . GLU B 5 ? 1.09090 1.10220 1.00640 -0.07210 0.08480 0.05270 5 GLU B OE2 +2796 N N . LEU B 6 ? 0.60190 0.64530 0.59520 -0.04640 -0.00130 0.05300 6 LEU B N +2797 C CA . LEU B 6 ? 0.58030 0.62550 0.58590 -0.03450 -0.01610 0.05010 6 LEU B CA +2798 C C . LEU B 6 ? 0.48390 0.52580 0.48750 -0.04380 -0.01830 0.05020 6 LEU B C +2799 O O . LEU B 6 ? 0.48610 0.52280 0.48760 -0.03150 -0.01890 0.04550 6 LEU B O +2800 C CB . LEU B 6 ? 0.62870 0.68480 0.65430 -0.03580 -0.03380 0.05360 6 LEU B CB +2801 C CG . LEU B 6 ? 0.61990 0.67820 0.65980 -0.02680 -0.05060 0.05130 6 LEU B CG +2802 C CD1 . LEU B 6 ? 0.61870 0.67070 0.65450 -0.00340 -0.04840 0.04400 6 LEU B CD1 +2803 C CD2 . LEU B 6 ? 0.72780 0.79640 0.78650 -0.02910 -0.06680 0.05540 6 LEU B CD2 +2815 N N . ARG B 7 ? 0.54170 0.58690 0.54630 -0.06530 -0.02010 0.05580 7 ARG B N +2816 C CA . ARG B 7 ? 0.48520 0.52770 0.48810 -0.07560 -0.02190 0.05680 7 ARG B CA +2817 C C . ARG B 7 ? 0.48590 0.51690 0.47030 -0.07120 -0.00570 0.05290 7 ARG B C +2818 O O . ARG B 7 ? 0.50550 0.53300 0.49020 -0.06500 -0.00830 0.05010 7 ARG B O +2819 C CB . ARG B 7 ? 0.52900 0.57620 0.53300 -0.10000 -0.02370 0.06370 7 ARG B CB +2820 C CG . ARG B 7 ? 0.47770 0.53660 0.50110 -0.10580 -0.04120 0.06830 7 ARG B CG +2821 C CD . ARG B 7 ? 0.52850 0.59220 0.55120 -0.13000 -0.04160 0.07520 7 ARG B CD +2822 N NE . ARG B 7 ? 0.57850 0.65330 0.62000 -0.13610 -0.05900 0.08010 7 ARG B NE +2823 C CZ . ARG B 7 ? 0.60160 0.68340 0.64600 -0.15500 -0.06220 0.08660 7 ARG B CZ +2824 N NH1 . ARG B 7 ? 0.51780 0.59670 0.54760 -0.17020 -0.04980 0.08870 7 ARG B NH1 +2825 N NH2 . ARG B 7 ? 0.61600 0.70800 0.67830 -0.15860 -0.07830 0.09100 7 ARG B NH2 +2839 N N . ALA B 8 ? 0.51090 0.53630 0.47920 -0.07440 0.01130 0.05270 8 ALA B N +2840 C CA . ALA B 8 ? 0.52200 0.53590 0.47150 -0.07080 0.02810 0.04940 8 ALA B CA +2841 C C . ALA B 8 ? 0.54850 0.55840 0.49740 -0.04690 0.02860 0.04310 8 ALA B C +2842 O O . ALA B 8 ? 0.50960 0.51270 0.45010 -0.04200 0.03470 0.04040 8 ALA B O +2843 C CB . ALA B 8 ? 0.56880 0.57720 0.50200 -0.07770 0.04600 0.05030 8 ALA B CB +2849 N N . ALA B 9 ? 0.52930 0.54340 0.48670 -0.03140 0.02240 0.04070 9 ALA B N +2850 C CA . ALA B 9 ? 0.52230 0.53310 0.47970 -0.00830 0.02140 0.03450 9 ALA B CA +2851 C C . ALA B 9 ? 0.50350 0.51730 0.47320 -0.00460 0.00630 0.03300 9 ALA B C +2852 O O . ALA B 9 ? 0.49710 0.50590 0.46140 0.00690 0.00950 0.02880 9 ALA B O +2853 C CB . ALA B 9 ? 0.53040 0.54520 0.49460 0.00670 0.01720 0.03260 9 ALA B CB +2859 N N . LEU B 10 ? 0.48410 0.50640 0.47080 -0.01410 -0.01020 0.03660 10 LEU B N +2860 C CA . LEU B 10 ? 0.47840 0.50350 0.47740 -0.01270 -0.02460 0.03570 10 LEU B CA +2861 C C . LEU B 10 ? 0.48120 0.50080 0.47080 -0.02190 -0.01710 0.03650 10 LEU B C +2862 O O . LEU B 10 ? 0.47990 0.49780 0.47190 -0.01320 -0.02100 0.03330 10 LEU B O +2863 C CB . LEU B 10 ? 0.47110 0.50570 0.48850 -0.02440 -0.04170 0.04050 10 LEU B CB +2864 C CG . LEU B 10 ? 0.48200 0.52290 0.51280 -0.01330 -0.05330 0.03950 10 LEU B CG +2865 C CD1 . LEU B 10 ? 0.46280 0.51280 0.51020 -0.02700 -0.06810 0.04540 10 LEU B CD1 +2866 C CD2 . LEU B 10 ? 0.46510 0.50480 0.50280 0.00770 -0.06210 0.03310 10 LEU B CD2 +2878 N N . ILE B 11 ? 0.48540 0.50240 0.46460 -0.04010 -0.00660 0.04100 11 ILE B N +2879 C CA . ILE B 11 ? 0.48910 0.50020 0.45820 -0.04980 0.00150 0.04230 11 ILE B CA +2880 C C . ILE B 11 ? 0.49630 0.49850 0.45040 -0.03490 0.01560 0.03720 11 ILE B C +2881 O O . ILE B 11 ? 0.52940 0.52900 0.48290 -0.03040 0.01510 0.03550 11 ILE B O +2882 C CB . ILE B 11 ? 0.53180 0.54120 0.49110 -0.07200 0.01080 0.04780 11 ILE B CB +2883 C CG1 . ILE B 11 ? 0.50860 0.52730 0.48350 -0.08770 -0.00450 0.05340 11 ILE B CG1 +2884 C CG2 . ILE B 11 ? 0.55970 0.56030 0.50350 -0.07960 0.02410 0.04840 11 ILE B CG2 +2885 C CD1 . ILE B 11 ? 0.49170 0.51080 0.45860 -0.10830 0.00280 0.05860 11 ILE B CD1 +2897 N N . LEU B 12 ? 0.50110 0.49880 0.44330 -0.02670 0.02850 0.03490 12 LEU B N +2898 C CA A LEU B 12 ? 0.61490 0.60400 0.54210 -0.01160 0.04290 0.03030 12 LEU B CA +2899 C CA B LEU B 12 ? 0.61550 0.60450 0.54260 -0.01160 0.04290 0.03030 12 LEU B CA +2900 C C . LEU B 12 ? 0.56510 0.55620 0.50100 0.00790 0.03290 0.02530 12 LEU B C +2901 O O . LEU B 12 ? 0.57250 0.55910 0.50180 0.01390 0.03820 0.02320 12 LEU B O +2902 C CB A LEU B 12 ? 0.61930 0.60450 0.53550 -0.00380 0.05570 0.02860 12 LEU B CB +2903 C CB B LEU B 12 ? 0.61880 0.60420 0.53540 -0.00400 0.05530 0.02870 12 LEU B CB +2904 C CG A LEU B 12 ? 0.68600 0.66710 0.58980 -0.02130 0.06940 0.03270 12 LEU B CG +2905 C CG B LEU B 12 ? 0.70920 0.68580 0.61010 0.01320 0.07080 0.02400 12 LEU B CG +2906 C CD1 A LEU B 12 ? 0.72980 0.70860 0.62640 -0.01190 0.07970 0.03090 12 LEU B CD1 +2907 C CD1 B LEU B 12 ? 0.77720 0.74500 0.66170 0.00320 0.08600 0.02560 12 LEU B CD1 +2908 C CD2 A LEU B 12 ? 0.67760 0.64910 0.56420 -0.02960 0.08490 0.03350 12 LEU B CD2 +2909 C CD2 B LEU B 12 ? 0.77610 0.75030 0.66950 0.02130 0.08090 0.02270 12 LEU B CD2 +2930 N N . LEU B 13 ? 0.51550 0.51350 0.46610 0.01820 0.01860 0.02320 13 LEU B N +2931 C CA . LEU B 13 ? 0.55320 0.55320 0.51230 0.03690 0.00820 0.01790 13 LEU B CA +2932 C C . LEU B 13 ? 0.53530 0.53830 0.50470 0.03030 -0.00300 0.01900 13 LEU B C +2933 O O . LEU B 13 ? 0.51560 0.51700 0.48450 0.04200 -0.00390 0.01520 13 LEU B O +2934 C CB . LEU B 13 ? 0.48970 0.49590 0.46260 0.04730 -0.00540 0.01590 13 LEU B CB +2935 C CG . LEU B 13 ? 0.50170 0.50470 0.46450 0.05840 0.00580 0.01400 13 LEU B CG +2936 C CD1 . LEU B 13 ? 0.62390 0.63390 0.60150 0.06330 -0.00810 0.01400 13 LEU B CD1 +2937 C CD2 . LEU B 13 ? 0.57500 0.57180 0.52610 0.07940 0.01520 0.00800 13 LEU B CD2 +2949 N N . ALA B 14 ? 0.48490 0.49270 0.46430 0.01170 -0.01170 0.02430 14 ALA B N +2950 C CA . ALA B 14 ? 0.49480 0.50560 0.48480 0.00490 -0.02240 0.02580 14 ALA B CA +2951 C C . ALA B 14 ? 0.53740 0.54140 0.51350 0.00190 -0.00890 0.02620 14 ALA B C +2952 O O . ALA B 14 ? 0.51210 0.51680 0.49300 0.00820 -0.01380 0.02420 14 ALA B O +2953 C CB . ALA B 14 ? 0.47550 0.49210 0.47700 -0.01550 -0.03240 0.03220 14 ALA B CB +2959 N N . LEU B 15 ? 0.52460 0.52210 0.48330 -0.00750 0.00840 0.02880 15 LEU B N +2960 C CA . LEU B 15 ? 0.55240 0.54250 0.49660 -0.01050 0.02250 0.02940 15 LEU B CA +2961 C C . LEU B 15 ? 0.62230 0.60820 0.55810 0.01080 0.03030 0.02370 15 LEU B C +2962 O O . LEU B 15 ? 0.63790 0.62150 0.57030 0.01420 0.03370 0.02300 15 LEU B O +2963 C CB . LEU B 15 ? 0.56570 0.54910 0.49270 -0.02570 0.03940 0.03330 15 LEU B CB +2964 C CG . LEU B 15 ? 0.54790 0.53500 0.48050 -0.04850 0.03370 0.03940 15 LEU B CG +2965 C CD1 . LEU B 15 ? 0.68380 0.66270 0.59680 -0.06290 0.05210 0.04250 15 LEU B CD1 +2966 C CD2 . LEU B 15 ? 0.61170 0.60360 0.55730 -0.05790 0.02090 0.04260 15 LEU B CD2 +2978 N N . LYS B 16 ? 0.62860 0.61360 0.56080 0.02550 0.03340 0.01970 16 LYS B N +2979 C CA . LYS B 16 ? 0.73160 0.71320 0.65630 0.04700 0.03970 0.01400 16 LYS B CA +2980 C C . LYS B 16 ? 0.71800 0.70580 0.65800 0.05810 0.02330 0.01060 16 LYS B C +2981 O O . LYS B 16 ? 0.72120 0.70700 0.65650 0.06790 0.02740 0.00820 16 LYS B O +2982 C CB . LYS B 16 ? 0.73800 0.71800 0.65720 0.06050 0.04480 0.01070 16 LYS B CB +2983 C CG . LYS B 16 ? 0.90640 0.87870 0.80760 0.05290 0.06420 0.01310 16 LYS B CG +2984 C CD . LYS B 16 ? 1.09120 1.05450 0.97410 0.05390 0.08240 0.01310 16 LYS B CD +2985 C CE . LYS B 16 ? 1.20710 1.16160 1.07100 0.05120 0.10280 0.01410 16 LYS B CE +2986 N NZ . LYS B 16 ? 1.27870 1.22450 1.12510 0.06330 0.12020 0.01180 16 LYS B NZ +3000 N N . LYS B 17 ? 0.61160 0.60710 0.57020 0.05670 0.00470 0.01050 17 LYS B N +3001 C CA . LYS B 17 ? 0.68380 0.68520 0.65850 0.06440 -0.01220 0.00760 17 LYS B CA +3002 C C . LYS B 17 ? 0.74520 0.74670 0.72130 0.05460 -0.01180 0.01050 17 LYS B C +3003 O O . LYS B 17 ? 0.74250 0.74500 0.72090 0.06560 -0.01450 0.00730 17 LYS B O +3004 C CB . LYS B 17 ? 0.68700 0.69580 0.68100 0.05930 -0.03110 0.00860 17 LYS B CB +3005 C CG . LYS B 17 ? 0.79870 0.81240 0.80730 0.07520 -0.04770 0.00310 17 LYS B CG +3006 C CD . LYS B 17 ? 0.81120 0.83050 0.83530 0.07280 -0.06290 0.00380 17 LYS B CD +3007 C CE . LYS B 17 ? 0.83250 0.85580 0.86720 0.05080 -0.07040 0.01060 17 LYS B CE +3008 N NZ . LYS B 17 ? 0.90150 0.93090 0.95400 0.04980 -0.08780 0.01110 17 LYS B NZ +3022 N N . GLN B 18 ? 0.65290 0.65340 0.62740 0.03380 -0.00830 0.01680 18 GLN B N +3023 C CA . GLN B 18 ? 0.70360 0.70430 0.68060 0.02350 -0.00890 0.02020 18 GLN B CA +3024 C C . GLN B 18 ? 0.78330 0.77740 0.74350 0.03070 0.00800 0.01900 18 GLN B C +3025 O O . GLN B 18 ? 0.81000 0.80580 0.77450 0.03470 0.00490 0.01840 18 GLN B O +3026 C CB . GLN B 18 ? 0.66550 0.66610 0.64270 -0.00010 -0.00770 0.02720 18 GLN B CB +3027 C CG . GLN B 18 ? 0.72260 0.72350 0.70310 -0.01130 -0.00880 0.03120 18 GLN B CG +3028 C CD . GLN B 18 ? 0.75990 0.76870 0.76160 -0.00660 -0.02800 0.02980 18 GLN B CD +3029 O OE1 . GLN B 18 ? 0.67380 0.68870 0.69130 -0.00830 -0.04360 0.02970 18 GLN B OE1 +3030 N NE2 . GLN B 18 ? 0.86100 0.86970 0.86310 -0.00030 -0.02670 0.02860 18 GLN B NE2 +3039 N N . HIS B 19 ? 0.81030 0.79670 0.75130 0.03230 0.02590 0.01890 19 HIS B N +3040 C CA . HIS B 19 ? 0.89220 0.87110 0.81540 0.03700 0.04400 0.01880 19 HIS B CA +3041 C C . HIS B 19 ? 0.88060 0.85860 0.79870 0.06070 0.04770 0.01260 19 HIS B C +3042 O O . HIS B 19 ? 0.97050 0.94310 0.87500 0.06700 0.06170 0.01230 19 HIS B O +3043 C CB . HIS B 19 ? 0.89490 0.86500 0.79910 0.02550 0.06270 0.02210 19 HIS B CB +3044 C CG . HIS B 19 ? 0.97500 0.94570 0.88240 0.00200 0.06000 0.02810 19 HIS B CG +3045 N ND1 . HIS B 19 ? 0.99470 0.97140 0.91700 -0.00890 0.04620 0.03130 19 HIS B ND1 +3046 C CD2 . HIS B 19 ? 1.03020 0.99640 0.92770 -0.01260 0.06900 0.03140 19 HIS B CD2 +3047 C CE1 . HIS B 19 ? 0.99950 0.97540 0.92070 -0.02890 0.04700 0.03650 19 HIS B CE1 +3048 N NE2 . HIS B 19 ? 1.00610 0.97580 0.91220 -0.03170 0.06050 0.03650 19 HIS B NE2 +3056 N N . ALA B 20 ? 0.69700 0.85110 0.95660 -0.00570 -0.10570 0.15840 20 ALA B N +3057 C CA . ALA B 20 ? 0.73010 0.86810 0.94100 0.00380 -0.13100 0.15070 20 ALA B CA +3058 C C . ALA B 20 ? 0.81400 0.96060 1.05720 -0.00180 -0.16780 0.14250 20 ALA B C +3059 O O . ALA B 20 ? 0.85870 1.00980 1.14040 -0.01250 -0.17680 0.13230 20 ALA B O +3060 C CB . ALA B 20 ? 0.72590 0.83330 0.87610 0.00920 -0.12800 0.13410 20 ALA B CB +3066 N N . GLU B 21 ? 0.94590 1.09440 1.17290 0.00540 -0.18910 0.14710 21 GLU B N +3067 C CA . GLU B 21 ? 1.11660 1.27020 1.36440 0.00190 -0.22640 0.13820 21 GLU B CA +3068 C C . GLU B 21 ? 1.14650 1.27300 1.33860 0.00710 -0.24860 0.12000 21 GLU B C +3069 O O . GLU B 21 ? 1.13330 1.25810 1.34210 0.00070 -0.27440 0.10570 21 GLU B O +3070 C CB . GLU B 21 ? 1.19010 1.36290 1.45700 0.00630 -0.23930 0.15360 21 GLU B CB +3071 C CG . GLU B 21 ? 1.14510 1.34670 1.47230 0.00010 -0.21990 0.17080 21 GLU B CG +3072 C CD . GLU B 21 ? 1.62080 1.84530 1.98780 -0.00010 -0.24130 0.18050 21 GLU B CD +3073 O OE1 . GLU B 21 ? 1.68630 1.90840 2.02360 0.01060 -0.24860 0.18920 21 GLU B OE1 +3074 O OE2 . GLU B 21 ? 1.79600 2.04090 2.22430 -0.01120 -0.25120 0.17900 21 GLU B OE2 +3081 N N . ASP B 22 ? 1.06860 1.17380 1.19520 0.01780 -0.23870 0.11990 22 ASP B N +3082 C CA . ASP B 22 ? 1.10960 1.18740 1.17820 0.02270 -0.25700 0.10260 22 ASP B CA +3083 C C . ASP B 22 ? 1.08420 1.14650 1.14730 0.01650 -0.24870 0.08480 22 ASP B C +3084 O O . ASP B 22 ? 0.94900 1.00640 1.00410 0.01680 -0.21780 0.08710 22 ASP B O +3085 C CB . ASP B 22 ? 1.11370 1.17400 1.11440 0.03540 -0.24540 0.10890 22 ASP B CB +3086 C CG . ASP B 22 ? 1.20130 1.23270 1.13800 0.04050 -0.26340 0.09170 22 ASP B CG +3087 O OD1 . ASP B 22 ? 1.34800 1.37370 1.29350 0.03460 -0.28740 0.07530 22 ASP B OD1 +3088 O OD2 . ASP B 22 ? 1.26450 1.27860 1.14130 0.05000 -0.25320 0.09440 22 ASP B OD2 +3093 N N . PRO B 23 ? 0.98470 1.03870 1.05190 0.01100 -0.27510 0.06680 23 PRO B N +3094 C CA . PRO B 23 ? 0.96600 1.00340 1.02570 0.00560 -0.26730 0.04920 23 PRO B CA +3095 C C . PRO B 23 ? 0.95670 0.96600 0.94630 0.01410 -0.25140 0.04090 23 PRO B C +3096 O O . PRO B 23 ? 0.77830 0.77500 0.76190 0.01080 -0.23690 0.02910 23 PRO B O +3097 C CB . PRO B 23 ? 1.01570 1.04990 1.08950 -0.00090 -0.30310 0.03250 23 PRO B CB +3098 C CG . PRO B 23 ? 1.05560 1.09450 1.11550 0.00500 -0.32960 0.03840 23 PRO B CG +3099 C CD . PRO B 23 ? 1.05730 1.11770 1.14020 0.00880 -0.31310 0.06180 23 PRO B CD +3107 N N . ASP B 24 ? 0.92840 0.92720 0.86490 0.02470 -0.25390 0.04630 24 ASP B N +3108 C CA . ASP B 24 ? 0.96940 0.94240 0.83870 0.03260 -0.23620 0.03960 24 ASP B CA +3109 C C . ASP B 24 ? 0.88230 0.86020 0.75240 0.03530 -0.19680 0.05260 24 ASP B C +3110 O O . ASP B 24 ? 0.84830 0.80800 0.68250 0.03790 -0.17640 0.04390 24 ASP B O +3111 C CB . ASP B 24 ? 1.11530 1.07520 0.92700 0.04230 -0.25250 0.04140 24 ASP B CB +3112 C CG . ASP B 24 ? 1.19450 1.13950 0.98420 0.04050 -0.28720 0.02320 24 ASP B CG +3113 O OD1 . ASP B 24 ? 1.17970 1.10310 0.93830 0.03920 -0.28630 0.00450 24 ASP B OD1 +3114 O OD2 . ASP B 24 ? 1.30070 1.25600 1.10600 0.04020 -0.31550 0.02740 24 ASP B OD2 +3119 N N . ALA B 25 ? 0.80910 0.81110 0.71890 0.03480 -0.18570 0.07280 25 ALA B N +3120 C CA . ALA B 25 ? 0.85910 0.86880 0.77970 0.03530 -0.14850 0.08530 25 ALA B CA +3121 C C . ALA B 25 ? 0.74340 0.75750 0.70650 0.02530 -0.13550 0.07770 25 ALA B C +3122 O O . ALA B 25 ? 0.76110 0.76810 0.71180 0.02610 -0.10660 0.07720 25 ALA B O +3123 C CB . ALA B 25 ? 0.88690 0.92230 0.84320 0.03620 -0.14180 0.10840 25 ALA B CB +3129 N N . GLN B 26 ? 0.74210 0.76780 0.75560 0.01560 -0.15660 0.07160 26 GLN B N +3130 C CA . GLN B 26 ? 0.77470 0.80270 0.82740 0.00560 -0.14690 0.06320 26 GLN B CA +3131 C C . GLN B 26 ? 0.74150 0.74160 0.75170 0.00710 -0.14570 0.04220 26 GLN B C +3132 O O . GLN B 26 ? 0.68040 0.67550 0.69750 0.00410 -0.12320 0.03830 26 GLN B O +3133 C CB . GLN B 26 ? 0.75350 0.79960 0.86750 -0.00540 -0.17170 0.06100 26 GLN B CB +3134 C CG . GLN B 26 ? 0.82070 0.89520 0.97940 -0.00730 -0.17270 0.08110 26 GLN B CG +3135 C CD . GLN B 26 ? 0.95720 1.05010 1.17610 -0.01820 -0.19770 0.07850 26 GLN B CD +3136 O OE1 . GLN B 26 ? 1.00350 1.08830 1.21650 -0.02000 -0.22700 0.06410 26 GLN B OE1 +3137 N NE2 . GLN B 26 ? 1.01850 1.13680 1.29570 -0.02590 -0.18610 0.09240 26 GLN B NE2 +3146 N N . ARG B 27 ? 0.71510 0.69660 0.68080 0.01170 -0.16960 0.02840 27 ARG B N +3147 C CA . ARG B 27 ? 0.75380 0.70810 0.67620 0.01340 -0.16800 0.00780 27 ARG B CA +3148 C C . ARG B 27 ? 0.75450 0.69560 0.63160 0.02150 -0.13530 0.01090 27 ARG B C +3149 O O . ARG B 27 ? 0.75150 0.68060 0.62200 0.02000 -0.11790 0.00050 27 ARG B O +3150 C CB . ARG B 27 ? 0.81510 0.75200 0.69490 0.01690 -0.19950 -0.00660 27 ARG B CB +3151 C CG . ARG B 27 ? 0.90360 0.81150 0.73660 0.01850 -0.19870 -0.02900 27 ARG B CG +3152 C CD . ARG B 27 ? 0.96820 0.85850 0.75340 0.02230 -0.22890 -0.04200 27 ARG B CD +3153 N NE . ARG B 27 ? 1.17910 1.07140 0.92990 0.03100 -0.23170 -0.02810 27 ARG B NE +3154 C CZ . ARG B 27 ? 1.22770 1.10680 0.92460 0.04000 -0.21150 -0.02390 27 ARG B CZ +3155 N NH1 . ARG B 27 ? 1.28190 1.14450 0.95040 0.04190 -0.18710 -0.03350 27 ARG B NH1 +3156 N NH2 . ARG B 27 ? 1.22170 1.10430 0.89290 0.04720 -0.21590 -0.01000 27 ARG B NH2 +3170 N N . VAL B 28 ? 0.75930 0.70230 0.60440 0.03030 -0.12680 0.02510 28 VAL B N +3171 C CA . VAL B 28 ? 0.76170 0.69230 0.56130 0.03810 -0.09590 0.02820 28 VAL B CA +3172 C C . VAL B 28 ? 0.70690 0.64980 0.54510 0.03360 -0.06470 0.03660 28 VAL B C +3173 O O . VAL B 28 ? 0.70870 0.63770 0.52410 0.03550 -0.04230 0.02880 28 VAL B O +3174 C CB . VAL B 28 ? 0.79060 0.72330 0.55440 0.04740 -0.09290 0.04400 28 VAL B CB +3175 C CG1 . VAL B 28 ? 0.82260 0.74630 0.54720 0.05430 -0.05780 0.04960 28 VAL B CG1 +3176 C CG2 . VAL B 28 ? 0.92150 0.83720 0.63670 0.05230 -0.12190 0.03390 28 VAL B CG2 +3186 N N . ALA B 29 ? 0.65790 0.62690 0.55590 0.02730 -0.06310 0.05210 29 ALA B N +3187 C CA . ALA B 29 ? 0.62580 0.60790 0.56450 0.02170 -0.03470 0.06090 29 ALA B CA +3188 C C . ALA B 29 ? 0.61600 0.58810 0.57240 0.01450 -0.03370 0.04370 29 ALA B C +3189 O O . ALA B 29 ? 0.61910 0.58440 0.56870 0.01500 -0.00750 0.04180 29 ALA B O +3190 C CB . ALA B 29 ? 0.64530 0.65720 0.64690 0.01490 -0.03710 0.07900 29 ALA B CB +3196 N N . ASP B 30 ? 0.61880 0.58990 0.59890 0.00770 -0.06230 0.03110 30 ASP B N +3197 C CA . ASP B 30 ? 0.67120 0.63220 0.66930 0.00060 -0.06300 0.01450 30 ASP B CA +3198 C C . ASP B 30 ? 0.67900 0.61200 0.61910 0.00770 -0.05190 -0.00180 30 ASP B C +3199 O O . ASP B 30 ? 0.64540 0.57100 0.59340 0.00490 -0.03480 -0.00930 30 ASP B O +3200 C CB . ASP B 30 ? 0.77770 0.74020 0.80360 -0.00710 -0.09770 0.00260 30 ASP B CB +3201 C CG . ASP B 30 ? 1.02330 0.98840 1.09800 -0.01850 -0.09710 -0.00570 30 ASP B CG +3202 O OD1 . ASP B 30 ? 0.98240 0.95570 1.08390 -0.02200 -0.07120 0.00290 30 ASP B OD1 +3203 O OD2 . ASP B 30 ? 1.10760 1.06630 1.19370 -0.02420 -0.12270 -0.02080 30 ASP B OD2 +3208 N N . GLU B 31 ? 0.70580 0.62310 0.58700 0.01670 -0.06100 -0.00750 31 GLU B N +3209 C CA . GLU B 31 ? 0.77060 0.66080 0.59440 0.02310 -0.05150 -0.02420 31 GLU B CA +3210 C C . GLU B 31 ? 0.72230 0.61100 0.53010 0.02810 -0.01400 -0.01620 31 GLU B C +3211 O O . GLU B 31 ? 0.73000 0.60340 0.52280 0.02870 0.00080 -0.02920 31 GLU B O +3212 C CB . GLU B 31 ? 0.80270 0.67730 0.56630 0.03110 -0.06960 -0.03040 31 GLU B CB +3213 C CG . GLU B 31 ? 0.89050 0.75910 0.65840 0.02660 -0.10620 -0.04480 31 GLU B CG +3214 C CD . GLU B 31 ? 1.08190 0.93610 0.79160 0.03380 -0.12520 -0.04950 31 GLU B CD +3215 O OE1 . GLU B 31 ? 1.05980 0.90920 0.72660 0.04230 -0.11000 -0.04050 31 GLU B OE1 +3216 O OE2 . GLU B 31 ? 1.07440 0.92190 0.78140 0.03060 -0.15560 -0.06200 31 GLU B OE2 +3223 N N . LEU B 32 ? 0.69350 0.59790 0.50430 0.03170 0.00170 0.00490 32 LEU B N +3224 C CA . LEU B 32 ? 0.70810 0.61270 0.50570 0.03600 0.03790 0.01360 32 LEU B CA +3225 C C . LEU B 32 ? 0.67620 0.59150 0.52690 0.02780 0.05500 0.01580 32 LEU B C +3226 O O . LEU B 32 ? 0.68180 0.58810 0.51870 0.03000 0.08000 0.01160 32 LEU B O +3227 C CB . LEU B 32 ? 0.71070 0.63030 0.50140 0.04120 0.04940 0.03610 32 LEU B CB +3228 C CG . LEU B 32 ? 0.82860 0.73330 0.55330 0.05130 0.04240 0.03480 32 LEU B CG +3229 C CD1 . LEU B 32 ? 0.85790 0.78030 0.58810 0.05470 0.04440 0.05750 32 LEU B CD1 +3230 C CD2 . LEU B 32 ? 0.93680 0.82050 0.60490 0.05860 0.06690 0.02600 32 LEU B CD2 +3242 N N . MET B 33 ? 0.58770 0.52200 0.49930 0.01800 0.04170 0.02210 33 MET B N +3243 C CA . MET B 33 ? 0.58470 0.52810 0.54760 0.00910 0.05570 0.02360 33 MET B CA +3244 C C . MET B 33 ? 0.61550 0.53780 0.56890 0.00720 0.05300 0.00120 33 MET B C +3245 O O . MET B 33 ? 0.60370 0.52280 0.56650 0.00580 0.07570 -0.00040 33 MET B O +3246 C CB . MET B 33 ? 0.53190 0.49850 0.55970 -0.00170 0.03890 0.03310 33 MET B CB +3247 C CG . MET B 33 ? 0.56660 0.55650 0.61280 -0.00100 0.04610 0.05650 33 MET B CG +3248 S SD . MET B 33 ? 0.53330 0.55120 0.65690 -0.01420 0.02760 0.06690 33 MET B SD +3249 C CE . MET B 33 ? 0.51140 0.53880 0.68390 -0.02430 0.05460 0.07250 33 MET B CE +3259 N N . LYS B 34 ? 0.61430 0.52190 0.54890 0.00720 0.02520 -0.01650 34 LYS B N +3260 C CA . LYS B 34 ? 0.69640 0.58290 0.62050 0.00570 0.02170 -0.03880 34 LYS B CA +3261 C C . LYS B 34 ? 0.68660 0.55430 0.55960 0.01470 0.04690 -0.04640 34 LYS B C +3262 O O . LYS B 34 ? 0.67740 0.53550 0.55760 0.01290 0.06030 -0.05660 34 LYS B O +3263 C CB . LYS B 34 ? 0.79820 0.67170 0.70470 0.00490 -0.01250 -0.05610 34 LYS B CB +3264 C CG . LYS B 34 ? 0.96920 0.85800 0.93200 -0.00590 -0.03800 -0.05450 34 LYS B CG +3265 C CD . LYS B 34 ? 1.27820 1.15950 1.21880 -0.00500 -0.07210 -0.06500 34 LYS B CD +3266 C CE . LYS B 34 ? 1.31810 1.21470 1.31480 -0.01600 -0.09800 -0.06450 34 LYS B CE +3267 N NZ . LYS B 34 ? 1.25890 1.15820 1.24170 -0.01430 -0.12810 -0.06490 34 LYS B NZ +3281 N N . LYS B 35 ? 0.73300 0.59470 0.55370 0.02430 0.05340 -0.04200 35 LYS B N +3282 C CA . LYS B 35 ? 0.78370 0.62810 0.55500 0.03260 0.07810 -0.04920 35 LYS B CA +3283 C C . LYS B 35 ? 0.77380 0.62970 0.57070 0.03170 0.11120 -0.03630 35 LYS B C +3284 O O . LYS B 35 ? 0.80550 0.64870 0.58880 0.03390 0.13020 -0.04640 35 LYS B O +3285 C CB . LYS B 35 ? 0.84640 0.68370 0.55830 0.04220 0.07890 -0.04490 35 LYS B CB +3286 C CG . LYS B 35 ? 0.92580 0.74660 0.60040 0.04420 0.04860 -0.06050 35 LYS B CG +3287 C CD . LYS B 35 ? 0.99940 0.82300 0.63700 0.05080 0.04220 -0.04830 35 LYS B CD +3288 C CE . LYS B 35 ? 1.22740 1.02530 0.79230 0.05830 0.03790 -0.06360 35 LYS B CE +3289 N NZ . LYS B 35 ? 1.36870 1.16920 0.89980 0.06400 0.02820 -0.05130 35 LYS B NZ +3303 N N . LEU B 36 ? 0.70480 0.58480 0.53880 0.02830 0.11860 -0.01410 36 LEU B N +3304 C CA . LEU B 36 ? 0.71340 0.60610 0.57620 0.02610 0.14900 -0.00070 36 LEU B CA +3305 C C . LEU B 36 ? 0.70230 0.59350 0.60850 0.01770 0.15010 -0.00990 36 LEU B C +3306 O O . LEU B 36 ? 0.73000 0.61490 0.63320 0.01910 0.17360 -0.01330 36 LEU B O +3307 C CB . LEU B 36 ? 0.60500 0.52450 0.50440 0.02250 0.15310 0.02400 36 LEU B CB +3308 C CG . LEU B 36 ? 0.69950 0.62260 0.55920 0.03140 0.16360 0.03780 36 LEU B CG +3309 C CD1 . LEU B 36 ? 0.69010 0.64030 0.59290 0.02660 0.16360 0.06070 36 LEU B CD1 +3310 C CD2 . LEU B 36 ? 0.80400 0.71910 0.63020 0.03810 0.19690 0.03930 36 LEU B CD2 +3322 N N . PHE B 37 ? 0.60770 0.50500 0.55540 0.00870 0.12470 -0.01390 37 PHE B N +3323 C CA . PHE B 37 ? 0.62130 0.51620 0.61060 0.00010 0.12370 -0.02300 37 PHE B CA +3324 C C . PHE B 37 ? 0.70260 0.57120 0.65630 0.00500 0.12830 -0.04550 37 PHE B C +3325 O O . PHE B 37 ? 0.75840 0.62320 0.72830 0.00310 0.14640 -0.04870 37 PHE B O +3326 C CB . PHE B 37 ? 0.60680 0.50860 0.63700 -0.00960 0.09240 -0.02690 37 PHE B CB +3327 C CG . PHE B 37 ? 0.54240 0.47170 0.62020 -0.01680 0.08900 -0.00590 37 PHE B CG +3328 C CD1 . PHE B 37 ? 0.52650 0.47330 0.63600 -0.02050 0.11410 0.01260 37 PHE B CD1 +3329 C CD2 . PHE B 37 ? 0.54710 0.48470 0.63860 -0.02040 0.06040 -0.00500 37 PHE B CD2 +3330 C CE1 . PHE B 37 ? 0.41530 0.38690 0.56850 -0.02760 0.11120 0.03100 37 PHE B CE1 +3331 C CE2 . PHE B 37 ? 0.52620 0.48980 0.66280 -0.02710 0.05740 0.01390 37 PHE B CE2 +3332 C CZ . PHE B 37 ? 0.47450 0.45470 0.64180 -0.03080 0.08320 0.03150 37 PHE B CZ +3342 N N . ASP B 38 ? 0.75190 0.60200 0.65740 0.01120 0.11190 -0.06140 38 ASP B N +3343 C CA . ASP B 38 ? 0.86780 0.69230 0.73910 0.01550 0.11450 -0.08450 38 ASP B CA +3344 C C . ASP B 38 ? 0.88460 0.70250 0.72390 0.02360 0.14790 -0.08280 38 ASP B C +3345 O O . ASP B 38 ? 0.95110 0.75700 0.79170 0.02390 0.16070 -0.09490 38 ASP B O +3346 C CB . ASP B 38 ? 0.92720 0.73400 0.75060 0.02010 0.09050 -0.10080 38 ASP B CB +3347 C CG . ASP B 38 ? 1.05730 0.86420 0.91000 0.01190 0.05730 -0.11000 38 ASP B CG +3348 O OD1 . ASP B 38 ? 1.10630 0.92930 1.01710 0.00260 0.05220 -0.10140 38 ASP B OD1 +3349 O OD2 . ASP B 38 ? 1.18470 0.97540 1.00200 0.01440 0.03630 -0.12600 38 ASP B OD2 +3354 N N . ALA B 39 ? 0.86800 0.69330 0.67830 0.03010 0.16200 -0.06830 39 ALA B N +3355 C CA . ALA B 39 ? 0.93480 0.75490 0.71420 0.03760 0.19420 -0.06600 39 ALA B CA +3356 C C . ALA B 39 ? 0.89030 0.72460 0.71710 0.03260 0.21750 -0.05390 39 ALA B C +3357 O O . ALA B 39 ? 0.98670 0.81160 0.80360 0.03570 0.23890 -0.06120 39 ALA B O +3358 C CB . ALA B 39 ? 0.94800 0.77350 0.68720 0.04510 0.20290 -0.05190 39 ALA B CB +3364 N N . ALA B 40 ? 0.85290 0.70980 0.73180 0.02440 0.21330 -0.03600 40 ALA B N +3365 C CA . ALA B 40 ? 0.88280 0.75400 0.80690 0.01870 0.23520 -0.02310 40 ALA B CA +3366 C C . ALA B 40 ? 0.87210 0.73440 0.82930 0.01220 0.23030 -0.03730 40 ALA B C +3367 O O . ALA B 40 ? 0.87890 0.74350 0.85640 0.01050 0.25210 -0.03380 40 ALA B O +3368 C CB . ALA B 40 ? 0.82640 0.72410 0.79590 0.01130 0.23200 -0.00030 40 ALA B CB +3374 N N . HIS B 41 ? 0.83460 0.68640 0.79760 0.00850 0.20200 -0.05320 41 HIS B N +3375 C CA . HIS B 41 ? 0.92600 0.76660 0.91650 0.00270 0.19600 -0.06840 41 HIS B CA +3376 C C . HIS B 41 ? 0.96840 0.78730 0.92220 0.01070 0.21260 -0.08570 41 HIS B C +3377 O O . HIS B 41 ? 1.00570 0.81800 0.98500 0.00700 0.21830 -0.09380 41 HIS B O +3378 C CB . HIS B 41 ? 0.97120 0.80440 0.97070 -0.00250 0.16140 -0.08230 41 HIS B CB +3379 C CG . HIS B 41 ? 1.26280 1.09280 1.30940 -0.01220 0.15160 -0.09090 41 HIS B CG +3380 N ND1 . HIS B 41 ? 1.34640 1.17290 1.41270 -0.01920 0.12130 -0.10120 41 HIS B ND1 +3381 C CD2 . HIS B 41 ? 1.35600 1.18550 1.43390 -0.01630 0.16770 -0.09050 41 HIS B CD2 +3382 C CE1 . HIS B 41 ? 1.37250 1.19610 1.47980 -0.02730 0.11940 -0.10680 41 HIS B CE1 +3383 N NE2 . HIS B 41 ? 1.42790 1.25300 1.54300 -0.02570 0.14700 -0.10040 41 HIS B NE2 +3391 N N . ARG B 42 ? 0.87310 0.75420 0.81470 0.14350 0.04690 -0.04270 42 ARG B N +3392 C CA . ARG B 42 ? 0.92110 0.82700 0.86910 0.16320 0.07200 -0.03890 42 ARG B CA +3393 C C . ARG B 42 ? 0.87820 0.83270 0.88460 0.15130 0.09140 -0.02610 42 ARG B C +3394 O O . ARG B 42 ? 0.90660 0.88620 0.92340 0.16580 0.11410 -0.02170 42 ARG B O +3395 C CB . ARG B 42 ? 0.94750 0.83350 0.84530 0.18010 0.09000 -0.03460 42 ARG B CB +3396 C CG . ARG B 42 ? 1.12460 0.96350 0.96200 0.19560 0.07400 -0.04710 42 ARG B CG +3397 C CD . ARG B 42 ? 1.20950 1.03140 0.99920 0.21240 0.09350 -0.04230 42 ARG B CD +3398 N NE . ARG B 42 ? 1.38200 1.17160 1.13740 0.20190 0.08570 -0.03880 42 ARG B NE +3399 C CZ . ARG B 42 ? 1.52890 1.27460 1.23300 0.20980 0.06860 -0.04860 42 ARG B CZ +3400 N NH1 . ARG B 42 ? 1.56070 1.28810 1.24010 0.22810 0.05680 -0.06250 42 ARG B NH1 +3401 N NH2 . ARG B 42 ? 1.39440 1.11370 1.07120 0.19920 0.06300 -0.04420 42 ARG B NH2 +3415 N N . ASN B 43 ? 0.86300 0.83140 0.90750 0.12540 0.08310 -0.02020 43 ASN B N +3416 C CA . ASN B 43 ? 0.87150 0.88410 0.96960 0.11180 0.10160 -0.00660 43 ASN B CA +3417 C C . ASN B 43 ? 0.80110 0.82350 0.88550 0.11990 0.13130 0.00640 43 ASN B C +3418 O O . ASN B 43 ? 0.85410 0.91310 0.96930 0.12410 0.15370 0.01450 43 ASN B O +3419 C CB . ASN B 43 ? 0.80350 0.85050 0.94600 0.11650 0.10400 -0.01010 43 ASN B CB +3420 C CG . ASN B 43 ? 0.80610 0.89450 1.01090 0.09490 0.11140 0.00090 43 ASN B CG +3421 O OD1 . ASN B 43 ? 0.86660 0.95320 1.08650 0.07210 0.10240 0.00600 43 ASN B OD1 +3422 N ND2 . ASN B 43 ? 0.73380 0.85970 0.97530 0.10200 0.12760 0.00430 43 ASN B ND2 +3429 N N . ASP B 44 ? 0.80090 0.79010 0.83760 0.12210 0.13120 0.00830 44 ASP B N +3430 C CA . ASP B 44 ? 0.84150 0.83560 0.86070 0.12710 0.15740 0.02130 44 ASP B CA +3431 C C . ASP B 44 ? 0.84100 0.84880 0.88980 0.10110 0.16060 0.03490 44 ASP B C +3432 O O . ASP B 44 ? 0.81570 0.79640 0.83860 0.09120 0.15270 0.03780 44 ASP B O +3433 C CB . ASP B 44 ? 0.85050 0.80140 0.80270 0.14310 0.15550 0.01640 44 ASP B CB +3434 C CG . ASP B 44 ? 0.92930 0.88410 0.86040 0.14900 0.18260 0.02950 44 ASP B CG +3435 O OD1 . ASP B 44 ? 0.90530 0.89560 0.87380 0.13930 0.20230 0.04280 44 ASP B OD1 +3436 O OD2 . ASP B 44 ? 0.93560 0.85770 0.81200 0.16320 0.18420 0.02650 44 ASP B OD2 +3441 N N . LYS B 45 ? 0.80240 0.85310 0.90720 0.09000 0.17220 0.04340 45 LYS B N +3442 C CA . LYS B 45 ? 0.86410 0.93040 1.00350 0.06400 0.17300 0.05540 45 LYS B CA +3443 C C . LYS B 45 ? 0.86220 0.91800 0.97440 0.06170 0.18950 0.06830 45 LYS B C +3444 O O . LYS B 45 ? 0.75770 0.80570 0.87620 0.04180 0.18230 0.07500 45 LYS B O +3445 C CB . LYS B 45 ? 0.91580 1.03150 1.11830 0.05500 0.18550 0.06270 45 LYS B CB +3446 C CG . LYS B 45 ? 0.84290 0.97100 1.07350 0.05810 0.17060 0.05060 45 LYS B CG +3447 C CD . LYS B 45 ? 0.96260 1.12280 1.25490 0.03420 0.16470 0.05560 45 LYS B CD +3448 C CE . LYS B 45 ? 1.07540 1.25910 1.40300 0.03920 0.15830 0.04720 45 LYS B CE +3449 N NZ . LYS B 45 ? 1.08280 1.30410 1.47360 0.01730 0.15840 0.05450 45 LYS B NZ +3463 N N . ASP B 46 ? 0.88990 0.94440 0.97090 0.08170 0.21090 0.07160 46 ASP B N +3464 C CA . ASP B 46 ? 0.92260 0.96800 0.97670 0.08000 0.22780 0.08430 46 ASP B CA +3465 C C . ASP B 46 ? 0.85810 0.85590 0.86410 0.07660 0.20950 0.08020 46 ASP B C +3466 O O . ASP B 46 ? 0.83080 0.82100 0.83560 0.06020 0.20940 0.09020 46 ASP B O +3467 C CB . ASP B 46 ? 1.08650 1.13980 1.11500 0.10350 0.25380 0.08690 46 ASP B CB +3468 C CG . ASP B 46 ? 1.32600 1.42890 1.40250 0.10500 0.27620 0.09420 46 ASP B CG +3469 O OD1 . ASP B 46 ? 1.13710 1.26860 1.26640 0.08610 0.27380 0.09980 46 ASP B OD1 +3470 O OD2 . ASP B 46 ? 1.51080 1.62440 1.57230 0.12510 0.29640 0.09400 46 ASP B OD2 +3475 N N . LYS B 47 ? 0.85020 0.81500 0.81510 0.09240 0.19410 0.06560 47 LYS B N +3476 C CA . LYS B 47 ? 0.90270 0.82180 0.82120 0.08980 0.17610 0.06100 47 LYS B CA +3477 C C . LYS B 47 ? 0.77780 0.69130 0.72270 0.06510 0.15230 0.05920 47 LYS B C +3478 O O . LYS B 47 ? 0.80120 0.69260 0.72880 0.05290 0.14510 0.06380 47 LYS B O +3479 C CB . LYS B 47 ? 0.91500 0.80090 0.78620 0.11160 0.16340 0.04510 47 LYS B CB +3480 C CG . LYS B 47 ? 1.02040 0.85960 0.83230 0.11540 0.15470 0.04310 47 LYS B CG +3481 C CD . LYS B 47 ? 1.34750 1.15440 1.11170 0.13800 0.14360 0.02780 47 LYS B CD +3482 C CE . LYS B 47 ? 1.39270 1.16260 1.09520 0.14900 0.14860 0.02980 47 LYS B CE +3483 N NZ . LYS B 47 ? 1.50790 1.23870 1.16200 0.16610 0.13070 0.01400 47 LYS B NZ +3497 N N . VAL B 48 ? 0.76140 0.69540 0.74900 0.05730 0.13980 0.05240 48 VAL B N +3498 C CA . VAL B 48 ? 0.72290 0.65540 0.73950 0.03300 0.11790 0.05040 48 VAL B CA +3499 C C . VAL B 48 ? 0.68080 0.62960 0.72310 0.01260 0.12880 0.06640 48 VAL B C +3500 O O . VAL B 48 ? 0.64620 0.57420 0.68050 -0.00270 0.11470 0.06740 48 VAL B O +3501 C CB . VAL B 48 ? 0.71990 0.67870 0.78340 0.02740 0.10710 0.04270 48 VAL B CB +3502 C CG1 . VAL B 48 ? 0.69900 0.66840 0.80420 -0.00040 0.09170 0.04480 48 VAL B CG1 +3503 C CG2 . VAL B 48 ? 0.77580 0.70920 0.81040 0.04270 0.08790 0.02510 48 VAL B CG2 +3513 N N . LYS B 49 ? 0.69590 0.68200 0.76960 0.01230 0.15380 0.07910 49 LYS B N +3514 C CA . LYS B 49 ? 0.68410 0.68710 0.78350 -0.00690 0.16490 0.09500 49 LYS B CA +3515 C C . LYS B 49 ? 0.69690 0.66720 0.74880 -0.00600 0.16820 0.10150 49 LYS B C +3516 O O . LYS B 49 ? 0.68350 0.64730 0.74380 -0.02510 0.16160 0.10840 49 LYS B O +3517 C CB . LYS B 49 ? 0.71360 0.76150 0.85000 -0.00470 0.19280 0.10720 49 LYS B CB +3518 C CG . LYS B 49 ? 0.76070 0.84560 0.95590 -0.01320 0.18890 0.10430 49 LYS B CG +3519 C CD . LYS B 49 ? 0.91720 1.04370 1.14160 -0.00440 0.21620 0.11290 49 LYS B CD +3520 C CE . LYS B 49 ? 1.02690 1.18530 1.30190 -0.00750 0.21030 0.10670 49 LYS B CE +3521 N NZ . LYS B 49 ? 0.98520 1.17010 1.31560 -0.03360 0.20540 0.11420 49 LYS B NZ +3535 N N . LYS B 50 ? 0.76560 0.71480 0.76730 0.01590 0.17790 0.09910 50 LYS B N +3536 C CA . LYS B 50 ? 0.80920 0.72550 0.76250 0.01790 0.18080 0.10480 50 LYS B CA +3537 C C . LYS B 50 ? 0.79360 0.66960 0.72140 0.00950 0.15200 0.09510 50 LYS B C +3538 O O . LYS B 50 ? 0.80820 0.66680 0.72410 -0.00330 0.14800 0.10220 50 LYS B O +3539 C CB . LYS B 50 ? 0.94100 0.84350 0.84570 0.04410 0.19640 0.10270 50 LYS B CB +3540 C CG . LYS B 50 ? 1.22350 1.16080 1.14280 0.05190 0.22840 0.11510 50 LYS B CG +3541 C CD . LYS B 50 ? 1.22360 1.14630 1.09410 0.07890 0.24180 0.11040 50 LYS B CD +3542 C CE . LYS B 50 ? 1.17730 1.12640 1.04990 0.08470 0.27420 0.12480 50 LYS B CE +3543 N NZ . LYS B 50 ? 1.13380 1.11420 1.02470 0.10170 0.29040 0.12070 50 LYS B NZ +3557 N N . VAL B 51 ? 0.71440 0.57500 0.63310 0.01660 0.13170 0.07870 51 VAL B N +3558 C CA . VAL B 51 ? 0.78290 0.60460 0.67500 0.00990 0.10420 0.06820 51 VAL B CA +3559 C C . VAL B 51 ? 0.73340 0.56540 0.66780 -0.01750 0.08950 0.07090 51 VAL B C +3560 O O . VAL B 51 ? 0.71850 0.52320 0.63480 -0.02850 0.07490 0.07030 51 VAL B O +3561 C CB . VAL B 51 ? 0.78360 0.58860 0.65780 0.02380 0.08640 0.05010 51 VAL B CB +3562 C CG1 . VAL B 51 ? 0.82550 0.59450 0.67920 0.01390 0.05670 0.03900 51 VAL B CG1 +3563 C CG2 . VAL B 51 ? 0.84320 0.63280 0.67020 0.05110 0.09910 0.04670 51 VAL B CG2 +3573 N N . VAL B 52 ? 0.67170 0.54290 0.66300 -0.02880 0.09270 0.07350 52 VAL B N +3574 C CA . VAL B 52 ? 0.60920 0.49310 0.64340 -0.05500 0.08030 0.07660 52 VAL B CA +3575 C C . VAL B 52 ? 0.74640 0.62600 0.77660 -0.06700 0.09000 0.09140 52 VAL B C +3576 O O . VAL B 52 ? 0.76160 0.62490 0.79360 -0.08370 0.07350 0.09060 52 VAL B O +3577 C CB . VAL B 52 ? 0.62580 0.55580 0.72210 -0.06410 0.08660 0.07930 52 VAL B CB +3578 C CG1 . VAL B 52 ? 0.63190 0.57990 0.77330 -0.09100 0.08170 0.08740 52 VAL B CG1 +3579 C CG2 . VAL B 52 ? 0.62010 0.55030 0.72470 -0.05860 0.06910 0.06320 52 VAL B CG2 +3589 N N . GLU B 53 ? 0.79250 0.68750 0.81810 -0.05890 0.11680 0.10500 53 GLU B N +3590 C CA . GLU B 53 ? 0.84520 0.73790 0.86810 -0.07060 0.12720 0.12020 53 GLU B CA +3591 C C . GLU B 53 ? 0.88150 0.72680 0.84810 -0.06660 0.11570 0.11710 53 GLU B C +3592 O O . GLU B 53 ? 0.87340 0.70610 0.84130 -0.08280 0.10760 0.12280 53 GLU B O +3593 C CB . GLU B 53 ? 0.89960 0.81910 0.92740 -0.06180 0.15880 0.13490 53 GLU B CB +3594 C CG . GLU B 53 ? 0.96680 0.93520 1.05450 -0.06860 0.17090 0.13990 53 GLU B CG +3595 C CD . GLU B 53 ? 1.34100 1.33640 1.43160 -0.05740 0.20230 0.15250 53 GLU B CD +3596 O OE1 . GLU B 53 ? 1.26460 1.25230 1.33280 -0.05810 0.21670 0.16500 53 GLU B OE1 +3597 O OE2 . GLU B 53 ? 1.28170 1.30610 1.39680 -0.04810 0.21240 0.14960 53 GLU B OE2 +3604 N N . GLU B 54 ? 0.84290 0.66090 0.75980 -0.04510 0.11380 0.10770 54 GLU B N +3605 C CA . GLU B 54 ? 0.90540 0.67700 0.76850 -0.04130 0.10080 0.10350 54 GLU B CA +3606 C C . GLU B 54 ? 0.95820 0.71010 0.82880 -0.05650 0.07040 0.09200 54 GLU B C +3607 O O . GLU B 54 ? 1.03970 0.76570 0.89180 -0.06640 0.05960 0.09400 54 GLU B O +3608 C CB . GLU B 54 ? 0.99380 0.74100 0.80410 -0.01510 0.10400 0.09460 54 GLU B CB +3609 C CG . GLU B 54 ? 1.18960 0.88710 0.94540 -0.01070 0.08540 0.08650 54 GLU B CG +3610 C CD . GLU B 54 ? 1.43200 1.10480 1.12950 0.01350 0.09690 0.08530 54 GLU B CD +3611 O OE1 . GLU B 54 ? 1.42700 1.11520 1.12270 0.03090 0.11020 0.08220 54 GLU B OE1 +3612 O OE2 . GLU B 54 ? 1.47810 1.11620 1.13200 0.01510 0.09260 0.08730 54 GLU B OE2 +3619 N N . ALA B 55 ? 0.90010 0.66470 0.79900 -0.05930 0.05610 0.07990 55 ALA B N +3620 C CA . ALA B 55 ? 0.86320 0.61060 0.76970 -0.07410 0.02720 0.06810 55 ALA B CA +3621 C C . ALA B 55 ? 0.92810 0.68730 0.87120 -0.09930 0.02300 0.07710 55 ALA B C +3622 O O . ALA B 55 ? 0.95750 0.68980 0.88600 -0.10980 0.00470 0.07290 55 ALA B O +3623 C CB . ALA B 55 ? 0.79510 0.55900 0.73010 -0.07400 0.01460 0.05500 55 ALA B CB +3629 N N . LYS B 56 ? 0.82910 0.62850 0.82050 -0.10930 0.03950 0.08910 56 LYS B N +3630 C CA . LYS B 56 ? 0.93560 0.74790 0.96380 -0.13320 0.03630 0.09810 56 LYS B CA +3631 C C . LYS B 56 ? 1.03200 0.81520 1.02510 -0.13590 0.03770 0.10670 56 LYS B C +3632 O O . LYS B 56 ? 1.13260 0.90470 1.13570 -0.15340 0.02240 0.10660 56 LYS B O +3633 C CB . LYS B 56 ? 0.90240 0.76170 0.98220 -0.14060 0.05780 0.11160 56 LYS B CB +3634 C CG . LYS B 56 ? 0.89560 0.78660 1.02010 -0.14350 0.05350 0.10380 56 LYS B CG +3635 C CD . LYS B 56 ? 0.89210 0.82460 1.04910 -0.13890 0.08010 0.11560 56 LYS B CD +3636 C CE . LYS B 56 ? 1.04920 1.02070 1.27190 -0.16020 0.07980 0.12080 56 LYS B CE +3637 N NZ . LYS B 56 ? 1.05360 1.05960 1.30980 -0.15350 0.08860 0.11820 56 LYS B NZ +3651 N N . LYS B 57 ? 1.02740 0.79740 0.97870 -0.11860 0.05560 0.11400 57 LYS B N +3652 C CA . LYS B 57 ? 1.13470 0.87700 1.05080 -0.12060 0.05810 0.12310 57 LYS B CA +3653 C C . LYS B 57 ? 1.24640 0.94310 1.12020 -0.11860 0.03330 0.11020 57 LYS B C +3654 O O . LYS B 57 ? 1.32030 0.99830 1.18970 -0.13230 0.02160 0.11290 57 LYS B O +3655 C CB . LYS B 57 ? 1.10040 0.84220 0.98270 -0.10230 0.08440 0.13390 57 LYS B CB +3656 C CG . LYS B 57 ? 1.21810 1.00360 1.13970 -0.10570 0.11060 0.14900 57 LYS B CG +3657 C CD . LYS B 57 ? 1.47460 1.25800 1.35930 -0.08720 0.13610 0.15840 57 LYS B CD +3658 C CE . LYS B 57 ? 1.76630 1.59380 1.68990 -0.09110 0.16270 0.17370 57 LYS B CE +3659 N NZ . LYS B 57 ? 1.86220 1.68910 1.74990 -0.07330 0.18810 0.18230 57 LYS B NZ +3673 N N . VAL B 58 ? 1.30290 0.98080 1.14500 -0.10170 0.02460 0.09600 58 VAL B N +3674 C CA . VAL B 58 ? 1.40620 1.04000 1.20510 -0.09850 0.00150 0.08340 58 VAL B CA +3675 C C . VAL B 58 ? 1.40290 1.03470 1.23220 -0.11940 -0.02420 0.07430 58 VAL B C +3676 O O . VAL B 58 ? 1.49980 1.09780 1.30220 -0.12370 -0.04310 0.06750 58 VAL B O +3677 C CB . VAL B 58 ? 1.36140 0.97880 1.12420 -0.07620 -0.00220 0.06990 58 VAL B CB +3678 C CG1 . VAL B 58 ? 1.43730 1.00740 1.15020 -0.07120 -0.02390 0.05810 58 VAL B CG1 +3679 C CG2 . VAL B 58 ? 1.34500 0.97020 1.08410 -0.05580 0.02470 0.07840 58 VAL B CG2 +3689 N N . VAL B 59 ? 1.37530 1.04320 1.26060 -0.13260 -0.02550 0.07350 59 VAL B N +3690 C CA . VAL B 59 ? 1.40550 1.07580 1.32410 -0.15410 -0.04830 0.06570 59 VAL B CA +3691 C C . VAL B 59 ? 1.46670 1.15220 1.40960 -0.16670 -0.04360 0.07550 59 VAL B C +3692 O O . VAL B 59 ? 1.58430 1.29160 1.54290 -0.16130 -0.05400 0.06120 59 VAL B O +3693 C CB . VAL B 59 ? 1.27030 0.97750 1.24060 -0.16140 -0.05080 0.05990 59 VAL B CB +3694 C CG1 . VAL B 59 ? 1.27240 1.03370 1.29360 -0.16120 -0.05060 0.04870 59 VAL B CG1 +3695 C CG2 . VAL B 59 ? 1.18990 0.88290 1.13930 -0.14890 -0.06560 0.04230 59 VAL B CG2 +3705 N N . SER B 60 ? 1.47960 1.17380 1.42930 -0.17220 -0.02190 0.09580 60 SER B N +3706 C CA . SER B 60 ? 1.46600 1.16910 1.43190 -0.18250 -0.01710 0.10550 60 SER B CA +3707 C C . SER B 60 ? 1.50820 1.17110 1.42390 -0.17670 -0.02480 0.10530 60 SER B C +3708 O O . SER B 60 ? 1.48020 1.15340 1.40810 -0.18010 -0.02220 0.10960 60 SER B O +3709 C CB . SER B 60 ? 1.34000 1.06600 1.32400 -0.18780 0.00980 0.12770 60 SER B CB +3710 O OG . SER B 60 ? 1.42650 1.19130 1.45030 -0.18640 0.02000 0.12700 60 SER B OG +3716 N N . THR B 61 ? 1.68190 1.30020 1.54130 -0.16590 -0.03340 0.09910 61 THR B N +3717 C CA . THR B 61 ? 1.72950 1.30840 1.53640 -0.15770 -0.03910 0.09870 61 THR B CA +3718 C C . THR B 61 ? 1.53840 1.13390 1.35760 -0.15130 -0.06250 0.07580 61 THR B C +3719 O O . THR B 61 ? 1.49850 1.09070 1.30900 -0.15050 -0.06790 0.07480 61 THR B O +3720 C CB . THR B 61 ? 1.84540 1.39990 1.59620 -0.13350 -0.02960 0.09650 61 THR B CB +3721 O OG1 . THR B 61 ? 1.83760 1.42050 1.59700 -0.12400 -0.00120 0.10910 61 THR B OG1 +3722 C CG2 . THR B 61 ? 1.59800 1.10870 1.29210 -0.12650 -0.03410 0.09850 61 THR B CG2 +# diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/8s6z.cif b/models/rfd3/docs/tutorials/binder_design_tutorial_files/8s6z.cif new file mode 100644 index 00000000..70a5e22d --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/8s6z.cif @@ -0,0 +1,22496 @@ +data_8S6Z +# +_entry.id 8S6Z +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.402 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 8S6Z pdb_00008s6z 10.2210/pdb8s6z/pdb +WWPDB D_1292136801 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +_pdbx_audit_revision_history.part_number +1 'Structure model' 1 0 2024-12-18 ? +2 'Structure model' 1 1 2025-01-15 ? +3 'Structure model' 1 2 2025-01-22 ? +4 'Structure model' 1 3 2025-03-12 ? +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Database references' +2 3 'Structure model' 'Database references' +3 3 'Structure model' 'Derived calculations' +4 4 'Structure model' 'Database references' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' citation +2 2 'Structure model' citation_author +3 3 'Structure model' citation +4 3 'Structure model' citation_author +5 3 'Structure model' pdbx_struct_assembly_gen +6 4 'Structure model' citation +7 4 'Structure model' citation_author +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 2 'Structure model' '_citation.journal_abbrev' +2 2 'Structure model' '_citation.journal_id_ISSN' +3 2 'Structure model' '_citation.pdbx_database_id_PubMed' +4 2 'Structure model' '_citation.title' +5 2 'Structure model' '_citation.year' +6 3 'Structure model' '_citation.page_first' +7 3 'Structure model' '_citation.page_last' +8 3 'Structure model' '_citation_author.identifier_ORCID' +9 3 'Structure model' '_pdbx_struct_assembly_gen.asym_id_list' +10 4 'Structure model' '_citation.journal_volume' +11 4 'Structure model' '_citation.page_first' +12 4 'Structure model' '_citation.page_last' +13 4 'Structure model' '_citation_author.identifier_ORCID' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 8S6Z +_pdbx_database_status.recvd_initial_deposition_date 2024-02-28 +_pdbx_database_status.SG_entry N +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +# +_pdbx_contact_author.id 2 +_pdbx_contact_author.email Sara.Majocchi@lightchainbio.com +_pdbx_contact_author.name_first Sara +_pdbx_contact_author.name_last Majocchi +_pdbx_contact_author.name_mi ? +_pdbx_contact_author.role 'principal investigator/group leader' +_pdbx_contact_author.identifier_ORCID 0009-0008-9237-7935 +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Majocchi, S.' 1 0009-0008-9237-7935 +'Giovanni, M.' 2 0009-0009-0651-8031 +'Malinge, P.' 3 0009-0006-4000-8981 +'Fischer, N.' 4 0000-0003-0432-6246 +'Svensson, L.A.' 5 0000-0003-3357-5049 +'Kelpsas, V.' 6 0000-0002-7969-349X +'Rose, N.C.' 7 0000-0002-8729-064X +# +_citation.abstract ? +_citation.abstract_id_CAS ? +_citation.book_id_ISBN ? +_citation.book_publisher ? +_citation.book_publisher_city ? +_citation.book_title ? +_citation.coordinate_linkage ? +_citation.country ? +_citation.database_id_Medline ? +_citation.details ? +_citation.id primary +_citation.journal_abbrev 'Cancer Immunol Res' +_citation.journal_id_ASTM ? +_citation.journal_id_CSD ? +_citation.journal_id_ISSN 2326-6074 +_citation.journal_full ? +_citation.journal_issue ? +_citation.journal_volume 13 +_citation.language ? +_citation.page_first 365 +_citation.page_last 383 +_citation.title +'NI-3201 Is a Bispecific Antibody Mediating PD-L1-Dependent CD28 Co-stimulation on T Cells for Enhanced Tumor Control.' +_citation.year 2025 +_citation.database_id_CSD ? +_citation.pdbx_database_id_DOI 10.1158/2326-6066.CIR-24-0298 +_citation.pdbx_database_id_PubMed 39760515 +_citation.pdbx_database_id_patent ? +_citation.unpublished_flag ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Majocchi, S.' 1 ? +primary 'Lloveras, P.' 2 ? +primary 'Nouveau, L.' 3 ? +primary 'Legrand, M.' 4 ? +primary 'Viandier, A.' 5 ? +primary 'Malinge, P.' 6 ? +primary 'Charreton, M.' 7 ? +primary 'Raymond, C.' 8 ? +primary 'Pace, E.A.' 9 ? +primary 'Millard, B.L.' 10 ? +primary 'Svensson, L.A.' 11 ? +primary 'Kelpsas, V.' 12 ? +primary 'Anceriz, N.' 13 ? +primary 'Salgado-Pires, S.' 14 ? +primary 'Daubeuf, B.' 15 ? +primary 'Magistrelli, G.' 16 ? +primary 'Gueneau, F.' 17 ? +primary 'Moine, V.' 18 ? +primary 'Masternak, K.' 19 ? +primary 'Shang, L.' 20 ? +primary 'Fischer, N.' 21 ? +primary 'Ferlin, W.G.' 22 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Heavy chain Fab fragment of AI3 antibody' 23468.174 2 ? ? ? ? +2 polymer man 'Light chain of AI3 antibody' 24212.848 2 ? ? ? ? +3 polymer man 'T-cell-specific surface glycoprotein CD28' 15159.320 2 ? ? ? ? +4 branched man '2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose' 424.401 1 ? ? ? ? +5 non-polymer syn IMIDAZOLE 69.085 7 ? ? ? ? +6 non-polymer syn GLYCEROL 92.094 6 ? ? ? ? +7 non-polymer syn 'ZINC ION' 65.409 26 ? ? ? ? +8 non-polymer syn 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208 9 ? ? ? ? +9 water nat water 18.015 27 ? ? ? ? +# +_entity_name_com.entity_id 3 +_entity_name_com.name TP44 +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLY +LQMNSLRAEDTAVYYCAKSYGAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSG +ALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH +; +;EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLY +LQMNSLRAEDTAVYYCAKSYGAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSG +ALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH +; +A,D ? +2 'polypeptide(L)' no no +;DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLT +ISSLQAEDVAVYYCQQNLRPPETFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNAL +QSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC +; +;DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLT +ISSLQAEDVAVYYCQQNLRPPETFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNAL +QSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC +; +B,E ? +3 'polypeptide(L)' no no +;NKILVKQSPMLVAYDNAVNLSCKYSYNLFSREFRASLHKGLDSAVEVCVVYGNYSQQLQVYSKTGFNCDGKLGNESVTFY +LQNLYVNQTDIYFCKIEVMYPPPYLDNEKSNGTIIHVKGKHLCPSPLFPGPSKP +; +;NKILVKQSPMLVAYDNAVNLSCKYSYNLFSREFRASLHKGLDSAVEVCVVYGNYSQQLQVYSKTGFNCDGKLGNESVTFY +LQNLYVNQTDIYFCKIEVMYPPPYLDNEKSNGTIIHVKGKHLCPSPLFPGPSKP +; +C,F ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +5 IMIDAZOLE IMD +6 GLYCEROL GOL +7 'ZINC ION' ZN +8 2-acetamido-2-deoxy-beta-D-glucopyranose NAG +9 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLU n +1 2 VAL n +1 3 GLN n +1 4 LEU n +1 5 LEU n +1 6 GLU n +1 7 SER n +1 8 GLY n +1 9 GLY n +1 10 GLY n +1 11 LEU n +1 12 VAL n +1 13 GLN n +1 14 PRO n +1 15 GLY n +1 16 GLY n +1 17 SER n +1 18 LEU n +1 19 ARG n +1 20 LEU n +1 21 SER n +1 22 CYS n +1 23 ALA n +1 24 ALA n +1 25 SER n +1 26 GLY n +1 27 PHE n +1 28 THR n +1 29 PHE n +1 30 SER n +1 31 SER n +1 32 TYR n +1 33 ALA n +1 34 MET n +1 35 SER n +1 36 TRP n +1 37 VAL n +1 38 ARG n +1 39 GLN n +1 40 ALA n +1 41 PRO n +1 42 GLY n +1 43 LYS n +1 44 GLY n +1 45 LEU n +1 46 GLU n +1 47 TRP n +1 48 VAL n +1 49 SER n +1 50 ALA n +1 51 ILE n +1 52 SER n +1 53 GLY n +1 54 SER n +1 55 GLY n +1 56 GLY n +1 57 SER n +1 58 THR n +1 59 TYR n +1 60 TYR n +1 61 ALA n +1 62 ASP n +1 63 SER n +1 64 VAL n +1 65 LYS n +1 66 GLY n +1 67 ARG n +1 68 PHE n +1 69 THR n +1 70 ILE n +1 71 SER n +1 72 ARG n +1 73 ASP n +1 74 ASN n +1 75 SER n +1 76 LYS n +1 77 ASN n +1 78 THR n +1 79 LEU n +1 80 TYR n +1 81 LEU n +1 82 GLN n +1 83 MET n +1 84 ASN n +1 85 SER n +1 86 LEU n +1 87 ARG n +1 88 ALA n +1 89 GLU n +1 90 ASP n +1 91 THR n +1 92 ALA n +1 93 VAL n +1 94 TYR n +1 95 TYR n +1 96 CYS n +1 97 ALA n +1 98 LYS n +1 99 SER n +1 100 TYR n +1 101 GLY n +1 102 ALA n +1 103 PHE n +1 104 ASP n +1 105 TYR n +1 106 TRP n +1 107 GLY n +1 108 GLN n +1 109 GLY n +1 110 THR n +1 111 LEU n +1 112 VAL n +1 113 THR n +1 114 VAL n +1 115 SER n +1 116 SER n +1 117 ALA n +1 118 SER n +1 119 THR n +1 120 LYS n +1 121 GLY n +1 122 PRO n +1 123 SER n +1 124 VAL n +1 125 PHE n +1 126 PRO n +1 127 LEU n +1 128 ALA n +1 129 PRO n +1 130 SER n +1 131 SER n +1 132 LYS n +1 133 SER n +1 134 THR n +1 135 SER n +1 136 GLY n +1 137 GLY n +1 138 THR n +1 139 ALA n +1 140 ALA n +1 141 LEU n +1 142 GLY n +1 143 CYS n +1 144 LEU n +1 145 VAL n +1 146 LYS n +1 147 ASP n +1 148 TYR n +1 149 PHE n +1 150 PRO n +1 151 GLU n +1 152 PRO n +1 153 VAL n +1 154 THR n +1 155 VAL n +1 156 SER n +1 157 TRP n +1 158 ASN n +1 159 SER n +1 160 GLY n +1 161 ALA n +1 162 LEU n +1 163 THR n +1 164 SER n +1 165 GLY n +1 166 VAL n +1 167 HIS n +1 168 THR n +1 169 PHE n +1 170 PRO n +1 171 ALA n +1 172 VAL n +1 173 LEU n +1 174 GLN n +1 175 SER n +1 176 SER n +1 177 GLY n +1 178 LEU n +1 179 TYR n +1 180 SER n +1 181 LEU n +1 182 SER n +1 183 SER n +1 184 VAL n +1 185 VAL n +1 186 THR n +1 187 VAL n +1 188 PRO n +1 189 SER n +1 190 SER n +1 191 SER n +1 192 LEU n +1 193 GLY n +1 194 THR n +1 195 GLN n +1 196 THR n +1 197 TYR n +1 198 ILE n +1 199 CYS n +1 200 ASN n +1 201 VAL n +1 202 ASN n +1 203 HIS n +1 204 LYS n +1 205 PRO n +1 206 SER n +1 207 ASN n +1 208 THR n +1 209 LYS n +1 210 VAL n +1 211 ASP n +1 212 LYS n +1 213 ARG n +1 214 VAL n +1 215 GLU n +1 216 PRO n +1 217 LYS n +1 218 SER n +1 219 CYS n +1 220 ASP n +1 221 LYS n +1 222 THR n +1 223 HIS n +2 1 ASP n +2 2 ILE n +2 3 VAL n +2 4 MET n +2 5 THR n +2 6 GLN n +2 7 SER n +2 8 PRO n +2 9 ASP n +2 10 SER n +2 11 LEU n +2 12 ALA n +2 13 VAL n +2 14 SER n +2 15 LEU n +2 16 GLY n +2 17 GLU n +2 18 ARG n +2 19 ALA n +2 20 THR n +2 21 ILE n +2 22 ASN n +2 23 CYS n +2 24 LYS n +2 25 SER n +2 26 SER n +2 27 GLN n +2 28 SER n +2 29 VAL n +2 30 LEU n +2 31 TYR n +2 32 SER n +2 33 SER n +2 34 ASN n +2 35 ASN n +2 36 LYS n +2 37 ASN n +2 38 TYR n +2 39 LEU n +2 40 ALA n +2 41 TRP n +2 42 TYR n +2 43 GLN n +2 44 GLN n +2 45 LYS n +2 46 PRO n +2 47 GLY n +2 48 GLN n +2 49 PRO n +2 50 PRO n +2 51 LYS n +2 52 LEU n +2 53 LEU n +2 54 ILE n +2 55 TYR n +2 56 TRP n +2 57 ALA n +2 58 SER n +2 59 THR n +2 60 ARG n +2 61 GLU n +2 62 SER n +2 63 GLY n +2 64 VAL n +2 65 PRO n +2 66 ASP n +2 67 ARG n +2 68 PHE n +2 69 SER n +2 70 GLY n +2 71 SER n +2 72 GLY n +2 73 SER n +2 74 GLY n +2 75 THR n +2 76 ASP n +2 77 PHE n +2 78 THR n +2 79 LEU n +2 80 THR n +2 81 ILE n +2 82 SER n +2 83 SER n +2 84 LEU n +2 85 GLN n +2 86 ALA n +2 87 GLU n +2 88 ASP n +2 89 VAL n +2 90 ALA n +2 91 VAL n +2 92 TYR n +2 93 TYR n +2 94 CYS n +2 95 GLN n +2 96 GLN n +2 97 ASN n +2 98 LEU n +2 99 ARG n +2 100 PRO n +2 101 PRO n +2 102 GLU n +2 103 THR n +2 104 PHE n +2 105 GLY n +2 106 GLN n +2 107 GLY n +2 108 THR n +2 109 LYS n +2 110 VAL n +2 111 GLU n +2 112 ILE n +2 113 LYS n +2 114 ARG n +2 115 THR n +2 116 VAL n +2 117 ALA n +2 118 ALA n +2 119 PRO n +2 120 SER n +2 121 VAL n +2 122 PHE n +2 123 ILE n +2 124 PHE n +2 125 PRO n +2 126 PRO n +2 127 SER n +2 128 ASP n +2 129 GLU n +2 130 GLN n +2 131 LEU n +2 132 LYS n +2 133 SER n +2 134 GLY n +2 135 THR n +2 136 ALA n +2 137 SER n +2 138 VAL n +2 139 VAL n +2 140 CYS n +2 141 LEU n +2 142 LEU n +2 143 ASN n +2 144 ASN n +2 145 PHE n +2 146 TYR n +2 147 PRO n +2 148 ARG n +2 149 GLU n +2 150 ALA n +2 151 LYS n +2 152 VAL n +2 153 GLN n +2 154 TRP n +2 155 LYS n +2 156 VAL n +2 157 ASP n +2 158 ASN n +2 159 ALA n +2 160 LEU n +2 161 GLN n +2 162 SER n +2 163 GLY n +2 164 ASN n +2 165 SER n +2 166 GLN n +2 167 GLU n +2 168 SER n +2 169 VAL n +2 170 THR n +2 171 GLU n +2 172 GLN n +2 173 ASP n +2 174 SER n +2 175 LYS n +2 176 ASP n +2 177 SER n +2 178 THR n +2 179 TYR n +2 180 SER n +2 181 LEU n +2 182 SER n +2 183 SER n +2 184 THR n +2 185 LEU n +2 186 THR n +2 187 LEU n +2 188 SER n +2 189 LYS n +2 190 ALA n +2 191 ASP n +2 192 TYR n +2 193 GLU n +2 194 LYS n +2 195 HIS n +2 196 LYS n +2 197 VAL n +2 198 TYR n +2 199 ALA n +2 200 CYS n +2 201 GLU n +2 202 VAL n +2 203 THR n +2 204 HIS n +2 205 GLN n +2 206 GLY n +2 207 LEU n +2 208 SER n +2 209 SER n +2 210 PRO n +2 211 VAL n +2 212 THR n +2 213 LYS n +2 214 SER n +2 215 PHE n +2 216 ASN n +2 217 ARG n +2 218 GLY n +2 219 GLU n +2 220 CYS n +3 1 ASN n +3 2 LYS n +3 3 ILE n +3 4 LEU n +3 5 VAL n +3 6 LYS n +3 7 GLN n +3 8 SER n +3 9 PRO n +3 10 MET n +3 11 LEU n +3 12 VAL n +3 13 ALA n +3 14 TYR n +3 15 ASP n +3 16 ASN n +3 17 ALA n +3 18 VAL n +3 19 ASN n +3 20 LEU n +3 21 SER n +3 22 CYS n +3 23 LYS n +3 24 TYR n +3 25 SER n +3 26 TYR n +3 27 ASN n +3 28 LEU n +3 29 PHE n +3 30 SER n +3 31 ARG n +3 32 GLU n +3 33 PHE n +3 34 ARG n +3 35 ALA n +3 36 SER n +3 37 LEU n +3 38 HIS n +3 39 LYS n +3 40 GLY n +3 41 LEU n +3 42 ASP n +3 43 SER n +3 44 ALA n +3 45 VAL n +3 46 GLU n +3 47 VAL n +3 48 CYS n +3 49 VAL n +3 50 VAL n +3 51 TYR n +3 52 GLY n +3 53 ASN n +3 54 TYR n +3 55 SER n +3 56 GLN n +3 57 GLN n +3 58 LEU n +3 59 GLN n +3 60 VAL n +3 61 TYR n +3 62 SER n +3 63 LYS n +3 64 THR n +3 65 GLY n +3 66 PHE n +3 67 ASN n +3 68 CYS n +3 69 ASP n +3 70 GLY n +3 71 LYS n +3 72 LEU n +3 73 GLY n +3 74 ASN n +3 75 GLU n +3 76 SER n +3 77 VAL n +3 78 THR n +3 79 PHE n +3 80 TYR n +3 81 LEU n +3 82 GLN n +3 83 ASN n +3 84 LEU n +3 85 TYR n +3 86 VAL n +3 87 ASN n +3 88 GLN n +3 89 THR n +3 90 ASP n +3 91 ILE n +3 92 TYR n +3 93 PHE n +3 94 CYS n +3 95 LYS n +3 96 ILE n +3 97 GLU n +3 98 VAL n +3 99 MET n +3 100 TYR n +3 101 PRO n +3 102 PRO n +3 103 PRO n +3 104 TYR n +3 105 LEU n +3 106 ASP n +3 107 ASN n +3 108 GLU n +3 109 LYS n +3 110 SER n +3 111 ASN n +3 112 GLY n +3 113 THR n +3 114 ILE n +3 115 ILE n +3 116 HIS n +3 117 VAL n +3 118 LYS n +3 119 GLY n +3 120 LYS n +3 121 HIS n +3 122 LEU n +3 123 CYS n +3 124 PRO n +3 125 SER n +3 126 PRO n +3 127 LEU n +3 128 PHE n +3 129 PRO n +3 130 GLY n +3 131 PRO n +3 132 SER n +3 133 LYS n +3 134 PRO n +# +loop_ +_entity_src_gen.entity_id +_entity_src_gen.pdbx_src_id +_entity_src_gen.pdbx_alt_source_flag +_entity_src_gen.pdbx_seq_type +_entity_src_gen.pdbx_beg_seq_num +_entity_src_gen.pdbx_end_seq_num +_entity_src_gen.gene_src_common_name +_entity_src_gen.gene_src_genus +_entity_src_gen.pdbx_gene_src_gene +_entity_src_gen.gene_src_species +_entity_src_gen.gene_src_strain +_entity_src_gen.gene_src_tissue +_entity_src_gen.gene_src_tissue_fraction +_entity_src_gen.gene_src_details +_entity_src_gen.pdbx_gene_src_fragment +_entity_src_gen.pdbx_gene_src_scientific_name +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id +_entity_src_gen.pdbx_gene_src_variant +_entity_src_gen.pdbx_gene_src_cell_line +_entity_src_gen.pdbx_gene_src_atcc +_entity_src_gen.pdbx_gene_src_organ +_entity_src_gen.pdbx_gene_src_organelle +_entity_src_gen.pdbx_gene_src_cell +_entity_src_gen.pdbx_gene_src_cellular_location +_entity_src_gen.host_org_common_name +_entity_src_gen.pdbx_host_org_scientific_name +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id +_entity_src_gen.host_org_genus +_entity_src_gen.pdbx_host_org_gene +_entity_src_gen.pdbx_host_org_organ +_entity_src_gen.host_org_species +_entity_src_gen.pdbx_host_org_tissue +_entity_src_gen.pdbx_host_org_tissue_fraction +_entity_src_gen.pdbx_host_org_strain +_entity_src_gen.pdbx_host_org_variant +_entity_src_gen.pdbx_host_org_cell_line +_entity_src_gen.pdbx_host_org_atcc +_entity_src_gen.pdbx_host_org_culture_collection +_entity_src_gen.pdbx_host_org_cell +_entity_src_gen.pdbx_host_org_organelle +_entity_src_gen.pdbx_host_org_cellular_location +_entity_src_gen.pdbx_host_org_vector_type +_entity_src_gen.pdbx_host_org_vector +_entity_src_gen.host_org_details +_entity_src_gen.expression_system_id +_entity_src_gen.plasmid_name +_entity_src_gen.plasmid_details +_entity_src_gen.pdbx_description +1 1 sample 'Biological sequence' 1 223 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? +? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +2 1 sample 'Biological sequence' 1 220 ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? +? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +3 1 sample 'Biological sequence' 1 134 human ? CD28 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Cricetulus griseus' 10029 ? ? +? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +# +_pdbx_entity_branch.entity_id 4 +_pdbx_entity_branch.type oligosaccharide +# +loop_ +_pdbx_entity_branch_descriptor.ordinal +_pdbx_entity_branch_descriptor.entity_id +_pdbx_entity_branch_descriptor.descriptor +_pdbx_entity_branch_descriptor.type +_pdbx_entity_branch_descriptor.program +_pdbx_entity_branch_descriptor.program_version +1 4 DGlcpNAcb1-4DGlcpNAcb1- 'Glycam Condensed Sequence' GMML 1.0 +2 4 'WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1' WURCS PDB2Glycan 1.1.0 +3 4 '[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}' LINUCS PDB-CARE ? +# +_pdbx_entity_branch_link.link_id 1 +_pdbx_entity_branch_link.entity_id 4 +_pdbx_entity_branch_link.entity_branch_list_num_1 2 +_pdbx_entity_branch_link.comp_id_1 NAG +_pdbx_entity_branch_link.atom_id_1 C1 +_pdbx_entity_branch_link.leaving_atom_id_1 O1 +_pdbx_entity_branch_link.entity_branch_list_num_2 1 +_pdbx_entity_branch_link.comp_id_2 NAG +_pdbx_entity_branch_link.atom_id_2 O4 +_pdbx_entity_branch_link.leaving_atom_id_2 HO4 +_pdbx_entity_branch_link.value_order sing +_pdbx_entity_branch_link.details ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' +92.094 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +IMD non-polymer . IMIDAZOLE ? 'C3 H5 N2 1' 69.085 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +NAG 'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose +;N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE +; +'C8 H15 N O6' 221.208 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 +# +loop_ +_pdbx_chem_comp_identifier.comp_id +_pdbx_chem_comp_identifier.type +_pdbx_chem_comp_identifier.program +_pdbx_chem_comp_identifier.program_version +_pdbx_chem_comp_identifier.identifier +NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DGlcpNAcb +NAG 'COMMON NAME' GMML 1.0 N-acetyl-b-D-glucopyranosamine +NAG 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-GlcpNAc +NAG 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 GlcNAc +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLU 1 1 1 GLU GLU A . n +A 1 2 VAL 2 2 2 VAL VAL A . n +A 1 3 GLN 3 3 3 GLN GLN A . n +A 1 4 LEU 4 4 4 LEU LEU A . n +A 1 5 LEU 5 5 5 LEU LEU A . n +A 1 6 GLU 6 6 6 GLU GLU A . n +A 1 7 SER 7 7 7 SER SER A . n +A 1 8 GLY 8 8 8 GLY GLY A . n +A 1 9 GLY 9 9 9 GLY GLY A . n +A 1 10 GLY 10 10 10 GLY GLY A . n +A 1 11 LEU 11 11 11 LEU LEU A . n +A 1 12 VAL 12 12 12 VAL VAL A . n +A 1 13 GLN 13 13 13 GLN GLN A . n +A 1 14 PRO 14 14 14 PRO PRO A . n +A 1 15 GLY 15 15 15 GLY GLY A . n +A 1 16 GLY 16 16 16 GLY GLY A . n +A 1 17 SER 17 17 17 SER SER A . n +A 1 18 LEU 18 18 18 LEU LEU A . n +A 1 19 ARG 19 19 19 ARG ARG A . n +A 1 20 LEU 20 20 20 LEU LEU A . n +A 1 21 SER 21 21 21 SER SER A . n +A 1 22 CYS 22 22 22 CYS CYS A . n +A 1 23 ALA 23 23 23 ALA ALA A . n +A 1 24 ALA 24 24 24 ALA ALA A . n +A 1 25 SER 25 25 25 SER SER A . n +A 1 26 GLY 26 26 26 GLY GLY A . n +A 1 27 PHE 27 27 27 PHE PHE A . n +A 1 28 THR 28 28 28 THR THR A . n +A 1 29 PHE 29 29 29 PHE PHE A . n +A 1 30 SER 30 30 30 SER SER A . n +A 1 31 SER 31 31 31 SER SER A . n +A 1 32 TYR 32 32 32 TYR TYR A . n +A 1 33 ALA 33 33 33 ALA ALA A . n +A 1 34 MET 34 34 34 MET MET A . n +A 1 35 SER 35 35 35 SER SER A . n +A 1 36 TRP 36 36 36 TRP TRP A . n +A 1 37 VAL 37 37 37 VAL VAL A . n +A 1 38 ARG 38 38 38 ARG ARG A . n +A 1 39 GLN 39 39 39 GLN GLN A . n +A 1 40 ALA 40 40 40 ALA ALA A . n +A 1 41 PRO 41 41 41 PRO PRO A . n +A 1 42 GLY 42 42 42 GLY GLY A . n +A 1 43 LYS 43 43 43 LYS LYS A . n +A 1 44 GLY 44 44 44 GLY GLY A . n +A 1 45 LEU 45 45 45 LEU LEU A . n +A 1 46 GLU 46 46 46 GLU GLU A . n +A 1 47 TRP 47 47 47 TRP TRP A . n +A 1 48 VAL 48 48 48 VAL VAL A . n +A 1 49 SER 49 49 49 SER SER A . n +A 1 50 ALA 50 50 50 ALA ALA A . n +A 1 51 ILE 51 51 51 ILE ILE A . n +A 1 52 SER 52 52 52 SER SER A . n +A 1 53 GLY 53 52 52 GLY GLY A A n +A 1 54 SER 54 53 53 SER SER A . n +A 1 55 GLY 55 54 54 GLY GLY A . n +A 1 56 GLY 56 55 55 GLY GLY A . n +A 1 57 SER 57 56 56 SER SER A . n +A 1 58 THR 58 57 57 THR THR A . n +A 1 59 TYR 59 58 58 TYR TYR A . n +A 1 60 TYR 60 59 59 TYR TYR A . n +A 1 61 ALA 61 60 60 ALA ALA A . n +A 1 62 ASP 62 61 61 ASP ASP A . n +A 1 63 SER 63 62 62 SER SER A . n +A 1 64 VAL 64 63 63 VAL VAL A . n +A 1 65 LYS 65 64 64 LYS LYS A . n +A 1 66 GLY 66 65 65 GLY GLY A . n +A 1 67 ARG 67 66 66 ARG ARG A . n +A 1 68 PHE 68 67 67 PHE PHE A . n +A 1 69 THR 69 68 68 THR THR A . n +A 1 70 ILE 70 69 69 ILE ILE A . n +A 1 71 SER 71 70 70 SER SER A . n +A 1 72 ARG 72 71 71 ARG ARG A . n +A 1 73 ASP 73 72 72 ASP ASP A . n +A 1 74 ASN 74 73 73 ASN ASN A . n +A 1 75 SER 75 74 74 SER SER A . n +A 1 76 LYS 76 75 75 LYS LYS A . n +A 1 77 ASN 77 76 76 ASN ASN A . n +A 1 78 THR 78 77 77 THR THR A . n +A 1 79 LEU 79 78 78 LEU LEU A . n +A 1 80 TYR 80 79 79 TYR TYR A . n +A 1 81 LEU 81 80 80 LEU LEU A . n +A 1 82 GLN 82 81 81 GLN GLN A . n +A 1 83 MET 83 82 82 MET MET A . n +A 1 84 ASN 84 82 82 ASN ASN A A n +A 1 85 SER 85 82 82 SER SER A B n +A 1 86 LEU 86 82 82 LEU LEU A C n +A 1 87 ARG 87 83 83 ARG ARG A . n +A 1 88 ALA 88 84 84 ALA ALA A . n +A 1 89 GLU 89 85 85 GLU GLU A . n +A 1 90 ASP 90 86 86 ASP ASP A . n +A 1 91 THR 91 87 87 THR THR A . n +A 1 92 ALA 92 88 88 ALA ALA A . n +A 1 93 VAL 93 89 89 VAL VAL A . n +A 1 94 TYR 94 90 90 TYR TYR A . n +A 1 95 TYR 95 91 91 TYR TYR A . n +A 1 96 CYS 96 92 92 CYS CYS A . n +A 1 97 ALA 97 93 93 ALA ALA A . n +A 1 98 LYS 98 94 94 LYS LYS A . n +A 1 99 SER 99 95 95 SER SER A . n +A 1 100 TYR 100 96 96 TYR TYR A . n +A 1 101 GLY 101 97 97 GLY GLY A . n +A 1 102 ALA 102 98 98 ALA ALA A . n +A 1 103 PHE 103 99 99 PHE PHE A . n +A 1 104 ASP 104 100 100 ASP ASP A . n +A 1 105 TYR 105 101 101 TYR TYR A . n +A 1 106 TRP 106 102 102 TRP TRP A . n +A 1 107 GLY 107 103 103 GLY GLY A . n +A 1 108 GLN 108 104 104 GLN GLN A . n +A 1 109 GLY 109 105 105 GLY GLY A . n +A 1 110 THR 110 106 106 THR THR A . n +A 1 111 LEU 111 107 107 LEU LEU A . n +A 1 112 VAL 112 108 108 VAL VAL A . n +A 1 113 THR 113 109 109 THR THR A . n +A 1 114 VAL 114 110 110 VAL VAL A . n +A 1 115 SER 115 111 111 SER SER A . n +A 1 116 SER 116 112 112 SER SER A . n +A 1 117 ALA 117 113 113 ALA ALA A . n +A 1 118 SER 118 114 114 SER SER A . n +A 1 119 THR 119 115 115 THR THR A . n +A 1 120 LYS 120 116 116 LYS LYS A . n +A 1 121 GLY 121 117 117 GLY GLY A . n +A 1 122 PRO 122 118 118 PRO PRO A . n +A 1 123 SER 123 119 119 SER SER A . n +A 1 124 VAL 124 120 120 VAL VAL A . n +A 1 125 PHE 125 121 121 PHE PHE A . n +A 1 126 PRO 126 122 122 PRO PRO A . n +A 1 127 LEU 127 123 123 LEU LEU A . n +A 1 128 ALA 128 124 124 ALA ALA A . n +A 1 129 PRO 129 125 125 PRO PRO A . n +A 1 130 SER 130 126 126 SER SER A . n +A 1 131 SER 131 127 127 SER SER A . n +A 1 132 LYS 132 128 128 LYS LYS A . n +A 1 133 SER 133 129 129 SER SER A . n +A 1 134 THR 134 130 130 THR THR A . n +A 1 135 SER 135 131 131 SER SER A . n +A 1 136 GLY 136 132 132 GLY GLY A . n +A 1 137 GLY 137 133 133 GLY GLY A . n +A 1 138 THR 138 134 134 THR THR A . n +A 1 139 ALA 139 135 135 ALA ALA A . n +A 1 140 ALA 140 136 136 ALA ALA A . n +A 1 141 LEU 141 137 137 LEU LEU A . n +A 1 142 GLY 142 138 138 GLY GLY A . n +A 1 143 CYS 143 139 139 CYS CYS A . n +A 1 144 LEU 144 140 140 LEU LEU A . n +A 1 145 VAL 145 141 141 VAL VAL A . n +A 1 146 LYS 146 142 142 LYS LYS A . n +A 1 147 ASP 147 143 143 ASP ASP A . n +A 1 148 TYR 148 144 144 TYR TYR A . n +A 1 149 PHE 149 145 145 PHE PHE A . n +A 1 150 PRO 150 146 146 PRO PRO A . n +A 1 151 GLU 151 147 147 GLU GLU A . n +A 1 152 PRO 152 148 148 PRO PRO A . n +A 1 153 VAL 153 149 149 VAL VAL A . n +A 1 154 THR 154 150 150 THR THR A . n +A 1 155 VAL 155 151 151 VAL VAL A . n +A 1 156 SER 156 152 152 SER SER A . n +A 1 157 TRP 157 153 153 TRP TRP A . n +A 1 158 ASN 158 154 154 ASN ASN A . n +A 1 159 SER 159 155 155 SER SER A . n +A 1 160 GLY 160 156 156 GLY GLY A . n +A 1 161 ALA 161 157 157 ALA ALA A . n +A 1 162 LEU 162 158 158 LEU LEU A . n +A 1 163 THR 163 159 159 THR THR A . n +A 1 164 SER 164 160 160 SER SER A . n +A 1 165 GLY 165 161 161 GLY GLY A . n +A 1 166 VAL 166 162 162 VAL VAL A . n +A 1 167 HIS 167 163 163 HIS HIS A . n +A 1 168 THR 168 164 164 THR THR A . n +A 1 169 PHE 169 165 165 PHE PHE A . n +A 1 170 PRO 170 166 166 PRO PRO A . n +A 1 171 ALA 171 167 167 ALA ALA A . n +A 1 172 VAL 172 168 168 VAL VAL A . n +A 1 173 LEU 173 169 169 LEU LEU A . n +A 1 174 GLN 174 170 170 GLN GLN A . n +A 1 175 SER 175 171 171 SER SER A . n +A 1 176 SER 176 172 172 SER SER A . n +A 1 177 GLY 177 173 173 GLY GLY A . n +A 1 178 LEU 178 174 174 LEU LEU A . n +A 1 179 TYR 179 175 175 TYR TYR A . n +A 1 180 SER 180 176 176 SER SER A . n +A 1 181 LEU 181 177 177 LEU LEU A . n +A 1 182 SER 182 178 178 SER SER A . n +A 1 183 SER 183 179 179 SER SER A . n +A 1 184 VAL 184 180 180 VAL VAL A . n +A 1 185 VAL 185 181 181 VAL VAL A . n +A 1 186 THR 186 182 182 THR THR A . n +A 1 187 VAL 187 183 183 VAL VAL A . n +A 1 188 PRO 188 184 184 PRO PRO A . n +A 1 189 SER 189 185 185 SER SER A . n +A 1 190 SER 190 186 186 SER SER A . n +A 1 191 SER 191 187 187 SER SER A . n +A 1 192 LEU 192 188 188 LEU LEU A . n +A 1 193 GLY 193 189 189 GLY GLY A . n +A 1 194 THR 194 190 190 THR THR A . n +A 1 195 GLN 195 191 191 GLN GLN A . n +A 1 196 THR 196 192 192 THR THR A . n +A 1 197 TYR 197 193 193 TYR TYR A . n +A 1 198 ILE 198 194 194 ILE ILE A . n +A 1 199 CYS 199 195 195 CYS CYS A . n +A 1 200 ASN 200 196 196 ASN ASN A . n +A 1 201 VAL 201 197 197 VAL VAL A . n +A 1 202 ASN 202 198 198 ASN ASN A . n +A 1 203 HIS 203 199 199 HIS HIS A . n +A 1 204 LYS 204 200 200 LYS LYS A . n +A 1 205 PRO 205 201 201 PRO PRO A . n +A 1 206 SER 206 202 202 SER SER A . n +A 1 207 ASN 207 203 203 ASN ASN A . n +A 1 208 THR 208 204 204 THR THR A . n +A 1 209 LYS 209 205 205 LYS LYS A . n +A 1 210 VAL 210 206 206 VAL VAL A . n +A 1 211 ASP 211 207 207 ASP ASP A . n +A 1 212 LYS 212 208 208 LYS LYS A . n +A 1 213 ARG 213 209 209 ARG ARG A . n +A 1 214 VAL 214 210 210 VAL VAL A . n +A 1 215 GLU 215 211 211 GLU GLU A . n +A 1 216 PRO 216 212 212 PRO PRO A . n +A 1 217 LYS 217 213 213 LYS LYS A . n +A 1 218 SER 218 214 ? ? ? A . n +A 1 219 CYS 219 215 ? ? ? A . n +A 1 220 ASP 220 216 ? ? ? A . n +A 1 221 LYS 221 217 ? ? ? A . n +A 1 222 THR 222 218 ? ? ? A . n +A 1 223 HIS 223 219 ? ? ? A . n +B 2 1 ASP 1 1 1 ASP ASP B . n +B 2 2 ILE 2 2 2 ILE ILE B . n +B 2 3 VAL 3 3 3 VAL VAL B . n +B 2 4 MET 4 4 4 MET MET B . n +B 2 5 THR 5 5 5 THR THR B . n +B 2 6 GLN 6 6 6 GLN GLN B . n +B 2 7 SER 7 7 7 SER SER B . n +B 2 8 PRO 8 8 8 PRO PRO B . n +B 2 9 ASP 9 9 9 ASP ASP B . n +B 2 10 SER 10 10 10 SER SER B . n +B 2 11 LEU 11 11 11 LEU LEU B . n +B 2 12 ALA 12 12 12 ALA ALA B . n +B 2 13 VAL 13 13 13 VAL VAL B . n +B 2 14 SER 14 14 14 SER SER B . n +B 2 15 LEU 15 15 15 LEU LEU B . n +B 2 16 GLY 16 16 16 GLY GLY B . n +B 2 17 GLU 17 17 17 GLU GLU B . n +B 2 18 ARG 18 18 18 ARG ARG B . n +B 2 19 ALA 19 19 19 ALA ALA B . n +B 2 20 THR 20 20 20 THR THR B . n +B 2 21 ILE 21 21 21 ILE ILE B . n +B 2 22 ASN 22 22 22 ASN ASN B . n +B 2 23 CYS 23 23 23 CYS CYS B . n +B 2 24 LYS 24 24 24 LYS LYS B . n +B 2 25 SER 25 25 25 SER SER B . n +B 2 26 SER 26 26 26 SER SER B . n +B 2 27 GLN 27 27 27 GLN GLN B . n +B 2 28 SER 28 27 27 SER SER B A n +B 2 29 VAL 29 27 27 VAL VAL B B n +B 2 30 LEU 30 27 27 LEU LEU B C n +B 2 31 TYR 31 27 27 TYR TYR B D n +B 2 32 SER 32 27 27 SER SER B E n +B 2 33 SER 33 27 27 SER SER B F n +B 2 34 ASN 34 28 28 ASN ASN B . n +B 2 35 ASN 35 29 29 ASN ASN B . n +B 2 36 LYS 36 30 30 LYS LYS B . n +B 2 37 ASN 37 31 31 ASN ASN B . n +B 2 38 TYR 38 32 32 TYR TYR B . n +B 2 39 LEU 39 33 33 LEU LEU B . n +B 2 40 ALA 40 34 34 ALA ALA B . n +B 2 41 TRP 41 35 35 TRP TRP B . n +B 2 42 TYR 42 36 36 TYR TYR B . n +B 2 43 GLN 43 37 37 GLN GLN B . n +B 2 44 GLN 44 38 38 GLN GLN B . n +B 2 45 LYS 45 39 39 LYS LYS B . n +B 2 46 PRO 46 40 40 PRO PRO B . n +B 2 47 GLY 47 41 41 GLY GLY B . n +B 2 48 GLN 48 42 42 GLN GLN B . n +B 2 49 PRO 49 43 43 PRO PRO B . n +B 2 50 PRO 50 44 44 PRO PRO B . n +B 2 51 LYS 51 45 45 LYS LYS B . n +B 2 52 LEU 52 46 46 LEU LEU B . n +B 2 53 LEU 53 47 47 LEU LEU B . n +B 2 54 ILE 54 48 48 ILE ILE B . n +B 2 55 TYR 55 49 49 TYR TYR B . n +B 2 56 TRP 56 50 50 TRP TRP B . n +B 2 57 ALA 57 51 51 ALA ALA B . n +B 2 58 SER 58 52 52 SER SER B . n +B 2 59 THR 59 53 53 THR THR B . n +B 2 60 ARG 60 54 54 ARG ARG B . n +B 2 61 GLU 61 55 55 GLU GLU B . n +B 2 62 SER 62 56 56 SER SER B . n +B 2 63 GLY 63 57 57 GLY GLY B . n +B 2 64 VAL 64 58 58 VAL VAL B . n +B 2 65 PRO 65 59 59 PRO PRO B . n +B 2 66 ASP 66 60 60 ASP ASP B . n +B 2 67 ARG 67 61 61 ARG ARG B . n +B 2 68 PHE 68 62 62 PHE PHE B . n +B 2 69 SER 69 63 63 SER SER B . n +B 2 70 GLY 70 64 64 GLY GLY B . n +B 2 71 SER 71 65 65 SER SER B . n +B 2 72 GLY 72 66 66 GLY GLY B . n +B 2 73 SER 73 67 67 SER SER B . n +B 2 74 GLY 74 68 68 GLY GLY B . n +B 2 75 THR 75 69 69 THR THR B . n +B 2 76 ASP 76 70 70 ASP ASP B . n +B 2 77 PHE 77 71 71 PHE PHE B . n +B 2 78 THR 78 72 72 THR THR B . n +B 2 79 LEU 79 73 73 LEU LEU B . n +B 2 80 THR 80 74 74 THR THR B . n +B 2 81 ILE 81 75 75 ILE ILE B . n +B 2 82 SER 82 76 76 SER SER B . n +B 2 83 SER 83 77 77 SER SER B . n +B 2 84 LEU 84 78 78 LEU LEU B . n +B 2 85 GLN 85 79 79 GLN GLN B . n +B 2 86 ALA 86 80 80 ALA ALA B . n +B 2 87 GLU 87 81 81 GLU GLU B . n +B 2 88 ASP 88 82 82 ASP ASP B . n +B 2 89 VAL 89 83 83 VAL VAL B . n +B 2 90 ALA 90 84 84 ALA ALA B . n +B 2 91 VAL 91 85 85 VAL VAL B . n +B 2 92 TYR 92 86 86 TYR TYR B . n +B 2 93 TYR 93 87 87 TYR TYR B . n +B 2 94 CYS 94 88 88 CYS CYS B . n +B 2 95 GLN 95 89 89 GLN GLN B . n +B 2 96 GLN 96 90 90 GLN GLN B . n +B 2 97 ASN 97 91 91 ASN ASN B . n +B 2 98 LEU 98 92 92 LEU LEU B . n +B 2 99 ARG 99 93 93 ARG ARG B . n +B 2 100 PRO 100 94 94 PRO PRO B . n +B 2 101 PRO 101 95 95 PRO PRO B . n +B 2 102 GLU 102 96 96 GLU GLU B . n +B 2 103 THR 103 97 97 THR THR B . n +B 2 104 PHE 104 98 98 PHE PHE B . n +B 2 105 GLY 105 99 99 GLY GLY B . n +B 2 106 GLN 106 100 100 GLN GLN B . n +B 2 107 GLY 107 101 101 GLY GLY B . n +B 2 108 THR 108 102 102 THR THR B . n +B 2 109 LYS 109 103 103 LYS LYS B . n +B 2 110 VAL 110 104 104 VAL VAL B . n +B 2 111 GLU 111 105 105 GLU GLU B . n +B 2 112 ILE 112 106 106 ILE ILE B . n +B 2 113 LYS 113 107 107 LYS LYS B . n +B 2 114 ARG 114 108 108 ARG ARG B . n +B 2 115 THR 115 109 109 THR THR B . n +B 2 116 VAL 116 110 110 VAL VAL B . n +B 2 117 ALA 117 111 111 ALA ALA B . n +B 2 118 ALA 118 112 112 ALA ALA B . n +B 2 119 PRO 119 113 113 PRO PRO B . n +B 2 120 SER 120 114 114 SER SER B . n +B 2 121 VAL 121 115 115 VAL VAL B . n +B 2 122 PHE 122 116 116 PHE PHE B . n +B 2 123 ILE 123 117 117 ILE ILE B . n +B 2 124 PHE 124 118 118 PHE PHE B . n +B 2 125 PRO 125 119 119 PRO PRO B . n +B 2 126 PRO 126 120 120 PRO PRO B . n +B 2 127 SER 127 121 121 SER SER B . n +B 2 128 ASP 128 122 122 ASP ASP B . n +B 2 129 GLU 129 123 123 GLU GLU B . n +B 2 130 GLN 130 124 124 GLN GLN B . n +B 2 131 LEU 131 125 125 LEU LEU B . n +B 2 132 LYS 132 126 126 LYS LYS B . n +B 2 133 SER 133 127 127 SER SER B . n +B 2 134 GLY 134 128 128 GLY GLY B . n +B 2 135 THR 135 129 129 THR THR B . n +B 2 136 ALA 136 130 130 ALA ALA B . n +B 2 137 SER 137 131 131 SER SER B . n +B 2 138 VAL 138 132 132 VAL VAL B . n +B 2 139 VAL 139 133 133 VAL VAL B . n +B 2 140 CYS 140 134 134 CYS CYS B . n +B 2 141 LEU 141 135 135 LEU LEU B . n +B 2 142 LEU 142 136 136 LEU LEU B . n +B 2 143 ASN 143 137 137 ASN ASN B . n +B 2 144 ASN 144 138 138 ASN ASN B . n +B 2 145 PHE 145 139 139 PHE PHE B . n +B 2 146 TYR 146 140 140 TYR TYR B . n +B 2 147 PRO 147 141 141 PRO PRO B . n +B 2 148 ARG 148 142 142 ARG ARG B . n +B 2 149 GLU 149 143 143 GLU GLU B . n +B 2 150 ALA 150 144 144 ALA ALA B . n +B 2 151 LYS 151 145 145 LYS LYS B . n +B 2 152 VAL 152 146 146 VAL VAL B . n +B 2 153 GLN 153 147 147 GLN GLN B . n +B 2 154 TRP 154 148 148 TRP TRP B . n +B 2 155 LYS 155 149 149 LYS LYS B . n +B 2 156 VAL 156 150 150 VAL VAL B . n +B 2 157 ASP 157 151 151 ASP ASP B . n +B 2 158 ASN 158 152 152 ASN ASN B . n +B 2 159 ALA 159 153 153 ALA ALA B . n +B 2 160 LEU 160 154 154 LEU LEU B . n +B 2 161 GLN 161 155 155 GLN GLN B . n +B 2 162 SER 162 156 156 SER SER B . n +B 2 163 GLY 163 157 157 GLY GLY B . n +B 2 164 ASN 164 158 158 ASN ASN B . n +B 2 165 SER 165 159 159 SER SER B . n +B 2 166 GLN 166 160 160 GLN GLN B . n +B 2 167 GLU 167 161 161 GLU GLU B . n +B 2 168 SER 168 162 162 SER SER B . n +B 2 169 VAL 169 163 163 VAL VAL B . n +B 2 170 THR 170 164 164 THR THR B . n +B 2 171 GLU 171 165 165 GLU GLU B . n +B 2 172 GLN 172 166 166 GLN GLN B . n +B 2 173 ASP 173 167 167 ASP ASP B . n +B 2 174 SER 174 168 168 SER SER B . n +B 2 175 LYS 175 169 169 LYS LYS B . n +B 2 176 ASP 176 170 170 ASP ASP B . n +B 2 177 SER 177 171 171 SER SER B . n +B 2 178 THR 178 172 172 THR THR B . n +B 2 179 TYR 179 173 173 TYR TYR B . n +B 2 180 SER 180 174 174 SER SER B . n +B 2 181 LEU 181 175 175 LEU LEU B . n +B 2 182 SER 182 176 176 SER SER B . n +B 2 183 SER 183 177 177 SER SER B . n +B 2 184 THR 184 178 178 THR THR B . n +B 2 185 LEU 185 179 179 LEU LEU B . n +B 2 186 THR 186 180 180 THR THR B . n +B 2 187 LEU 187 181 181 LEU LEU B . n +B 2 188 SER 188 182 182 SER SER B . n +B 2 189 LYS 189 183 183 LYS LYS B . n +B 2 190 ALA 190 184 184 ALA ALA B . n +B 2 191 ASP 191 185 185 ASP ASP B . n +B 2 192 TYR 192 186 186 TYR TYR B . n +B 2 193 GLU 193 187 187 GLU GLU B . n +B 2 194 LYS 194 188 188 LYS LYS B . n +B 2 195 HIS 195 189 189 HIS HIS B . n +B 2 196 LYS 196 190 190 LYS LYS B . n +B 2 197 VAL 197 191 191 VAL VAL B . n +B 2 198 TYR 198 192 192 TYR TYR B . n +B 2 199 ALA 199 193 193 ALA ALA B . n +B 2 200 CYS 200 194 194 CYS CYS B . n +B 2 201 GLU 201 195 195 GLU GLU B . n +B 2 202 VAL 202 196 196 VAL VAL B . n +B 2 203 THR 203 197 197 THR THR B . n +B 2 204 HIS 204 198 198 HIS HIS B . n +B 2 205 GLN 205 199 199 GLN GLN B . n +B 2 206 GLY 206 200 200 GLY GLY B . n +B 2 207 LEU 207 201 201 LEU LEU B . n +B 2 208 SER 208 202 202 SER SER B . n +B 2 209 SER 209 203 203 SER SER B . n +B 2 210 PRO 210 204 204 PRO PRO B . n +B 2 211 VAL 211 205 205 VAL VAL B . n +B 2 212 THR 212 206 206 THR THR B . n +B 2 213 LYS 213 207 207 LYS LYS B . n +B 2 214 SER 214 208 208 SER SER B . n +B 2 215 PHE 215 209 209 PHE PHE B . n +B 2 216 ASN 216 210 210 ASN ASN B . n +B 2 217 ARG 217 211 211 ARG ARG B . n +B 2 218 GLY 218 212 212 GLY GLY B . n +B 2 219 GLU 219 213 213 GLU GLU B . n +B 2 220 CYS 220 214 ? ? ? B . n +C 3 1 ASN 1 1 1 ASN ASN C . n +C 3 2 LYS 2 2 2 LYS LYS C . n +C 3 3 ILE 3 3 3 ILE ILE C . n +C 3 4 LEU 4 4 4 LEU LEU C . n +C 3 5 VAL 5 5 5 VAL VAL C . n +C 3 6 LYS 6 6 6 LYS LYS C . n +C 3 7 GLN 7 7 7 GLN GLN C . n +C 3 8 SER 8 8 8 SER SER C . n +C 3 9 PRO 9 9 9 PRO PRO C . n +C 3 10 MET 10 10 10 MET MET C . n +C 3 11 LEU 11 11 11 LEU LEU C . n +C 3 12 VAL 12 12 12 VAL VAL C . n +C 3 13 ALA 13 13 13 ALA ALA C . n +C 3 14 TYR 14 14 14 TYR TYR C . n +C 3 15 ASP 15 15 15 ASP ASP C . n +C 3 16 ASN 16 16 16 ASN ASN C . n +C 3 17 ALA 17 17 17 ALA ALA C . n +C 3 18 VAL 18 18 18 VAL VAL C . n +C 3 19 ASN 19 19 19 ASN ASN C . n +C 3 20 LEU 20 20 20 LEU LEU C . n +C 3 21 SER 21 21 21 SER SER C . n +C 3 22 CYS 22 22 22 CYS CYS C . n +C 3 23 LYS 23 23 23 LYS LYS C . n +C 3 24 TYR 24 24 24 TYR TYR C . n +C 3 25 SER 25 25 25 SER SER C . n +C 3 26 TYR 26 26 26 TYR TYR C . n +C 3 27 ASN 27 27 27 ASN ASN C . n +C 3 28 LEU 28 28 28 LEU LEU C . n +C 3 29 PHE 29 29 29 PHE PHE C . n +C 3 30 SER 30 30 30 SER SER C . n +C 3 31 ARG 31 31 31 ARG ARG C . n +C 3 32 GLU 32 32 32 GLU GLU C . n +C 3 33 PHE 33 33 33 PHE PHE C . n +C 3 34 ARG 34 34 34 ARG ARG C . n +C 3 35 ALA 35 35 35 ALA ALA C . n +C 3 36 SER 36 36 36 SER SER C . n +C 3 37 LEU 37 37 37 LEU LEU C . n +C 3 38 HIS 38 38 38 HIS HIS C . n +C 3 39 LYS 39 39 39 LYS LYS C . n +C 3 40 GLY 40 40 40 GLY GLY C . n +C 3 41 LEU 41 41 41 LEU LEU C . n +C 3 42 ASP 42 42 42 ASP ASP C . n +C 3 43 SER 43 43 43 SER SER C . n +C 3 44 ALA 44 44 44 ALA ALA C . n +C 3 45 VAL 45 45 45 VAL VAL C . n +C 3 46 GLU 46 46 46 GLU GLU C . n +C 3 47 VAL 47 47 47 VAL VAL C . n +C 3 48 CYS 48 48 48 CYS CYS C . n +C 3 49 VAL 49 49 49 VAL VAL C . n +C 3 50 VAL 50 50 50 VAL VAL C . n +C 3 51 TYR 51 51 51 TYR TYR C . n +C 3 52 GLY 52 52 52 GLY GLY C . n +C 3 53 ASN 53 53 53 ASN ASN C . n +C 3 54 TYR 54 54 54 TYR TYR C . n +C 3 55 SER 55 55 55 SER SER C . n +C 3 56 GLN 56 56 56 GLN GLN C . n +C 3 57 GLN 57 57 57 GLN GLN C . n +C 3 58 LEU 58 58 58 LEU LEU C . n +C 3 59 GLN 59 59 59 GLN GLN C . n +C 3 60 VAL 60 60 60 VAL VAL C . n +C 3 61 TYR 61 61 61 TYR TYR C . n +C 3 62 SER 62 62 62 SER SER C . n +C 3 63 LYS 63 63 63 LYS LYS C . n +C 3 64 THR 64 64 64 THR THR C . n +C 3 65 GLY 65 65 65 GLY GLY C . n +C 3 66 PHE 66 66 66 PHE PHE C . n +C 3 67 ASN 67 67 67 ASN ASN C . n +C 3 68 CYS 68 68 68 CYS CYS C . n +C 3 69 ASP 69 69 69 ASP ASP C . n +C 3 70 GLY 70 70 70 GLY GLY C . n +C 3 71 LYS 71 71 71 LYS LYS C . n +C 3 72 LEU 72 72 72 LEU LEU C . n +C 3 73 GLY 73 73 73 GLY GLY C . n +C 3 74 ASN 74 74 74 ASN ASN C . n +C 3 75 GLU 75 75 75 GLU GLU C . n +C 3 76 SER 76 76 76 SER SER C . n +C 3 77 VAL 77 77 77 VAL VAL C . n +C 3 78 THR 78 78 78 THR THR C . n +C 3 79 PHE 79 79 79 PHE PHE C . n +C 3 80 TYR 80 80 80 TYR TYR C . n +C 3 81 LEU 81 81 81 LEU LEU C . n +C 3 82 GLN 82 82 82 GLN GLN C . n +C 3 83 ASN 83 83 83 ASN ASN C . n +C 3 84 LEU 84 84 84 LEU LEU C . n +C 3 85 TYR 85 85 85 TYR TYR C . n +C 3 86 VAL 86 86 86 VAL VAL C . n +C 3 87 ASN 87 87 87 ASN ASN C . n +C 3 88 GLN 88 88 88 GLN GLN C . n +C 3 89 THR 89 89 89 THR THR C . n +C 3 90 ASP 90 90 90 ASP ASP C . n +C 3 91 ILE 91 91 91 ILE ILE C . n +C 3 92 TYR 92 92 92 TYR TYR C . n +C 3 93 PHE 93 93 93 PHE PHE C . n +C 3 94 CYS 94 94 94 CYS CYS C . n +C 3 95 LYS 95 95 95 LYS LYS C . n +C 3 96 ILE 96 96 96 ILE ILE C . n +C 3 97 GLU 97 97 97 GLU GLU C . n +C 3 98 VAL 98 98 98 VAL VAL C . n +C 3 99 MET 99 99 99 MET MET C . n +C 3 100 TYR 100 100 100 TYR TYR C . n +C 3 101 PRO 101 101 101 PRO PRO C . n +C 3 102 PRO 102 102 102 PRO PRO C . n +C 3 103 PRO 103 103 103 PRO PRO C . n +C 3 104 TYR 104 104 104 TYR TYR C . n +C 3 105 LEU 105 105 105 LEU LEU C . n +C 3 106 ASP 106 106 106 ASP ASP C . n +C 3 107 ASN 107 107 107 ASN ASN C . n +C 3 108 GLU 108 108 108 GLU GLU C . n +C 3 109 LYS 109 109 109 LYS LYS C . n +C 3 110 SER 110 110 110 SER SER C . n +C 3 111 ASN 111 111 111 ASN ASN C . n +C 3 112 GLY 112 112 112 GLY GLY C . n +C 3 113 THR 113 113 113 THR THR C . n +C 3 114 ILE 114 114 114 ILE ILE C . n +C 3 115 ILE 115 115 115 ILE ILE C . n +C 3 116 HIS 116 116 116 HIS HIS C . n +C 3 117 VAL 117 117 117 VAL VAL C . n +C 3 118 LYS 118 118 118 LYS LYS C . n +C 3 119 GLY 119 119 ? ? ? C . n +C 3 120 LYS 120 120 ? ? ? C . n +C 3 121 HIS 121 121 ? ? ? C . n +C 3 122 LEU 122 122 ? ? ? C . n +C 3 123 CYS 123 123 ? ? ? C . n +C 3 124 PRO 124 124 ? ? ? C . n +C 3 125 SER 125 125 ? ? ? C . n +C 3 126 PRO 126 126 ? ? ? C . n +C 3 127 LEU 127 127 ? ? ? C . n +C 3 128 PHE 128 128 ? ? ? C . n +C 3 129 PRO 129 129 ? ? ? C . n +C 3 130 GLY 130 130 ? ? ? C . n +C 3 131 PRO 131 131 ? ? ? C . n +C 3 132 SER 132 132 ? ? ? C . n +C 3 133 LYS 133 133 ? ? ? C . n +C 3 134 PRO 134 134 ? ? ? C . n +D 1 1 GLU 1 1 1 GLU GLU D . n +D 1 2 VAL 2 2 2 VAL VAL D . n +D 1 3 GLN 3 3 3 GLN GLN D . n +D 1 4 LEU 4 4 4 LEU LEU D . n +D 1 5 LEU 5 5 5 LEU LEU D . n +D 1 6 GLU 6 6 6 GLU GLU D . n +D 1 7 SER 7 7 7 SER SER D . n +D 1 8 GLY 8 8 8 GLY GLY D . n +D 1 9 GLY 9 9 9 GLY GLY D . n +D 1 10 GLY 10 10 10 GLY GLY D . n +D 1 11 LEU 11 11 11 LEU LEU D . n +D 1 12 VAL 12 12 12 VAL VAL D . n +D 1 13 GLN 13 13 13 GLN GLN D . n +D 1 14 PRO 14 14 14 PRO PRO D . n +D 1 15 GLY 15 15 15 GLY GLY D . n +D 1 16 GLY 16 16 16 GLY GLY D . n +D 1 17 SER 17 17 17 SER SER D . n +D 1 18 LEU 18 18 18 LEU LEU D . n +D 1 19 ARG 19 19 19 ARG ARG D . n +D 1 20 LEU 20 20 20 LEU LEU D . n +D 1 21 SER 21 21 21 SER SER D . n +D 1 22 CYS 22 22 22 CYS CYS D . n +D 1 23 ALA 23 23 23 ALA ALA D . n +D 1 24 ALA 24 24 24 ALA ALA D . n +D 1 25 SER 25 25 25 SER SER D . n +D 1 26 GLY 26 26 26 GLY GLY D . n +D 1 27 PHE 27 27 27 PHE PHE D . n +D 1 28 THR 28 28 28 THR THR D . n +D 1 29 PHE 29 29 29 PHE PHE D . n +D 1 30 SER 30 30 30 SER SER D . n +D 1 31 SER 31 31 31 SER SER D . n +D 1 32 TYR 32 32 32 TYR TYR D . n +D 1 33 ALA 33 33 33 ALA ALA D . n +D 1 34 MET 34 34 34 MET MET D . n +D 1 35 SER 35 35 35 SER SER D . n +D 1 36 TRP 36 36 36 TRP TRP D . n +D 1 37 VAL 37 37 37 VAL VAL D . n +D 1 38 ARG 38 38 38 ARG ARG D . n +D 1 39 GLN 39 39 39 GLN GLN D . n +D 1 40 ALA 40 40 40 ALA ALA D . n +D 1 41 PRO 41 41 41 PRO PRO D . n +D 1 42 GLY 42 42 42 GLY GLY D . n +D 1 43 LYS 43 43 43 LYS LYS D . n +D 1 44 GLY 44 44 44 GLY GLY D . n +D 1 45 LEU 45 45 45 LEU LEU D . n +D 1 46 GLU 46 46 46 GLU GLU D . n +D 1 47 TRP 47 47 47 TRP TRP D . n +D 1 48 VAL 48 48 48 VAL VAL D . n +D 1 49 SER 49 49 49 SER SER D . n +D 1 50 ALA 50 50 50 ALA ALA D . n +D 1 51 ILE 51 51 51 ILE ILE D . n +D 1 52 SER 52 52 52 SER SER D . n +D 1 53 GLY 53 52 52 GLY GLY D A n +D 1 54 SER 54 53 53 SER SER D . n +D 1 55 GLY 55 54 54 GLY GLY D . n +D 1 56 GLY 56 55 55 GLY GLY D . n +D 1 57 SER 57 56 56 SER SER D . n +D 1 58 THR 58 57 57 THR THR D . n +D 1 59 TYR 59 58 58 TYR TYR D . n +D 1 60 TYR 60 59 59 TYR TYR D . n +D 1 61 ALA 61 60 60 ALA ALA D . n +D 1 62 ASP 62 61 61 ASP ASP D . n +D 1 63 SER 63 62 62 SER SER D . n +D 1 64 VAL 64 63 63 VAL VAL D . n +D 1 65 LYS 65 64 64 LYS LYS D . n +D 1 66 GLY 66 65 65 GLY GLY D . n +D 1 67 ARG 67 66 66 ARG ARG D . n +D 1 68 PHE 68 67 67 PHE PHE D . n +D 1 69 THR 69 68 68 THR THR D . n +D 1 70 ILE 70 69 69 ILE ILE D . n +D 1 71 SER 71 70 70 SER SER D . n +D 1 72 ARG 72 71 71 ARG ARG D . n +D 1 73 ASP 73 72 72 ASP ASP D . n +D 1 74 ASN 74 73 73 ASN ASN D . n +D 1 75 SER 75 74 74 SER SER D . n +D 1 76 LYS 76 75 75 LYS LYS D . n +D 1 77 ASN 77 76 76 ASN ASN D . n +D 1 78 THR 78 77 77 THR THR D . n +D 1 79 LEU 79 78 78 LEU LEU D . n +D 1 80 TYR 80 79 79 TYR TYR D . n +D 1 81 LEU 81 80 80 LEU LEU D . n +D 1 82 GLN 82 81 81 GLN GLN D . n +D 1 83 MET 83 82 82 MET MET D . n +D 1 84 ASN 84 82 82 ASN ASN D A n +D 1 85 SER 85 82 82 SER SER D B n +D 1 86 LEU 86 82 82 LEU LEU D C n +D 1 87 ARG 87 83 83 ARG ARG D . n +D 1 88 ALA 88 84 84 ALA ALA D . n +D 1 89 GLU 89 85 85 GLU GLU D . n +D 1 90 ASP 90 86 86 ASP ASP D . n +D 1 91 THR 91 87 87 THR THR D . n +D 1 92 ALA 92 88 88 ALA ALA D . n +D 1 93 VAL 93 89 89 VAL VAL D . n +D 1 94 TYR 94 90 90 TYR TYR D . n +D 1 95 TYR 95 91 91 TYR TYR D . n +D 1 96 CYS 96 92 92 CYS CYS D . n +D 1 97 ALA 97 93 93 ALA ALA D . n +D 1 98 LYS 98 94 94 LYS LYS D . n +D 1 99 SER 99 95 95 SER SER D . n +D 1 100 TYR 100 96 96 TYR TYR D . n +D 1 101 GLY 101 97 97 GLY GLY D . n +D 1 102 ALA 102 98 98 ALA ALA D . n +D 1 103 PHE 103 99 99 PHE PHE D . n +D 1 104 ASP 104 100 100 ASP ASP D . n +D 1 105 TYR 105 101 101 TYR TYR D . n +D 1 106 TRP 106 102 102 TRP TRP D . n +D 1 107 GLY 107 103 103 GLY GLY D . n +D 1 108 GLN 108 104 104 GLN GLN D . n +D 1 109 GLY 109 105 105 GLY GLY D . n +D 1 110 THR 110 106 106 THR THR D . n +D 1 111 LEU 111 107 107 LEU LEU D . n +D 1 112 VAL 112 108 108 VAL VAL D . n +D 1 113 THR 113 109 109 THR THR D . n +D 1 114 VAL 114 110 110 VAL VAL D . n +D 1 115 SER 115 111 111 SER SER D . n +D 1 116 SER 116 112 112 SER SER D . n +D 1 117 ALA 117 113 113 ALA ALA D . n +D 1 118 SER 118 114 114 SER SER D . n +D 1 119 THR 119 115 115 THR THR D . n +D 1 120 LYS 120 116 116 LYS LYS D . n +D 1 121 GLY 121 117 117 GLY GLY D . n +D 1 122 PRO 122 118 118 PRO PRO D . n +D 1 123 SER 123 119 119 SER SER D . n +D 1 124 VAL 124 120 120 VAL VAL D . n +D 1 125 PHE 125 121 121 PHE PHE D . n +D 1 126 PRO 126 122 122 PRO PRO D . n +D 1 127 LEU 127 123 123 LEU LEU D . n +D 1 128 ALA 128 124 124 ALA ALA D . n +D 1 129 PRO 129 125 125 PRO PRO D . n +D 1 130 SER 130 126 126 SER SER D . n +D 1 131 SER 131 127 127 SER SER D . n +D 1 132 LYS 132 128 128 LYS LYS D . n +D 1 133 SER 133 129 129 SER SER D . n +D 1 134 THR 134 130 130 THR THR D . n +D 1 135 SER 135 131 131 SER SER D . n +D 1 136 GLY 136 132 132 GLY GLY D . n +D 1 137 GLY 137 133 133 GLY GLY D . n +D 1 138 THR 138 134 134 THR THR D . n +D 1 139 ALA 139 135 135 ALA ALA D . n +D 1 140 ALA 140 136 136 ALA ALA D . n +D 1 141 LEU 141 137 137 LEU LEU D . n +D 1 142 GLY 142 138 138 GLY GLY D . n +D 1 143 CYS 143 139 139 CYS CYS D . n +D 1 144 LEU 144 140 140 LEU LEU D . n +D 1 145 VAL 145 141 141 VAL VAL D . n +D 1 146 LYS 146 142 142 LYS LYS D . n +D 1 147 ASP 147 143 143 ASP ASP D . n +D 1 148 TYR 148 144 144 TYR TYR D . n +D 1 149 PHE 149 145 145 PHE PHE D . n +D 1 150 PRO 150 146 146 PRO PRO D . n +D 1 151 GLU 151 147 147 GLU GLU D . n +D 1 152 PRO 152 148 148 PRO PRO D . n +D 1 153 VAL 153 149 149 VAL VAL D . n +D 1 154 THR 154 150 150 THR THR D . n +D 1 155 VAL 155 151 151 VAL VAL D . n +D 1 156 SER 156 152 152 SER SER D . n +D 1 157 TRP 157 153 153 TRP TRP D . n +D 1 158 ASN 158 154 154 ASN ASN D . n +D 1 159 SER 159 155 155 SER SER D . n +D 1 160 GLY 160 156 156 GLY GLY D . n +D 1 161 ALA 161 157 157 ALA ALA D . n +D 1 162 LEU 162 158 158 LEU LEU D . n +D 1 163 THR 163 159 159 THR THR D . n +D 1 164 SER 164 160 160 SER SER D . n +D 1 165 GLY 165 161 161 GLY GLY D . n +D 1 166 VAL 166 162 162 VAL VAL D . n +D 1 167 HIS 167 163 163 HIS HIS D . n +D 1 168 THR 168 164 164 THR THR D . n +D 1 169 PHE 169 165 165 PHE PHE D . n +D 1 170 PRO 170 166 166 PRO PRO D . n +D 1 171 ALA 171 167 167 ALA ALA D . n +D 1 172 VAL 172 168 168 VAL VAL D . n +D 1 173 LEU 173 169 169 LEU LEU D . n +D 1 174 GLN 174 170 170 GLN GLN D . n +D 1 175 SER 175 171 171 SER SER D . n +D 1 176 SER 176 172 172 SER SER D . n +D 1 177 GLY 177 173 173 GLY GLY D . n +D 1 178 LEU 178 174 174 LEU LEU D . n +D 1 179 TYR 179 175 175 TYR TYR D . n +D 1 180 SER 180 176 176 SER SER D . n +D 1 181 LEU 181 177 177 LEU LEU D . n +D 1 182 SER 182 178 178 SER SER D . n +D 1 183 SER 183 179 179 SER SER D . n +D 1 184 VAL 184 180 180 VAL VAL D . n +D 1 185 VAL 185 181 181 VAL VAL D . n +D 1 186 THR 186 182 182 THR THR D . n +D 1 187 VAL 187 183 183 VAL VAL D . n +D 1 188 PRO 188 184 184 PRO PRO D . n +D 1 189 SER 189 185 185 SER SER D . n +D 1 190 SER 190 186 186 SER SER D . n +D 1 191 SER 191 187 187 SER SER D . n +D 1 192 LEU 192 188 188 LEU LEU D . n +D 1 193 GLY 193 189 189 GLY GLY D . n +D 1 194 THR 194 190 190 THR THR D . n +D 1 195 GLN 195 191 191 GLN GLN D . n +D 1 196 THR 196 192 192 THR THR D . n +D 1 197 TYR 197 193 193 TYR TYR D . n +D 1 198 ILE 198 194 194 ILE ILE D . n +D 1 199 CYS 199 195 195 CYS CYS D . n +D 1 200 ASN 200 196 196 ASN ASN D . n +D 1 201 VAL 201 197 197 VAL VAL D . n +D 1 202 ASN 202 198 198 ASN ASN D . n +D 1 203 HIS 203 199 199 HIS HIS D . n +D 1 204 LYS 204 200 200 LYS LYS D . n +D 1 205 PRO 205 201 201 PRO PRO D . n +D 1 206 SER 206 202 202 SER SER D . n +D 1 207 ASN 207 203 203 ASN ASN D . n +D 1 208 THR 208 204 204 THR THR D . n +D 1 209 LYS 209 205 205 LYS LYS D . n +D 1 210 VAL 210 206 206 VAL VAL D . n +D 1 211 ASP 211 207 207 ASP ASP D . n +D 1 212 LYS 212 208 208 LYS LYS D . n +D 1 213 ARG 213 209 209 ARG ARG D . n +D 1 214 VAL 214 210 210 VAL VAL D . n +D 1 215 GLU 215 211 211 GLU GLU D . n +D 1 216 PRO 216 212 212 PRO PRO D . n +D 1 217 LYS 217 213 213 LYS LYS D . n +D 1 218 SER 218 214 214 SER SER D . n +D 1 219 CYS 219 215 ? ? ? D . n +D 1 220 ASP 220 216 ? ? ? D . n +D 1 221 LYS 221 217 ? ? ? D . n +D 1 222 THR 222 218 ? ? ? D . n +D 1 223 HIS 223 219 ? ? ? D . n +E 2 1 ASP 1 1 1 ASP ASP E . n +E 2 2 ILE 2 2 2 ILE ILE E . n +E 2 3 VAL 3 3 3 VAL VAL E . n +E 2 4 MET 4 4 4 MET MET E . n +E 2 5 THR 5 5 5 THR THR E . n +E 2 6 GLN 6 6 6 GLN GLN E . n +E 2 7 SER 7 7 7 SER SER E . n +E 2 8 PRO 8 8 8 PRO PRO E . n +E 2 9 ASP 9 9 9 ASP ASP E . n +E 2 10 SER 10 10 10 SER SER E . n +E 2 11 LEU 11 11 11 LEU LEU E . n +E 2 12 ALA 12 12 12 ALA ALA E . n +E 2 13 VAL 13 13 13 VAL VAL E . n +E 2 14 SER 14 14 14 SER SER E . n +E 2 15 LEU 15 15 15 LEU LEU E . n +E 2 16 GLY 16 16 16 GLY GLY E . n +E 2 17 GLU 17 17 17 GLU GLU E . n +E 2 18 ARG 18 18 18 ARG ARG E . n +E 2 19 ALA 19 19 19 ALA ALA E . n +E 2 20 THR 20 20 20 THR THR E . n +E 2 21 ILE 21 21 21 ILE ILE E . n +E 2 22 ASN 22 22 22 ASN ASN E . n +E 2 23 CYS 23 23 23 CYS CYS E . n +E 2 24 LYS 24 24 24 LYS LYS E . n +E 2 25 SER 25 25 25 SER SER E . n +E 2 26 SER 26 26 26 SER SER E . n +E 2 27 GLN 27 27 27 GLN GLN E . n +E 2 28 SER 28 27 27 SER SER E A n +E 2 29 VAL 29 27 27 VAL VAL E B n +E 2 30 LEU 30 27 27 LEU LEU E C n +E 2 31 TYR 31 27 27 TYR TYR E D n +E 2 32 SER 32 27 27 SER SER E E n +E 2 33 SER 33 27 27 SER SER E F n +E 2 34 ASN 34 28 28 ASN ASN E . n +E 2 35 ASN 35 29 29 ASN ASN E . n +E 2 36 LYS 36 30 30 LYS LYS E . n +E 2 37 ASN 37 31 31 ASN ASN E . n +E 2 38 TYR 38 32 32 TYR TYR E . n +E 2 39 LEU 39 33 33 LEU LEU E . n +E 2 40 ALA 40 34 34 ALA ALA E . n +E 2 41 TRP 41 35 35 TRP TRP E . n +E 2 42 TYR 42 36 36 TYR TYR E . n +E 2 43 GLN 43 37 37 GLN GLN E . n +E 2 44 GLN 44 38 38 GLN GLN E . n +E 2 45 LYS 45 39 39 LYS LYS E . n +E 2 46 PRO 46 40 40 PRO PRO E . n +E 2 47 GLY 47 41 41 GLY GLY E . n +E 2 48 GLN 48 42 42 GLN GLN E . n +E 2 49 PRO 49 43 43 PRO PRO E . n +E 2 50 PRO 50 44 44 PRO PRO E . n +E 2 51 LYS 51 45 45 LYS LYS E . n +E 2 52 LEU 52 46 46 LEU LEU E . n +E 2 53 LEU 53 47 47 LEU LEU E . n +E 2 54 ILE 54 48 48 ILE ILE E . n +E 2 55 TYR 55 49 49 TYR TYR E . n +E 2 56 TRP 56 50 50 TRP TRP E . n +E 2 57 ALA 57 51 51 ALA ALA E . n +E 2 58 SER 58 52 52 SER SER E . n +E 2 59 THR 59 53 53 THR THR E . n +E 2 60 ARG 60 54 54 ARG ARG E . n +E 2 61 GLU 61 55 55 GLU GLU E . n +E 2 62 SER 62 56 56 SER SER E . n +E 2 63 GLY 63 57 57 GLY GLY E . n +E 2 64 VAL 64 58 58 VAL VAL E . n +E 2 65 PRO 65 59 59 PRO PRO E . n +E 2 66 ASP 66 60 60 ASP ASP E . n +E 2 67 ARG 67 61 61 ARG ARG E . n +E 2 68 PHE 68 62 62 PHE PHE E . n +E 2 69 SER 69 63 63 SER SER E . n +E 2 70 GLY 70 64 64 GLY GLY E . n +E 2 71 SER 71 65 65 SER SER E . n +E 2 72 GLY 72 66 66 GLY GLY E . n +E 2 73 SER 73 67 67 SER SER E . n +E 2 74 GLY 74 68 68 GLY GLY E . n +E 2 75 THR 75 69 69 THR THR E . n +E 2 76 ASP 76 70 70 ASP ASP E . n +E 2 77 PHE 77 71 71 PHE PHE E . n +E 2 78 THR 78 72 72 THR THR E . n +E 2 79 LEU 79 73 73 LEU LEU E . n +E 2 80 THR 80 74 74 THR THR E . n +E 2 81 ILE 81 75 75 ILE ILE E . n +E 2 82 SER 82 76 76 SER SER E . n +E 2 83 SER 83 77 77 SER SER E . n +E 2 84 LEU 84 78 78 LEU LEU E . n +E 2 85 GLN 85 79 79 GLN GLN E . n +E 2 86 ALA 86 80 80 ALA ALA E . n +E 2 87 GLU 87 81 81 GLU GLU E . n +E 2 88 ASP 88 82 82 ASP ASP E . n +E 2 89 VAL 89 83 83 VAL VAL E . n +E 2 90 ALA 90 84 84 ALA ALA E . n +E 2 91 VAL 91 85 85 VAL VAL E . n +E 2 92 TYR 92 86 86 TYR TYR E . n +E 2 93 TYR 93 87 87 TYR TYR E . n +E 2 94 CYS 94 88 88 CYS CYS E . n +E 2 95 GLN 95 89 89 GLN GLN E . n +E 2 96 GLN 96 90 90 GLN GLN E . n +E 2 97 ASN 97 91 91 ASN ASN E . n +E 2 98 LEU 98 92 92 LEU LEU E . n +E 2 99 ARG 99 93 93 ARG ARG E . n +E 2 100 PRO 100 94 94 PRO PRO E . n +E 2 101 PRO 101 95 95 PRO PRO E . n +E 2 102 GLU 102 96 96 GLU GLU E . n +E 2 103 THR 103 97 97 THR THR E . n +E 2 104 PHE 104 98 98 PHE PHE E . n +E 2 105 GLY 105 99 99 GLY GLY E . n +E 2 106 GLN 106 100 100 GLN GLN E . n +E 2 107 GLY 107 101 101 GLY GLY E . n +E 2 108 THR 108 102 102 THR THR E . n +E 2 109 LYS 109 103 103 LYS LYS E . n +E 2 110 VAL 110 104 104 VAL VAL E . n +E 2 111 GLU 111 105 105 GLU GLU E . n +E 2 112 ILE 112 106 106 ILE ILE E . n +E 2 113 LYS 113 107 107 LYS LYS E . n +E 2 114 ARG 114 108 108 ARG ARG E . n +E 2 115 THR 115 109 109 THR THR E . n +E 2 116 VAL 116 110 110 VAL VAL E . n +E 2 117 ALA 117 111 111 ALA ALA E . n +E 2 118 ALA 118 112 112 ALA ALA E . n +E 2 119 PRO 119 113 113 PRO PRO E . n +E 2 120 SER 120 114 114 SER SER E . n +E 2 121 VAL 121 115 115 VAL VAL E . n +E 2 122 PHE 122 116 116 PHE PHE E . n +E 2 123 ILE 123 117 117 ILE ILE E . n +E 2 124 PHE 124 118 118 PHE PHE E . n +E 2 125 PRO 125 119 119 PRO PRO E . n +E 2 126 PRO 126 120 120 PRO PRO E . n +E 2 127 SER 127 121 121 SER SER E . n +E 2 128 ASP 128 122 122 ASP ASP E . n +E 2 129 GLU 129 123 123 GLU GLU E . n +E 2 130 GLN 130 124 124 GLN GLN E . n +E 2 131 LEU 131 125 125 LEU LEU E . n +E 2 132 LYS 132 126 126 LYS LYS E . n +E 2 133 SER 133 127 127 SER SER E . n +E 2 134 GLY 134 128 128 GLY GLY E . n +E 2 135 THR 135 129 129 THR THR E . n +E 2 136 ALA 136 130 130 ALA ALA E . n +E 2 137 SER 137 131 131 SER SER E . n +E 2 138 VAL 138 132 132 VAL VAL E . n +E 2 139 VAL 139 133 133 VAL VAL E . n +E 2 140 CYS 140 134 134 CYS CYS E . n +E 2 141 LEU 141 135 135 LEU LEU E . n +E 2 142 LEU 142 136 136 LEU LEU E . n +E 2 143 ASN 143 137 137 ASN ASN E . n +E 2 144 ASN 144 138 138 ASN ASN E . n +E 2 145 PHE 145 139 139 PHE PHE E . n +E 2 146 TYR 146 140 140 TYR TYR E . n +E 2 147 PRO 147 141 141 PRO PRO E . n +E 2 148 ARG 148 142 142 ARG ARG E . n +E 2 149 GLU 149 143 143 GLU GLU E . n +E 2 150 ALA 150 144 144 ALA ALA E . n +E 2 151 LYS 151 145 145 LYS LYS E . n +E 2 152 VAL 152 146 146 VAL VAL E . n +E 2 153 GLN 153 147 147 GLN GLN E . n +E 2 154 TRP 154 148 148 TRP TRP E . n +E 2 155 LYS 155 149 149 LYS LYS E . n +E 2 156 VAL 156 150 150 VAL VAL E . n +E 2 157 ASP 157 151 151 ASP ASP E . n +E 2 158 ASN 158 152 152 ASN ASN E . n +E 2 159 ALA 159 153 153 ALA ALA E . n +E 2 160 LEU 160 154 154 LEU LEU E . n +E 2 161 GLN 161 155 155 GLN GLN E . n +E 2 162 SER 162 156 156 SER SER E . n +E 2 163 GLY 163 157 157 GLY GLY E . n +E 2 164 ASN 164 158 158 ASN ASN E . n +E 2 165 SER 165 159 159 SER SER E . n +E 2 166 GLN 166 160 160 GLN GLN E . n +E 2 167 GLU 167 161 161 GLU GLU E . n +E 2 168 SER 168 162 162 SER SER E . n +E 2 169 VAL 169 163 163 VAL VAL E . n +E 2 170 THR 170 164 164 THR THR E . n +E 2 171 GLU 171 165 165 GLU GLU E . n +E 2 172 GLN 172 166 166 GLN GLN E . n +E 2 173 ASP 173 167 167 ASP ASP E . n +E 2 174 SER 174 168 168 SER SER E . n +E 2 175 LYS 175 169 169 LYS LYS E . n +E 2 176 ASP 176 170 170 ASP ASP E . n +E 2 177 SER 177 171 171 SER SER E . n +E 2 178 THR 178 172 172 THR THR E . n +E 2 179 TYR 179 173 173 TYR TYR E . n +E 2 180 SER 180 174 174 SER SER E . n +E 2 181 LEU 181 175 175 LEU LEU E . n +E 2 182 SER 182 176 176 SER SER E . n +E 2 183 SER 183 177 177 SER SER E . n +E 2 184 THR 184 178 178 THR THR E . n +E 2 185 LEU 185 179 179 LEU LEU E . n +E 2 186 THR 186 180 180 THR THR E . n +E 2 187 LEU 187 181 181 LEU LEU E . n +E 2 188 SER 188 182 182 SER SER E . n +E 2 189 LYS 189 183 183 LYS LYS E . n +E 2 190 ALA 190 184 184 ALA ALA E . n +E 2 191 ASP 191 185 185 ASP ASP E . n +E 2 192 TYR 192 186 186 TYR TYR E . n +E 2 193 GLU 193 187 187 GLU GLU E . n +E 2 194 LYS 194 188 188 LYS LYS E . n +E 2 195 HIS 195 189 189 HIS HIS E . n +E 2 196 LYS 196 190 190 LYS LYS E . n +E 2 197 VAL 197 191 191 VAL VAL E . n +E 2 198 TYR 198 192 192 TYR TYR E . n +E 2 199 ALA 199 193 193 ALA ALA E . n +E 2 200 CYS 200 194 194 CYS CYS E . n +E 2 201 GLU 201 195 195 GLU GLU E . n +E 2 202 VAL 202 196 196 VAL VAL E . n +E 2 203 THR 203 197 197 THR THR E . n +E 2 204 HIS 204 198 198 HIS HIS E . n +E 2 205 GLN 205 199 199 GLN GLN E . n +E 2 206 GLY 206 200 200 GLY GLY E . n +E 2 207 LEU 207 201 201 LEU LEU E . n +E 2 208 SER 208 202 202 SER SER E . n +E 2 209 SER 209 203 203 SER SER E . n +E 2 210 PRO 210 204 204 PRO PRO E . n +E 2 211 VAL 211 205 205 VAL VAL E . n +E 2 212 THR 212 206 206 THR THR E . n +E 2 213 LYS 213 207 207 LYS LYS E . n +E 2 214 SER 214 208 208 SER SER E . n +E 2 215 PHE 215 209 209 PHE PHE E . n +E 2 216 ASN 216 210 210 ASN ASN E . n +E 2 217 ARG 217 211 211 ARG ARG E . n +E 2 218 GLY 218 212 212 GLY GLY E . n +E 2 219 GLU 219 213 213 GLU GLU E . n +E 2 220 CYS 220 214 214 CYS CYS E . n +F 3 1 ASN 1 1 1 ASN ASN F . n +F 3 2 LYS 2 2 2 LYS LYS F . n +F 3 3 ILE 3 3 3 ILE ILE F . n +F 3 4 LEU 4 4 4 LEU LEU F . n +F 3 5 VAL 5 5 5 VAL VAL F . n +F 3 6 LYS 6 6 6 LYS LYS F . n +F 3 7 GLN 7 7 7 GLN GLN F . n +F 3 8 SER 8 8 8 SER SER F . n +F 3 9 PRO 9 9 9 PRO PRO F . n +F 3 10 MET 10 10 10 MET MET F . n +F 3 11 LEU 11 11 11 LEU LEU F . n +F 3 12 VAL 12 12 12 VAL VAL F . n +F 3 13 ALA 13 13 13 ALA ALA F . n +F 3 14 TYR 14 14 14 TYR TYR F . n +F 3 15 ASP 15 15 15 ASP ASP F . n +F 3 16 ASN 16 16 16 ASN ASN F . n +F 3 17 ALA 17 17 17 ALA ALA F . n +F 3 18 VAL 18 18 18 VAL VAL F . n +F 3 19 ASN 19 19 19 ASN ASN F . n +F 3 20 LEU 20 20 20 LEU LEU F . n +F 3 21 SER 21 21 21 SER SER F . n +F 3 22 CYS 22 22 22 CYS CYS F . n +F 3 23 LYS 23 23 23 LYS LYS F . n +F 3 24 TYR 24 24 24 TYR TYR F . n +F 3 25 SER 25 25 25 SER SER F . n +F 3 26 TYR 26 26 26 TYR TYR F . n +F 3 27 ASN 27 27 27 ASN ASN F . n +F 3 28 LEU 28 28 28 LEU LEU F . n +F 3 29 PHE 29 29 29 PHE PHE F . n +F 3 30 SER 30 30 30 SER SER F . n +F 3 31 ARG 31 31 31 ARG ARG F . n +F 3 32 GLU 32 32 32 GLU GLU F . n +F 3 33 PHE 33 33 33 PHE PHE F . n +F 3 34 ARG 34 34 34 ARG ARG F . n +F 3 35 ALA 35 35 35 ALA ALA F . n +F 3 36 SER 36 36 36 SER SER F . n +F 3 37 LEU 37 37 37 LEU LEU F . n +F 3 38 HIS 38 38 38 HIS HIS F . n +F 3 39 LYS 39 39 39 LYS LYS F . n +F 3 40 GLY 40 40 40 GLY GLY F . n +F 3 41 LEU 41 41 41 LEU LEU F . n +F 3 42 ASP 42 42 42 ASP ASP F . n +F 3 43 SER 43 43 43 SER SER F . n +F 3 44 ALA 44 44 44 ALA ALA F . n +F 3 45 VAL 45 45 45 VAL VAL F . n +F 3 46 GLU 46 46 46 GLU GLU F . n +F 3 47 VAL 47 47 47 VAL VAL F . n +F 3 48 CYS 48 48 48 CYS CYS F . n +F 3 49 VAL 49 49 49 VAL VAL F . n +F 3 50 VAL 50 50 50 VAL VAL F . n +F 3 51 TYR 51 51 51 TYR TYR F . n +F 3 52 GLY 52 52 52 GLY GLY F . n +F 3 53 ASN 53 53 53 ASN ASN F . n +F 3 54 TYR 54 54 54 TYR TYR F . n +F 3 55 SER 55 55 55 SER SER F . n +F 3 56 GLN 56 56 56 GLN GLN F . n +F 3 57 GLN 57 57 57 GLN GLN F . n +F 3 58 LEU 58 58 58 LEU LEU F . n +F 3 59 GLN 59 59 59 GLN GLN F . n +F 3 60 VAL 60 60 60 VAL VAL F . n +F 3 61 TYR 61 61 61 TYR TYR F . n +F 3 62 SER 62 62 62 SER SER F . n +F 3 63 LYS 63 63 63 LYS LYS F . n +F 3 64 THR 64 64 64 THR THR F . n +F 3 65 GLY 65 65 65 GLY GLY F . n +F 3 66 PHE 66 66 66 PHE PHE F . n +F 3 67 ASN 67 67 67 ASN ASN F . n +F 3 68 CYS 68 68 68 CYS CYS F . n +F 3 69 ASP 69 69 69 ASP ASP F . n +F 3 70 GLY 70 70 70 GLY GLY F . n +F 3 71 LYS 71 71 71 LYS LYS F . n +F 3 72 LEU 72 72 72 LEU LEU F . n +F 3 73 GLY 73 73 73 GLY GLY F . n +F 3 74 ASN 74 74 74 ASN ASN F . n +F 3 75 GLU 75 75 75 GLU GLU F . n +F 3 76 SER 76 76 76 SER SER F . n +F 3 77 VAL 77 77 77 VAL VAL F . n +F 3 78 THR 78 78 78 THR THR F . n +F 3 79 PHE 79 79 79 PHE PHE F . n +F 3 80 TYR 80 80 80 TYR TYR F . n +F 3 81 LEU 81 81 81 LEU LEU F . n +F 3 82 GLN 82 82 82 GLN GLN F . n +F 3 83 ASN 83 83 83 ASN ASN F . n +F 3 84 LEU 84 84 84 LEU LEU F . n +F 3 85 TYR 85 85 85 TYR TYR F . n +F 3 86 VAL 86 86 86 VAL VAL F . n +F 3 87 ASN 87 87 87 ASN ASN F . n +F 3 88 GLN 88 88 88 GLN GLN F . n +F 3 89 THR 89 89 89 THR THR F . n +F 3 90 ASP 90 90 90 ASP ASP F . n +F 3 91 ILE 91 91 91 ILE ILE F . n +F 3 92 TYR 92 92 92 TYR TYR F . n +F 3 93 PHE 93 93 93 PHE PHE F . n +F 3 94 CYS 94 94 94 CYS CYS F . n +F 3 95 LYS 95 95 95 LYS LYS F . n +F 3 96 ILE 96 96 96 ILE ILE F . n +F 3 97 GLU 97 97 97 GLU GLU F . n +F 3 98 VAL 98 98 98 VAL VAL F . n +F 3 99 MET 99 99 99 MET MET F . n +F 3 100 TYR 100 100 100 TYR TYR F . n +F 3 101 PRO 101 101 101 PRO PRO F . n +F 3 102 PRO 102 102 102 PRO PRO F . n +F 3 103 PRO 103 103 103 PRO PRO F . n +F 3 104 TYR 104 104 104 TYR TYR F . n +F 3 105 LEU 105 105 105 LEU LEU F . n +F 3 106 ASP 106 106 106 ASP ASP F . n +F 3 107 ASN 107 107 107 ASN ASN F . n +F 3 108 GLU 108 108 108 GLU GLU F . n +F 3 109 LYS 109 109 109 LYS LYS F . n +F 3 110 SER 110 110 110 SER SER F . n +F 3 111 ASN 111 111 111 ASN ASN F . n +F 3 112 GLY 112 112 112 GLY GLY F . n +F 3 113 THR 113 113 113 THR THR F . n +F 3 114 ILE 114 114 114 ILE ILE F . n +F 3 115 ILE 115 115 115 ILE ILE F . n +F 3 116 HIS 116 116 116 HIS HIS F . n +F 3 117 VAL 117 117 117 VAL VAL F . n +F 3 118 LYS 118 118 118 LYS LYS F . n +F 3 119 GLY 119 119 ? ? ? F . n +F 3 120 LYS 120 120 ? ? ? F . n +F 3 121 HIS 121 121 ? ? ? F . n +F 3 122 LEU 122 122 ? ? ? F . n +F 3 123 CYS 123 123 ? ? ? F . n +F 3 124 PRO 124 124 ? ? ? F . n +F 3 125 SER 125 125 ? ? ? F . n +F 3 126 PRO 126 126 ? ? ? F . n +F 3 127 LEU 127 127 ? ? ? F . n +F 3 128 PHE 128 128 ? ? ? F . n +F 3 129 PRO 129 129 ? ? ? F . n +F 3 130 GLY 130 130 ? ? ? F . n +F 3 131 PRO 131 131 ? ? ? F . n +F 3 132 SER 132 132 ? ? ? F . n +F 3 133 LYS 133 133 ? ? ? F . n +F 3 134 PRO 134 134 ? ? ? F . n +# +loop_ +_pdbx_branch_scheme.asym_id +_pdbx_branch_scheme.entity_id +_pdbx_branch_scheme.mon_id +_pdbx_branch_scheme.num +_pdbx_branch_scheme.pdb_asym_id +_pdbx_branch_scheme.pdb_mon_id +_pdbx_branch_scheme.pdb_seq_num +_pdbx_branch_scheme.auth_asym_id +_pdbx_branch_scheme.auth_mon_id +_pdbx_branch_scheme.auth_seq_num +_pdbx_branch_scheme.hetero +G 4 NAG 1 G NAG 1 C NAG 207 n +G 4 NAG 2 G NAG 2 C NAG 208 n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +H 5 IMD 1 301 298 IMD IMD A . +I 6 GOL 1 302 299 GOL GOL A . +J 7 ZN 1 303 9 ZN ZN A . +K 7 ZN 1 304 19 ZN ZN A . +L 7 ZN 1 305 24 ZN ZN A . +M 6 GOL 1 301 297 GOL GOL B . +N 5 IMD 1 302 295 IMD IMD B . +O 5 IMD 1 303 296 IMD IMD B . +P 7 ZN 1 304 2 ZN ZN B . +Q 7 ZN 1 305 7 ZN ZN B . +R 7 ZN 1 306 8 ZN ZN B . +S 7 ZN 1 307 11 ZN ZN B . +T 7 ZN 1 308 12 ZN ZN B . +U 7 ZN 1 309 14 ZN ZN B . +V 7 ZN 1 310 16 ZN ZN B . +W 7 ZN 1 311 22 ZN ZN B . +X 8 NAG 1 201 203 NAG NAG C . +Y 8 NAG 1 202 204 NAG NAG C . +Z 6 GOL 1 203 205 GOL GOL C . +AA 8 NAG 1 204 206 NAG NAG C . +BA 8 NAG 1 205 210 NAG NAG C . +CA 5 IMD 1 206 211 IMD IMD C . +DA 7 ZN 1 207 4 ZN ZN C . +EA 7 ZN 1 208 26 ZN ZN C . +FA 5 IMD 1 301 297 IMD IMD D . +GA 6 GOL 1 302 298 GOL GOL D . +HA 6 GOL 1 303 299 GOL GOL D . +IA 7 ZN 1 304 20 ZN ZN D . +JA 7 ZN 1 305 21 ZN ZN D . +KA 5 IMD 1 301 295 IMD IMD E . +LA 6 GOL 1 302 296 GOL GOL E . +MA 7 ZN 1 303 1 ZN ZN E . +NA 7 ZN 1 304 3 ZN ZN E . +OA 7 ZN 1 305 6 ZN ZN E . +PA 7 ZN 1 306 10 ZN ZN E . +QA 7 ZN 1 307 13 ZN ZN E . +RA 7 ZN 1 308 15 ZN ZN E . +SA 7 ZN 1 309 17 ZN ZN E . +TA 7 ZN 1 310 18 ZN ZN E . +UA 7 ZN 1 311 23 ZN ZN E . +VA 7 ZN 1 312 25 ZN ZN E . +WA 8 NAG 1 201 201 NAG NAG F . +XA 8 NAG 1 202 203 NAG NAG F . +YA 8 NAG 1 203 204 NAG NAG F . +ZA 8 NAG 1 204 205 NAG NAG F . +AB 8 NAG 1 205 206 NAG NAG F . +BB 5 IMD 1 206 207 IMD IMD F . +CB 7 ZN 1 207 5 ZN ZN F . +DB 9 HOH 1 401 25 HOH HOH A . +DB 9 HOH 2 402 8 HOH HOH A . +DB 9 HOH 3 403 24 HOH HOH A . +DB 9 HOH 4 404 3 HOH HOH A . +DB 9 HOH 5 405 13 HOH HOH A . +EB 9 HOH 1 401 6 HOH HOH B . +EB 9 HOH 2 402 21 HOH HOH B . +EB 9 HOH 3 403 17 HOH HOH B . +EB 9 HOH 4 404 7 HOH HOH B . +EB 9 HOH 5 405 15 HOH HOH B . +EB 9 HOH 6 406 22 HOH HOH B . +EB 9 HOH 7 407 1 HOH HOH B . +FB 9 HOH 1 301 27 HOH HOH C . +GB 9 HOH 1 401 5 HOH HOH D . +GB 9 HOH 2 402 16 HOH HOH D . +GB 9 HOH 3 403 9 HOH HOH D . +GB 9 HOH 4 404 26 HOH HOH D . +GB 9 HOH 5 405 11 HOH HOH D . +GB 9 HOH 6 406 12 HOH HOH D . +GB 9 HOH 7 407 10 HOH HOH D . +GB 9 HOH 8 408 20 HOH HOH D . +HB 9 HOH 1 401 14 HOH HOH E . +HB 9 HOH 2 402 4 HOH HOH E . +HB 9 HOH 3 403 18 HOH HOH E . +HB 9 HOH 4 404 2 HOH HOH E . +HB 9 HOH 5 405 23 HOH HOH E . +IB 9 HOH 1 301 19 HOH HOH F . +# +loop_ +_software.citation_id +_software.classification +_software.compiler_name +_software.compiler_version +_software.contact_author +_software.contact_author_email +_software.date +_software.description +_software.dependencies +_software.hardware +_software.language +_software.location +_software.mods +_software.name +_software.os +_software.os_version +_software.type +_software.version +_software.pdbx_ordinal +? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0425 1 +? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0425 2 +? 'data collection' ? ? ? ? ? ? ? ? ? ? ? EDNA ? ? ? . 3 +? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? 'Jun 30, 2023' 4 +? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 5 +? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 6 +# +_cell.angle_alpha 90 +_cell.angle_alpha_esd ? +_cell.angle_beta 90 +_cell.angle_beta_esd ? +_cell.angle_gamma 90 +_cell.angle_gamma_esd ? +_cell.entry_id 8S6Z +_cell.details ? +_cell.formula_units_Z ? +_cell.length_a 76.874 +_cell.length_a_esd ? +_cell.length_b 117.939 +_cell.length_b_esd ? +_cell.length_c 145.719 +_cell.length_c_esd ? +_cell.volume ? +_cell.volume_esd ? +_cell.Z_PDB 8 +_cell.reciprocal_angle_alpha ? +_cell.reciprocal_angle_beta ? +_cell.reciprocal_angle_gamma ? +_cell.reciprocal_angle_alpha_esd ? +_cell.reciprocal_angle_beta_esd ? +_cell.reciprocal_angle_gamma_esd ? +_cell.reciprocal_length_a ? +_cell.reciprocal_length_b ? +_cell.reciprocal_length_c ? +_cell.reciprocal_length_a_esd ? +_cell.reciprocal_length_b_esd ? +_cell.reciprocal_length_c_esd ? +_cell.pdbx_unique_axis ? +_cell.pdbx_esd_method ? +# +_symmetry.entry_id 8S6Z +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 19 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 21 21 21' +_symmetry.pdbx_full_space_group_name_H-M ? +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.entry_id 8S6Z +_exptl.crystals_number 1 +_exptl.details ? +_exptl.method 'X-RAY DIFFRACTION' +_exptl.method_details ? +# +_exptl_crystal.colour ? +_exptl_crystal.density_diffrn ? +_exptl_crystal.density_Matthews 2.63 +_exptl_crystal.density_method ? +_exptl_crystal.density_percent_sol 53.3 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.id 1 +_exptl_crystal.preparation ? +_exptl_crystal.size_max ? +_exptl_crystal.size_mid ? +_exptl_crystal.size_min ? +_exptl_crystal.size_rad ? +_exptl_crystal.colour_lustre ? +_exptl_crystal.colour_modifier ? +_exptl_crystal.colour_primary ? +_exptl_crystal.density_meas ? +_exptl_crystal.density_meas_esd ? +_exptl_crystal.density_meas_gt ? +_exptl_crystal.density_meas_lt ? +_exptl_crystal.density_meas_temp ? +_exptl_crystal.density_meas_temp_esd ? +_exptl_crystal.density_meas_temp_gt ? +_exptl_crystal.density_meas_temp_lt ? +_exptl_crystal.pdbx_crystal_image_url ? +_exptl_crystal.pdbx_crystal_image_format ? +_exptl_crystal.pdbx_mosaicity ? +_exptl_crystal.pdbx_mosaicity_esd ? +_exptl_crystal.pdbx_mosaic_method ? +_exptl_crystal.pdbx_mosaic_block_size ? +_exptl_crystal.pdbx_mosaic_block_size_esd ? +# +_exptl_crystal_grow.apparatus ? +_exptl_crystal_grow.atmosphere ? +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details ? +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.method_ref ? +_exptl_crystal_grow.pH 7.4 +_exptl_crystal_grow.pressure ? +_exptl_crystal_grow.pressure_esd ? +_exptl_crystal_grow.seeding ? +_exptl_crystal_grow.seeding_ref ? +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.temp_esd ? +_exptl_crystal_grow.time ? +_exptl_crystal_grow.pdbx_details +;Crystallization trials were set up using the CD28-AI3 Fab at 15.8 mg/mL in phosphate buffered saline (PBS) pH 7.4. Drops were set up using 100 nl protein and 100 nL reservoir solution containing 200 mM zinc acetate, 0.1 M imidazole pH 8.0, 20% w/v PEG 3000. +; +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.temp 293 +# +_diffrn.ambient_environment ? +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.ambient_temp_esd ? +_diffrn.crystal_id 1 +_diffrn.crystal_support ? +_diffrn.crystal_treatment ? +_diffrn.details ? +_diffrn.id 1 +_diffrn.ambient_pressure ? +_diffrn.ambient_pressure_esd ? +_diffrn.ambient_pressure_gt ? +_diffrn.ambient_pressure_lt ? +_diffrn.ambient_temp_gt ? +_diffrn.ambient_temp_lt ? +_diffrn.pdbx_serial_crystal_experiment N +# +_diffrn_detector.details ? +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS EIGER X 16M' +_diffrn_detector.area_resol_mean ? +_diffrn_detector.dtime ? +_diffrn_detector.pdbx_frames_total ? +_diffrn_detector.pdbx_collection_time_total ? +_diffrn_detector.pdbx_collection_date 2023-11-22 +_diffrn_detector.pdbx_frequency ? +_diffrn_detector.id ? +_diffrn_detector.number_of_axes ? +# +_diffrn_radiation.collimation ? +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge ? +_diffrn_radiation.inhomogeneity ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.polarisn_norm ? +_diffrn_radiation.polarisn_ratio ? +_diffrn_radiation.probe ? +_diffrn_radiation.type ? +_diffrn_radiation.xray_symbol ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list ? +_diffrn_radiation.pdbx_wavelength ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.999873 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.current ? +_diffrn_source.details ? +_diffrn_source.diffrn_id 1 +_diffrn_source.power ? +_diffrn_source.size ? +_diffrn_source.source SYNCHROTRON +_diffrn_source.target ? +_diffrn_source.type 'MAX IV BEAMLINE BioMAX' +_diffrn_source.voltage ? +_diffrn_source.take-off_angle ? +_diffrn_source.pdbx_wavelength_list 0.999873 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_beamline BioMAX +_diffrn_source.pdbx_synchrotron_site 'MAX IV' +# +_reflns.B_iso_Wilson_estimate ? +_reflns.entry_id 8S6Z +_reflns.data_reduction_details ? +_reflns.data_reduction_method ? +_reflns.d_resolution_high 3.05 +_reflns.d_resolution_low 91.843 +_reflns.details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.number_all ? +_reflns.number_obs 25981 +_reflns.observed_criterion ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.observed_criterion_I_max ? +_reflns.observed_criterion_I_min ? +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.percent_possible_obs 100.0 +_reflns.R_free_details ? +_reflns.Rmerge_F_all ? +_reflns.Rmerge_F_obs ? +_reflns.Friedel_coverage ? +_reflns.number_gt ? +_reflns.threshold_expression ? +_reflns.pdbx_redundancy 10.3 +_reflns.pdbx_netI_over_av_sigmaI ? +_reflns.pdbx_netI_over_sigmaI 8.2 +_reflns.pdbx_res_netI_over_av_sigmaI_2 ? +_reflns.pdbx_res_netI_over_sigmaI_2 ? +_reflns.pdbx_chi_squared 99.5 +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_d_res_high_opt ? +_reflns.pdbx_d_res_low_opt ? +_reflns.pdbx_d_res_opt_method ? +_reflns.phase_calculation_details ? +_reflns.pdbx_Rrim_I_all 0.268 +_reflns.pdbx_Rpim_I_all 0.112 +_reflns.pdbx_d_opt ? +_reflns.pdbx_number_measured_all ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.995 +_reflns.pdbx_CC_star ? +_reflns.pdbx_R_split ? +_reflns.pdbx_Rmerge_I_obs 0.243 +_reflns.pdbx_Rmerge_I_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_CC_split_method ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_1 ? +_reflns.pdbx_aniso_diffraction_limit_2 ? +_reflns.pdbx_aniso_diffraction_limit_3 ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_1 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_2 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_3 ? +_reflns.pdbx_orthogonalization_convention ? +_reflns.pdbx_percent_possible_ellipsoidal ? +_reflns.pdbx_percent_possible_spherical ? +_reflns.pdbx_percent_possible_ellipsoidal_anomalous ? +_reflns.pdbx_percent_possible_spherical_anomalous ? +_reflns.pdbx_redundancy_anomalous ? +_reflns.pdbx_CC_half_anomalous ? +_reflns.pdbx_absDiff_over_sigma_anomalous ? +_reflns.pdbx_percent_possible_anomalous ? +_reflns.pdbx_observed_signal_threshold ? +_reflns.pdbx_signal_type ? +_reflns.pdbx_signal_details ? +_reflns.pdbx_signal_software_id ? +# +loop_ +_reflns_shell.d_res_high +_reflns_shell.d_res_low +_reflns_shell.meanI_over_sigI_all +_reflns_shell.meanI_over_sigI_obs +_reflns_shell.number_measured_all +_reflns_shell.number_measured_obs +_reflns_shell.number_possible +_reflns_shell.number_unique_all +_reflns_shell.number_unique_obs +_reflns_shell.percent_possible_obs +_reflns_shell.Rmerge_F_all +_reflns_shell.Rmerge_F_obs +_reflns_shell.meanI_over_sigI_gt +_reflns_shell.meanI_over_uI_all +_reflns_shell.meanI_over_uI_gt +_reflns_shell.number_measured_gt +_reflns_shell.number_unique_gt +_reflns_shell.percent_possible_gt +_reflns_shell.Rmerge_F_gt +_reflns_shell.Rmerge_I_gt +_reflns_shell.pdbx_redundancy +_reflns_shell.pdbx_chi_squared +_reflns_shell.pdbx_netI_over_sigmaI_all +_reflns_shell.pdbx_netI_over_sigmaI_obs +_reflns_shell.pdbx_Rrim_I_all +_reflns_shell.pdbx_Rpim_I_all +_reflns_shell.pdbx_rejects +_reflns_shell.pdbx_ordinal +_reflns_shell.pdbx_diffrn_id +_reflns_shell.pdbx_CC_half +_reflns_shell.pdbx_CC_star +_reflns_shell.pdbx_R_split +_reflns_shell.percent_possible_all +_reflns_shell.Rmerge_I_all +_reflns_shell.Rmerge_I_obs +_reflns_shell.pdbx_Rsym_value +_reflns_shell.pdbx_percent_possible_ellipsoidal +_reflns_shell.pdbx_percent_possible_spherical +_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous +_reflns_shell.pdbx_percent_possible_spherical_anomalous +_reflns_shell.pdbx_redundancy_anomalous +_reflns_shell.pdbx_CC_half_anomalous +_reflns_shell.pdbx_absDiff_over_sigma_anomalous +_reflns_shell.pdbx_percent_possible_anomalous +8.63 91.67 ? ? ? ? ? ? 1279 ? ? ? ? ? ? ? ? ? ? ? 8.9 ? ? ? 0.063 0.026 ? 1 1 0.998 ? ? ? ? 0.057 ? ? ? ? ? ? ? ? ? +3.05 3.26 ? ? ? ? ? ? 4612 ? ? ? ? ? ? ? ? ? ? ? 10.5 ? ? ? 2.112 0.884 ? 2 1 0.602 ? ? ? ? 1.912 ? ? ? ? ? ? ? ? ? +# +_refine.aniso_B[1][1] 7.175 +_refine.aniso_B[1][2] -0.000 +_refine.aniso_B[1][3] -0.000 +_refine.aniso_B[2][2] -5.263 +_refine.aniso_B[2][3] -0.000 +_refine.aniso_B[3][3] -1.912 +_refine.B_iso_max ? +_refine.B_iso_mean 91.441 +_refine.B_iso_min ? +_refine.correlation_coeff_Fo_to_Fc 0.942 +_refine.correlation_coeff_Fo_to_Fc_free 0.906 +_refine.details 'Hydrogens have been added in their riding positions' +_refine.diff_density_max ? +_refine.diff_density_max_esd ? +_refine.diff_density_min ? +_refine.diff_density_min_esd ? +_refine.diff_density_rms ? +_refine.diff_density_rms_esd ? +_refine.entry_id 8S6Z +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details ? +_refine.ls_abs_structure_Flack ? +_refine.ls_abs_structure_Flack_esd ? +_refine.ls_abs_structure_Rogers ? +_refine.ls_abs_structure_Rogers_esd ? +_refine.ls_d_res_high 3.050 +_refine.ls_d_res_low 91.843 +_refine.ls_extinction_coef ? +_refine.ls_extinction_coef_esd ? +_refine.ls_extinction_expression ? +_refine.ls_extinction_method ? +_refine.ls_goodness_of_fit_all ? +_refine.ls_goodness_of_fit_all_esd ? +_refine.ls_goodness_of_fit_obs ? +_refine.ls_goodness_of_fit_obs_esd ? +_refine.ls_hydrogen_treatment ? +_refine.ls_matrix_type ? +_refine.ls_number_constraints ? +_refine.ls_number_parameters ? +_refine.ls_number_reflns_all ? +_refine.ls_number_reflns_obs 25926 +_refine.ls_number_reflns_R_free 1327 +_refine.ls_number_reflns_R_work 24599 +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_obs 99.969 +_refine.ls_percent_reflns_R_free 5.118 +_refine.ls_R_factor_all 0.201 +_refine.ls_R_factor_obs ? +_refine.ls_R_factor_R_free 0.2575 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_R_factor_R_work 0.1975 +_refine.ls_R_Fsqd_factor_obs ? +_refine.ls_R_I_factor_obs ? +_refine.ls_redundancy_reflns_all ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_restrained_S_all ? +_refine.ls_restrained_S_obs ? +_refine.ls_shift_over_esd_max ? +_refine.ls_shift_over_esd_mean ? +_refine.ls_structure_factor_coef ? +_refine.ls_weighting_details ? +_refine.ls_weighting_scheme ? +_refine.ls_wR_factor_all ? +_refine.ls_wR_factor_obs ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.solvent_model_details 'MASK BULK SOLVENT' +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.pdbx_R_complete ? +_refine.ls_R_factor_gt ? +_refine.ls_goodness_of_fit_gt ? +_refine.ls_goodness_of_fit_ref ? +_refine.ls_shift_over_su_max ? +_refine.ls_shift_over_su_max_lt ? +_refine.ls_shift_over_su_mean ? +_refine.ls_shift_over_su_mean_lt ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F ? +_refine.pdbx_ls_sigma_Fsqd ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free 0.478 +_refine.pdbx_solvent_vdw_probe_radii 1.200 +_refine.pdbx_solvent_ion_probe_radii 0.800 +_refine.pdbx_solvent_shrinkage_radii 0.800 +_refine.pdbx_real_space_R ? +_refine.pdbx_density_correlation ? +_refine.pdbx_pd_number_of_powder_patterns ? +_refine.pdbx_pd_number_of_points ? +_refine.pdbx_pd_meas_number_of_points ? +_refine.pdbx_pd_proc_ls_prof_R_factor ? +_refine.pdbx_pd_proc_ls_prof_wR_factor ? +_refine.pdbx_pd_Marquardt_correlation_coeff ? +_refine.pdbx_pd_Fsqrd_R_factor ? +_refine.pdbx_pd_ls_matrix_band_width ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B 57.088 +_refine.overall_SU_ML 0.445 +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_average_fsc_overall ? +_refine.pdbx_average_fsc_work ? +_refine.pdbx_average_fsc_free ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.details ? +_refine_hist.d_res_high 3.050 +_refine_hist.d_res_low 91.843 +_refine_hist.number_atoms_solvent 27 +_refine_hist.number_atoms_total 8785 +_refine_hist.number_reflns_all ? +_refine_hist.number_reflns_obs ? +_refine_hist.number_reflns_R_free ? +_refine_hist.number_reflns_R_work ? +_refine_hist.R_factor_all ? +_refine_hist.R_factor_obs ? +_refine_hist.R_factor_R_free ? +_refine_hist.R_factor_R_work ? +_refine_hist.pdbx_number_residues_total ? +_refine_hist.pdbx_B_iso_mean_ligand ? +_refine_hist.pdbx_B_iso_mean_solvent ? +_refine_hist.pdbx_number_atoms_protein 8507 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 251 +_refine_hist.pdbx_number_atoms_lipid ? +_refine_hist.pdbx_number_atoms_carb ? +_refine_hist.pdbx_pseudo_atom_details ? +# +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.criterion +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.rejects +_refine_ls_restr.type +_refine_ls_restr.weight +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' ? 0.007 0.012 8939 ? r_bond_refined_d ? ? +'X-RAY DIFFRACTION' ? 0.001 0.016 8133 ? r_bond_other_d ? ? +'X-RAY DIFFRACTION' ? 1.687 1.811 12147 ? r_angle_refined_deg ? ? +'X-RAY DIFFRACTION' ? 0.586 1.733 18854 ? r_angle_other_deg ? ? +'X-RAY DIFFRACTION' ? 5.844 5.000 1104 ? r_dihedral_angle_1_deg ? ? +'X-RAY DIFFRACTION' ? 4.267 5.000 30 ? r_dihedral_angle_2_deg ? ? +'X-RAY DIFFRACTION' ? 15.976 10.000 1414 ? r_dihedral_angle_3_deg ? ? +'X-RAY DIFFRACTION' ? 14.974 10.000 358 ? r_dihedral_angle_6_deg ? ? +'X-RAY DIFFRACTION' ? 0.078 0.200 1381 ? r_chiral_restr ? ? +'X-RAY DIFFRACTION' ? 0.006 0.020 10356 ? r_gen_planes_refined ? ? +'X-RAY DIFFRACTION' ? 0.001 0.020 2014 ? r_gen_planes_other ? ? +'X-RAY DIFFRACTION' ? 0.194 0.200 1074 ? r_nbd_refined ? ? +'X-RAY DIFFRACTION' ? 0.200 0.200 7353 ? r_symmetry_nbd_other ? ? +'X-RAY DIFFRACTION' ? 0.177 0.200 4178 ? r_nbtor_refined ? ? +'X-RAY DIFFRACTION' ? 0.087 0.200 5062 ? r_symmetry_nbtor_other ? ? +'X-RAY DIFFRACTION' ? 0.189 0.200 124 ? r_xyhbond_nbd_refined ? ? +'X-RAY DIFFRACTION' ? 0.071 0.200 1 ? r_symmetry_xyhbond_nbd_other ? ? +'X-RAY DIFFRACTION' ? 0.137 0.200 8 ? r_metal_ion_refined ? ? +'X-RAY DIFFRACTION' ? 0.218 0.200 32 ? r_symmetry_nbd_refined ? ? +'X-RAY DIFFRACTION' ? 0.256 0.200 85 ? r_nbd_other ? ? +'X-RAY DIFFRACTION' ? 0.248 0.200 5 ? r_symmetry_xyhbond_nbd_refined ? ? +'X-RAY DIFFRACTION' ? 0.109 0.200 1 ? r_symmetry_metal_ion_refined ? ? +'X-RAY DIFFRACTION' ? 6.864 6.840 4434 ? r_mcbond_it ? ? +'X-RAY DIFFRACTION' ? 6.863 6.841 4434 ? r_mcbond_other ? ? +'X-RAY DIFFRACTION' ? 10.170 12.311 5532 ? r_mcangle_it ? ? +'X-RAY DIFFRACTION' ? 10.169 12.311 5533 ? r_mcangle_other ? ? +'X-RAY DIFFRACTION' ? 8.117 7.394 4505 ? r_scbond_it ? ? +'X-RAY DIFFRACTION' ? 8.116 7.395 4506 ? r_scbond_other ? ? +'X-RAY DIFFRACTION' ? 12.172 13.368 6615 ? r_scangle_it ? ? +'X-RAY DIFFRACTION' ? 12.171 13.368 6616 ? r_scangle_other ? ? +'X-RAY DIFFRACTION' ? 15.784 86.363 35237 ? r_lrange_it ? ? +'X-RAY DIFFRACTION' ? 15.785 86.365 35229 ? r_lrange_other ? ? +'X-RAY DIFFRACTION' ? 0.057 0.050 6379 ? r_ncsr_local_group_1 ? ? +'X-RAY DIFFRACTION' ? 0.051 0.050 6725 ? r_ncsr_local_group_2 ? ? +'X-RAY DIFFRACTION' ? 0.113 0.050 3487 ? r_ncsr_local_group_3 ? ? +# +loop_ +_refine_ls_restr_ncs.pdbx_refine_id +_refine_ls_restr_ncs.dom_id +_refine_ls_restr_ncs.ncs_model_details +_refine_ls_restr_ncs.rms_dev_B_iso +_refine_ls_restr_ncs.rms_dev_position +_refine_ls_restr_ncs.weight_B_iso +_refine_ls_restr_ncs.weight_position +_refine_ls_restr_ncs.pdbx_ordinal +_refine_ls_restr_ncs.pdbx_type +_refine_ls_restr_ncs.pdbx_asym_id +_refine_ls_restr_ncs.pdbx_auth_asym_id +_refine_ls_restr_ncs.pdbx_number +_refine_ls_restr_ncs.pdbx_rms +_refine_ls_restr_ncs.pdbx_weight +_refine_ls_restr_ncs.pdbx_ens_id +'X-RAY DIFFRACTION' 1 ? ? 0.05722 ? 0.05010 1 'Local ncs' ? A ? ? ? 1 +'X-RAY DIFFRACTION' 2 ? ? 0.05722 ? 0.05010 2 'Local ncs' ? A ? ? ? 1 +'X-RAY DIFFRACTION' 3 ? ? 0.05091 ? 0.05010 3 'Local ncs' ? A ? ? ? 2 +'X-RAY DIFFRACTION' 4 ? ? 0.05091 ? 0.05010 4 'Local ncs' ? A ? ? ? 2 +'X-RAY DIFFRACTION' 5 ? ? 0.11281 ? 0.05010 5 'Local ncs' ? A ? ? ? 3 +'X-RAY DIFFRACTION' 6 ? ? 0.11281 ? 0.05010 6 'Local ncs' ? A ? ? ? 3 +# +loop_ +_refine_ls_shell.pdbx_refine_id +_refine_ls_shell.d_res_high +_refine_ls_shell.d_res_low +_refine_ls_shell.number_reflns_all +_refine_ls_shell.number_reflns_obs +_refine_ls_shell.number_reflns_R_free +_refine_ls_shell.number_reflns_R_work +_refine_ls_shell.percent_reflns_obs +_refine_ls_shell.percent_reflns_R_free +_refine_ls_shell.R_factor_all +_refine_ls_shell.R_factor_obs +_refine_ls_shell.R_factor_R_free_error +_refine_ls_shell.R_factor_R_work +_refine_ls_shell.redundancy_reflns_all +_refine_ls_shell.redundancy_reflns_obs +_refine_ls_shell.wR_factor_all +_refine_ls_shell.wR_factor_obs +_refine_ls_shell.wR_factor_R_free +_refine_ls_shell.wR_factor_R_work +_refine_ls_shell.pdbx_R_complete +_refine_ls_shell.pdbx_total_number_of_bins_used +_refine_ls_shell.pdbx_phase_error +_refine_ls_shell.pdbx_fsc_work +_refine_ls_shell.pdbx_fsc_free +_refine_ls_shell.R_factor_R_free +'X-RAY DIFFRACTION' 3.050 3.129 1877 . 98 1779 100.0000 . 0.359 . . 0.359 . . . . . 0.361 . 20 . 0.871 0.878 0.365 +'X-RAY DIFFRACTION' 3.129 3.215 1841 . 95 1746 100.0000 . 0.329 . . 0.328 . . . . . 0.325 . 20 . 0.894 0.875 0.332 +'X-RAY DIFFRACTION' 3.215 3.308 1784 . 91 1693 100.0000 . 0.292 . . 0.291 . . . . . 0.284 . 20 . 0.930 0.927 0.311 +'X-RAY DIFFRACTION' 3.308 3.410 1738 . 85 1653 100.0000 . 0.255 . . 0.253 . . . . . 0.239 . 20 . 0.950 0.947 0.288 +'X-RAY DIFFRACTION' 3.410 3.521 1691 . 75 1616 100.0000 . 0.217 . . 0.216 . . . . . 0.199 . 20 . 0.966 0.954 0.238 +'X-RAY DIFFRACTION' 3.521 3.645 1642 . 90 1552 100.0000 . 0.208 . . 0.204 . . . . . 0.186 . 20 . 0.970 0.924 0.285 +'X-RAY DIFFRACTION' 3.645 3.782 1558 . 71 1487 100.0000 . 0.206 . . 0.205 . . . . . 0.181 . 20 . 0.971 0.955 0.237 +'X-RAY DIFFRACTION' 3.782 3.936 1529 . 61 1467 99.9346 . 0.182 . . 0.178 . . . . . 0.157 . 20 . 0.976 0.944 0.284 +'X-RAY DIFFRACTION' 3.936 4.111 1471 . 93 1378 100.0000 . 0.162 . . 0.157 . . . . . 0.136 . 20 . 0.983 0.959 0.249 +'X-RAY DIFFRACTION' 4.111 4.311 1406 . 96 1310 100.0000 . 0.146 . . 0.140 . . . . . 0.124 . 20 . 0.986 0.970 0.227 +'X-RAY DIFFRACTION' 4.311 4.544 1336 . 66 1270 100.0000 . 0.131 . . 0.126 . . . . . 0.112 . 20 . 0.989 0.969 0.217 +'X-RAY DIFFRACTION' 4.544 4.819 1262 . 66 1196 100.0000 . 0.142 . . 0.139 . . . . . 0.126 . 20 . 0.988 0.971 0.195 +'X-RAY DIFFRACTION' 4.819 5.150 1206 . 55 1151 100.0000 . 0.136 . . 0.133 . . . . . 0.122 . 20 . 0.990 0.973 0.191 +'X-RAY DIFFRACTION' 5.150 5.561 1108 . 55 1053 100.0000 . 0.159 . . 0.157 . . . . . 0.143 . 20 . 0.987 0.974 0.208 +'X-RAY DIFFRACTION' 5.561 6.090 1043 . 44 998 99.9041 . 0.177 . . 0.174 . . . . . 0.159 . 20 . 0.984 0.964 0.236 +'X-RAY DIFFRACTION' 6.090 6.805 936 . 57 879 100.0000 . 0.184 . . 0.178 . . . . . 0.164 . 20 . 0.979 0.959 0.281 +'X-RAY DIFFRACTION' 6.805 7.851 856 . 49 806 99.8832 . 0.197 . . 0.192 . . . . . 0.181 . 20 . 0.977 0.952 0.297 +'X-RAY DIFFRACTION' 7.851 9.598 722 . 35 686 99.8615 . 0.201 . . 0.198 . . . . . 0.197 . 20 . 0.981 0.961 0.268 +'X-RAY DIFFRACTION' 9.598 13.500 571 . 23 548 100.0000 . 0.231 . . 0.231 . . . . . 0.236 . 20 . 0.978 0.983 0.227 +'X-RAY DIFFRACTION' 13.500 91.843 357 . 22 331 98.8796 . 0.461 . . 0.465 . . . . . 0.510 . 20 . 0.886 0.924 0.410 +# +loop_ +_struct_ncs_dom.id +_struct_ncs_dom.pdbx_ens_id +_struct_ncs_dom.details +1 1 A +2 1 A +3 2 A +4 2 A +5 3 A +6 3 A +# +loop_ +_struct_ncs_dom_lim.pdbx_ens_id +_struct_ncs_dom_lim.dom_id +_struct_ncs_dom_lim.pdbx_component_id +_struct_ncs_dom_lim.beg_label_asym_id +_struct_ncs_dom_lim.beg_label_comp_id +_struct_ncs_dom_lim.beg_label_seq_id +_struct_ncs_dom_lim.beg_label_alt_id +_struct_ncs_dom_lim.end_label_asym_id +_struct_ncs_dom_lim.end_label_comp_id +_struct_ncs_dom_lim.end_label_seq_id +_struct_ncs_dom_lim.end_label_alt_id +_struct_ncs_dom_lim.beg_auth_asym_id +_struct_ncs_dom_lim.beg_auth_comp_id +_struct_ncs_dom_lim.beg_auth_seq_id +_struct_ncs_dom_lim.end_auth_asym_id +_struct_ncs_dom_lim.end_auth_comp_id +_struct_ncs_dom_lim.end_auth_seq_id +_struct_ncs_dom_lim.pdbx_refine_code +_struct_ncs_dom_lim.selection_details +1 1 1 A GLU 1 . A PRO 216 . A GLU 1 A PRO 212 ? ? +1 2 1 A GLU 1 . A PRO 216 . A GLU 1 A PRO 212 ? ? +2 3 2 A GLU 1 . A PRO 216 . A GLU 1 A PRO 212 ? ? +2 4 2 A GLU 1 . A PRO 216 . A GLU 1 A PRO 212 ? ? +3 5 3 A GLU 1 . A PRO 122 . A GLU 1 A PRO 118 ? ? +3 6 3 A GLU 1 . A PRO 122 . A GLU 1 A PRO 118 ? ? +# +loop_ +_struct_ncs_ens.id +_struct_ncs_ens.details +1 'Local NCS retraints between domains: 1 2' +2 'Local NCS retraints between domains: 3 4' +3 'Local NCS retraints between domains: 5 6' +# +_struct.entry_id 8S6Z +_struct.title 'CD28 in complex with the antibody Fab fragment AI3' +_struct.pdbx_model_details ? +_struct.pdbx_formula_weight ? +_struct.pdbx_formula_weight_method ? +_struct.pdbx_model_type_details ? +_struct.pdbx_CASP_flag N +# +_struct_keywords.entry_id 8S6Z +_struct_keywords.text 'Antibody, Complex, CD28, IMMUNE SYSTEM' +_struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 1 ? +E N N 2 ? +F N N 3 ? +G N N 4 ? +H N N 5 ? +I N N 6 ? +J N N 7 ? +K N N 7 ? +L N N 7 ? +M N N 6 ? +N N N 5 ? +O N N 5 ? +P N N 7 ? +Q N N 7 ? +R N N 7 ? +S N N 7 ? +T N N 7 ? +U N N 7 ? +V N N 7 ? +W N N 7 ? +X N N 8 ? +Y N N 8 ? +Z N N 6 ? +AA N N 8 ? +BA N N 8 ? +CA N N 5 ? +DA N N 7 ? +EA N N 7 ? +FA N N 5 ? +GA N N 6 ? +HA N N 6 ? +IA N N 7 ? +JA N N 7 ? +KA N N 5 ? +LA N N 6 ? +MA N N 7 ? +NA N N 7 ? +OA N N 7 ? +PA N N 7 ? +QA N N 7 ? +RA N N 7 ? +SA N N 7 ? +TA N N 7 ? +UA N N 7 ? +VA N N 7 ? +WA N N 8 ? +XA N N 8 ? +YA N N 8 ? +ZA N N 8 ? +AB N N 8 ? +BB N N 5 ? +CB N N 7 ? +DB N N 9 ? +EB N N 9 ? +FB N N 9 ? +GB N N 9 ? +HB N N 9 ? +IB N N 9 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +1 PDB 8S6Z 8S6Z ? 1 ? 1 +2 PDB 8S6Z 8S6Z ? 2 ? 1 +3 UNP CD28_HUMAN P10747 ? 3 +;NKILVKQSPMLVAYDNAVNLSCKYSYNLFSREFRASLHKGLDSAVEVCVVYGNYSQQLQVYSKTGFNCDGKLGNESVTFY +LQNLYVNQTDIYFCKIEVMYPPPYLDNEKSNGTIIHVKGKHLCPSPLFPGPSKP +; +19 +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 8S6Z A 1 ? 223 ? 8S6Z 1 ? 219 ? 1 219 +2 2 8S6Z B 1 ? 220 ? 8S6Z 1 ? 214 ? 1 214 +3 3 8S6Z C 1 ? 134 ? P10747 19 ? 152 ? 1 134 +4 1 8S6Z D 1 ? 223 ? 8S6Z 1 ? 219 ? 1 219 +5 2 8S6Z E 1 ? 220 ? 8S6Z 1 ? 214 ? 1 214 +6 3 8S6Z F 1 ? 134 ? P10747 19 ? 152 ? 1 134 +# +loop_ +_pdbx_struct_assembly.id +_pdbx_struct_assembly.details +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +1 author_defined_assembly ? trimeric 3 +2 author_defined_assembly ? trimeric 3 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 1 A,B,C,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,DB,EB,FB +2 1 D,E,F,FA,GA,HA,IA,JA,KA,LA,MA,NA,OA,PA,QA,RA,SA,TA,UA,VA,WA,XA,YA,ZA,AB,BB,CB,GB,HB,IB +# +loop_ +_pdbx_struct_assembly_auth_evidence.id +_pdbx_struct_assembly_auth_evidence.assembly_id +_pdbx_struct_assembly_auth_evidence.experimental_support +_pdbx_struct_assembly_auth_evidence.details +1 1 'gel filtration' ? +2 2 'gel filtration' ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 AA1 THR A 28 ? TYR A 32 ? THR A 28 TYR A 32 5 ? 5 +HELX_P HELX_P2 AA2 ASP A 62 ? LYS A 65 ? ASP A 61 LYS A 64 5 ? 4 +HELX_P HELX_P3 AA3 ARG A 87 ? THR A 91 ? ARG A 83 THR A 87 5 ? 5 +HELX_P HELX_P4 AA4 SER A 159 ? ALA A 161 ? SER A 155 ALA A 157 5 ? 3 +HELX_P HELX_P5 AA5 SER A 190 ? GLN A 195 ? SER A 186 GLN A 191 5 ? 6 +HELX_P HELX_P6 AA6 LYS A 204 ? ASN A 207 ? LYS A 200 ASN A 203 5 ? 4 +HELX_P HELX_P7 AA7 GLN B 85 ? VAL B 89 ? GLN B 79 VAL B 83 5 ? 5 +HELX_P HELX_P8 AA8 SER B 127 ? SER B 133 ? SER B 121 SER B 127 1 ? 7 +HELX_P HELX_P9 AA9 LYS B 189 ? GLU B 193 ? LYS B 183 GLU B 187 1 ? 5 +HELX_P HELX_P10 AB1 TYR C 85 ? THR C 89 ? TYR C 85 THR C 89 5 ? 5 +HELX_P HELX_P11 AB2 THR D 28 ? TYR D 32 ? THR D 28 TYR D 32 5 ? 5 +HELX_P HELX_P12 AB3 ASP D 62 ? LYS D 65 ? ASP D 61 LYS D 64 5 ? 4 +HELX_P HELX_P13 AB4 ARG D 87 ? THR D 91 ? ARG D 83 THR D 87 5 ? 5 +HELX_P HELX_P14 AB5 SER D 159 ? ALA D 161 ? SER D 155 ALA D 157 5 ? 3 +HELX_P HELX_P15 AB6 SER D 190 ? GLN D 195 ? SER D 186 GLN D 191 5 ? 6 +HELX_P HELX_P16 AB7 LYS D 204 ? ASN D 207 ? LYS D 200 ASN D 203 5 ? 4 +HELX_P HELX_P17 AB8 GLN E 85 ? VAL E 89 ? GLN E 79 VAL E 83 5 ? 5 +HELX_P HELX_P18 AB9 SER E 127 ? SER E 133 ? SER E 121 SER E 127 1 ? 7 +HELX_P HELX_P19 AC1 LYS E 189 ? GLU E 193 ? LYS E 183 GLU E 187 1 ? 5 +HELX_P HELX_P20 AC2 TYR F 85 ? THR F 89 ? TYR F 85 THR F 89 5 ? 5 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +disulf1 disulf ? ? A CYS 22 SG ? ? ? 1_555 A CYS 96 SG ? ? A CYS 22 A CYS 92 1_555 ? ? ? ? ? ? ? 2.042 ? ? +disulf2 disulf ? ? A CYS 143 SG ? ? ? 1_555 A CYS 199 SG ? ? A CYS 139 A CYS 195 1_555 ? ? ? ? ? ? ? 2.015 ? ? +disulf3 disulf ? ? B CYS 23 SG ? ? ? 1_555 B CYS 94 SG ? ? B CYS 23 B CYS 88 1_555 ? ? ? ? ? ? ? 2.075 ? ? +disulf4 disulf ? ? B CYS 140 SG ? ? ? 1_555 B CYS 200 SG ? ? B CYS 134 B CYS 194 1_555 ? ? ? ? ? ? ? 2.094 ? ? +disulf5 disulf ? ? C CYS 22 SG ? ? ? 1_555 C CYS 94 SG ? ? C CYS 22 C CYS 94 1_555 ? ? ? ? ? ? ? 2.004 ? ? +disulf6 disulf ? ? C CYS 48 SG ? ? ? 1_555 C CYS 68 SG ? ? C CYS 48 C CYS 68 1_555 ? ? ? ? ? ? ? 2.060 ? ? +disulf7 disulf ? ? D CYS 22 SG ? ? ? 1_555 D CYS 96 SG ? ? D CYS 22 D CYS 92 1_555 ? ? ? ? ? ? ? 2.043 ? ? +disulf8 disulf ? ? D CYS 143 SG ? ? ? 1_555 D CYS 199 SG ? ? D CYS 139 D CYS 195 1_555 ? ? ? ? ? ? ? 2.007 ? ? +disulf9 disulf ? ? E CYS 23 SG ? ? ? 1_555 E CYS 94 SG ? ? E CYS 23 E CYS 88 1_555 ? ? ? ? ? ? ? 2.053 ? ? +disulf10 disulf ? ? E CYS 140 SG ? ? ? 1_555 E CYS 200 SG ? ? E CYS 134 E CYS 194 1_555 ? ? ? ? ? ? ? 2.060 ? ? +disulf11 disulf ? ? F CYS 22 SG ? ? ? 1_555 F CYS 94 SG ? ? F CYS 22 F CYS 94 1_555 ? ? ? ? ? ? ? 2.026 ? ? +disulf12 disulf ? ? F CYS 48 SG ? ? ? 1_555 F CYS 68 SG ? ? F CYS 48 F CYS 68 1_555 ? ? ? ? ? ? ? 1.982 ? ? +covale1 covale one ? C ASN 19 ND2 ? ? ? 1_555 G NAG . C1 ? ? C ASN 19 G NAG 1 1_555 ? ? ? ? ? ? ? 1.468 ? +N-Glycosylation +covale2 covale one ? C ASN 53 ND2 ? ? ? 1_555 AA NAG . C1 ? ? C ASN 53 C NAG 204 1_555 ? ? ? ? ? ? ? 1.430 ? +N-Glycosylation +covale3 covale one ? C ASN 74 ND2 ? ? ? 1_555 BA NAG . C1 ? ? C ASN 74 C NAG 205 1_555 ? ? ? ? ? ? ? 1.452 ? +N-Glycosylation +covale4 covale one ? C ASN 87 ND2 ? ? ? 1_555 X NAG . C1 ? ? C ASN 87 C NAG 201 1_555 ? ? ? ? ? ? ? 1.432 ? +N-Glycosylation +covale5 covale one ? C ASN 111 ND2 ? ? ? 1_555 Y NAG . C1 ? ? C ASN 111 C NAG 202 1_555 ? ? ? ? ? ? ? 1.447 ? +N-Glycosylation +covale6 covale one ? F ASN 19 ND2 ? ? ? 1_555 WA NAG . C1 ? ? F ASN 19 F NAG 201 1_555 ? ? ? ? ? ? ? 1.470 ? +N-Glycosylation +covale7 covale one ? F ASN 53 ND2 ? ? ? 1_555 ZA NAG . C1 ? ? F ASN 53 F NAG 204 1_555 ? ? ? ? ? ? ? 1.446 ? +N-Glycosylation +covale8 covale one ? F ASN 74 ND2 ? ? ? 1_555 AB NAG . C1 ? ? F ASN 74 F NAG 205 1_555 ? ? ? ? ? ? ? 1.439 ? +N-Glycosylation +covale9 covale one ? F ASN 87 ND2 ? ? ? 1_555 XA NAG . C1 ? ? F ASN 87 F NAG 202 1_555 ? ? ? ? ? ? ? 1.447 ? +N-Glycosylation +covale10 covale one ? F ASN 111 ND2 ? ? ? 1_555 YA NAG . C1 ? ? F ASN 111 F NAG 203 1_555 ? ? ? ? ? ? ? 1.451 ? +N-Glycosylation +covale11 covale both ? G NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? G NAG 1 G NAG 2 1_555 ? ? ? ? ? ? ? 1.405 ? ? +metalc1 metalc ? ? A GLU 1 OE1 ? ? ? 1_555 NA ZN . ZN ? ? A GLU 1 E ZN 304 1_555 ? ? ? ? ? ? ? 2.694 ? ? +metalc2 metalc ? ? A ASP 62 OD2 ? ? ? 1_555 J ZN . ZN ? ? A ASP 61 A ZN 303 1_555 ? ? ? ? ? ? ? 1.948 ? ? +metalc3 metalc ? ? A HIS 167 NE2 ? ? ? 1_555 P ZN . ZN ? ? A HIS 163 B ZN 304 1_555 ? ? ? ? ? ? ? 2.017 ? ? +metalc4 metalc ? ? J ZN . ZN ? ? ? 1_555 DB HOH . O ? ? A ZN 303 A HOH 401 1_555 ? ? ? ? ? ? ? 2.547 ? ? +metalc5 metalc ? ? J ZN . ZN ? ? ? 1_555 DB HOH . O ? ? A ZN 303 A HOH 404 1_555 ? ? ? ? ? ? ? 2.433 ? ? +metalc6 metalc ? ? B ASP 9 OD2 ? ? ? 1_555 R ZN . ZN ? ? B ASP 9 B ZN 306 1_555 ? ? ? ? ? ? ? 2.249 ? ? +metalc7 metalc ? ? B GLU 61 OE1 ? ? ? 1_555 Q ZN . ZN ? ? B GLU 55 B ZN 305 1_555 ? ? ? ? ? ? ? 2.451 ? ? +metalc8 metalc ? ? B GLU 61 OE2 ? ? ? 1_555 Q ZN . ZN ? ? B GLU 55 B ZN 305 1_555 ? ? ? ? ? ? ? 2.578 ? ? +metalc9 metalc ? ? B ASP 66 OD1 ? ? ? 1_555 V ZN . ZN ? ? B ASP 60 B ZN 310 1_555 ? ? ? ? ? ? ? 1.810 ? ? +metalc10 metalc ? ? B GLU 87 OE1 ? ? ? 1_555 U ZN . ZN ? ? B GLU 81 B ZN 309 1_555 ? ? ? ? ? ? ? 1.829 ? ? +metalc11 metalc ? ? B GLU 87 OE2 ? ? ? 1_555 U ZN . ZN ? ? B GLU 81 B ZN 309 1_555 ? ? ? ? ? ? ? 2.151 ? ? +metalc12 metalc ? ? B ASN 143 OD1 ? ? ? 1_555 P ZN . ZN ? ? B ASN 137 B ZN 304 1_555 ? ? ? ? ? ? ? 2.044 ? ? +metalc13 metalc ? ? B ASN 144 OD1 ? ? ? 1_555 P ZN . ZN ? ? B ASN 138 B ZN 304 1_555 ? ? ? ? ? ? ? 2.136 ? ? +metalc14 metalc ? ? B ASP 173 OD2 ? ? ? 1_555 T ZN . ZN ? ? B ASP 167 B ZN 308 1_555 ? ? ? ? ? ? ? 2.655 ? ? +metalc15 metalc ? ? B GLU 193 OE1 ? ? ? 1_555 W ZN . ZN ? ? B GLU 187 B ZN 311 1_555 ? ? ? ? ? ? ? 2.585 ? ? +metalc16 metalc ? ? B HIS 195 NE2 ? ? ? 1_555 S ZN . ZN ? ? B HIS 189 B ZN 307 1_555 ? ? ? ? ? ? ? 2.639 ? ? +metalc17 metalc ? ? N IMD . N1 ? ? ? 1_555 R ZN . ZN ? ? B IMD 302 B ZN 306 1_555 ? ? ? ? ? ? ? 2.374 ? ? +metalc18 metalc ? ? P ZN . ZN ? ? ? 1_555 D GLU 1 OE1 ? ? B ZN 304 D GLU 1 1_555 ? ? ? ? ? ? ? 2.376 ? ? +metalc19 metalc ? ? C HIS 38 NE2 ? ? ? 1_555 DA ZN . ZN ? ? C HIS 38 C ZN 207 1_555 ? ? ? ? ? ? ? 2.357 ? ? +metalc20 metalc ? ? C GLU 46 OE2 ? ? ? 1_555 DA ZN . ZN ? ? C GLU 46 C ZN 207 1_555 ? ? ? ? ? ? ? 2.381 ? ? +metalc21 metalc ? ? C HIS 116 NE2 ? ? ? 1_555 EA ZN . ZN ? ? C HIS 116 C ZN 208 1_555 ? ? ? ? ? ? ? 2.172 ? ? +metalc22 metalc ? ? EA ZN . ZN ? ? ? 3_654 F HIS 116 NE2 ? ? C ZN 208 F HIS 116 1_555 ? ? ? ? ? ? ? 1.952 ? ? +metalc23 metalc ? ? D ASP 62 OD2 ? ? ? 1_555 JA ZN . ZN ? ? D ASP 61 D ZN 305 1_555 ? ? ? ? ? ? ? 2.183 ? ? +metalc24 metalc ? ? D HIS 167 NE2 ? ? ? 1_555 NA ZN . ZN ? ? D HIS 163 E ZN 304 1_555 ? ? ? ? ? ? ? 1.975 ? ? +metalc25 metalc ? ? E ASP 9 OD2 ? ? ? 1_555 RA ZN . ZN ? ? E ASP 9 E ZN 308 1_555 ? ? ? ? ? ? ? 2.537 ? ? +metalc26 metalc ? ? E GLU 61 OE1 ? ? ? 1_555 PA ZN . ZN ? ? E GLU 55 E ZN 306 1_555 ? ? ? ? ? ? ? 2.280 ? ? +metalc27 metalc ? ? E GLU 61 OE2 ? ? ? 1_555 PA ZN . ZN ? ? E GLU 55 E ZN 306 1_555 ? ? ? ? ? ? ? 2.577 ? ? +metalc28 metalc ? ? E GLU 87 OE1 ? ? ? 1_555 QA ZN . ZN ? ? E GLU 81 E ZN 307 1_555 ? ? ? ? ? ? ? 2.173 ? ? +metalc29 metalc ? ? E GLU 87 OE2 ? ? ? 1_555 QA ZN . ZN ? ? E GLU 81 E ZN 307 1_555 ? ? ? ? ? ? ? 2.149 ? ? +metalc30 metalc ? ? E ASN 143 OD1 ? ? ? 1_555 NA ZN . ZN ? ? E ASN 137 E ZN 304 1_555 ? ? ? ? ? ? ? 2.266 ? ? +metalc31 metalc ? ? E ASN 144 OD1 ? ? ? 1_555 NA ZN . ZN ? ? E ASN 138 E ZN 304 1_555 ? ? ? ? ? ? ? 2.161 ? ? +metalc32 metalc ? ? E ASP 157 OD2 ? ? ? 1_555 MA ZN . ZN ? ? E ASP 151 E ZN 303 1_555 ? ? ? ? ? ? ? 1.787 ? ? +metalc33 metalc ? ? E ASP 173 OD2 ? ? ? 1_555 TA ZN . ZN ? ? E ASP 167 E ZN 310 1_555 ? ? ? ? ? ? ? 2.446 ? ? +metalc34 metalc ? ? E ASP 191 OD2 ? ? ? 1_555 OA ZN . ZN ? ? E ASP 185 E ZN 305 1_555 ? ? ? ? ? ? ? 2.175 ? ? +metalc35 metalc ? ? E HIS 195 ND1 ? ? ? 1_555 MA ZN . ZN ? ? E HIS 189 E ZN 303 1_555 ? ? ? ? ? ? ? 2.038 ? ? +metalc36 metalc ? ? E GLU 201 OE1 ? ? ? 1_555 VA ZN . ZN ? ? E GLU 195 E ZN 312 1_555 ? ? ? ? ? ? ? 2.673 ? ? +metalc37 metalc ? ? E GLU 201 OE2 ? ? ? 1_555 VA ZN . ZN ? ? E GLU 195 E ZN 312 1_555 ? ? ? ? ? ? ? 2.005 ? ? +metalc38 metalc ? ? KA IMD . N3 ? ? ? 1_555 OA ZN . ZN ? ? E IMD 301 E ZN 305 1_555 ? ? ? ? ? ? ? 2.477 ? ? +metalc39 metalc ? ? F HIS 38 NE2 ? ? ? 1_555 CB ZN . ZN ? ? F HIS 38 F ZN 207 1_555 ? ? ? ? ? ? ? 2.453 ? ? +metalc40 metalc ? ? F GLU 46 OE2 ? ? ? 1_555 CB ZN . ZN ? ? F GLU 46 F ZN 207 1_555 ? ? ? ? ? ? ? 2.430 ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +disulf ? ? +covale ? ? +metalc ? ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 OE1 ? A GLU 1 ? A GLU 1 ? 1_555 ZN ? NA ZN . ? E ZN 304 ? 1_555 NE2 ? D HIS 167 ? D HIS 163 ? 1_555 169.5 ? +2 OE1 ? A GLU 1 ? A GLU 1 ? 1_555 ZN ? NA ZN . ? E ZN 304 ? 1_555 OD1 ? E ASN 143 ? E ASN 137 ? 1_555 109.7 ? +3 NE2 ? D HIS 167 ? D HIS 163 ? 1_555 ZN ? NA ZN . ? E ZN 304 ? 1_555 OD1 ? E ASN 143 ? E ASN 137 ? 1_555 78.8 ? +4 OE1 ? A GLU 1 ? A GLU 1 ? 1_555 ZN ? NA ZN . ? E ZN 304 ? 1_555 OD1 ? E ASN 144 ? E ASN 138 ? 1_555 80.7 ? +5 NE2 ? D HIS 167 ? D HIS 163 ? 1_555 ZN ? NA ZN . ? E ZN 304 ? 1_555 OD1 ? E ASN 144 ? E ASN 138 ? 1_555 95.0 ? +6 OD1 ? E ASN 143 ? E ASN 137 ? 1_555 ZN ? NA ZN . ? E ZN 304 ? 1_555 OD1 ? E ASN 144 ? E ASN 138 ? 1_555 80.8 ? +7 OD2 ? A ASP 62 ? A ASP 61 ? 1_555 ZN ? J ZN . ? A ZN 303 ? 1_555 O ? DB HOH . ? A HOH 401 ? 1_555 66.9 ? +8 OD2 ? A ASP 62 ? A ASP 61 ? 1_555 ZN ? J ZN . ? A ZN 303 ? 1_555 O ? DB HOH . ? A HOH 404 ? 1_555 121.8 ? +9 O ? DB HOH . ? A HOH 401 ? 1_555 ZN ? J ZN . ? A ZN 303 ? 1_555 O ? DB HOH . ? A HOH 404 ? 1_555 110.6 ? +10 NE2 ? A HIS 167 ? A HIS 163 ? 1_555 ZN ? P ZN . ? B ZN 304 ? 1_555 OD1 ? B ASN 143 ? B ASN 137 ? 1_555 93.4 ? +11 NE2 ? A HIS 167 ? A HIS 163 ? 1_555 ZN ? P ZN . ? B ZN 304 ? 1_555 OD1 ? B ASN 144 ? B ASN 138 ? 1_555 91.6 ? +12 OD1 ? B ASN 143 ? B ASN 137 ? 1_555 ZN ? P ZN . ? B ZN 304 ? 1_555 OD1 ? B ASN 144 ? B ASN 138 ? 1_555 83.2 ? +13 NE2 ? A HIS 167 ? A HIS 163 ? 1_555 ZN ? P ZN . ? B ZN 304 ? 1_555 OE1 ? D GLU 1 ? D GLU 1 ? 1_555 153.7 ? +14 OD1 ? B ASN 143 ? B ASN 137 ? 1_555 ZN ? P ZN . ? B ZN 304 ? 1_555 OE1 ? D GLU 1 ? D GLU 1 ? 1_555 110.1 ? +15 OD1 ? B ASN 144 ? B ASN 138 ? 1_555 ZN ? P ZN . ? B ZN 304 ? 1_555 OE1 ? D GLU 1 ? D GLU 1 ? 1_555 80.0 ? +16 OD2 ? B ASP 9 ? B ASP 9 ? 1_555 ZN ? R ZN . ? B ZN 306 ? 1_555 N1 ? N IMD . ? B IMD 302 ? 1_555 120.9 ? +17 OE1 ? B GLU 61 ? B GLU 55 ? 1_555 ZN ? Q ZN . ? B ZN 305 ? 1_555 OE2 ? B GLU 61 ? B GLU 55 ? 1_555 51.6 ? +18 OE1 ? B GLU 87 ? B GLU 81 ? 1_555 ZN ? U ZN . ? B ZN 309 ? 1_555 OE2 ? B GLU 87 ? B GLU 81 ? 1_555 67.3 ? +19 NE2 ? C HIS 38 ? C HIS 38 ? 1_555 ZN ? DA ZN . ? C ZN 207 ? 1_555 OE2 ? C GLU 46 ? C GLU 46 ? 1_555 75.0 ? +20 NE2 ? C HIS 116 ? C HIS 116 ? 1_555 ZN ? EA ZN . ? C ZN 208 ? 1_555 NE2 ? F HIS 116 ? F HIS 116 ? 1_555 48.6 ? +21 OE1 ? E GLU 61 ? E GLU 55 ? 1_555 ZN ? PA ZN . ? E ZN 306 ? 1_555 OE2 ? E GLU 61 ? E GLU 55 ? 1_555 52.5 ? +22 OE1 ? E GLU 87 ? E GLU 81 ? 1_555 ZN ? QA ZN . ? E ZN 307 ? 1_555 OE2 ? E GLU 87 ? E GLU 81 ? 1_555 61.0 ? +23 OD2 ? E ASP 157 ? E ASP 151 ? 1_555 ZN ? MA ZN . ? E ZN 303 ? 1_555 ND1 ? E HIS 195 ? E HIS 189 ? 1_555 86.3 ? +24 OD2 ? E ASP 191 ? E ASP 185 ? 1_555 ZN ? OA ZN . ? E ZN 305 ? 1_555 N3 ? KA IMD . ? E IMD 301 ? 1_555 84.9 ? +25 OE1 ? E GLU 201 ? E GLU 195 ? 1_555 ZN ? VA ZN . ? E ZN 312 ? 1_555 OE2 ? E GLU 201 ? E GLU 195 ? 1_555 53.3 ? +26 NE2 ? F HIS 38 ? F HIS 38 ? 1_555 ZN ? CB ZN . ? F ZN 207 ? 1_555 OE2 ? F GLU 46 ? F GLU 46 ? 1_555 72.7 ? +# +loop_ +_pdbx_modification_feature.ordinal +_pdbx_modification_feature.label_comp_id +_pdbx_modification_feature.label_asym_id +_pdbx_modification_feature.label_seq_id +_pdbx_modification_feature.label_alt_id +_pdbx_modification_feature.modified_residue_label_comp_id +_pdbx_modification_feature.modified_residue_label_asym_id +_pdbx_modification_feature.modified_residue_label_seq_id +_pdbx_modification_feature.modified_residue_label_alt_id +_pdbx_modification_feature.auth_comp_id +_pdbx_modification_feature.auth_asym_id +_pdbx_modification_feature.auth_seq_id +_pdbx_modification_feature.PDB_ins_code +_pdbx_modification_feature.symmetry +_pdbx_modification_feature.modified_residue_auth_comp_id +_pdbx_modification_feature.modified_residue_auth_asym_id +_pdbx_modification_feature.modified_residue_auth_seq_id +_pdbx_modification_feature.modified_residue_PDB_ins_code +_pdbx_modification_feature.modified_residue_symmetry +_pdbx_modification_feature.comp_id_linking_atom +_pdbx_modification_feature.modified_residue_id_linking_atom +_pdbx_modification_feature.modified_residue_id +_pdbx_modification_feature.ref_pcm_id +_pdbx_modification_feature.ref_comp_id +_pdbx_modification_feature.type +_pdbx_modification_feature.category +1 NAG AA . ? ASN C 53 ? NAG C 204 ? 1_555 ASN C 53 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +2 NAG AB . ? ASN F 74 ? NAG F 205 ? 1_555 ASN F 74 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +3 NAG BA . ? ASN C 74 ? NAG C 205 ? 1_555 ASN C 74 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +4 NAG G . ? ASN C 19 ? NAG G 1 ? 1_555 ASN C 19 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +5 NAG WA . ? ASN F 19 ? NAG F 201 ? 1_555 ASN F 19 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +6 NAG X . ? ASN C 87 ? NAG C 201 ? 1_555 ASN C 87 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +7 NAG XA . ? ASN F 87 ? NAG F 202 ? 1_555 ASN F 87 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +8 NAG Y . ? ASN C 111 ? NAG C 202 ? 1_555 ASN C 111 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +9 NAG YA . ? ASN F 111 ? NAG F 203 ? 1_555 ASN F 111 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +10 NAG ZA . ? ASN F 53 ? NAG F 204 ? 1_555 ASN F 53 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate +11 CYS A 22 ? CYS A 96 ? CYS A 22 ? 1_555 CYS A 92 ? 1_555 SG SG . . . None 'Disulfide bridge' +12 CYS A 143 ? CYS A 199 ? CYS A 139 ? 1_555 CYS A 195 ? 1_555 SG SG . . . None 'Disulfide bridge' +13 CYS B 23 ? CYS B 94 ? CYS B 23 ? 1_555 CYS B 88 ? 1_555 SG SG . . . None 'Disulfide bridge' +14 CYS B 140 ? CYS B 200 ? CYS B 134 ? 1_555 CYS B 194 ? 1_555 SG SG . . . None 'Disulfide bridge' +15 CYS C 22 ? CYS C 94 ? CYS C 22 ? 1_555 CYS C 94 ? 1_555 SG SG . . . None 'Disulfide bridge' +16 CYS C 48 ? CYS C 68 ? CYS C 48 ? 1_555 CYS C 68 ? 1_555 SG SG . . . None 'Disulfide bridge' +17 CYS D 22 ? CYS D 96 ? CYS D 22 ? 1_555 CYS D 92 ? 1_555 SG SG . . . None 'Disulfide bridge' +18 CYS D 143 ? CYS D 199 ? CYS D 139 ? 1_555 CYS D 195 ? 1_555 SG SG . . . None 'Disulfide bridge' +19 CYS E 23 ? CYS E 94 ? CYS E 23 ? 1_555 CYS E 88 ? 1_555 SG SG . . . None 'Disulfide bridge' +20 CYS E 140 ? CYS E 200 ? CYS E 134 ? 1_555 CYS E 194 ? 1_555 SG SG . . . None 'Disulfide bridge' +21 CYS F 22 ? CYS F 94 ? CYS F 22 ? 1_555 CYS F 94 ? 1_555 SG SG . . . None 'Disulfide bridge' +22 CYS F 48 ? CYS F 68 ? CYS F 48 ? 1_555 CYS F 68 ? 1_555 SG SG . . . None 'Disulfide bridge' +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 PHE 149 A . ? PHE 145 A PRO 150 A ? PRO 146 A 1 -11.97 +2 GLU 151 A . ? GLU 147 A PRO 152 A ? PRO 148 A 1 12.37 +3 SER 7 B . ? SER 7 B PRO 8 B ? PRO 8 B 1 -4.35 +4 PRO 100 B . ? PRO 94 B PRO 101 B ? PRO 95 B 1 2.04 +5 TYR 146 B . ? TYR 140 B PRO 147 B ? PRO 141 B 1 2.85 +6 TYR 100 C . ? TYR 100 C PRO 101 C ? PRO 101 C 1 -6.97 +7 PRO 102 C . ? PRO 102 C PRO 103 C ? PRO 103 C 1 1.17 +8 PHE 149 D . ? PHE 145 D PRO 150 D ? PRO 146 D 1 -5.74 +9 GLU 151 D . ? GLU 147 D PRO 152 D ? PRO 148 D 1 5.64 +10 SER 7 E . ? SER 7 E PRO 8 E ? PRO 8 E 1 -4.11 +11 PRO 100 E . ? PRO 94 E PRO 101 E ? PRO 95 E 1 2.14 +12 TYR 146 E . ? TYR 140 E PRO 147 E ? PRO 141 E 1 -0.15 +13 TYR 100 F . ? TYR 100 F PRO 101 F ? PRO 101 F 1 -4.67 +14 PRO 102 F . ? PRO 102 F PRO 103 F ? PRO 103 F 1 -1.15 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +AA1 ? 4 ? +AA2 ? 6 ? +AA3 ? 4 ? +AA4 ? 4 ? +AA5 ? 4 ? +AA6 ? 3 ? +AA7 ? 4 ? +AA8 ? 6 ? +AA9 ? 4 ? +AB1 ? 4 ? +AB2 ? 4 ? +AB3 ? 4 ? +AB4 ? 6 ? +AB5 ? 4 ? +AB6 ? 4 ? +AB7 ? 6 ? +AB8 ? 4 ? +AB9 ? 4 ? +AC1 ? 4 ? +AC2 ? 3 ? +AC3 ? 4 ? +AC4 ? 6 ? +AC5 ? 4 ? +AC6 ? 4 ? +AC7 ? 4 ? +AC8 ? 4 ? +AC9 ? 6 ? +AD1 ? 4 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +AA1 1 2 ? anti-parallel +AA1 2 3 ? anti-parallel +AA1 3 4 ? anti-parallel +AA2 1 2 ? parallel +AA2 2 3 ? anti-parallel +AA2 3 4 ? anti-parallel +AA2 4 5 ? anti-parallel +AA2 5 6 ? anti-parallel +AA3 1 2 ? parallel +AA3 2 3 ? anti-parallel +AA3 3 4 ? anti-parallel +AA4 1 2 ? anti-parallel +AA4 2 3 ? anti-parallel +AA4 3 4 ? anti-parallel +AA5 1 2 ? anti-parallel +AA5 2 3 ? anti-parallel +AA5 3 4 ? anti-parallel +AA6 1 2 ? anti-parallel +AA6 2 3 ? anti-parallel +AA7 1 2 ? anti-parallel +AA7 2 3 ? anti-parallel +AA7 3 4 ? anti-parallel +AA8 1 2 ? parallel +AA8 2 3 ? anti-parallel +AA8 3 4 ? anti-parallel +AA8 4 5 ? anti-parallel +AA8 5 6 ? anti-parallel +AA9 1 2 ? parallel +AA9 2 3 ? anti-parallel +AA9 3 4 ? anti-parallel +AB1 1 2 ? anti-parallel +AB1 2 3 ? anti-parallel +AB1 3 4 ? anti-parallel +AB2 1 2 ? anti-parallel +AB2 2 3 ? anti-parallel +AB2 3 4 ? anti-parallel +AB3 1 2 ? anti-parallel +AB3 2 3 ? anti-parallel +AB3 3 4 ? anti-parallel +AB4 1 2 ? parallel +AB4 2 3 ? anti-parallel +AB4 3 4 ? anti-parallel +AB4 4 5 ? anti-parallel +AB4 5 6 ? anti-parallel +AB5 1 2 ? parallel +AB5 2 3 ? anti-parallel +AB5 3 4 ? anti-parallel +AB6 1 2 ? anti-parallel +AB6 2 3 ? anti-parallel +AB6 3 4 ? anti-parallel +AB7 1 2 ? parallel +AB7 2 3 ? anti-parallel +AB7 3 4 ? anti-parallel +AB7 4 5 ? anti-parallel +AB7 5 6 ? anti-parallel +AB8 1 2 ? parallel +AB8 2 3 ? anti-parallel +AB8 3 4 ? anti-parallel +AB9 1 2 ? anti-parallel +AB9 2 3 ? anti-parallel +AB9 3 4 ? anti-parallel +AC1 1 2 ? anti-parallel +AC1 2 3 ? anti-parallel +AC1 3 4 ? anti-parallel +AC2 1 2 ? anti-parallel +AC2 2 3 ? anti-parallel +AC3 1 2 ? anti-parallel +AC3 2 3 ? anti-parallel +AC3 3 4 ? anti-parallel +AC4 1 2 ? parallel +AC4 2 3 ? anti-parallel +AC4 3 4 ? anti-parallel +AC4 4 5 ? anti-parallel +AC4 5 6 ? anti-parallel +AC5 1 2 ? parallel +AC5 2 3 ? anti-parallel +AC5 3 4 ? anti-parallel +AC6 1 2 ? anti-parallel +AC6 2 3 ? anti-parallel +AC6 3 4 ? anti-parallel +AC7 1 2 ? anti-parallel +AC7 2 3 ? anti-parallel +AC7 3 4 ? anti-parallel +AC8 1 2 ? anti-parallel +AC8 2 3 ? anti-parallel +AC8 3 4 ? anti-parallel +AC9 1 2 ? parallel +AC9 2 3 ? anti-parallel +AC9 3 4 ? anti-parallel +AC9 4 5 ? anti-parallel +AC9 5 6 ? anti-parallel +AD1 1 2 ? parallel +AD1 2 3 ? anti-parallel +AD1 3 4 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +AA1 1 GLN A 3 ? SER A 7 ? GLN A 3 SER A 7 +AA1 2 LEU A 18 ? SER A 25 ? LEU A 18 SER A 25 +AA1 3 THR A 78 ? MET A 83 ? THR A 77 MET A 82 +AA1 4 PHE A 68 ? ASP A 73 ? PHE A 67 ASP A 72 +AA2 1 GLY A 10 ? VAL A 12 ? GLY A 10 VAL A 12 +AA2 2 THR A 110 ? VAL A 114 ? THR A 106 VAL A 110 +AA2 3 ALA A 92 ? SER A 99 ? ALA A 88 SER A 95 +AA2 4 MET A 34 ? GLN A 39 ? MET A 34 GLN A 39 +AA2 5 LEU A 45 ? ILE A 51 ? LEU A 45 ILE A 51 +AA2 6 THR A 58 ? TYR A 60 ? THR A 57 TYR A 59 +AA3 1 GLY A 10 ? VAL A 12 ? GLY A 10 VAL A 12 +AA3 2 THR A 110 ? VAL A 114 ? THR A 106 VAL A 110 +AA3 3 ALA A 92 ? SER A 99 ? ALA A 88 SER A 95 +AA3 4 PHE A 103 ? TRP A 106 ? PHE A 99 TRP A 102 +AA4 1 SER A 123 ? LEU A 127 ? SER A 119 LEU A 123 +AA4 2 THR A 138 ? TYR A 148 ? THR A 134 TYR A 144 +AA4 3 TYR A 179 ? PRO A 188 ? TYR A 175 PRO A 184 +AA4 4 VAL A 166 ? THR A 168 ? VAL A 162 THR A 164 +AA5 1 SER A 123 ? LEU A 127 ? SER A 119 LEU A 123 +AA5 2 THR A 138 ? TYR A 148 ? THR A 134 TYR A 144 +AA5 3 TYR A 179 ? PRO A 188 ? TYR A 175 PRO A 184 +AA5 4 VAL A 172 ? LEU A 173 ? VAL A 168 LEU A 169 +AA6 1 THR A 154 ? TRP A 157 ? THR A 150 TRP A 153 +AA6 2 TYR A 197 ? HIS A 203 ? TYR A 193 HIS A 199 +AA6 3 THR A 208 ? VAL A 214 ? THR A 204 VAL A 210 +AA7 1 MET B 4 ? SER B 7 ? MET B 4 SER B 7 +AA7 2 ALA B 19 ? SER B 25 ? ALA B 19 SER B 25 +AA7 3 ASP B 76 ? ILE B 81 ? ASP B 70 ILE B 75 +AA7 4 PHE B 68 ? SER B 73 ? PHE B 62 SER B 67 +AA8 1 SER B 10 ? SER B 14 ? SER B 10 SER B 14 +AA8 2 THR B 108 ? LYS B 113 ? THR B 102 LYS B 107 +AA8 3 VAL B 91 ? GLN B 96 ? VAL B 85 GLN B 90 +AA8 4 LEU B 39 ? GLN B 44 ? LEU B 33 GLN B 38 +AA8 5 LYS B 51 ? TYR B 55 ? LYS B 45 TYR B 49 +AA8 6 THR B 59 ? ARG B 60 ? THR B 53 ARG B 54 +AA9 1 SER B 10 ? SER B 14 ? SER B 10 SER B 14 +AA9 2 THR B 108 ? LYS B 113 ? THR B 102 LYS B 107 +AA9 3 VAL B 91 ? GLN B 96 ? VAL B 85 GLN B 90 +AA9 4 THR B 103 ? PHE B 104 ? THR B 97 PHE B 98 +AB1 1 SER B 120 ? PHE B 124 ? SER B 114 PHE B 118 +AB1 2 THR B 135 ? PHE B 145 ? THR B 129 PHE B 139 +AB1 3 TYR B 179 ? SER B 188 ? TYR B 173 SER B 182 +AB1 4 SER B 165 ? GLN B 166 ? SER B 159 GLN B 160 +AB2 1 ALA B 159 ? LEU B 160 ? ALA B 153 LEU B 154 +AB2 2 LYS B 151 ? VAL B 156 ? LYS B 145 VAL B 150 +AB2 3 VAL B 197 ? THR B 203 ? VAL B 191 THR B 197 +AB2 4 VAL B 211 ? ASN B 216 ? VAL B 205 ASN B 210 +AB3 1 VAL C 5 ? LYS C 6 ? VAL C 5 LYS C 6 +AB3 2 VAL C 18 ? TYR C 24 ? VAL C 18 TYR C 24 +AB3 3 SER C 76 ? GLN C 82 ? SER C 76 GLN C 82 +AB3 4 ASN C 67 ? LEU C 72 ? ASN C 67 LEU C 72 +AB4 1 MET C 10 ? ALA C 13 ? MET C 10 ALA C 13 +AB4 2 THR C 113 ? VAL C 117 ? THR C 113 VAL C 117 +AB4 3 ASP C 90 ? TYR C 100 ? ASP C 90 TYR C 100 +AB4 4 GLU C 32 ? LYS C 39 ? GLU C 32 LYS C 39 +AB4 5 VAL C 45 ? GLY C 52 ? VAL C 45 GLY C 52 +AB4 6 LEU C 58 ? SER C 62 ? LEU C 58 SER C 62 +AB5 1 MET C 10 ? ALA C 13 ? MET C 10 ALA C 13 +AB5 2 THR C 113 ? VAL C 117 ? THR C 113 VAL C 117 +AB5 3 ASP C 90 ? TYR C 100 ? ASP C 90 TYR C 100 +AB5 4 LEU C 105 ? ASP C 106 ? LEU C 105 ASP C 106 +AB6 1 GLN D 3 ? SER D 7 ? GLN D 3 SER D 7 +AB6 2 LEU D 18 ? SER D 25 ? LEU D 18 SER D 25 +AB6 3 THR D 78 ? MET D 83 ? THR D 77 MET D 82 +AB6 4 PHE D 68 ? ASP D 73 ? PHE D 67 ASP D 72 +AB7 1 GLY D 10 ? VAL D 12 ? GLY D 10 VAL D 12 +AB7 2 THR D 110 ? VAL D 114 ? THR D 106 VAL D 110 +AB7 3 ALA D 92 ? SER D 99 ? ALA D 88 SER D 95 +AB7 4 MET D 34 ? GLN D 39 ? MET D 34 GLN D 39 +AB7 5 LEU D 45 ? ILE D 51 ? LEU D 45 ILE D 51 +AB7 6 THR D 58 ? TYR D 60 ? THR D 57 TYR D 59 +AB8 1 GLY D 10 ? VAL D 12 ? GLY D 10 VAL D 12 +AB8 2 THR D 110 ? VAL D 114 ? THR D 106 VAL D 110 +AB8 3 ALA D 92 ? SER D 99 ? ALA D 88 SER D 95 +AB8 4 PHE D 103 ? TRP D 106 ? PHE D 99 TRP D 102 +AB9 1 SER D 123 ? LEU D 127 ? SER D 119 LEU D 123 +AB9 2 THR D 138 ? TYR D 148 ? THR D 134 TYR D 144 +AB9 3 TYR D 179 ? PRO D 188 ? TYR D 175 PRO D 184 +AB9 4 VAL D 166 ? THR D 168 ? VAL D 162 THR D 164 +AC1 1 SER D 123 ? LEU D 127 ? SER D 119 LEU D 123 +AC1 2 THR D 138 ? TYR D 148 ? THR D 134 TYR D 144 +AC1 3 TYR D 179 ? PRO D 188 ? TYR D 175 PRO D 184 +AC1 4 VAL D 172 ? LEU D 173 ? VAL D 168 LEU D 169 +AC2 1 THR D 154 ? TRP D 157 ? THR D 150 TRP D 153 +AC2 2 TYR D 197 ? HIS D 203 ? TYR D 193 HIS D 199 +AC2 3 THR D 208 ? VAL D 214 ? THR D 204 VAL D 210 +AC3 1 MET E 4 ? SER E 7 ? MET E 4 SER E 7 +AC3 2 ALA E 19 ? SER E 25 ? ALA E 19 SER E 25 +AC3 3 ASP E 76 ? ILE E 81 ? ASP E 70 ILE E 75 +AC3 4 PHE E 68 ? SER E 73 ? PHE E 62 SER E 67 +AC4 1 SER E 10 ? SER E 14 ? SER E 10 SER E 14 +AC4 2 THR E 108 ? LYS E 113 ? THR E 102 LYS E 107 +AC4 3 VAL E 91 ? GLN E 96 ? VAL E 85 GLN E 90 +AC4 4 LEU E 39 ? GLN E 44 ? LEU E 33 GLN E 38 +AC4 5 LYS E 51 ? TYR E 55 ? LYS E 45 TYR E 49 +AC4 6 THR E 59 ? ARG E 60 ? THR E 53 ARG E 54 +AC5 1 SER E 10 ? SER E 14 ? SER E 10 SER E 14 +AC5 2 THR E 108 ? LYS E 113 ? THR E 102 LYS E 107 +AC5 3 VAL E 91 ? GLN E 96 ? VAL E 85 GLN E 90 +AC5 4 THR E 103 ? PHE E 104 ? THR E 97 PHE E 98 +AC6 1 SER E 120 ? PHE E 124 ? SER E 114 PHE E 118 +AC6 2 THR E 135 ? PHE E 145 ? THR E 129 PHE E 139 +AC6 3 TYR E 179 ? SER E 188 ? TYR E 173 SER E 182 +AC6 4 SER E 165 ? GLN E 166 ? SER E 159 GLN E 160 +AC7 1 ALA E 159 ? LEU E 160 ? ALA E 153 LEU E 154 +AC7 2 LYS E 151 ? VAL E 156 ? LYS E 145 VAL E 150 +AC7 3 VAL E 197 ? THR E 203 ? VAL E 191 THR E 197 +AC7 4 VAL E 211 ? ASN E 216 ? VAL E 205 ASN E 210 +AC8 1 VAL F 5 ? LYS F 6 ? VAL F 5 LYS F 6 +AC8 2 VAL F 18 ? TYR F 24 ? VAL F 18 TYR F 24 +AC8 3 SER F 76 ? GLN F 82 ? SER F 76 GLN F 82 +AC8 4 ASN F 67 ? LEU F 72 ? ASN F 67 LEU F 72 +AC9 1 MET F 10 ? ALA F 13 ? MET F 10 ALA F 13 +AC9 2 THR F 113 ? VAL F 117 ? THR F 113 VAL F 117 +AC9 3 ASP F 90 ? TYR F 100 ? ASP F 90 TYR F 100 +AC9 4 GLU F 32 ? LYS F 39 ? GLU F 32 LYS F 39 +AC9 5 VAL F 45 ? GLY F 52 ? VAL F 45 GLY F 52 +AC9 6 LEU F 58 ? TYR F 61 ? LEU F 58 TYR F 61 +AD1 1 MET F 10 ? ALA F 13 ? MET F 10 ALA F 13 +AD1 2 THR F 113 ? VAL F 117 ? THR F 113 VAL F 117 +AD1 3 ASP F 90 ? TYR F 100 ? ASP F 90 TYR F 100 +AD1 4 LEU F 105 ? ASP F 106 ? LEU F 105 ASP F 106 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +AA1 1 2 N LEU A 5 ? N LEU A 5 O ALA A 23 ? O ALA A 23 +AA1 2 3 N LEU A 18 ? N LEU A 18 O MET A 83 ? O MET A 82 +AA1 3 4 O TYR A 80 ? O TYR A 79 N SER A 71 ? N SER A 70 +AA2 1 2 N GLY A 10 ? N GLY A 10 O THR A 113 ? O THR A 109 +AA2 2 3 O THR A 110 ? O THR A 106 N TYR A 94 ? N TYR A 90 +AA2 3 4 O TYR A 95 ? O TYR A 91 N VAL A 37 ? N VAL A 37 +AA2 4 5 N ARG A 38 ? N ARG A 38 O GLU A 46 ? O GLU A 46 +AA2 5 6 N ALA A 50 ? N ALA A 50 O TYR A 59 ? O TYR A 58 +AA3 1 2 N GLY A 10 ? N GLY A 10 O THR A 113 ? O THR A 109 +AA3 2 3 O THR A 110 ? O THR A 106 N TYR A 94 ? N TYR A 90 +AA3 3 4 N LYS A 98 ? N LYS A 94 O TYR A 105 ? O TYR A 101 +AA4 1 2 N LEU A 127 ? N LEU A 123 O GLY A 142 ? O GLY A 138 +AA4 2 3 N VAL A 145 ? N VAL A 141 O LEU A 181 ? O LEU A 177 +AA4 3 4 O VAL A 184 ? O VAL A 180 N HIS A 167 ? N HIS A 163 +AA5 1 2 N LEU A 127 ? N LEU A 123 O GLY A 142 ? O GLY A 138 +AA5 2 3 N VAL A 145 ? N VAL A 141 O LEU A 181 ? O LEU A 177 +AA5 3 4 O SER A 180 ? O SER A 176 N VAL A 172 ? N VAL A 168 +AA6 1 2 N SER A 156 ? N SER A 152 O ASN A 200 ? O ASN A 196 +AA6 2 3 N VAL A 201 ? N VAL A 197 O VAL A 210 ? O VAL A 206 +AA7 1 2 N THR B 5 ? N THR B 5 O LYS B 24 ? O LYS B 24 +AA7 2 3 N ILE B 21 ? N ILE B 21 O LEU B 79 ? O LEU B 73 +AA7 3 4 O THR B 78 ? O THR B 72 N SER B 71 ? N SER B 65 +AA8 1 2 N LEU B 11 ? N LEU B 11 O LYS B 109 ? O LYS B 103 +AA8 2 3 O THR B 108 ? O THR B 102 N TYR B 92 ? N TYR B 86 +AA8 3 4 O GLN B 95 ? O GLN B 89 N ALA B 40 ? N ALA B 34 +AA8 4 5 N TRP B 41 ? N TRP B 35 O LEU B 53 ? O LEU B 47 +AA8 5 6 N TYR B 55 ? N TYR B 49 O THR B 59 ? O THR B 53 +AA9 1 2 N LEU B 11 ? N LEU B 11 O LYS B 109 ? O LYS B 103 +AA9 2 3 O THR B 108 ? O THR B 102 N TYR B 92 ? N TYR B 86 +AA9 3 4 N GLN B 96 ? N GLN B 90 O THR B 103 ? O THR B 97 +AB1 1 2 N PHE B 122 ? N PHE B 116 O LEU B 141 ? O LEU B 135 +AB1 2 3 N CYS B 140 ? N CYS B 134 O SER B 183 ? O SER B 177 +AB1 3 4 O THR B 184 ? O THR B 178 N GLN B 166 ? N GLN B 160 +AB2 1 2 O ALA B 159 ? O ALA B 153 N VAL B 156 ? N VAL B 150 +AB2 2 3 N LYS B 151 ? N LYS B 145 O THR B 203 ? O THR B 197 +AB2 3 4 N VAL B 202 ? N VAL B 196 O VAL B 211 ? O VAL B 205 +AB3 1 2 N LYS C 6 ? N LYS C 6 O LYS C 23 ? O LYS C 23 +AB3 2 3 N LEU C 20 ? N LEU C 20 O PHE C 79 ? O PHE C 79 +AB3 3 4 O TYR C 80 ? O TYR C 80 N ASP C 69 ? N ASP C 69 +AB4 1 2 N LEU C 11 ? N LEU C 11 O ILE C 114 ? O ILE C 114 +AB4 2 3 O ILE C 115 ? O ILE C 115 N ASP C 90 ? N ASP C 90 +AB4 3 4 O PHE C 93 ? O PHE C 93 N HIS C 38 ? N HIS C 38 +AB4 4 5 N ALA C 35 ? N ALA C 35 O VAL C 50 ? O VAL C 50 +AB4 5 6 N VAL C 49 ? N VAL C 49 O TYR C 61 ? O TYR C 61 +AB5 1 2 N LEU C 11 ? N LEU C 11 O ILE C 114 ? O ILE C 114 +AB5 2 3 O ILE C 115 ? O ILE C 115 N ASP C 90 ? N ASP C 90 +AB5 3 4 N VAL C 98 ? N VAL C 98 O LEU C 105 ? O LEU C 105 +AB6 1 2 N LEU D 5 ? N LEU D 5 O ALA D 23 ? O ALA D 23 +AB6 2 3 N LEU D 20 ? N LEU D 20 O LEU D 81 ? O LEU D 80 +AB6 3 4 O GLN D 82 ? O GLN D 81 N THR D 69 ? N THR D 68 +AB7 1 2 N GLY D 10 ? N GLY D 10 O THR D 113 ? O THR D 109 +AB7 2 3 O THR D 110 ? O THR D 106 N TYR D 94 ? N TYR D 90 +AB7 3 4 O TYR D 95 ? O TYR D 91 N VAL D 37 ? N VAL D 37 +AB7 4 5 N ARG D 38 ? N ARG D 38 O GLU D 46 ? O GLU D 46 +AB7 5 6 N ALA D 50 ? N ALA D 50 O TYR D 59 ? O TYR D 58 +AB8 1 2 N GLY D 10 ? N GLY D 10 O THR D 113 ? O THR D 109 +AB8 2 3 O THR D 110 ? O THR D 106 N TYR D 94 ? N TYR D 90 +AB8 3 4 N LYS D 98 ? N LYS D 94 O TYR D 105 ? O TYR D 101 +AB9 1 2 N SER D 123 ? N SER D 119 O LYS D 146 ? O LYS D 142 +AB9 2 3 N TYR D 148 ? N TYR D 144 O TYR D 179 ? O TYR D 175 +AB9 3 4 O VAL D 184 ? O VAL D 180 N HIS D 167 ? N HIS D 163 +AC1 1 2 N SER D 123 ? N SER D 119 O LYS D 146 ? O LYS D 142 +AC1 2 3 N TYR D 148 ? N TYR D 144 O TYR D 179 ? O TYR D 175 +AC1 3 4 O SER D 180 ? O SER D 176 N VAL D 172 ? N VAL D 168 +AC2 1 2 N SER D 156 ? N SER D 152 O ASN D 200 ? O ASN D 196 +AC2 2 3 N VAL D 201 ? N VAL D 197 O VAL D 210 ? O VAL D 206 +AC3 1 2 N THR E 5 ? N THR E 5 O LYS E 24 ? O LYS E 24 +AC3 2 3 N ILE E 21 ? N ILE E 21 O LEU E 79 ? O LEU E 73 +AC3 3 4 O THR E 78 ? O THR E 72 N SER E 71 ? N SER E 65 +AC4 1 2 N LEU E 11 ? N LEU E 11 O LYS E 109 ? O LYS E 103 +AC4 2 3 O THR E 108 ? O THR E 102 N TYR E 92 ? N TYR E 86 +AC4 3 4 O GLN E 95 ? O GLN E 89 N ALA E 40 ? N ALA E 34 +AC4 4 5 N TRP E 41 ? N TRP E 35 O LEU E 53 ? O LEU E 47 +AC4 5 6 N TYR E 55 ? N TYR E 49 O THR E 59 ? O THR E 53 +AC5 1 2 N LEU E 11 ? N LEU E 11 O LYS E 109 ? O LYS E 103 +AC5 2 3 O THR E 108 ? O THR E 102 N TYR E 92 ? N TYR E 86 +AC5 3 4 N GLN E 96 ? N GLN E 90 O THR E 103 ? O THR E 97 +AC6 1 2 N PHE E 122 ? N PHE E 116 O LEU E 141 ? O LEU E 135 +AC6 2 3 N PHE E 145 ? N PHE E 139 O TYR E 179 ? O TYR E 173 +AC6 3 4 O THR E 184 ? O THR E 178 N GLN E 166 ? N GLN E 160 +AC7 1 2 O ALA E 159 ? O ALA E 153 N VAL E 156 ? N VAL E 150 +AC7 2 3 N LYS E 151 ? N LYS E 145 O THR E 203 ? O THR E 197 +AC7 3 4 N VAL E 202 ? N VAL E 196 O VAL E 211 ? O VAL E 205 +AC8 1 2 N LYS F 6 ? N LYS F 6 O LYS F 23 ? O LYS F 23 +AC8 2 3 N LEU F 20 ? N LEU F 20 O PHE F 79 ? O PHE F 79 +AC8 3 4 O TYR F 80 ? O TYR F 80 N ASP F 69 ? N ASP F 69 +AC9 1 2 N LEU F 11 ? N LEU F 11 O ILE F 114 ? O ILE F 114 +AC9 2 3 O ILE F 115 ? O ILE F 115 N ASP F 90 ? N ASP F 90 +AC9 3 4 O PHE F 93 ? O PHE F 93 N HIS F 38 ? N HIS F 38 +AC9 4 5 N ALA F 35 ? N ALA F 35 O VAL F 50 ? O VAL F 50 +AC9 5 6 N VAL F 49 ? N VAL F 49 O TYR F 61 ? O TYR F 61 +AD1 1 2 N LEU F 11 ? N LEU F 11 O ILE F 114 ? O ILE F 114 +AD1 2 3 O ILE F 115 ? O ILE F 115 N ASP F 90 ? N ASP F 90 +AD1 3 4 N VAL F 98 ? N VAL F 98 O LEU F 105 ? O LEU F 105 +# +_pdbx_entry_details.entry_id 8S6Z +_pdbx_entry_details.has_ligand_of_interest N +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.has_protein_modification Y +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 OE1 E GLU 96 ? ? OH F TYR 100 ? ? 2.16 +2 1 OD2 D ASP 100 ? ? O D HOH 401 ? ? 2.18 +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 N A PRO 148 ? ? CA A PRO 148 ? ? CB A PRO 148 ? ? 92.00 102.60 -10.60 1.10 N +2 1 NE B ARG 54 ? ? CZ B ARG 54 ? ? NH1 B ARG 54 ? ? 116.48 120.30 -3.82 0.50 N +3 1 N D PRO 148 ? ? CA D PRO 148 ? ? CB D PRO 148 ? ? 93.13 102.60 -9.47 1.10 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 TYR A 96 ? ? -169.78 92.66 +2 1 ALA A 98 ? ? -164.29 -169.24 +3 1 SER A 126 ? ? -106.16 -163.00 +4 1 SER A 131 ? ? -167.69 96.10 +5 1 ASP A 143 ? ? 54.23 76.11 +6 1 THR A 190 ? ? -141.80 -3.17 +7 1 ALA B 51 ? ? 75.44 -45.16 +8 1 GLU B 81 ? ? -66.49 7.89 +9 1 SER B 171 ? ? 72.09 31.34 +10 1 SER C 25 ? ? -102.31 51.33 +11 1 SER C 55 ? ? -89.56 31.95 +12 1 ASN C 74 ? ? 61.56 -101.92 +13 1 LYS C 109 ? ? -29.74 115.22 +14 1 TYR D 96 ? ? -164.11 91.48 +15 1 SER D 126 ? ? -103.90 -165.13 +16 1 SER D 131 ? ? -161.72 90.34 +17 1 ASP D 143 ? ? 53.89 77.00 +18 1 LEU E 47 ? ? -108.62 -60.12 +19 1 ALA E 51 ? ? 73.70 -44.34 +20 1 GLU E 81 ? ? -64.13 2.72 +21 1 SER E 171 ? ? 71.01 32.12 +22 1 LYS E 190 ? ? -106.07 -60.52 +23 1 GLU E 213 ? ? -150.29 -149.53 +24 1 SER F 25 ? ? -101.53 46.75 +25 1 ASN F 74 ? ? 68.25 -102.11 +26 1 GLU F 75 ? ? -105.22 40.40 +27 1 LYS F 109 ? ? -39.30 119.12 +# +loop_ +_pdbx_refine_tls.id +_pdbx_refine_tls.pdbx_refine_id +_pdbx_refine_tls.details +_pdbx_refine_tls.method +_pdbx_refine_tls.origin_x +_pdbx_refine_tls.origin_y +_pdbx_refine_tls.origin_z +_pdbx_refine_tls.T[1][1] +_pdbx_refine_tls.T[1][1]_esd +_pdbx_refine_tls.T[1][2] +_pdbx_refine_tls.T[1][2]_esd +_pdbx_refine_tls.T[1][3] +_pdbx_refine_tls.T[1][3]_esd +_pdbx_refine_tls.T[2][2] +_pdbx_refine_tls.T[2][2]_esd +_pdbx_refine_tls.T[2][3] +_pdbx_refine_tls.T[2][3]_esd +_pdbx_refine_tls.T[3][3] +_pdbx_refine_tls.T[3][3]_esd +_pdbx_refine_tls.L[1][1] +_pdbx_refine_tls.L[1][1]_esd +_pdbx_refine_tls.L[1][2] +_pdbx_refine_tls.L[1][2]_esd +_pdbx_refine_tls.L[1][3] +_pdbx_refine_tls.L[1][3]_esd +_pdbx_refine_tls.L[2][2] +_pdbx_refine_tls.L[2][2]_esd +_pdbx_refine_tls.L[2][3] +_pdbx_refine_tls.L[2][3]_esd +_pdbx_refine_tls.L[3][3] +_pdbx_refine_tls.L[3][3]_esd +_pdbx_refine_tls.S[1][1] +_pdbx_refine_tls.S[1][1]_esd +_pdbx_refine_tls.S[1][2] +_pdbx_refine_tls.S[1][2]_esd +_pdbx_refine_tls.S[1][3] +_pdbx_refine_tls.S[1][3]_esd +_pdbx_refine_tls.S[2][1] +_pdbx_refine_tls.S[2][1]_esd +_pdbx_refine_tls.S[2][2] +_pdbx_refine_tls.S[2][2]_esd +_pdbx_refine_tls.S[2][3] +_pdbx_refine_tls.S[2][3]_esd +_pdbx_refine_tls.S[3][1] +_pdbx_refine_tls.S[3][1]_esd +_pdbx_refine_tls.S[3][2] +_pdbx_refine_tls.S[3][2]_esd +_pdbx_refine_tls.S[3][3] +_pdbx_refine_tls.S[3][3]_esd +1 'X-RAY DIFFRACTION' ? refined 18.9512 -9.6231 -27.0977 0.0546 ? 0.0036 ? 0.0620 ? 0.0337 ? 0.0002 ? 0.2314 ? 0.6313 ? +-0.6732 ? 0.5196 ? 2.4504 ? -1.7884 ? 4.4627 ? 0.0525 ? 0.0259 ? 0.0922 ? -0.0923 ? 0.1084 ? 0.1980 ? -0.1274 ? -0.3075 ? +-0.1609 ? +2 'X-RAY DIFFRACTION' ? refined 33.5936 -0.7706 -31.9535 0.1847 ? -0.0054 ? -0.0093 ? 0.0183 ? 0.0317 ? 0.2405 ? 0.6774 ? +-0.3160 ? 0.6921 ? 1.1699 ? -1.1217 ? 1.9469 ? -0.0386 ? 0.0108 ? 0.2014 ? 0.2146 ? -0.0826 ? -0.1693 ? -0.3260 ? 0.1057 ? +0.1211 ? +3 'X-RAY DIFFRACTION' ? refined 33.1666 -31.2059 10.9089 0.1656 ? 0.0733 ? -0.0506 ? 0.1139 ? -0.0518 ? 0.2216 ? 0.7791 ? 0.8909 +? -2.3997 ? 6.2928 ? -4.0211 ? 7.7904 ? 0.1095 ? -0.0399 ? -0.0700 ? 0.3055 ? -0.2380 ? -0.2223 ? -0.3347 ? 0.2482 ? 0.1286 ? +4 'X-RAY DIFFRACTION' ? refined 21.9338 -22.3846 -54.2006 0.1990 ? 0.0045 ? -0.0688 ? 0.0394 ? -0.0110 ? 0.1940 ? 2.2611 ? 1.2642 +? -1.9930 ? 2.6287 ? -2.4387 ? 3.0617 ? 0.0357 ? 0.1996 ? 0.1666 ? -0.0681 ? 0.1682 ? 0.3028 ? 0.2300 ? -0.2274 ? -0.2038 ? +5 'X-RAY DIFFRACTION' ? refined 32.7544 -33.4232 -45.7097 0.2400 ? 0.0639 ? 0.0267 ? 0.1118 ? 0.0107 ? 0.1259 ? 1.2317 ? 0.8283 +? -0.5240 ? 2.1393 ? -1.2115 ? 1.1264 ? 0.0732 ? 0.1495 ? -0.1834 ? -0.0836 ? -0.2795 ? -0.2561 ? 0.1431 ? 0.1085 ? 0.2064 ? +6 'X-RAY DIFFRACTION' ? refined 49.5484 -2.5876 -84.6164 0.0423 ? 0.0160 ? 0.0582 ? 0.1255 ? -0.0609 ? 0.1885 ? 1.0291 ? 0.0068 +? -0.1735 ? 5.7356 ? -2.6037 ? 6.0143 ? -0.0788 ? -0.2095 ? 0.0582 ? 0.0802 ? -0.0988 ? -0.1306 ? 0.2569 ? 0.3299 ? 0.1776 ? +# +_pdbx_refine_tls_group.id 1 +_pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine_tls_group.refine_tls_id 1 +_pdbx_refine_tls_group.beg_label_asym_id ? +_pdbx_refine_tls_group.beg_label_seq_id ? +_pdbx_refine_tls_group.beg_auth_asym_id Ap +_pdbx_refine_tls_group.beg_auth_seq_id 1 +_pdbx_refine_tls_group.beg_PDB_ins_code ? +_pdbx_refine_tls_group.end_label_asym_id ? +_pdbx_refine_tls_group.end_label_seq_id ? +_pdbx_refine_tls_group.end_auth_asym_id Ap +_pdbx_refine_tls_group.end_auth_seq_id 299 +_pdbx_refine_tls_group.end_PDB_ins_code ? +_pdbx_refine_tls_group.selection ALL +_pdbx_refine_tls_group.selection_details ? +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A SER 214 ? A SER 218 +2 1 Y 1 A CYS 215 ? A CYS 219 +3 1 Y 1 A ASP 216 ? A ASP 220 +4 1 Y 1 A LYS 217 ? A LYS 221 +5 1 Y 1 A THR 218 ? A THR 222 +6 1 Y 1 A HIS 219 ? A HIS 223 +7 1 Y 1 B CYS 214 ? B CYS 220 +8 1 Y 1 C GLY 119 ? C GLY 119 +9 1 Y 1 C LYS 120 ? C LYS 120 +10 1 Y 1 C HIS 121 ? C HIS 121 +11 1 Y 1 C LEU 122 ? C LEU 122 +12 1 Y 1 C CYS 123 ? C CYS 123 +13 1 Y 1 C PRO 124 ? C PRO 124 +14 1 Y 1 C SER 125 ? C SER 125 +15 1 Y 1 C PRO 126 ? C PRO 126 +16 1 Y 1 C LEU 127 ? C LEU 127 +17 1 Y 1 C PHE 128 ? C PHE 128 +18 1 Y 1 C PRO 129 ? C PRO 129 +19 1 Y 1 C GLY 130 ? C GLY 130 +20 1 Y 1 C PRO 131 ? C PRO 131 +21 1 Y 1 C SER 132 ? C SER 132 +22 1 Y 1 C LYS 133 ? C LYS 133 +23 1 Y 1 C PRO 134 ? C PRO 134 +24 1 Y 1 D CYS 215 ? D CYS 219 +25 1 Y 1 D ASP 216 ? D ASP 220 +26 1 Y 1 D LYS 217 ? D LYS 221 +27 1 Y 1 D THR 218 ? D THR 222 +28 1 Y 1 D HIS 219 ? D HIS 223 +29 1 Y 1 F GLY 119 ? F GLY 119 +30 1 Y 1 F LYS 120 ? F LYS 120 +31 1 Y 1 F HIS 121 ? F HIS 121 +32 1 Y 1 F LEU 122 ? F LEU 122 +33 1 Y 1 F CYS 123 ? F CYS 123 +34 1 Y 1 F PRO 124 ? F PRO 124 +35 1 Y 1 F SER 125 ? F SER 125 +36 1 Y 1 F PRO 126 ? F PRO 126 +37 1 Y 1 F LEU 127 ? F LEU 127 +38 1 Y 1 F PHE 128 ? F PHE 128 +39 1 Y 1 F PRO 129 ? F PRO 129 +40 1 Y 1 F GLY 130 ? F GLY 130 +41 1 Y 1 F PRO 131 ? F PRO 131 +42 1 Y 1 F SER 132 ? F SER 132 +43 1 Y 1 F LYS 133 ? F LYS 133 +44 1 Y 1 F PRO 134 ? F PRO 134 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +CYS N N N N 74 +CYS CA C N R 75 +CYS C C N N 76 +CYS O O N N 77 +CYS CB C N N 78 +CYS SG S N N 79 +CYS OXT O N N 80 +CYS H H N N 81 +CYS H2 H N N 82 +CYS HA H N N 83 +CYS HB2 H N N 84 +CYS HB3 H N N 85 +CYS HG H N N 86 +CYS HXT H N N 87 +GLN N N N N 88 +GLN CA C N S 89 +GLN C C N N 90 +GLN O O N N 91 +GLN CB C N N 92 +GLN CG C N N 93 +GLN CD C N N 94 +GLN OE1 O N N 95 +GLN NE2 N N N 96 +GLN OXT O N N 97 +GLN H H N N 98 +GLN H2 H N N 99 +GLN HA H N N 100 +GLN HB2 H N N 101 +GLN HB3 H N N 102 +GLN HG2 H N N 103 +GLN HG3 H N N 104 +GLN HE21 H N N 105 +GLN HE22 H N N 106 +GLN HXT H N N 107 +GLU N N N N 108 +GLU CA C N S 109 +GLU C C N N 110 +GLU O O N N 111 +GLU CB C N N 112 +GLU CG C N N 113 +GLU CD C N N 114 +GLU OE1 O N N 115 +GLU OE2 O N N 116 +GLU OXT O N N 117 +GLU H H N N 118 +GLU H2 H N N 119 +GLU HA H N N 120 +GLU HB2 H N N 121 +GLU HB3 H N N 122 +GLU HG2 H N N 123 +GLU HG3 H N N 124 +GLU HE2 H N N 125 +GLU HXT H N N 126 +GLY N N N N 127 +GLY CA C N N 128 +GLY C C N N 129 +GLY O O N N 130 +GLY OXT O N N 131 +GLY H H N N 132 +GLY H2 H N N 133 +GLY HA2 H N N 134 +GLY HA3 H N N 135 +GLY HXT H N N 136 +GOL C1 C N N 137 +GOL O1 O N N 138 +GOL C2 C N N 139 +GOL O2 O N N 140 +GOL C3 C N N 141 +GOL O3 O N N 142 +GOL H11 H N N 143 +GOL H12 H N N 144 +GOL HO1 H N N 145 +GOL H2 H N N 146 +GOL HO2 H N N 147 +GOL H31 H N N 148 +GOL H32 H N N 149 +GOL HO3 H N N 150 +HIS N N N N 151 +HIS CA C N S 152 +HIS C C N N 153 +HIS O O N N 154 +HIS CB C N N 155 +HIS CG C Y N 156 +HIS ND1 N Y N 157 +HIS CD2 C Y N 158 +HIS CE1 C Y N 159 +HIS NE2 N Y N 160 +HIS OXT O N N 161 +HIS H H N N 162 +HIS H2 H N N 163 +HIS HA H N N 164 +HIS HB2 H N N 165 +HIS HB3 H N N 166 +HIS HD1 H N N 167 +HIS HD2 H N N 168 +HIS HE1 H N N 169 +HIS HE2 H N N 170 +HIS HXT H N N 171 +HOH O O N N 172 +HOH H1 H N N 173 +HOH H2 H N N 174 +ILE N N N N 175 +ILE CA C N S 176 +ILE C C N N 177 +ILE O O N N 178 +ILE CB C N S 179 +ILE CG1 C N N 180 +ILE CG2 C N N 181 +ILE CD1 C N N 182 +ILE OXT O N N 183 +ILE H H N N 184 +ILE H2 H N N 185 +ILE HA H N N 186 +ILE HB H N N 187 +ILE HG12 H N N 188 +ILE HG13 H N N 189 +ILE HG21 H N N 190 +ILE HG22 H N N 191 +ILE HG23 H N N 192 +ILE HD11 H N N 193 +ILE HD12 H N N 194 +ILE HD13 H N N 195 +ILE HXT H N N 196 +IMD N1 N Y N 197 +IMD C2 C Y N 198 +IMD N3 N Y N 199 +IMD C4 C Y N 200 +IMD C5 C Y N 201 +IMD HN1 H N N 202 +IMD H2 H N N 203 +IMD HN3 H N N 204 +IMD H4 H N N 205 +IMD H5 H N N 206 +LEU N N N N 207 +LEU CA C N S 208 +LEU C C N N 209 +LEU O O N N 210 +LEU CB C N N 211 +LEU CG C N N 212 +LEU CD1 C N N 213 +LEU CD2 C N N 214 +LEU OXT O N N 215 +LEU H H N N 216 +LEU H2 H N N 217 +LEU HA H N N 218 +LEU HB2 H N N 219 +LEU HB3 H N N 220 +LEU HG H N N 221 +LEU HD11 H N N 222 +LEU HD12 H N N 223 +LEU HD13 H N N 224 +LEU HD21 H N N 225 +LEU HD22 H N N 226 +LEU HD23 H N N 227 +LEU HXT H N N 228 +LYS N N N N 229 +LYS CA C N S 230 +LYS C C N N 231 +LYS O O N N 232 +LYS CB C N N 233 +LYS CG C N N 234 +LYS CD C N N 235 +LYS CE C N N 236 +LYS NZ N N N 237 +LYS OXT O N N 238 +LYS H H N N 239 +LYS H2 H N N 240 +LYS HA H N N 241 +LYS HB2 H N N 242 +LYS HB3 H N N 243 +LYS HG2 H N N 244 +LYS HG3 H N N 245 +LYS HD2 H N N 246 +LYS HD3 H N N 247 +LYS HE2 H N N 248 +LYS HE3 H N N 249 +LYS HZ1 H N N 250 +LYS HZ2 H N N 251 +LYS HZ3 H N N 252 +LYS HXT H N N 253 +MET N N N N 254 +MET CA C N S 255 +MET C C N N 256 +MET O O N N 257 +MET CB C N N 258 +MET CG C N N 259 +MET SD S N N 260 +MET CE C N N 261 +MET OXT O N N 262 +MET H H N N 263 +MET H2 H N N 264 +MET HA H N N 265 +MET HB2 H N N 266 +MET HB3 H N N 267 +MET HG2 H N N 268 +MET HG3 H N N 269 +MET HE1 H N N 270 +MET HE2 H N N 271 +MET HE3 H N N 272 +MET HXT H N N 273 +NAG C1 C N R 274 +NAG C2 C N R 275 +NAG C3 C N R 276 +NAG C4 C N S 277 +NAG C5 C N R 278 +NAG C6 C N N 279 +NAG C7 C N N 280 +NAG C8 C N N 281 +NAG N2 N N N 282 +NAG O1 O N N 283 +NAG O3 O N N 284 +NAG O4 O N N 285 +NAG O5 O N N 286 +NAG O6 O N N 287 +NAG O7 O N N 288 +NAG H1 H N N 289 +NAG H2 H N N 290 +NAG H3 H N N 291 +NAG H4 H N N 292 +NAG H5 H N N 293 +NAG H61 H N N 294 +NAG H62 H N N 295 +NAG H81 H N N 296 +NAG H82 H N N 297 +NAG H83 H N N 298 +NAG HN2 H N N 299 +NAG HO1 H N N 300 +NAG HO3 H N N 301 +NAG HO4 H N N 302 +NAG HO6 H N N 303 +PHE N N N N 304 +PHE CA C N S 305 +PHE C C N N 306 +PHE O O N N 307 +PHE CB C N N 308 +PHE CG C Y N 309 +PHE CD1 C Y N 310 +PHE CD2 C Y N 311 +PHE CE1 C Y N 312 +PHE CE2 C Y N 313 +PHE CZ C Y N 314 +PHE OXT O N N 315 +PHE H H N N 316 +PHE H2 H N N 317 +PHE HA H N N 318 +PHE HB2 H N N 319 +PHE HB3 H N N 320 +PHE HD1 H N N 321 +PHE HD2 H N N 322 +PHE HE1 H N N 323 +PHE HE2 H N N 324 +PHE HZ H N N 325 +PHE HXT H N N 326 +PRO N N N N 327 +PRO CA C N S 328 +PRO C C N N 329 +PRO O O N N 330 +PRO CB C N N 331 +PRO CG C N N 332 +PRO CD C N N 333 +PRO OXT O N N 334 +PRO H H N N 335 +PRO HA H N N 336 +PRO HB2 H N N 337 +PRO HB3 H N N 338 +PRO HG2 H N N 339 +PRO HG3 H N N 340 +PRO HD2 H N N 341 +PRO HD3 H N N 342 +PRO HXT H N N 343 +SER N N N N 344 +SER CA C N S 345 +SER C C N N 346 +SER O O N N 347 +SER CB C N N 348 +SER OG O N N 349 +SER OXT O N N 350 +SER H H N N 351 +SER H2 H N N 352 +SER HA H N N 353 +SER HB2 H N N 354 +SER HB3 H N N 355 +SER HG H N N 356 +SER HXT H N N 357 +THR N N N N 358 +THR CA C N S 359 +THR C C N N 360 +THR O O N N 361 +THR CB C N R 362 +THR OG1 O N N 363 +THR CG2 C N N 364 +THR OXT O N N 365 +THR H H N N 366 +THR H2 H N N 367 +THR HA H N N 368 +THR HB H N N 369 +THR HG1 H N N 370 +THR HG21 H N N 371 +THR HG22 H N N 372 +THR HG23 H N N 373 +THR HXT H N N 374 +TRP N N N N 375 +TRP CA C N S 376 +TRP C C N N 377 +TRP O O N N 378 +TRP CB C N N 379 +TRP CG C Y N 380 +TRP CD1 C Y N 381 +TRP CD2 C Y N 382 +TRP NE1 N Y N 383 +TRP CE2 C Y N 384 +TRP CE3 C Y N 385 +TRP CZ2 C Y N 386 +TRP CZ3 C Y N 387 +TRP CH2 C Y N 388 +TRP OXT O N N 389 +TRP H H N N 390 +TRP H2 H N N 391 +TRP HA H N N 392 +TRP HB2 H N N 393 +TRP HB3 H N N 394 +TRP HD1 H N N 395 +TRP HE1 H N N 396 +TRP HE3 H N N 397 +TRP HZ2 H N N 398 +TRP HZ3 H N N 399 +TRP HH2 H N N 400 +TRP HXT H N N 401 +TYR N N N N 402 +TYR CA C N S 403 +TYR C C N N 404 +TYR O O N N 405 +TYR CB C N N 406 +TYR CG C Y N 407 +TYR CD1 C Y N 408 +TYR CD2 C Y N 409 +TYR CE1 C Y N 410 +TYR CE2 C Y N 411 +TYR CZ C Y N 412 +TYR OH O N N 413 +TYR OXT O N N 414 +TYR H H N N 415 +TYR H2 H N N 416 +TYR HA H N N 417 +TYR HB2 H N N 418 +TYR HB3 H N N 419 +TYR HD1 H N N 420 +TYR HD2 H N N 421 +TYR HE1 H N N 422 +TYR HE2 H N N 423 +TYR HH H N N 424 +TYR HXT H N N 425 +VAL N N N N 426 +VAL CA C N S 427 +VAL C C N N 428 +VAL O O N N 429 +VAL CB C N N 430 +VAL CG1 C N N 431 +VAL CG2 C N N 432 +VAL OXT O N N 433 +VAL H H N N 434 +VAL H2 H N N 435 +VAL HA H N N 436 +VAL HB H N N 437 +VAL HG11 H N N 438 +VAL HG12 H N N 439 +VAL HG13 H N N 440 +VAL HG21 H N N 441 +VAL HG22 H N N 442 +VAL HG23 H N N 443 +VAL HXT H N N 444 +ZN ZN ZN N N 445 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +ASP N CA sing N N 55 +ASP N H sing N N 56 +ASP N H2 sing N N 57 +ASP CA C sing N N 58 +ASP CA CB sing N N 59 +ASP CA HA sing N N 60 +ASP C O doub N N 61 +ASP C OXT sing N N 62 +ASP CB CG sing N N 63 +ASP CB HB2 sing N N 64 +ASP CB HB3 sing N N 65 +ASP CG OD1 doub N N 66 +ASP CG OD2 sing N N 67 +ASP OD2 HD2 sing N N 68 +ASP OXT HXT sing N N 69 +CYS N CA sing N N 70 +CYS N H sing N N 71 +CYS N H2 sing N N 72 +CYS CA C sing N N 73 +CYS CA CB sing N N 74 +CYS CA HA sing N N 75 +CYS C O doub N N 76 +CYS C OXT sing N N 77 +CYS CB SG sing N N 78 +CYS CB HB2 sing N N 79 +CYS CB HB3 sing N N 80 +CYS SG HG sing N N 81 +CYS OXT HXT sing N N 82 +GLN N CA sing N N 83 +GLN N H sing N N 84 +GLN N H2 sing N N 85 +GLN CA C sing N N 86 +GLN CA CB sing N N 87 +GLN CA HA sing N N 88 +GLN C O doub N N 89 +GLN C OXT sing N N 90 +GLN CB CG sing N N 91 +GLN CB HB2 sing N N 92 +GLN CB HB3 sing N N 93 +GLN CG CD sing N N 94 +GLN CG HG2 sing N N 95 +GLN CG HG3 sing N N 96 +GLN CD OE1 doub N N 97 +GLN CD NE2 sing N N 98 +GLN NE2 HE21 sing N N 99 +GLN NE2 HE22 sing N N 100 +GLN OXT HXT sing N N 101 +GLU N CA sing N N 102 +GLU N H sing N N 103 +GLU N H2 sing N N 104 +GLU CA C sing N N 105 +GLU CA CB sing N N 106 +GLU CA HA sing N N 107 +GLU C O doub N N 108 +GLU C OXT sing N N 109 +GLU CB CG sing N N 110 +GLU CB HB2 sing N N 111 +GLU CB HB3 sing N N 112 +GLU CG CD sing N N 113 +GLU CG HG2 sing N N 114 +GLU CG HG3 sing N N 115 +GLU CD OE1 doub N N 116 +GLU CD OE2 sing N N 117 +GLU OE2 HE2 sing N N 118 +GLU OXT HXT sing N N 119 +GLY N CA sing N N 120 +GLY N H sing N N 121 +GLY N H2 sing N N 122 +GLY CA C sing N N 123 +GLY CA HA2 sing N N 124 +GLY CA HA3 sing N N 125 +GLY C O doub N N 126 +GLY C OXT sing N N 127 +GLY OXT HXT sing N N 128 +GOL C1 O1 sing N N 129 +GOL C1 C2 sing N N 130 +GOL C1 H11 sing N N 131 +GOL C1 H12 sing N N 132 +GOL O1 HO1 sing N N 133 +GOL C2 O2 sing N N 134 +GOL C2 C3 sing N N 135 +GOL C2 H2 sing N N 136 +GOL O2 HO2 sing N N 137 +GOL C3 O3 sing N N 138 +GOL C3 H31 sing N N 139 +GOL C3 H32 sing N N 140 +GOL O3 HO3 sing N N 141 +HIS N CA sing N N 142 +HIS N H sing N N 143 +HIS N H2 sing N N 144 +HIS CA C sing N N 145 +HIS CA CB sing N N 146 +HIS CA HA sing N N 147 +HIS C O doub N N 148 +HIS C OXT sing N N 149 +HIS CB CG sing N N 150 +HIS CB HB2 sing N N 151 +HIS CB HB3 sing N N 152 +HIS CG ND1 sing Y N 153 +HIS CG CD2 doub Y N 154 +HIS ND1 CE1 doub Y N 155 +HIS ND1 HD1 sing N N 156 +HIS CD2 NE2 sing Y N 157 +HIS CD2 HD2 sing N N 158 +HIS CE1 NE2 sing Y N 159 +HIS CE1 HE1 sing N N 160 +HIS NE2 HE2 sing N N 161 +HIS OXT HXT sing N N 162 +HOH O H1 sing N N 163 +HOH O H2 sing N N 164 +ILE N CA sing N N 165 +ILE N H sing N N 166 +ILE N H2 sing N N 167 +ILE CA C sing N N 168 +ILE CA CB sing N N 169 +ILE CA HA sing N N 170 +ILE C O doub N N 171 +ILE C OXT sing N N 172 +ILE CB CG1 sing N N 173 +ILE CB CG2 sing N N 174 +ILE CB HB sing N N 175 +ILE CG1 CD1 sing N N 176 +ILE CG1 HG12 sing N N 177 +ILE CG1 HG13 sing N N 178 +ILE CG2 HG21 sing N N 179 +ILE CG2 HG22 sing N N 180 +ILE CG2 HG23 sing N N 181 +ILE CD1 HD11 sing N N 182 +ILE CD1 HD12 sing N N 183 +ILE CD1 HD13 sing N N 184 +ILE OXT HXT sing N N 185 +IMD N1 C2 sing Y N 186 +IMD N1 C5 sing Y N 187 +IMD N1 HN1 sing N N 188 +IMD C2 N3 doub Y N 189 +IMD C2 H2 sing N N 190 +IMD N3 C4 sing Y N 191 +IMD N3 HN3 sing N N 192 +IMD C4 C5 doub Y N 193 +IMD C4 H4 sing N N 194 +IMD C5 H5 sing N N 195 +LEU N CA sing N N 196 +LEU N H sing N N 197 +LEU N H2 sing N N 198 +LEU CA C sing N N 199 +LEU CA CB sing N N 200 +LEU CA HA sing N N 201 +LEU C O doub N N 202 +LEU C OXT sing N N 203 +LEU CB CG sing N N 204 +LEU CB HB2 sing N N 205 +LEU CB HB3 sing N N 206 +LEU CG CD1 sing N N 207 +LEU CG CD2 sing N N 208 +LEU CG HG sing N N 209 +LEU CD1 HD11 sing N N 210 +LEU CD1 HD12 sing N N 211 +LEU CD1 HD13 sing N N 212 +LEU CD2 HD21 sing N N 213 +LEU CD2 HD22 sing N N 214 +LEU CD2 HD23 sing N N 215 +LEU OXT HXT sing N N 216 +LYS N CA sing N N 217 +LYS N H sing N N 218 +LYS N H2 sing N N 219 +LYS CA C sing N N 220 +LYS CA CB sing N N 221 +LYS CA HA sing N N 222 +LYS C O doub N N 223 +LYS C OXT sing N N 224 +LYS CB CG sing N N 225 +LYS CB HB2 sing N N 226 +LYS CB HB3 sing N N 227 +LYS CG CD sing N N 228 +LYS CG HG2 sing N N 229 +LYS CG HG3 sing N N 230 +LYS CD CE sing N N 231 +LYS CD HD2 sing N N 232 +LYS CD HD3 sing N N 233 +LYS CE NZ sing N N 234 +LYS CE HE2 sing N N 235 +LYS CE HE3 sing N N 236 +LYS NZ HZ1 sing N N 237 +LYS NZ HZ2 sing N N 238 +LYS NZ HZ3 sing N N 239 +LYS OXT HXT sing N N 240 +MET N CA sing N N 241 +MET N H sing N N 242 +MET N H2 sing N N 243 +MET CA C sing N N 244 +MET CA CB sing N N 245 +MET CA HA sing N N 246 +MET C O doub N N 247 +MET C OXT sing N N 248 +MET CB CG sing N N 249 +MET CB HB2 sing N N 250 +MET CB HB3 sing N N 251 +MET CG SD sing N N 252 +MET CG HG2 sing N N 253 +MET CG HG3 sing N N 254 +MET SD CE sing N N 255 +MET CE HE1 sing N N 256 +MET CE HE2 sing N N 257 +MET CE HE3 sing N N 258 +MET OXT HXT sing N N 259 +NAG C1 C2 sing N N 260 +NAG C1 O1 sing N N 261 +NAG C1 O5 sing N N 262 +NAG C1 H1 sing N N 263 +NAG C2 C3 sing N N 264 +NAG C2 N2 sing N N 265 +NAG C2 H2 sing N N 266 +NAG C3 C4 sing N N 267 +NAG C3 O3 sing N N 268 +NAG C3 H3 sing N N 269 +NAG C4 C5 sing N N 270 +NAG C4 O4 sing N N 271 +NAG C4 H4 sing N N 272 +NAG C5 C6 sing N N 273 +NAG C5 O5 sing N N 274 +NAG C5 H5 sing N N 275 +NAG C6 O6 sing N N 276 +NAG C6 H61 sing N N 277 +NAG C6 H62 sing N N 278 +NAG C7 C8 sing N N 279 +NAG C7 N2 sing N N 280 +NAG C7 O7 doub N N 281 +NAG C8 H81 sing N N 282 +NAG C8 H82 sing N N 283 +NAG C8 H83 sing N N 284 +NAG N2 HN2 sing N N 285 +NAG O1 HO1 sing N N 286 +NAG O3 HO3 sing N N 287 +NAG O4 HO4 sing N N 288 +NAG O6 HO6 sing N N 289 +PHE N CA sing N N 290 +PHE N H sing N N 291 +PHE N H2 sing N N 292 +PHE CA C sing N N 293 +PHE CA CB sing N N 294 +PHE CA HA sing N N 295 +PHE C O doub N N 296 +PHE C OXT sing N N 297 +PHE CB CG sing N N 298 +PHE CB HB2 sing N N 299 +PHE CB HB3 sing N N 300 +PHE CG CD1 doub Y N 301 +PHE CG CD2 sing Y N 302 +PHE CD1 CE1 sing Y N 303 +PHE CD1 HD1 sing N N 304 +PHE CD2 CE2 doub Y N 305 +PHE CD2 HD2 sing N N 306 +PHE CE1 CZ doub Y N 307 +PHE CE1 HE1 sing N N 308 +PHE CE2 CZ sing Y N 309 +PHE CE2 HE2 sing N N 310 +PHE CZ HZ sing N N 311 +PHE OXT HXT sing N N 312 +PRO N CA sing N N 313 +PRO N CD sing N N 314 +PRO N H sing N N 315 +PRO CA C sing N N 316 +PRO CA CB sing N N 317 +PRO CA HA sing N N 318 +PRO C O doub N N 319 +PRO C OXT sing N N 320 +PRO CB CG sing N N 321 +PRO CB HB2 sing N N 322 +PRO CB HB3 sing N N 323 +PRO CG CD sing N N 324 +PRO CG HG2 sing N N 325 +PRO CG HG3 sing N N 326 +PRO CD HD2 sing N N 327 +PRO CD HD3 sing N N 328 +PRO OXT HXT sing N N 329 +SER N CA sing N N 330 +SER N H sing N N 331 +SER N H2 sing N N 332 +SER CA C sing N N 333 +SER CA CB sing N N 334 +SER CA HA sing N N 335 +SER C O doub N N 336 +SER C OXT sing N N 337 +SER CB OG sing N N 338 +SER CB HB2 sing N N 339 +SER CB HB3 sing N N 340 +SER OG HG sing N N 341 +SER OXT HXT sing N N 342 +THR N CA sing N N 343 +THR N H sing N N 344 +THR N H2 sing N N 345 +THR CA C sing N N 346 +THR CA CB sing N N 347 +THR CA HA sing N N 348 +THR C O doub N N 349 +THR C OXT sing N N 350 +THR CB OG1 sing N N 351 +THR CB CG2 sing N N 352 +THR CB HB sing N N 353 +THR OG1 HG1 sing N N 354 +THR CG2 HG21 sing N N 355 +THR CG2 HG22 sing N N 356 +THR CG2 HG23 sing N N 357 +THR OXT HXT sing N N 358 +TRP N CA sing N N 359 +TRP N H sing N N 360 +TRP N H2 sing N N 361 +TRP CA C sing N N 362 +TRP CA CB sing N N 363 +TRP CA HA sing N N 364 +TRP C O doub N N 365 +TRP C OXT sing N N 366 +TRP CB CG sing N N 367 +TRP CB HB2 sing N N 368 +TRP CB HB3 sing N N 369 +TRP CG CD1 doub Y N 370 +TRP CG CD2 sing Y N 371 +TRP CD1 NE1 sing Y N 372 +TRP CD1 HD1 sing N N 373 +TRP CD2 CE2 doub Y N 374 +TRP CD2 CE3 sing Y N 375 +TRP NE1 CE2 sing Y N 376 +TRP NE1 HE1 sing N N 377 +TRP CE2 CZ2 sing Y N 378 +TRP CE3 CZ3 doub Y N 379 +TRP CE3 HE3 sing N N 380 +TRP CZ2 CH2 doub Y N 381 +TRP CZ2 HZ2 sing N N 382 +TRP CZ3 CH2 sing Y N 383 +TRP CZ3 HZ3 sing N N 384 +TRP CH2 HH2 sing N N 385 +TRP OXT HXT sing N N 386 +TYR N CA sing N N 387 +TYR N H sing N N 388 +TYR N H2 sing N N 389 +TYR CA C sing N N 390 +TYR CA CB sing N N 391 +TYR CA HA sing N N 392 +TYR C O doub N N 393 +TYR C OXT sing N N 394 +TYR CB CG sing N N 395 +TYR CB HB2 sing N N 396 +TYR CB HB3 sing N N 397 +TYR CG CD1 doub Y N 398 +TYR CG CD2 sing Y N 399 +TYR CD1 CE1 sing Y N 400 +TYR CD1 HD1 sing N N 401 +TYR CD2 CE2 doub Y N 402 +TYR CD2 HD2 sing N N 403 +TYR CE1 CZ doub Y N 404 +TYR CE1 HE1 sing N N 405 +TYR CE2 CZ sing Y N 406 +TYR CE2 HE2 sing N N 407 +TYR CZ OH sing N N 408 +TYR OH HH sing N N 409 +TYR OXT HXT sing N N 410 +VAL N CA sing N N 411 +VAL N H sing N N 412 +VAL N H2 sing N N 413 +VAL CA C sing N N 414 +VAL CA CB sing N N 415 +VAL CA HA sing N N 416 +VAL C O doub N N 417 +VAL C OXT sing N N 418 +VAL CB CG1 sing N N 419 +VAL CB CG2 sing N N 420 +VAL CB HB sing N N 421 +VAL CG1 HG11 sing N N 422 +VAL CG1 HG12 sing N N 423 +VAL CG1 HG13 sing N N 424 +VAL CG2 HG21 sing N N 425 +VAL CG2 HG22 sing N N 426 +VAL CG2 HG23 sing N N 427 +VAL OXT HXT sing N N 428 +# +_pdbx_audit_support.funding_organization 'Other private' +_pdbx_audit_support.country ? +_pdbx_audit_support.grant_number ? +_pdbx_audit_support.ordinal 1 +# +loop_ +_pdbx_entity_branch_list.entity_id +_pdbx_entity_branch_list.comp_id +_pdbx_entity_branch_list.num +_pdbx_entity_branch_list.hetero +4 NAG 1 n +4 NAG 2 n +# +loop_ +_pdbx_initial_refinement_model.id +_pdbx_initial_refinement_model.entity_id_list +_pdbx_initial_refinement_model.type +_pdbx_initial_refinement_model.source_name +_pdbx_initial_refinement_model.accession_code +_pdbx_initial_refinement_model.details +1 ? 'experimental model' PDB 6UTA ? +2 ? 'experimental model' PDB 6O8D ? +# +_atom_sites.entry_id 8S6Z +_atom_sites.Cartn_transf_matrix[1][1] ? +_atom_sites.Cartn_transf_matrix[1][2] ? +_atom_sites.Cartn_transf_matrix[1][3] ? +_atom_sites.Cartn_transf_matrix[2][1] ? +_atom_sites.Cartn_transf_matrix[2][2] ? +_atom_sites.Cartn_transf_matrix[2][3] ? +_atom_sites.Cartn_transf_matrix[3][1] ? +_atom_sites.Cartn_transf_matrix[3][2] ? +_atom_sites.Cartn_transf_matrix[3][3] ? +_atom_sites.Cartn_transf_vector[1] ? +_atom_sites.Cartn_transf_vector[2] ? +_atom_sites.Cartn_transf_vector[3] ? +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.013008 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.008479 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.006863 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +_atom_sites.solution_primary ? +_atom_sites.solution_secondary ? +_atom_sites.solution_hydrogens ? +_atom_sites.special_details ? +# +loop_ +_atom_type.symbol +_atom_type.pdbx_scat_Z +_atom_type.pdbx_N_electrons +_atom_type.scat_Cromer_Mann_a1 +_atom_type.scat_Cromer_Mann_b1 +_atom_type.scat_Cromer_Mann_a2 +_atom_type.scat_Cromer_Mann_b2 +_atom_type.scat_Cromer_Mann_a3 +_atom_type.scat_Cromer_Mann_b3 +_atom_type.scat_Cromer_Mann_a4 +_atom_type.scat_Cromer_Mann_b4 +_atom_type.scat_Cromer_Mann_c +C 6 6 2.3103 20.8439 1.0201 10.2075 1.5888 0.5687 0.8651 51.6512 0.2156 +H 1 1 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7997 0.0030 +N 7 7 12.2220 0.0057 3.1346 9.8933 2.0141 28.9975 1.1672 0.5826 -11.5379 +O 8 8 3.0487 13.2771 2.2870 5.7011 1.5464 0.3239 0.8671 32.9089 0.2508 +S 16 16 6.9054 1.4679 5.2035 22.2151 1.4379 0.2536 1.5863 56.1720 1.0555 +ZN ? ? ? ? ? ? ? ? ? ? ? +ZN+2 30 28 11.9721 2.9946 7.3863 0.2031 6.4669 7.0826 1.3940 18.0995 0.3851 +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +_atom_site.pdbx_tls_group_id +ATOM 1 N N . GLU A 1 1 ? 28.006 -32.746 -26.297 1 125.32 ? 1 GLU A N 1 1 +ATOM 2 C CA . GLU A 1 1 ? 27.866 -31.274 -26.472 1 113.726 ? 1 GLU A CA 1 1 +ATOM 3 C C . GLU A 1 1 ? 27.259 -30.698 -25.188 1 104.702 ? 1 GLU A C 1 1 +ATOM 4 O O . GLU A 1 1 ? 26.141 -31.013 -24.76 1 90.01 ? 1 GLU A O 1 1 +ATOM 5 C CB . GLU A 1 1 ? 27.127 -31.048 -27.793 1 112.104 ? 1 GLU A CB 1 1 +ATOM 6 C CG . GLU A 1 1 ? 26.811 -29.601 -28.166 1 116.477 ? 1 GLU A CG 1 1 +ATOM 7 C CD . GLU A 1 1 ? 25.903 -29.449 -29.401 1 125.85 ? 1 GLU A CD 1 1 +ATOM 8 O OE1 . GLU A 1 1 ? 24.823 -30.076 -29.454 1 119.382 ? 1 GLU A OE1 1 1 +ATOM 9 O OE2 . GLU A 1 1 ? 26.247 -28.707 -30.352 1 135.809 ? 1 GLU A OE2 1 1 +ATOM 10 N N . VAL A 1 2 ? 28.046 -29.828 -24.564 1 93.128 ? 2 VAL A N 1 1 +ATOM 11 C CA . VAL A 1 2 ? 27.578 -29.06 -23.427 1 80.348 ? 2 VAL A CA 1 1 +ATOM 12 C C . VAL A 1 2 ? 26.636 -27.97 -23.935 1 77.766 ? 2 VAL A C 1 1 +ATOM 13 O O . VAL A 1 2 ? 26.942 -27.276 -24.905 1 82.006 ? 2 VAL A O 1 1 +ATOM 14 C CB . VAL A 1 2 ? 28.784 -28.461 -22.685 1 74.354 ? 2 VAL A CB 1 1 +ATOM 15 C CG1 . VAL A 1 2 ? 28.357 -27.494 -21.585 1 73.207 ? 2 VAL A CG1 1 1 +ATOM 16 C CG2 . VAL A 1 2 ? 29.709 -29.545 -22.166 1 73.001 ? 2 VAL A CG2 1 1 +ATOM 17 N N . GLN A 1 3 ? 25.5 -27.793 -23.264 1 75.336 ? 3 GLN A N 1 1 +ATOM 18 C CA . GLN A 1 3 ? 24.598 -26.703 -23.61 1 74.605 ? 3 GLN A CA 1 1 +ATOM 19 C C . GLN A 1 3 ? 24.142 -26.032 -22.319 1 74.129 ? 3 GLN A C 1 1 +ATOM 20 O O . GLN A 1 3 ? 23.867 -26.718 -21.326 1 82.293 ? 3 GLN A O 1 1 +ATOM 21 C CB . GLN A 1 3 ? 23.416 -27.163 -24.47 1 72.301 ? 3 GLN A CB 1 1 +ATOM 22 C CG . GLN A 1 3 ? 23.832 -27.683 -25.844 1 77.341 ? 3 GLN A CG 1 1 +ATOM 23 C CD . GLN A 1 3 ? 22.747 -28.461 -26.564 1 83.923 ? 3 GLN A CD 1 1 +ATOM 24 O OE1 . GLN A 1 3 ? 22.572 -29.678 -26.393 1 78.751 ? 3 GLN A OE1 1 1 +ATOM 25 N NE2 . GLN A 1 3 ? 22.025 -27.762 -27.423 1 84.551 ? 3 GLN A NE2 1 1 +ATOM 26 N N . LEU A 1 4 ? 24.093 -24.693 -22.354 1 63.265 ? 4 LEU A N 1 1 +ATOM 27 C CA . LEU A 1 4 ? 23.413 -23.912 -21.341 1 62.925 ? 4 LEU A CA 1 1 +ATOM 28 C C . LEU A 1 4 ? 22.338 -23.056 -22.006 1 63.319 ? 4 LEU A C 1 1 +ATOM 29 O O . LEU A 1 4 ? 22.655 -22.277 -22.888 1 62.395 ? 4 LEU A O 1 1 +ATOM 30 C CB . LEU A 1 4 ? 24.459 -23.041 -20.659 1 63.272 ? 4 LEU A CB 1 1 +ATOM 31 C CG . LEU A 1 4 ? 25.49 -23.747 -19.776 1 64.14 ? 4 LEU A CG 1 1 +ATOM 32 C CD1 . LEU A 1 4 ? 26.463 -22.674 -19.246 1 65.154 ? 4 LEU A CD1 1 1 +ATOM 33 C CD2 . LEU A 1 4 ? 24.851 -24.561 -18.643 1 61.438 ? 4 LEU A CD2 1 1 +ATOM 34 N N . LEU A 1 5 ? 21.082 -23.166 -21.569 1 65.667 ? 5 LEU A N 1 1 +ATOM 35 C CA . LEU A 1 5 ? 20.024 -22.383 -22.18 1 76.67 ? 5 LEU A CA 1 1 +ATOM 36 C C . LEU A 1 5 ? 19.292 -21.51 -21.153 1 78.148 ? 5 LEU A C 1 1 +ATOM 37 O O . LEU A 1 5 ? 18.557 -22.035 -20.336 1 92.918 ? 5 LEU A O 1 1 +ATOM 38 C CB . LEU A 1 5 ? 19.081 -23.349 -22.887 1 78.966 ? 5 LEU A CB 1 1 +ATOM 39 C CG . LEU A 1 5 ? 17.967 -22.665 -23.683 1 91.806 ? 5 LEU A CG 1 1 +ATOM 40 C CD1 . LEU A 1 5 ? 18.61 -21.859 -24.791 1 97.256 ? 5 LEU A CD1 1 1 +ATOM 41 C CD2 . LEU A 1 5 ? 16.911 -23.594 -24.244 1 105.015 ? 5 LEU A CD2 1 1 +ATOM 42 N N . GLU A 1 6 ? 19.432 -20.178 -21.249 1 78.488 ? 6 GLU A N 1 1 +ATOM 43 C CA . GLU A 1 6 ? 18.75 -19.229 -20.377 1 71.832 ? 6 GLU A CA 1 1 +ATOM 44 C C . GLU A 1 6 ? 17.329 -18.961 -20.884 1 71.722 ? 6 GLU A C 1 1 +ATOM 45 O O . GLU A 1 6 ? 17.028 -19.127 -22.074 1 83.494 ? 6 GLU A O 1 1 +ATOM 46 C CB . GLU A 1 6 ? 19.445 -17.867 -20.274 1 76.417 ? 6 GLU A CB 1 1 +ATOM 47 C CG . GLU A 1 6 ? 20.832 -17.911 -19.647 1 80.504 ? 6 GLU A CG 1 1 +ATOM 48 C CD . GLU A 1 6 ? 21.97 -18.144 -20.625 1 82.876 ? 6 GLU A CD 1 1 +ATOM 49 O OE1 . GLU A 1 6 ? 23.123 -17.857 -20.276 1 86.432 ? 6 GLU A OE1 1 1 +ATOM 50 O OE2 . GLU A 1 6 ? 21.709 -18.602 -21.749 1 96.598 ? 6 GLU A OE2 1 1 +ATOM 51 N N . SER A 1 7 ? 16.458 -18.549 -19.946 1 71.589 ? 7 SER A N 1 1 +ATOM 52 C CA . SER A 1 7 ? 15.072 -18.193 -20.224 1 82.979 ? 7 SER A CA 1 1 +ATOM 53 C C . SER A 1 7 ? 14.549 -17.355 -19.055 1 90.649 ? 7 SER A C 1 1 +ATOM 54 O O . SER A 1 7 ? 15.27 -17.197 -18.067 1 79.296 ? 7 SER A O 1 1 +ATOM 55 C CB . SER A 1 7 ? 14.225 -19.414 -20.454 1 83.889 ? 7 SER A CB 1 1 +ATOM 56 O OG . SER A 1 7 ? 14.294 -20.235 -19.296 1 94.167 ? 7 SER A OG 1 1 +ATOM 57 N N . GLY A 1 8 ? 13.352 -16.755 -19.21 1 92.618 ? 8 GLY A N 1 1 +ATOM 58 C CA . GLY A 1 8 ? 12.687 -16.035 -18.13 1 91.644 ? 8 GLY A CA 1 1 +ATOM 59 C C . GLY A 1 8 ? 12.87 -14.514 -18.179 1 85.678 ? 8 GLY A C 1 1 +ATOM 60 O O . GLY A 1 8 ? 12.299 -13.798 -17.334 1 77.993 ? 8 GLY A O 1 1 +ATOM 61 N N . GLY A 1 9 ? 13.67 -14.034 -19.148 1 76.849 ? 9 GLY A N 1 1 +ATOM 62 C CA . GLY A 1 9 ? 13.894 -12.608 -19.335 1 80.001 ? 9 GLY A CA 1 1 +ATOM 63 C C . GLY A 1 9 ? 12.791 -11.939 -20.167 1 77.942 ? 9 GLY A C 1 1 +ATOM 64 O O . GLY A 1 9 ? 11.846 -12.598 -20.596 1 70.023 ? 9 GLY A O 1 1 +ATOM 65 N N . GLY A 1 10 ? 12.957 -10.622 -20.4 1 80.301 ? 10 GLY A N 1 1 +ATOM 66 C CA . GLY A 1 10 ? 11.975 -9.764 -21.054 1 90.611 ? 10 GLY A CA 1 1 +ATOM 67 C C . GLY A 1 10 ? 11.784 -8.429 -20.324 1 88.381 ? 10 GLY A C 1 1 +ATOM 68 O O . GLY A 1 10 ? 12.665 -8.003 -19.574 1 75.113 ? 10 GLY A O 1 1 +ATOM 69 N N . LEU A 1 11 ? 10.603 -7.805 -20.51 1 85.302 ? 11 LEU A N 1 1 +ATOM 70 C CA . LEU A 1 11 ? 10.324 -6.477 -19.981 1 78.023 ? 11 LEU A CA 1 1 +ATOM 71 C C . LEU A 1 11 ? 9.625 -6.585 -18.631 1 76.842 ? 11 LEU A C 1 1 +ATOM 72 O O . LEU A 1 11 ? 8.69 -7.351 -18.509 1 85.561 ? 11 LEU A O 1 1 +ATOM 73 C CB . LEU A 1 11 ? 9.467 -5.668 -20.949 1 77.315 ? 11 LEU A CB 1 1 +ATOM 74 C CG . LEU A 1 11 ? 9.092 -4.248 -20.485 1 80.074 ? 11 LEU A CG 1 1 +ATOM 75 C CD1 . LEU A 1 11 ? 10.321 -3.361 -20.275 1 82.53 ? 11 LEU A CD1 1 1 +ATOM 76 C CD2 . LEU A 1 11 ? 8.133 -3.539 -21.431 1 78.953 ? 11 LEU A CD2 1 1 +ATOM 77 N N . VAL A 1 12 ? 10.068 -5.791 -17.642 1 81.725 ? 12 VAL A N 1 1 +ATOM 78 C CA . VAL A 1 12 ? 9.459 -5.748 -16.318 1 86.798 ? 12 VAL A CA 1 1 +ATOM 79 C C . VAL A 1 12 ? 9.484 -4.311 -15.781 1 89.784 ? 12 VAL A C 1 1 +ATOM 80 O O . VAL A 1 12 ? 10.388 -3.53 -16.084 1 80.089 ? 12 VAL A O 1 1 +ATOM 81 C CB . VAL A 1 12 ? 10.149 -6.743 -15.356 1 85.861 ? 12 VAL A CB 1 1 +ATOM 82 C CG1 . VAL A 1 12 ? 11.623 -6.422 -15.151 1 88.995 ? 12 VAL A CG1 1 1 +ATOM 83 C CG2 . VAL A 1 12 ? 9.435 -6.867 -14.014 1 88.734 ? 12 VAL A CG2 1 1 +ATOM 84 N N . GLN A 1 13 ? 8.466 -3.977 -14.967 1 92.97 ? 13 GLN A N 1 1 +ATOM 85 C CA . GLN A 1 13 ? 8.345 -2.675 -14.341 1 90.829 ? 13 GLN A CA 1 1 +ATOM 86 C C . GLN A 1 13 ? 9.391 -2.516 -13.24 1 85.659 ? 13 GLN A C 1 1 +ATOM 87 O O . GLN A 1 13 ? 9.715 -3.459 -12.537 1 96.057 ? 13 GLN A O 1 1 +ATOM 88 C CB . GLN A 1 13 ? 6.928 -2.57 -13.765 1 108.2 ? 13 GLN A CB 1 1 +ATOM 89 C CG . GLN A 1 13 ? 5.805 -2.41 -14.792 1 120.436 ? 13 GLN A CG 1 1 +ATOM 90 C CD . GLN A 1 13 ? 5.84 -1.087 -15.547 1 133.176 ? 13 GLN A CD 1 1 +ATOM 91 O OE1 . GLN A 1 13 ? 5.854 0.004 -14.959 1 124.854 ? 13 GLN A OE1 1 1 +ATOM 92 N NE2 . GLN A 1 13 ? 5.835 -1.157 -16.875 1 141.316 ? 13 GLN A NE2 1 1 +ATOM 93 N N . PRO A 1 14 ? 9.928 -1.308 -12.993 1 89.007 ? 14 PRO A N 1 1 +ATOM 94 C CA . PRO A 1 14 ? 10.785 -1.078 -11.832 1 89.62 ? 14 PRO A CA 1 1 +ATOM 95 C C . PRO A 1 14 ? 10.061 -1.417 -10.53 1 93.476 ? 14 PRO A C 1 1 +ATOM 96 O O . PRO A 1 14 ? 8.869 -1.153 -10.377 1 86.321 ? 14 PRO A O 1 1 +ATOM 97 C CB . PRO A 1 14 ? 11.119 0.421 -11.924 1 98.236 ? 14 PRO A CB 1 1 +ATOM 98 C CG . PRO A 1 14 ? 9.982 1.004 -12.743 1 103.715 ? 14 PRO A CG 1 1 +ATOM 99 C CD . PRO A 1 14 ? 9.718 -0.089 -13.781 1 100.801 ? 14 PRO A CD 1 1 +ATOM 100 N N . GLY A 1 15 ? 10.798 -2.006 -9.586 1 99.457 ? 15 GLY A N 1 1 +ATOM 101 C CA . GLY A 1 15 ? 10.221 -2.431 -8.321 1 102.879 ? 15 GLY A CA 1 1 +ATOM 102 C C . GLY A 1 15 ? 9.764 -3.889 -8.4 1 112.057 ? 15 GLY A C 1 1 +ATOM 103 O O . GLY A 1 15 ? 9.654 -4.575 -7.384 1 119.206 ? 15 GLY A O 1 1 +ATOM 104 N N . GLY A 1 16 ? 9.556 -4.372 -9.631 1 110.111 ? 16 GLY A N 1 1 +ATOM 105 C CA . GLY A 1 16 ? 8.928 -5.656 -9.879 1 104.581 ? 16 GLY A CA 1 1 +ATOM 106 C C . GLY A 1 16 ? 9.913 -6.806 -9.746 1 100.67 ? 16 GLY A C 1 1 +ATOM 107 O O . GLY A 1 16 ? 11.087 -6.603 -9.415 1 114.323 ? 16 GLY A O 1 1 +ATOM 108 N N . SER A 1 17 ? 9.395 -8.01 -10.002 1 100.065 ? 17 SER A N 1 1 +ATOM 109 C CA . SER A 1 17 ? 10.144 -9.232 -9.775 1 103.317 ? 17 SER A CA 1 1 +ATOM 110 C C . SER A 1 17 ? 10.179 -10.033 -11.06 1 101.057 ? 17 SER A C 1 1 +ATOM 111 O O . SER A 1 17 ? 9.219 -10.012 -11.826 1 125.254 ? 17 SER A O 1 1 +ATOM 112 C CB . SER A 1 17 ? 9.577 -10.058 -8.654 1 114.175 ? 17 SER A CB 1 1 +ATOM 113 O OG . SER A 1 17 ? 9.812 -9.433 -7.398 1 139.135 ? 17 SER A OG 1 1 +ATOM 114 N N . LEU A 1 18 ? 11.31 -10.71 -11.26 1 98.216 ? 18 LEU A N 1 1 +ATOM 115 C CA . LEU A 1 18 ? 11.516 -11.557 -12.419 1 99.206 ? 18 LEU A CA 1 1 +ATOM 116 C C . LEU A 1 18 ? 12.367 -12.759 -12.012 1 91.493 ? 18 LEU A C 1 1 +ATOM 117 O O . LEU A 1 18 ? 13.238 -12.619 -11.172 1 79.76 ? 18 LEU A O 1 1 +ATOM 118 C CB . LEU A 1 18 ? 12.173 -10.719 -13.514 1 94.012 ? 18 LEU A CB 1 1 +ATOM 119 C CG . LEU A 1 18 ? 12.084 -11.322 -14.917 1 98.527 ? 18 LEU A CG 1 1 +ATOM 120 C CD1 . LEU A 1 18 ? 10.643 -11.344 -15.417 1 99.593 ? 18 LEU A CD1 1 1 +ATOM 121 C CD2 . LEU A 1 18 ? 12.975 -10.564 -15.858 1 96.056 ? 18 LEU A CD2 1 1 +ATOM 122 N N . ARG A 1 19 ? 12.088 -13.935 -12.589 1 92.97 ? 19 ARG A N 1 1 +ATOM 123 C CA . ARG A 1 19 ? 12.845 -15.135 -12.287 1 87.573 ? 19 ARG A CA 1 1 +ATOM 124 C C . ARG A 1 19 ? 13.433 -15.706 -13.576 1 86.725 ? 19 ARG A C 1 1 +ATOM 125 O O . ARG A 1 19 ? 12.696 -16.137 -14.463 1 79.206 ? 19 ARG A O 1 1 +ATOM 126 C CB . ARG A 1 19 ? 11.961 -16.186 -11.624 1 93.009 ? 19 ARG A CB 1 1 +ATOM 127 C CG . ARG A 1 19 ? 12.641 -17.523 -11.374 1 97.138 ? 19 ARG A CG 1 1 +ATOM 128 C CD . ARG A 1 19 ? 11.581 -18.572 -11.148 1 103.019 ? 19 ARG A CD 1 1 +ATOM 129 N NE . ARG A 1 19 ? 12.151 -19.893 -10.889 1 105.53 ? 19 ARG A NE 1 1 +ATOM 130 C CZ . ARG A 1 19 ? 11.431 -20.993 -10.713 1 129.676 ? 19 ARG A CZ 1 1 +ATOM 131 N NH1 . ARG A 1 19 ? 10.115 -20.94 -10.797 1 143.572 ? 19 ARG A NH1 1 1 +ATOM 132 N NH2 . ARG A 1 19 ? 12.031 -22.145 -10.454 1 146.303 ? 19 ARG A NH2 1 1 +ATOM 133 N N . LEU A 1 20 ? 14.772 -15.747 -13.616 1 78.667 ? 20 LEU A N 1 1 +ATOM 134 C CA . LEU A 1 20 ? 15.512 -16.312 -14.722 1 72.109 ? 20 LEU A CA 1 1 +ATOM 135 C C . LEU A 1 20 ? 15.846 -17.764 -14.426 1 78.68 ? 20 LEU A C 1 1 +ATOM 136 O O . LEU A 1 20 ? 16.012 -18.152 -13.276 1 96.876 ? 20 LEU A O 1 1 +ATOM 137 C CB . LEU A 1 20 ? 16.799 -15.535 -14.923 1 74.385 ? 20 LEU A CB 1 1 +ATOM 138 C CG . LEU A 1 20 ? 16.655 -14.043 -15.219 1 82.818 ? 20 LEU A CG 1 1 +ATOM 139 C CD1 . LEU A 1 20 ? 18.042 -13.441 -15.467 1 85.157 ? 20 LEU A CD1 1 1 +ATOM 140 C CD2 . LEU A 1 20 ? 15.76 -13.765 -16.381 1 79.34 ? 20 LEU A CD2 1 1 +ATOM 141 N N . SER A 1 21 ? 15.978 -18.556 -15.495 1 84.974 ? 21 SER A N 1 1 +ATOM 142 C CA . SER A 1 21 ? 16.323 -19.969 -15.408 1 76.432 ? 21 SER A CA 1 1 +ATOM 143 C C . SER A 1 21 ? 17.404 -20.277 -16.442 1 67.934 ? 21 SER A C 1 1 +ATOM 144 O O . SER A 1 21 ? 17.512 -19.577 -17.435 1 67.971 ? 21 SER A O 1 1 +ATOM 145 C CB . SER A 1 21 ? 15.11 -20.856 -15.556 1 70.75 ? 21 SER A CB 1 1 +ATOM 146 O OG . SER A 1 21 ? 14.199 -20.278 -16.476 1 87.515 ? 21 SER A OG 1 1 +ATOM 147 N N . CYS A 1 22 ? 18.23 -21.284 -16.153 1 65.372 ? 22 CYS A N 1 1 +ATOM 148 C CA . CYS A 1 22 ? 19.298 -21.722 -17.029 1 74.006 ? 22 CYS A CA 1 1 +ATOM 149 C C . CYS A 1 22 ? 19.348 -23.252 -16.993 1 72.717 ? 22 CYS A C 1 1 +ATOM 150 O O . CYS A 1 22 ? 19.746 -23.832 -15.996 1 85.241 ? 22 CYS A O 1 1 +ATOM 151 C CB . CYS A 1 22 ? 20.619 -21.074 -16.627 1 80.885 ? 22 CYS A CB 1 1 +ATOM 152 S SG . CYS A 1 22 ? 22.077 -21.939 -17.28 1 92.14 ? 22 CYS A SG 1 1 +ATOM 153 N N . ALA A 1 23 ? 18.915 -23.91 -18.067 1 68.429 ? 23 ALA A N 1 1 +ATOM 154 C CA . ALA A 1 23 ? 18.926 -25.358 -18.134 1 76.92 ? 23 ALA A CA 1 1 +ATOM 155 C C . ALA A 1 23 ? 20.274 -25.815 -18.674 1 80.643 ? 23 ALA A C 1 1 +ATOM 156 O O . ALA A 1 23 ? 20.843 -25.161 -19.535 1 73.788 ? 23 ALA A O 1 1 +ATOM 157 C CB . ALA A 1 23 ? 17.782 -25.858 -18.987 1 83.568 ? 23 ALA A CB 1 1 +ATOM 158 N N . ALA A 1 24 ? 20.764 -26.945 -18.151 1 86.647 ? 24 ALA A N 1 1 +ATOM 159 C CA . ALA A 1 24 ? 22.077 -27.467 -18.496 1 80.916 ? 24 ALA A CA 1 1 +ATOM 160 C C . ALA A 1 24 ? 21.96 -28.909 -18.972 1 82.203 ? 24 ALA A C 1 1 +ATOM 161 O O . ALA A 1 24 ? 21.118 -29.68 -18.506 1 88.415 ? 24 ALA A O 1 1 +ATOM 162 C CB . ALA A 1 24 ? 23.02 -27.376 -17.314 1 76.643 ? 24 ALA A CB 1 1 +ATOM 163 N N . SER A 1 25 ? 22.863 -29.258 -19.889 1 74.762 ? 25 SER A N 1 1 +ATOM 164 C CA . SER A 1 25 ? 23.055 -30.627 -20.317 1 69.115 ? 25 SER A CA 1 1 +ATOM 165 C C . SER A 1 25 ? 24.491 -30.804 -20.804 1 71.082 ? 25 SER A C 1 1 +ATOM 166 O O . SER A 1 25 ? 25.185 -29.84 -21.127 1 74.609 ? 25 SER A O 1 1 +ATOM 167 C CB . SER A 1 25 ? 22.078 -30.964 -21.393 1 72.547 ? 25 SER A CB 1 1 +ATOM 168 O OG . SER A 1 25 ? 22.379 -30.302 -22.622 1 83.154 ? 25 SER A OG 1 1 +ATOM 169 N N . GLY A 1 26 ? 24.925 -32.056 -20.91 1 71.602 ? 26 GLY A N 1 1 +ATOM 170 C CA . GLY A 1 26 ? 26.21 -32.368 -21.515 1 76.834 ? 26 GLY A CA 1 1 +ATOM 171 C C . GLY A 1 26 ? 27.34 -32.385 -20.48 1 77.989 ? 26 GLY A C 1 1 +ATOM 172 O O . GLY A 1 26 ? 28.507 -32.475 -20.854 1 83.882 ? 26 GLY A O 1 1 +ATOM 173 N N . PHE A 1 27 ? 26.998 -32.29 -19.185 1 72.096 ? 27 PHE A N 1 1 +ATOM 174 C CA . PHE A 1 27 ? 27.963 -32.465 -18.107 1 79.275 ? 27 PHE A CA 1 1 +ATOM 175 C C . PHE A 1 27 ? 27.25 -32.815 -16.799 1 81.01 ? 27 PHE A C 1 1 +ATOM 176 O O . PHE A 1 27 ? 26.041 -32.683 -16.694 1 93.323 ? 27 PHE A O 1 1 +ATOM 177 C CB . PHE A 1 27 ? 28.776 -31.176 -17.983 1 85.373 ? 27 PHE A CB 1 1 +ATOM 178 C CG . PHE A 1 27 ? 28.013 -29.947 -17.506 1 79.469 ? 27 PHE A CG 1 1 +ATOM 179 C CD1 . PHE A 1 27 ? 27.25 -29.191 -18.383 1 79.129 ? 27 PHE A CD1 1 1 +ATOM 180 C CD2 . PHE A 1 27 ? 28.094 -29.532 -16.185 1 78.041 ? 27 PHE A CD2 1 1 +ATOM 181 C CE1 . PHE A 1 27 ? 26.582 -28.057 -17.949 1 76.274 ? 27 PHE A CE1 1 1 +ATOM 182 C CE2 . PHE A 1 27 ? 27.434 -28.39 -15.761 1 71.758 ? 27 PHE A CE2 1 1 +ATOM 183 C CZ . PHE A 1 27 ? 26.682 -27.66 -16.643 1 73.167 ? 27 PHE A CZ 1 1 +ATOM 184 N N . THR A 1 28 ? 27.99 -33.288 -15.79 1 78.69 ? 28 THR A N 1 1 +ATOM 185 C CA . THR A 1 28 ? 27.385 -33.599 -14.497 1 79.957 ? 28 THR A CA 1 1 +ATOM 186 C C . THR A 1 28 ? 27.155 -32.29 -13.745 1 85.372 ? 28 THR A C 1 1 +ATOM 187 O O . THR A 1 28 ? 28.064 -31.789 -13.093 1 81.688 ? 28 THR A O 1 1 +ATOM 188 C CB . THR A 1 28 ? 28.259 -34.545 -13.667 1 82.023 ? 28 THR A CB 1 1 +ATOM 189 O OG1 . THR A 1 28 ? 28.617 -35.608 -14.544 1 81.797 ? 28 THR A OG1 1 1 +ATOM 190 C CG2 . THR A 1 28 ? 27.553 -35.092 -12.434 1 73.284 ? 28 THR A CG2 1 1 +ATOM 191 N N . PHE A 1 29 ? 25.924 -31.762 -13.814 1 100.155 ? 29 PHE A N 1 1 +ATOM 192 C CA . PHE A 1 29 ? 25.591 -30.419 -13.34 1 90.759 ? 29 PHE A CA 1 1 +ATOM 193 C C . PHE A 1 29 ? 25.996 -30.212 -11.886 1 83.119 ? 29 PHE A C 1 1 +ATOM 194 O O . PHE A 1 29 ? 26.542 -29.163 -11.575 1 79.926 ? 29 PHE A O 1 1 +ATOM 195 C CB . PHE A 1 29 ? 24.093 -30.222 -13.544 1 85.865 ? 29 PHE A CB 1 1 +ATOM 196 C CG . PHE A 1 29 ? 23.547 -28.868 -13.141 1 76.677 ? 29 PHE A CG 1 1 +ATOM 197 C CD1 . PHE A 1 29 ? 23.831 -27.739 -13.879 1 79.248 ? 29 PHE A CD1 1 1 +ATOM 198 C CD2 . PHE A 1 29 ? 22.687 -28.749 -12.057 1 80.504 ? 29 PHE A CD2 1 1 +ATOM 199 C CE1 . PHE A 1 29 ? 23.282 -26.508 -13.517 1 89.784 ? 29 PHE A CE1 1 1 +ATOM 200 C CE2 . PHE A 1 29 ? 22.157 -27.521 -11.692 1 81.61 ? 29 PHE A CE2 1 1 +ATOM 201 C CZ . PHE A 1 29 ? 22.466 -26.4 -12.416 1 82.093 ? 29 PHE A CZ 1 1 +ATOM 202 N N . SER A 1 30 ? 25.74 -31.21 -11.024 1 80.332 ? 30 SER A N 1 1 +ATOM 203 C CA . SER A 1 30 ? 25.973 -31.119 -9.587 1 83.41 ? 30 SER A CA 1 1 +ATOM 204 C C . SER A 1 30 ? 27.457 -31.121 -9.216 1 81.775 ? 30 SER A C 1 1 +ATOM 205 O O . SER A 1 30 ? 27.801 -30.867 -8.067 1 82.815 ? 30 SER A O 1 1 +ATOM 206 C CB . SER A 1 30 ? 25.284 -32.243 -8.873 1 87.683 ? 30 SER A CB 1 1 +ATOM 207 O OG . SER A 1 30 ? 25.827 -33.486 -9.28 1 93.828 ? 30 SER A OG 1 1 +ATOM 208 N N . SER A 1 31 ? 28.333 -31.428 -10.176 1 87.922 ? 31 SER A N 1 1 +ATOM 209 C CA . SER A 1 31 ? 29.771 -31.44 -9.944 1 89.25 ? 31 SER A CA 1 1 +ATOM 210 C C . SER A 1 31 ? 30.399 -30.055 -10.111 1 84.995 ? 31 SER A C 1 1 +ATOM 211 O O . SER A 1 31 ? 31.587 -29.909 -9.829 1 78.32 ? 31 SER A O 1 1 +ATOM 212 C CB . SER A 1 31 ? 30.469 -32.424 -10.86 1 86.416 ? 31 SER A CB 1 1 +ATOM 213 O OG . SER A 1 31 ? 30.063 -33.756 -10.591 1 90.341 ? 31 SER A OG 1 1 +ATOM 214 N N . TYR A 1 32 ? 29.65 -29.053 -10.599 1 82.261 ? 32 TYR A N 1 1 +ATOM 215 C CA . TYR A 1 32 ? 30.26 -27.769 -10.927 1 87.761 ? 32 TYR A CA 1 1 +ATOM 216 C C . TYR A 1 32 ? 29.529 -26.588 -10.283 1 86.609 ? 32 TYR A C 1 1 +ATOM 217 O O . TYR A 1 32 ? 28.298 -26.593 -10.156 1 71.496 ? 32 TYR A O 1 1 +ATOM 218 C CB . TYR A 1 32 ? 30.326 -27.537 -12.442 1 87.362 ? 32 TYR A CB 1 1 +ATOM 219 C CG . TYR A 1 32 ? 31.19 -28.531 -13.201 1 84.926 ? 32 TYR A CG 1 1 +ATOM 220 C CD1 . TYR A 1 32 ? 30.642 -29.71 -13.682 1 79.361 ? 32 TYR A CD1 1 1 +ATOM 221 C CD2 . TYR A 1 32 ? 32.55 -28.308 -13.398 1 91.237 ? 32 TYR A CD2 1 1 +ATOM 222 C CE1 . TYR A 1 32 ? 31.404 -30.622 -14.388 1 73.188 ? 32 TYR A CE1 1 1 +ATOM 223 C CE2 . TYR A 1 32 ? 33.331 -29.223 -14.073 1 88.788 ? 32 TYR A CE2 1 1 +ATOM 224 C CZ . TYR A 1 32 ? 32.746 -30.372 -14.567 1 77.788 ? 32 TYR A CZ 1 1 +ATOM 225 O OH . TYR A 1 32 ? 33.551 -31.233 -15.205 1 87.689 ? 32 TYR A OH 1 1 +ATOM 226 N N . ALA A 1 33 ? 30.328 -25.557 -9.939 1 89.839 ? 33 ALA A N 1 1 +ATOM 227 C CA . ALA A 1 33 ? 29.815 -24.278 -9.469 1 84.422 ? 33 ALA A CA 1 1 +ATOM 228 C C . ALA A 1 33 ? 29.222 -23.542 -10.662 1 74.126 ? 33 ALA A C 1 1 +ATOM 229 O O . ALA A 1 33 ? 29.733 -23.644 -11.758 1 70.728 ? 33 ALA A O 1 1 +ATOM 230 C CB . ALA A 1 33 ? 30.918 -23.46 -8.819 1 85.77 ? 33 ALA A CB 1 1 +ATOM 231 N N . MET A 1 34 ? 28.127 -22.818 -10.449 1 70.461 ? 34 MET A N 1 1 +ATOM 232 C CA . MET A 1 34 ? 27.494 -22.062 -11.507 1 67.876 ? 34 MET A CA 1 1 +ATOM 233 C C . MET A 1 34 ? 27.484 -20.597 -11.102 1 75.364 ? 34 MET A C 1 1 +ATOM 234 O O . MET A 1 34 ? 27.463 -20.294 -9.916 1 86.23 ? 34 MET A O 1 1 +ATOM 235 C CB . MET A 1 34 ? 26.067 -22.55 -11.766 1 66.608 ? 34 MET A CB 1 1 +ATOM 236 C CG . MET A 1 34 ? 26.016 -23.984 -12.312 1 71.26 ? 34 MET A CG 1 1 +ATOM 237 S SD . MET A 1 34 ? 26.875 -24.307 -13.872 0.9 63.837 ? 34 MET A SD 1 1 +ATOM 238 C CE . MET A 1 34 ? 25.685 -23.445 -14.911 1 69.814 ? 34 MET A CE 1 1 +ATOM 239 N N . SER A 1 35 ? 27.509 -19.707 -12.103 1 83.664 ? 35 SER A N 1 1 +ATOM 240 C CA . SER A 1 35 ? 27.4 -18.274 -11.872 1 78.508 ? 35 SER A CA 1 1 +ATOM 241 C C . SER A 1 35 ? 26.344 -17.648 -12.783 1 79.848 ? 35 SER A C 1 1 +ATOM 242 O O . SER A 1 35 ? 25.989 -18.18 -13.827 1 74.262 ? 35 SER A O 1 1 +ATOM 243 C CB . SER A 1 35 ? 28.73 -17.573 -12.023 1 63.565 ? 35 SER A CB 1 1 +ATOM 244 O OG . SER A 1 35 ? 29.601 -18.018 -11.005 1 64.355 ? 35 SER A OG 1 1 +ATOM 245 N N . TRP A 1 36 ? 25.867 -16.487 -12.342 1 82.556 ? 36 TRP A N 1 1 +ATOM 246 C CA . TRP A 1 36 ? 25.216 -15.531 -13.213 1 72.785 ? 36 TRP A CA 1 1 +ATOM 247 C C . TRP A 1 36 ? 26.145 -14.337 -13.43 1 67.814 ? 36 TRP A C 1 1 +ATOM 248 O O . TRP A 1 36 ? 26.704 -13.805 -12.472 1 81.623 ? 36 TRP A O 1 1 +ATOM 249 C CB . TRP A 1 36 ? 23.899 -15.096 -12.57 1 75.724 ? 36 TRP A CB 1 1 +ATOM 250 C CG . TRP A 1 36 ? 22.824 -16.139 -12.629 1 65.425 ? 36 TRP A CG 1 1 +ATOM 251 C CD1 . TRP A 1 36 ? 22.463 -16.961 -11.62 1 65.663 ? 36 TRP A CD1 1 1 +ATOM 252 C CD2 . TRP A 1 36 ? 21.952 -16.423 -13.735 1 61.476 ? 36 TRP A CD2 1 1 +ATOM 253 N NE1 . TRP A 1 36 ? 21.455 -17.773 -12.043 1 78.717 ? 36 TRP A NE1 1 1 +ATOM 254 C CE2 . TRP A 1 36 ? 21.099 -17.456 -13.326 1 72.079 ? 36 TRP A CE2 1 1 +ATOM 255 C CE3 . TRP A 1 36 ? 21.823 -15.925 -15.03 1 63.725 ? 36 TRP A CE3 1 1 +ATOM 256 C CZ2 . TRP A 1 36 ? 20.122 -17.998 -14.164 1 74.93 ? 36 TRP A CZ2 1 1 +ATOM 257 C CZ3 . TRP A 1 36 ? 20.849 -16.44 -15.857 1 72.603 ? 36 TRP A CZ3 1 1 +ATOM 258 C CH2 . TRP A 1 36 ? 20.017 -17.472 -15.429 1 73.264 ? 36 TRP A CH2 1 1 +ATOM 259 N N . VAL A 1 37 ? 26.316 -13.943 -14.694 1 62.281 ? 37 VAL A N 1 1 +ATOM 260 C CA . VAL A 1 37 ? 27.109 -12.79 -15.086 1 65.237 ? 37 VAL A CA 1 1 +ATOM 261 C C . VAL A 1 37 ? 26.201 -11.927 -15.944 1 67.181 ? 37 VAL A C 1 1 +ATOM 262 O O . VAL A 1 37 ? 25.524 -12.485 -16.807 1 58.645 ? 37 VAL A O 1 1 +ATOM 263 C CB . VAL A 1 37 ? 28.376 -13.211 -15.863 1 74.499 ? 37 VAL A CB 1 1 +ATOM 264 C CG1 . VAL A 1 37 ? 29.201 -12.017 -16.331 1 74.871 ? 37 VAL A CG1 1 1 +ATOM 265 C CG2 . VAL A 1 37 ? 29.237 -14.172 -15.042 1 83.518 ? 37 VAL A CG2 1 1 +ATOM 266 N N . ARG A 1 38 ? 26.185 -10.599 -15.707 1 67.356 ? 38 ARG A N 1 1 +ATOM 267 C CA . ARG A 1 38 ? 25.344 -9.724 -16.513 1 67.225 ? 38 ARG A CA 1 1 +ATOM 268 C C . ARG A 1 38 ? 26.189 -8.723 -17.29 1 69.361 ? 38 ARG A C 1 1 +ATOM 269 O O . ARG A 1 38 ? 27.307 -8.42 -16.906 1 67.129 ? 38 ARG A O 1 1 +ATOM 270 C CB . ARG A 1 38 ? 24.281 -9.021 -15.673 1 69.069 ? 38 ARG A CB 1 1 +ATOM 271 C CG . ARG A 1 38 ? 24.823 -7.935 -14.764 1 74.123 ? 38 ARG A CG 1 1 +ATOM 272 C CD . ARG A 1 38 ? 23.667 -7.254 -14.042 1 75.836 ? 38 ARG A CD 1 1 +ATOM 273 N NE . ARG A 1 38 ? 24.175 -6.343 -13.01 1 83.175 ? 38 ARG A NE 1 1 +ATOM 274 C CZ . ARG A 1 38 ? 23.445 -5.87 -12.021 1 83.064 ? 38 ARG A CZ 1 1 +ATOM 275 N NH1 . ARG A 1 38 ? 22.149 -6.107 -12.016 1 75.591 ? 38 ARG A NH1 1 1 +ATOM 276 N NH2 . ARG A 1 38 ? 24.005 -5.173 -11.048 1 95.676 ? 38 ARG A NH2 1 1 +ATOM 277 N N . GLN A 1 39 ? 25.629 -8.214 -18.392 1 81.701 ? 39 GLN A N 1 1 +ATOM 278 C CA . GLN A 1 39 ? 26.315 -7.239 -19.222 1 77.763 ? 39 GLN A CA 1 1 +ATOM 279 C C . GLN A 1 39 ? 25.281 -6.253 -19.723 1 79.711 ? 39 GLN A C 1 1 +ATOM 280 O O . GLN A 1 39 ? 24.452 -6.626 -20.558 1 80.972 ? 39 GLN A O 1 1 +ATOM 281 C CB . GLN A 1 39 ? 26.953 -7.936 -20.422 1 79.383 ? 39 GLN A CB 1 1 +ATOM 282 C CG . GLN A 1 39 ? 27.747 -7.008 -21.329 1 82.326 ? 39 GLN A CG 1 1 +ATOM 283 C CD . GLN A 1 39 ? 28.58 -7.733 -22.368 1 93.398 ? 39 GLN A CD 1 1 +ATOM 284 O OE1 . GLN A 1 39 ? 28.099 -8.67 -23.019 1 88.059 ? 39 GLN A OE1 1 1 +ATOM 285 N NE2 . GLN A 1 39 ? 29.833 -7.313 -22.532 1 91.625 ? 39 GLN A NE2 1 1 +ATOM 286 N N . ALA A 1 40 ? 25.327 -5.019 -19.205 1 78.609 ? 40 ALA A N 1 1 +ATOM 287 C CA . ALA A 1 40 ? 24.427 -3.973 -19.676 1 87.022 ? 40 ALA A CA 1 1 +ATOM 288 C C . ALA A 1 40 ? 24.7 -3.668 -21.155 1 98.714 ? 40 ALA A C 1 1 +ATOM 289 O O . ALA A 1 40 ? 25.839 -3.798 -21.592 1 97.831 ? 40 ALA A O 1 1 +ATOM 290 C CB . ALA A 1 40 ? 24.573 -2.751 -18.805 1 84.458 ? 40 ALA A CB 1 1 +ATOM 291 N N . PRO A 1 41 ? 23.686 -3.323 -21.999 1 113.009 ? 41 PRO A N 1 1 +ATOM 292 C CA . PRO A 1 41 ? 23.914 -3.107 -23.435 1 109.067 ? 41 PRO A CA 1 1 +ATOM 293 C C . PRO A 1 41 ? 25.03 -2.101 -23.714 1 87.652 ? 41 PRO A C 1 1 +ATOM 294 O O . PRO A 1 41 ? 25.001 -0.999 -23.193 1 65.491 ? 41 PRO A O 1 1 +ATOM 295 C CB . PRO A 1 41 ? 22.542 -2.63 -23.939 1 113.09 ? 41 PRO A CB 1 1 +ATOM 296 C CG . PRO A 1 41 ? 21.584 -3.333 -23.015 1 116.35 ? 41 PRO A CG 1 1 +ATOM 297 C CD . PRO A 1 41 ? 22.262 -3.202 -21.649 1 118.469 ? 41 PRO A CD 1 1 +ATOM 298 N N . GLY A 1 42 ? 26.038 -2.541 -24.475 1 87.135 ? 42 GLY A N 1 1 +ATOM 299 C CA . GLY A 1 42 ? 27.226 -1.76 -24.778 1 86.4 ? 42 GLY A CA 1 1 +ATOM 300 C C . GLY A 1 42 ? 28.17 -1.531 -23.59 1 93.75 ? 42 GLY A C 1 1 +ATOM 301 O O . GLY A 1 42 ? 29.009 -0.654 -23.667 1 109.732 ? 42 GLY A O 1 1 +ATOM 302 N N . LYS A 1 43 ? 28.094 -2.308 -22.504 1 100.405 ? 43 LYS A N 1 1 +ATOM 303 C CA . LYS A 1 43 ? 29.005 -2.137 -21.375 1 102.318 ? 43 LYS A CA 1 1 +ATOM 304 C C . LYS A 1 43 ? 29.792 -3.427 -21.121 1 94.699 ? 43 LYS A C 1 1 +ATOM 305 O O . LYS A 1 43 ? 29.668 -4.384 -21.875 1 98.265 ? 43 LYS A O 1 1 +ATOM 306 C CB . LYS A 1 43 ? 28.208 -1.788 -20.115 1 105.878 ? 43 LYS A CB 1 1 +ATOM 307 C CG . LYS A 1 43 ? 27.354 -0.543 -20.192 1 108.485 ? 43 LYS A CG 1 1 +ATOM 308 C CD . LYS A 1 43 ? 28.09 0.791 -20.163 1 109.849 ? 43 LYS A CD 1 1 +ATOM 309 C CE . LYS A 1 43 ? 27.209 1.81 -19.449 1 123.268 ? 43 LYS A CE 1 1 +ATOM 310 N NZ . LYS A 1 43 ? 27.249 3.208 -19.913 1 133.187 ? 43 LYS A NZ 1 1 +ATOM 311 N N . GLY A 1 44 ? 30.574 -3.464 -20.036 1 87.591 ? 44 GLY A N 1 1 +ATOM 312 C CA . GLY A 1 44 ? 31.398 -4.62 -19.71 1 87.807 ? 44 GLY A CA 1 1 +ATOM 313 C C . GLY A 1 44 ? 30.632 -5.672 -18.921 1 84.07 ? 44 GLY A C 1 1 +ATOM 314 O O . GLY A 1 44 ? 29.457 -5.492 -18.634 1 93.009 ? 44 GLY A O 1 1 +ATOM 315 N N . LEU A 1 45 ? 31.325 -6.761 -18.58 1 80.236 ? 45 LEU A N 1 1 +ATOM 316 C CA . LEU A 1 45 ? 30.762 -7.868 -17.829 1 70.323 ? 45 LEU A CA 1 1 +ATOM 317 C C . LEU A 1 45 ? 30.825 -7.567 -16.341 1 69.924 ? 45 LEU A C 1 1 +ATOM 318 O O . LEU A 1 45 ? 31.82 -7.047 -15.834 1 85.145 ? 45 LEU A O 1 1 +ATOM 319 C CB . LEU A 1 45 ? 31.587 -9.112 -18.115 1 75.939 ? 45 LEU A CB 1 1 +ATOM 320 C CG . LEU A 1 45 ? 31.682 -9.54 -19.581 1 78.541 ? 45 LEU A CG 1 1 +ATOM 321 C CD1 . LEU A 1 45 ? 32.82 -10.543 -19.749 1 75.338 ? 45 LEU A CD1 1 1 +ATOM 322 C CD2 . LEU A 1 45 ? 30.377 -10.143 -20.067 1 75.584 ? 45 LEU A CD2 1 1 +ATOM 323 N N . GLU A 1 46 ? 29.768 -7.959 -15.646 1 70.141 ? 46 GLU A N 1 1 +ATOM 324 C CA . GLU A 1 46 ? 29.68 -7.788 -14.207 1 85.794 ? 46 GLU A CA 1 1 +ATOM 325 C C . GLU A 1 46 ? 29.18 -9.103 -13.623 1 85.601 ? 46 GLU A C 1 1 +ATOM 326 O O . GLU A 1 46 ? 28.084 -9.563 -13.955 1 85.458 ? 46 GLU A O 1 1 +ATOM 327 C CB . GLU A 1 46 ? 28.704 -6.669 -13.829 1 106.244 ? 46 GLU A CB 1 1 +ATOM 328 C CG . GLU A 1 46 ? 28.612 -6.359 -12.332 1 119.906 ? 46 GLU A CG 1 1 +ATOM 329 C CD . GLU A 1 46 ? 27.403 -5.548 -11.859 1 119.635 ? 46 GLU A CD 1 1 +ATOM 330 O OE1 . GLU A 1 46 ? 27.156 -5.492 -10.629 1 106.489 ? 46 GLU A OE1 1 1 +ATOM 331 O OE2 . GLU A 1 46 ? 26.711 -4.95 -12.706 1 125.065 ? 46 GLU A OE2 1 1 +ATOM 332 N N . TRP A 1 47 ? 29.99 -9.693 -12.747 1 80.18 ? 47 TRP A N 1 1 +ATOM 333 C CA . TRP A 1 47 ? 29.604 -10.897 -12.037 1 75.005 ? 47 TRP A CA 1 1 +ATOM 334 C C . TRP A 1 47 ? 28.476 -10.58 -11.053 1 77.586 ? 47 TRP A C 1 1 +ATOM 335 O O . TRP A 1 47 ? 28.52 -9.544 -10.387 1 79.577 ? 47 TRP A O 1 1 +ATOM 336 C CB . TRP A 1 47 ? 30.847 -11.447 -11.333 1 72.863 ? 47 TRP A CB 1 1 +ATOM 337 C CG . TRP A 1 47 ? 30.6 -12.67 -10.499 1 74.01 ? 47 TRP A CG 1 1 +ATOM 338 C CD1 . TRP A 1 47 ? 30.652 -13.969 -10.915 1 93.781 ? 47 TRP A CD1 1 1 +ATOM 339 C CD2 . TRP A 1 47 ? 30.328 -12.717 -9.091 1 72.323 ? 47 TRP A CD2 1 1 +ATOM 340 N NE1 . TRP A 1 47 ? 30.391 -14.824 -9.88 1 90.165 ? 47 TRP A NE1 1 1 +ATOM 341 C CE2 . TRP A 1 47 ? 30.206 -14.083 -8.743 1 89.208 ? 47 TRP A CE2 1 1 +ATOM 342 C CE3 . TRP A 1 47 ? 30.178 -11.752 -8.098 1 73.003 ? 47 TRP A CE3 1 1 +ATOM 343 C CZ2 . TRP A 1 47 ? 29.945 -14.499 -7.44 1 88.744 ? 47 TRP A CZ2 1 1 +ATOM 344 C CZ3 . TRP A 1 47 ? 29.946 -12.166 -6.806 1 77.865 ? 47 TRP A CZ3 1 1 +ATOM 345 C CH2 . TRP A 1 47 ? 29.837 -13.52 -6.482 1 80.318 ? 47 TRP A CH2 1 1 +ATOM 346 N N . VAL A 1 48 ? 27.473 -11.468 -10.978 1 76.479 ? 48 VAL A N 1 1 +ATOM 347 C CA . VAL A 1 48 ? 26.263 -11.224 -10.201 1 77.11 ? 48 VAL A CA 1 1 +ATOM 348 C C . VAL A 1 48 ? 26.279 -12.114 -8.961 1 75.179 ? 48 VAL A C 1 1 +ATOM 349 O O . VAL A 1 48 ? 26.149 -11.616 -7.85 1 76.118 ? 48 VAL A O 1 1 +ATOM 350 C CB . VAL A 1 48 ? 24.952 -11.385 -11.014 1 73.144 ? 48 VAL A CB 1 1 +ATOM 351 C CG1 . VAL A 1 48 ? 23.678 -11.311 -10.163 1 70.607 ? 48 VAL A CG1 1 1 +ATOM 352 C CG2 . VAL A 1 48 ? 24.908 -10.373 -12.165 1 72.703 ? 48 VAL A CG2 1 1 +ATOM 353 N N . SER A 1 49 ? 26.386 -13.433 -9.146 1 77.132 ? 49 SER A N 1 1 +ATOM 354 C CA . SER A 1 49 ? 26.352 -14.36 -8.018 1 73.468 ? 49 SER A CA 1 1 +ATOM 355 C C . SER A 1 49 ? 26.887 -15.716 -8.445 1 71.843 ? 49 SER A C 1 1 +ATOM 356 O O . SER A 1 49 ? 27.023 -16.005 -9.639 1 66.348 ? 49 SER A O 1 1 +ATOM 357 C CB . SER A 1 49 ? 24.99 -14.512 -7.414 1 67.923 ? 49 SER A CB 1 1 +ATOM 358 O OG . SER A 1 49 ? 24.073 -14.857 -8.427 1 94.148 ? 49 SER A OG 1 1 +ATOM 359 N N . ALA A 1 50 ? 27.207 -16.525 -7.43 1 75.107 ? 50 ALA A N 1 1 +ATOM 360 C CA . ALA A 1 50 ? 27.728 -17.864 -7.654 1 84.533 ? 50 ALA A CA 1 1 +ATOM 361 C C . ALA A 1 50 ? 27.14 -18.821 -6.625 1 87.484 ? 50 ALA A C 1 1 +ATOM 362 O O . ALA A 1 50 ? 26.865 -18.421 -5.492 1 86.196 ? 50 ALA A O 1 1 +ATOM 363 C CB . ALA A 1 50 ? 29.242 -17.876 -7.603 1 86.355 ? 50 ALA A CB 1 1 +ATOM 364 N N . ILE A 1 51 ? 26.977 -20.087 -7.043 1 91.144 ? 51 ILE A N 1 1 +ATOM 365 C CA . ILE A 1 51 ? 26.427 -21.128 -6.188 1 86.821 ? 51 ILE A CA 1 1 +ATOM 366 C C . ILE A 1 51 ? 27.259 -22.402 -6.353 1 76.288 ? 51 ILE A C 1 1 +ATOM 367 O O . ILE A 1 51 ? 27.727 -22.725 -7.441 1 76.747 ? 51 ILE A O 1 1 +ATOM 368 C CB . ILE A 1 51 ? 24.924 -21.327 -6.462 1 79.482 ? 51 ILE A CB 1 1 +ATOM 369 C CG1 . ILE A 1 51 ? 24.312 -22.319 -5.481 1 78.583 ? 51 ILE A CG1 1 1 +ATOM 370 C CG2 . ILE A 1 51 ? 24.679 -21.723 -7.916 1 80.601 ? 51 ILE A CG2 1 1 +ATOM 371 C CD1 . ILE A 1 51 ? 22.796 -22.364 -5.529 1 85.918 ? 51 ILE A CD1 1 1 +ATOM 372 N N . SER A 1 52 ? 27.499 -23.102 -5.244 1 77.554 ? 52 SER A N 1 1 +ATOM 373 C CA . SER A 1 52 ? 28.328 -24.295 -5.275 1 82.241 ? 52 SER A CA 1 1 +ATOM 374 C C . SER A 1 52 ? 27.541 -25.405 -5.953 1 88.581 ? 52 SER A C 1 1 +ATOM 375 O O . SER A 1 52 ? 26.327 -25.272 -6.144 1 88.279 ? 52 SER A O 1 1 +ATOM 376 C CB . SER A 1 52 ? 28.771 -24.698 -3.89 1 85.65 ? 52 SER A CB 1 1 +ATOM 377 O OG . SER A 1 52 ? 27.645 -24.965 -3.068 1 79.28 ? 52 SER A OG 1 1 +ATOM 378 N N . GLY A 1 53 A 28.236 -26.499 -6.304 1 94.675 ? 52 GLY A N 1 1 +ATOM 379 C CA . GLY A 1 53 A 27.614 -27.64 -6.97 1 95.721 ? 52 GLY A CA 1 1 +ATOM 380 C C . GLY A 1 53 A 26.443 -28.233 -6.178 1 84.776 ? 52 GLY A C 1 1 +ATOM 381 O O . GLY A 1 53 A 25.519 -28.819 -6.751 1 80.228 ? 52 GLY A O 1 1 +ATOM 382 N N . SER A 1 54 ? 26.514 -28.076 -4.852 1 69.726 ? 53 SER A N 1 1 +ATOM 383 C CA . SER A 1 54 ? 25.561 -28.642 -3.922 1 65.387 ? 53 SER A CA 1 1 +ATOM 384 C C . SER A 1 54 ? 24.469 -27.644 -3.565 1 75.536 ? 53 SER A C 1 1 +ATOM 385 O O . SER A 1 54 ? 23.44 -28.046 -3.048 1 80.583 ? 53 SER A O 1 1 +ATOM 386 C CB . SER A 1 54 ? 26.289 -29.055 -2.688 1 67.425 ? 53 SER A CB 1 1 +ATOM 387 O OG . SER A 1 54 ? 26.782 -27.938 -1.948 1 64.213 ? 53 SER A OG 1 1 +ATOM 388 N N . GLY A 1 55 ? 24.734 -26.346 -3.766 1 84.712 ? 54 GLY A N 1 1 +ATOM 389 C CA . GLY A 1 55 ? 23.796 -25.296 -3.418 1 81.534 ? 54 GLY A CA 1 1 +ATOM 390 C C . GLY A 1 55 ? 24.05 -24.763 -2.012 1 78.979 ? 54 GLY A C 1 1 +ATOM 391 O O . GLY A 1 55 ? 23.388 -23.817 -1.599 1 85.751 ? 54 GLY A O 1 1 +ATOM 392 N N . GLY A 1 56 ? 25.03 -25.336 -1.305 1 79.359 ? 55 GLY A N 1 1 +ATOM 393 C CA . GLY A 1 56 ? 25.247 -25.041 0.11 1 90.804 ? 55 GLY A CA 1 1 +ATOM 394 C C . GLY A 1 56 ? 25.932 -23.696 0.352 1 81.663 ? 55 GLY A C 1 1 +ATOM 395 O O . GLY A 1 56 ? 25.742 -23.065 1.392 1 80.96 ? 55 GLY A O 1 1 +ATOM 396 N N . SER A 1 57 ? 26.72 -23.267 -0.633 1 78.94 ? 56 SER A N 1 1 +ATOM 397 C CA . SER A 1 57 ? 27.421 -21.997 -0.566 1 83.819 ? 56 SER A CA 1 1 +ATOM 398 C C . SER A 1 57 ? 26.897 -21.083 -1.679 1 78.363 ? 56 SER A C 1 1 +ATOM 399 O O . SER A 1 57 ? 26.92 -21.464 -2.846 1 74.608 ? 56 SER A O 1 1 +ATOM 400 C CB . SER A 1 57 ? 28.914 -22.227 -0.674 1 85.167 ? 56 SER A CB 1 1 +ATOM 401 O OG . SER A 1 57 ? 29.367 -23.219 0.232 1 83.512 ? 56 SER A OG 1 1 +ATOM 402 N N . THR A 1 58 ? 26.385 -19.897 -1.307 1 73.016 ? 57 THR A N 1 1 +ATOM 403 C CA . THR A 1 58 ? 26.021 -18.872 -2.27 1 65.791 ? 57 THR A CA 1 1 +ATOM 404 C C . THR A 1 58 ? 26.785 -17.594 -1.95 1 67.341 ? 57 THR A C 1 1 +ATOM 405 O O . THR A 1 58 ? 26.952 -17.286 -0.766 1 82.258 ? 57 THR A O 1 1 +ATOM 406 C CB . THR A 1 58 ? 24.502 -18.649 -2.287 1 72.645 ? 57 THR A CB 1 1 +ATOM 407 O OG1 . THR A 1 58 ? 24.035 -17.886 -1.165 1 71.277 ? 57 THR A OG1 1 1 +ATOM 408 C CG2 . THR A 1 58 ? 23.754 -19.959 -2.501 1 71.864 ? 57 THR A CG2 1 1 +ATOM 409 N N . TYR A 1 59 ? 27.218 -16.887 -3.02 1 67.622 ? 58 TYR A N 1 1 +ATOM 410 C CA . TYR A 1 59 ? 27.896 -15.587 -2.971 1 66.268 ? 58 TYR A CA 1 1 +ATOM 411 C C . TYR A 1 59 ? 27.157 -14.587 -3.871 1 70.273 ? 58 TYR A C 1 1 +ATOM 412 O O . TYR A 1 59 ? 26.59 -14.977 -4.893 1 73.376 ? 58 TYR A O 1 1 +ATOM 413 C CB . TYR A 1 59 ? 29.376 -15.752 -3.366 1 64.414 ? 58 TYR A CB 1 1 +ATOM 414 C CG . TYR A 1 59 ? 30.056 -16.839 -2.539 1 67.863 ? 58 TYR A CG 1 1 +ATOM 415 C CD1 . TYR A 1 59 ? 30.561 -16.565 -1.267 1 74.944 ? 58 TYR A CD1 1 1 +ATOM 416 C CD2 . TYR A 1 59 ? 30.097 -18.156 -2.974 1 65.852 ? 58 TYR A CD2 1 1 +ATOM 417 C CE1 . TYR A 1 59 ? 31.097 -17.553 -0.457 1 74.683 ? 58 TYR A CE1 1 1 +ATOM 418 C CE2 . TYR A 1 59 ? 30.645 -19.15 -2.18 1 70.166 ? 58 TYR A CE2 1 1 +ATOM 419 C CZ . TYR A 1 59 ? 31.148 -18.849 -0.924 1 75.508 ? 58 TYR A CZ 1 1 +ATOM 420 O OH . TYR A 1 59 ? 31.701 -19.808 -0.13 1 94.277 ? 58 TYR A OH 1 1 +ATOM 421 N N . TYR A 1 60 ? 27.18 -13.287 -3.516 1 77.289 ? 59 TYR A N 1 1 +ATOM 422 C CA . TYR A 1 60 ? 26.49 -12.236 -4.265 1 71.486 ? 59 TYR A CA 1 1 +ATOM 423 C C . TYR A 1 60 ? 27.376 -11.002 -4.432 1 78.433 ? 59 TYR A C 1 1 +ATOM 424 O O . TYR A 1 60 ? 28.243 -10.722 -3.61 1 86.026 ? 59 TYR A O 1 1 +ATOM 425 C CB . TYR A 1 60 ? 25.175 -11.836 -3.584 1 75.1 ? 59 TYR A CB 1 1 +ATOM 426 C CG . TYR A 1 60 ? 24.184 -12.988 -3.447 1 78.555 ? 59 TYR A CG 1 1 +ATOM 427 C CD1 . TYR A 1 60 ? 24.257 -13.884 -2.388 1 69.716 ? 59 TYR A CD1 1 1 +ATOM 428 C CD2 . TYR A 1 60 ? 23.212 -13.216 -4.413 1 84.333 ? 59 TYR A CD2 1 1 +ATOM 429 C CE1 . TYR A 1 60 ? 23.409 -14.974 -2.305 1 72.758 ? 59 TYR A CE1 1 1 +ATOM 430 C CE2 . TYR A 1 60 ? 22.32 -14.276 -4.311 1 86.631 ? 59 TYR A CE2 1 1 +ATOM 431 C CZ . TYR A 1 60 ? 22.412 -15.154 -3.246 1 84.444 ? 59 TYR A CZ 1 1 +ATOM 432 O OH . TYR A 1 60 ? 21.555 -16.208 -3.087 1 93.481 ? 59 TYR A OH 1 1 +ATOM 433 N N . ALA A 1 61 ? 27.146 -10.266 -5.524 1 95.309 ? 60 ALA A N 1 1 +ATOM 434 C CA . ALA A 1 61 ? 27.821 -9.003 -5.794 1 97.92 ? 60 ALA A CA 1 1 +ATOM 435 C C . ALA A 1 61 ? 27.226 -7.923 -4.909 1 92.553 ? 60 ALA A C 1 1 +ATOM 436 O O . ALA A 1 61 ? 26.063 -8.043 -4.495 1 82.837 ? 60 ALA A O 1 1 +ATOM 437 C CB . ALA A 1 61 ? 27.654 -8.623 -7.243 1 103.608 ? 60 ALA A CB 1 1 +ATOM 438 N N . ASP A 1 62 ? 28.025 -6.873 -4.661 1 92.073 ? 61 ASP A N 1 1 +ATOM 439 C CA . ASP A 1 62 ? 27.607 -5.8 -3.776 1 93.327 ? 61 ASP A CA 1 1 +ATOM 440 C C . ASP A 1 62 ? 26.265 -5.233 -4.254 1 86.52 ? 61 ASP A C 1 1 +ATOM 441 O O . ASP A 1 62 ? 25.364 -5.092 -3.439 1 74.857 ? 61 ASP A O 1 1 +ATOM 442 C CB . ASP A 1 62 ? 28.753 -4.822 -3.556 1 95.569 ? 61 ASP A CB 1 1 +ATOM 443 C CG . ASP A 1 62 ? 29.821 -5.272 -2.567 1 92.744 ? 61 ASP A CG 1 1 +ATOM 444 O OD1 . ASP A 1 62 ? 29.502 -6.074 -1.676 1 92.334 ? 61 ASP A OD1 1 1 +ATOM 445 O OD2 . ASP A 1 62 ? 30.973 -4.836 -2.707 1 93.164 ? 61 ASP A OD2 1 1 +ATOM 446 N N . SER A 1 63 ? 26.131 -4.955 -5.567 1 88.574 ? 62 SER A N 1 1 +ATOM 447 C CA . SER A 1 63 ? 24.976 -4.28 -6.162 1 83.775 ? 62 SER A CA 1 1 +ATOM 448 C C . SER A 1 63 ? 23.671 -5.087 -6.071 1 88.251 ? 62 SER A C 1 1 +ATOM 449 O O . SER A 1 63 ? 22.579 -4.511 -6.101 1 84.287 ? 62 SER A O 1 1 +ATOM 450 C CB . SER A 1 63 ? 25.267 -3.906 -7.606 1 85.856 ? 62 SER A CB 1 1 +ATOM 451 O OG . SER A 1 63 ? 25.897 -4.971 -8.312 1 93.052 ? 62 SER A OG 1 1 +ATOM 452 N N . VAL A 1 64 ? 23.762 -6.42 -5.95 1 92.394 ? 63 VAL A N 1 1 +ATOM 453 C CA . VAL A 1 64 ? 22.563 -7.243 -6.013 1 99.45 ? 63 VAL A CA 1 1 +ATOM 454 C C . VAL A 1 64 ? 22.226 -7.844 -4.654 1 89.003 ? 63 VAL A C 1 1 +ATOM 455 O O . VAL A 1 64 ? 21.262 -8.605 -4.585 1 78.8 ? 63 VAL A O 1 1 +ATOM 456 C CB . VAL A 1 64 ? 22.643 -8.367 -7.065 1 105.403 ? 63 VAL A CB 1 1 +ATOM 457 C CG1 . VAL A 1 64 ? 22.878 -7.807 -8.454 1 114.7 ? 63 VAL A CG1 1 1 +ATOM 458 C CG2 . VAL A 1 64 ? 23.702 -9.413 -6.739 1 106.684 ? 63 VAL A CG2 1 1 +ATOM 459 N N . LYS A 1 65 ? 22.985 -7.502 -3.6 1 82.874 ? 64 LYS A N 1 1 +ATOM 460 C CA . LYS A 1 65 ? 22.779 -8.115 -2.293 1 83.569 ? 64 LYS A CA 1 1 +ATOM 461 C C . LYS A 1 65 ? 21.406 -7.744 -1.751 1 83.242 ? 64 LYS A C 1 1 +ATOM 462 O O . LYS A 1 65 ? 20.985 -6.599 -1.861 1 98.27 ? 64 LYS A O 1 1 +ATOM 463 C CB . LYS A 1 65 ? 23.84 -7.703 -1.27 1 88.523 ? 64 LYS A CB 1 1 +ATOM 464 C CG . LYS A 1 65 ? 25.093 -8.561 -1.248 1 100.264 ? 64 LYS A CG 1 1 +ATOM 465 C CD . LYS A 1 65 ? 26.219 -7.898 -0.465 1 108.073 ? 64 LYS A CD 1 1 +ATOM 466 C CE . LYS A 1 65 ? 27.287 -8.824 -0.048 1 107.182 ? 64 LYS A CE 1 1 +ATOM 467 N NZ . LYS A 1 65 ? 27.951 -8.21 1.102 1 124.198 ? 64 LYS A NZ 1 1 +ATOM 468 N N . GLY A 1 66 ? 20.695 -8.717 -1.179 1 80.994 ? 65 GLY A N 1 1 +ATOM 469 C CA . GLY A 1 66 ? 19.425 -8.429 -0.531 1 88.305 ? 65 GLY A CA 1 1 +ATOM 470 C C . GLY A 1 66 ? 18.234 -8.409 -1.493 1 94.281 ? 65 GLY A C 1 1 +ATOM 471 O O . GLY A 1 66 ? 17.089 -8.457 -1.047 1 92.453 ? 65 GLY A O 1 1 +ATOM 472 N N . ARG A 1 67 ? 18.504 -8.368 -2.805 1 97.492 ? 66 ARG A N 1 1 +ATOM 473 C CA . ARG A 1 67 ? 17.455 -8.304 -3.81 1 97.483 ? 66 ARG A CA 1 1 +ATOM 474 C C . ARG A 1 67 ? 17.377 -9.575 -4.667 1 94.459 ? 66 ARG A C 1 1 +ATOM 475 O O . ARG A 1 67 ? 16.301 -9.961 -5.108 1 80.836 ? 66 ARG A O 1 1 +ATOM 476 C CB . ARG A 1 67 ? 17.718 -7.069 -4.672 1 98.79 ? 66 ARG A CB 1 1 +ATOM 477 C CG . ARG A 1 67 ? 17.742 -5.782 -3.865 1 101.959 ? 66 ARG A CG 1 1 +ATOM 478 C CD . ARG A 1 67 ? 17.763 -4.572 -4.771 1 104.871 ? 66 ARG A CD 1 1 +ATOM 479 N NE . ARG A 1 67 ? 18.904 -4.558 -5.69 1 99.402 ? 66 ARG A NE 1 1 +ATOM 480 C CZ . ARG A 1 67 ? 18.786 -4.592 -7.007 1 93.34 ? 66 ARG A CZ 1 1 +ATOM 481 N NH1 . ARG A 1 67 ? 17.588 -4.585 -7.582 1 91.747 ? 66 ARG A NH1 1 1 +ATOM 482 N NH2 . ARG A 1 67 ? 19.883 -4.679 -7.734 1 88.551 ? 66 ARG A NH2 1 1 +ATOM 483 N N . PHE A 1 68 ? 18.527 -10.187 -4.966 1 103.565 ? 67 PHE A N 1 1 +ATOM 484 C CA . PHE A 1 68 ? 18.605 -11.324 -5.876 1 95.067 ? 67 PHE A CA 1 1 +ATOM 485 C C . PHE A 1 68 ? 18.869 -12.612 -5.085 1 87.073 ? 67 PHE A C 1 1 +ATOM 486 O O . PHE A 1 68 ? 19.564 -12.588 -4.077 1 93.793 ? 67 PHE A O 1 1 +ATOM 487 C CB . PHE A 1 68 ? 19.71 -11.041 -6.906 1 92.165 ? 67 PHE A CB 1 1 +ATOM 488 C CG . PHE A 1 68 ? 19.41 -10.037 -8.016 1 83.841 ? 67 PHE A CG 1 1 +ATOM 489 C CD1 . PHE A 1 68 ? 18.43 -9.067 -7.88 1 87.937 ? 67 PHE A CD1 1 1 +ATOM 490 C CD2 . PHE A 1 68 ? 20.136 -10.067 -9.205 1 84.871 ? 67 PHE A CD2 1 1 +ATOM 491 C CE1 . PHE A 1 68 ? 18.187 -8.164 -8.91 1 93.57 ? 67 PHE A CE1 1 1 +ATOM 492 C CE2 . PHE A 1 68 ? 19.871 -9.189 -10.244 1 79.045 ? 67 PHE A CE2 1 1 +ATOM 493 C CZ . PHE A 1 68 ? 18.901 -8.232 -10.094 1 84.706 ? 67 PHE A CZ 1 1 +ATOM 494 N N . THR A 1 69 ? 18.358 -13.755 -5.558 1 80.667 ? 68 THR A N 1 1 +ATOM 495 C CA . THR A 1 69 ? 18.594 -15.023 -4.884 1 80.64 ? 68 THR A CA 1 1 +ATOM 496 C C . THR A 1 69 ? 18.95 -16.107 -5.889 1 85.42 ? 68 THR A C 1 1 +ATOM 497 O O . THR A 1 69 ? 18.105 -16.469 -6.712 1 101.106 ? 68 THR A O 1 1 +ATOM 498 C CB . THR A 1 69 ? 17.331 -15.446 -4.148 1 82.168 ? 68 THR A CB 1 1 +ATOM 499 O OG1 . THR A 1 69 ? 17.054 -14.487 -3.145 1 90.197 ? 68 THR A OG1 1 1 +ATOM 500 C CG2 . THR A 1 69 ? 17.514 -16.756 -3.422 1 83.104 ? 68 THR A CG2 1 1 +ATOM 501 N N . ILE A 1 70 ? 20.168 -16.659 -5.782 1 82.025 ? 69 ILE A N 1 1 +ATOM 502 C CA . ILE A 1 70 ? 20.606 -17.721 -6.682 1 86.613 ? 69 ILE A CA 1 1 +ATOM 503 C C . ILE A 1 70 ? 20.297 -19.086 -6.055 1 93.057 ? 69 ILE A C 1 1 +ATOM 504 O O . ILE A 1 70 ? 20.627 -19.332 -4.893 1 89.591 ? 69 ILE A O 1 1 +ATOM 505 C CB . ILE A 1 70 ? 22.089 -17.575 -7.087 1 82.489 ? 69 ILE A CB 1 1 +ATOM 506 C CG1 . ILE A 1 70 ? 22.484 -18.601 -8.139 1 85.558 ? 69 ILE A CG1 1 1 +ATOM 507 C CG2 . ILE A 1 70 ? 23.05 -17.65 -5.904 1 80.031 ? 69 ILE A CG2 1 1 +ATOM 508 C CD1 . ILE A 1 70 ? 23.82 -18.308 -8.792 1 90.75 ? 69 ILE A CD1 1 1 +ATOM 509 N N . SER A 1 71 ? 19.639 -19.959 -6.841 1 91.067 ? 70 SER A N 1 1 +ATOM 510 C CA . SER A 1 71 ? 19.251 -21.3 -6.416 1 85.922 ? 70 SER A CA 1 1 +ATOM 511 C C . SER A 1 71 ? 19.487 -22.302 -7.536 1 83.043 ? 70 SER A C 1 1 +ATOM 512 O O . SER A 1 71 ? 19.778 -21.904 -8.654 1 92.238 ? 70 SER A O 1 1 +ATOM 513 C CB . SER A 1 71 ? 17.825 -21.334 -6.006 1 92.889 ? 70 SER A CB 1 1 +ATOM 514 O OG . SER A 1 71 ? 17.021 -20.679 -6.971 1 99.325 ? 70 SER A OG 1 1 +ATOM 515 N N . ARG A 1 72 ? 19.377 -23.605 -7.231 1 88.268 ? 71 ARG A N 1 1 +ATOM 516 C CA . ARG A 1 72 ? 19.544 -24.647 -8.245 1 78.452 ? 71 ARG A CA 1 1 +ATOM 517 C C . ARG A 1 72 ? 18.765 -25.902 -7.868 1 75.595 ? 71 ARG A C 1 1 +ATOM 518 O O . ARG A 1 72 ? 18.492 -26.128 -6.699 1 93.566 ? 71 ARG A O 1 1 +ATOM 519 C CB . ARG A 1 72 ? 21.009 -25.018 -8.499 1 69.57 ? 71 ARG A CB 1 1 +ATOM 520 C CG . ARG A 1 72 ? 21.725 -25.625 -7.308 1 70.918 ? 71 ARG A CG 1 1 +ATOM 521 C CD . ARG A 1 72 ? 23.232 -25.562 -7.474 1 69.58 ? 71 ARG A CD 1 1 +ATOM 522 N NE . ARG A 1 72 ? 23.683 -26.397 -8.592 1 72.446 ? 71 ARG A NE 1 1 +ATOM 523 C CZ . ARG A 1 72 ? 24.861 -26.333 -9.23 1 71.081 ? 71 ARG A CZ 1 1 +ATOM 524 N NH1 . ARG A 1 72 ? 25.713 -25.373 -8.951 1 76.705 ? 71 ARG A NH1 1 1 +ATOM 525 N NH2 . ARG A 1 72 ? 25.204 -27.199 -10.174 1 66.256 ? 71 ARG A NH2 1 1 +ATOM 526 N N . ASP A 1 73 ? 18.376 -26.68 -8.882 1 82.639 ? 72 ASP A N 1 1 +ATOM 527 C CA . ASP A 1 73 ? 17.716 -27.97 -8.71 1 91.035 ? 72 ASP A CA 1 1 +ATOM 528 C C . ASP A 1 73 ? 18.562 -28.988 -9.458 1 87.683 ? 72 ASP A C 1 1 +ATOM 529 O O . ASP A 1 73 ? 18.572 -28.994 -10.69 1 86.993 ? 72 ASP A O 1 1 +ATOM 530 C CB . ASP A 1 73 ? 16.287 -27.951 -9.24 1 101.261 ? 72 ASP A CB 1 1 +ATOM 531 C CG . ASP A 1 73 ? 15.388 -29.14 -8.905 1 107.54 ? 72 ASP A CG 1 1 +ATOM 532 O OD1 . ASP A 1 73 ? 15.908 -30.148 -8.363 1 110.165 ? 72 ASP A OD1 1 1 +ATOM 533 O OD2 . ASP A 1 73 ? 14.154 -29.044 -9.158 1 109.954 ? 72 ASP A OD2 1 1 +ATOM 534 N N . ASN A 1 74 ? 19.333 -29.799 -8.731 1 78.234 ? 73 ASN A N 1 1 +ATOM 535 C CA . ASN A 1 74 ? 20.292 -30.634 -9.431 1 77.982 ? 73 ASN A CA 1 1 +ATOM 536 C C . ASN A 1 74 ? 19.572 -31.803 -10.1 1 88.004 ? 73 ASN A C 1 1 +ATOM 537 O O . ASN A 1 74 ? 20.087 -32.372 -11.057 1 85.87 ? 73 ASN A O 1 1 +ATOM 538 C CB . ASN A 1 74 ? 21.409 -31.109 -8.515 1 75.018 ? 73 ASN A CB 1 1 +ATOM 539 C CG . ASN A 1 74 ? 22.339 -30.008 -8.105 1 70.908 ? 73 ASN A CG 1 1 +ATOM 540 O OD1 . ASN A 1 74 ? 22.411 -28.973 -8.754 1 87.292 ? 73 ASN A OD1 1 1 +ATOM 541 N ND2 . ASN A 1 74 ? 23.072 -30.214 -7.038 1 80.102 ? 73 ASN A ND2 1 1 +ATOM 542 N N . SER A 1 75 ? 18.403 -32.18 -9.562 1 98.064 ? 74 SER A N 1 1 +ATOM 543 C CA . SER A 1 75 ? 17.574 -33.218 -10.151 1 100.578 ? 74 SER A CA 1 1 +ATOM 544 C C . SER A 1 75 ? 17.019 -32.77 -11.509 1 103.497 ? 74 SER A C 1 1 +ATOM 545 O O . SER A 1 75 ? 16.784 -33.596 -12.379 1 126.902 ? 74 SER A O 1 1 +ATOM 546 C CB . SER A 1 75 ? 16.471 -33.616 -9.203 1 106.982 ? 74 SER A CB 1 1 +ATOM 547 O OG . SER A 1 75 ? 15.628 -32.514 -8.885 1 113.265 ? 74 SER A OG 1 1 +ATOM 548 N N . LYS A 1 76 ? 16.798 -31.467 -11.706 1 94.392 ? 75 LYS A N 1 1 +ATOM 549 C CA . LYS A 1 76 ? 16.3 -30.946 -12.969 1 95.173 ? 75 LYS A CA 1 1 +ATOM 550 C C . LYS A 1 76 ? 17.405 -30.33 -13.838 1 93.852 ? 75 LYS A C 1 1 +ATOM 551 O O . LYS A 1 76 ? 17.107 -29.841 -14.924 1 89.864 ? 75 LYS A O 1 1 +ATOM 552 C CB . LYS A 1 76 ? 15.219 -29.907 -12.664 1 100.925 ? 75 LYS A CB 1 1 +ATOM 553 C CG . LYS A 1 76 ? 13.828 -30.498 -12.511 1 121.169 ? 75 LYS A CG 1 1 +ATOM 554 C CD . LYS A 1 76 ? 12.723 -29.476 -12.269 1 141.804 ? 75 LYS A CD 1 1 +ATOM 555 C CE . LYS A 1 76 ? 12.704 -28.335 -13.254 1 152.046 ? 75 LYS A CE 1 1 +ATOM 556 N NZ . LYS A 1 76 ? 12.672 -28.804 -14.643 1 159.899 ? 75 LYS A NZ 1 1 +ATOM 557 N N . ASN A 1 77 ? 18.66 -30.32 -13.36 1 91.949 ? 76 ASN A N 1 1 +ATOM 558 C CA . ASN A 1 77 ? 19.794 -29.682 -14.032 1 86.932 ? 76 ASN A CA 1 1 +ATOM 559 C C . ASN A 1 77 ? 19.481 -28.243 -14.451 1 87.73 ? 76 ASN A C 1 1 +ATOM 560 O O . ASN A 1 77 ? 19.897 -27.802 -15.522 1 88.064 ? 76 ASN A O 1 1 +ATOM 561 C CB . ASN A 1 77 ? 20.303 -30.488 -15.224 1 79.326 ? 76 ASN A CB 1 1 +ATOM 562 C CG . ASN A 1 77 ? 21.068 -31.719 -14.805 1 82.513 ? 76 ASN A CG 1 1 +ATOM 563 O OD1 . ASN A 1 77 ? 21.358 -31.933 -13.623 1 81.801 ? 76 ASN A OD1 1 1 +ATOM 564 N ND2 . ASN A 1 77 ? 21.494 -32.502 -15.778 1 97.869 ? 76 ASN A ND2 1 1 +ATOM 565 N N . THR A 1 78 ? 18.804 -27.501 -13.568 1 83.662 ? 77 THR A N 1 1 +ATOM 566 C CA . THR A 1 78 ? 18.392 -26.138 -13.843 1 79.172 ? 77 THR A CA 1 1 +ATOM 567 C C . THR A 1 78 ? 18.959 -25.225 -12.759 1 81.677 ? 77 THR A C 1 1 +ATOM 568 O O . THR A 1 78 ? 19.003 -25.613 -11.597 1 88.484 ? 77 THR A O 1 1 +ATOM 569 C CB . THR A 1 78 ? 16.866 -26.079 -13.886 1 83.719 ? 77 THR A CB 1 1 +ATOM 570 O OG1 . THR A 1 78 ? 16.374 -27.139 -14.692 1 94.189 ? 77 THR A OG1 1 1 +ATOM 571 C CG2 . THR A 1 78 ? 16.347 -24.817 -14.544 1 95.11 ? 77 THR A CG2 1 1 +ATOM 572 N N . LEU A 1 79 ? 19.358 -24.008 -13.154 1 79.401 ? 78 LEU A N 1 1 +ATOM 573 C CA . LEU A 1 79 ? 19.897 -22.989 -12.261 1 77.579 ? 78 LEU A CA 1 1 +ATOM 574 C C . LEU A 1 79 ? 18.948 -21.794 -12.306 1 74.914 ? 78 LEU A C 1 1 +ATOM 575 O O . LEU A 1 79 ? 18.556 -21.401 -13.385 1 87.068 ? 78 LEU A O 1 1 +ATOM 576 C CB . LEU A 1 79 ? 21.304 -22.605 -12.742 1 72.422 ? 78 LEU A CB 1 1 +ATOM 577 C CG . LEU A 1 79 ? 21.937 -21.38 -12.069 1 66.612 ? 78 LEU A CG 1 1 +ATOM 578 C CD1 . LEU A 1 79 ? 22.539 -21.732 -10.746 1 67.734 ? 78 LEU A CD1 1 1 +ATOM 579 C CD2 . LEU A 1 79 ? 22.986 -20.744 -12.923 1 70.567 ? 78 LEU A CD2 1 1 +ATOM 580 N N . TYR A 1 80 ? 18.584 -21.202 -11.164 1 81.273 ? 79 TYR A N 1 1 +ATOM 581 C CA . TYR A 1 80 ? 17.604 -20.124 -11.132 1 82.833 ? 79 TYR A CA 1 1 +ATOM 582 C C . TYR A 1 80 ? 18.215 -18.847 -10.553 1 83.585 ? 79 TYR A C 1 1 +ATOM 583 O O . TYR A 1 80 ? 19.186 -18.904 -9.792 1 79.814 ? 79 TYR A O 1 1 +ATOM 584 C CB . TYR A 1 80 ? 16.38 -20.502 -10.289 1 82.327 ? 79 TYR A CB 1 1 +ATOM 585 C CG . TYR A 1 80 ? 15.666 -21.761 -10.748 1 74.735 ? 79 TYR A CG 1 1 +ATOM 586 C CD1 . TYR A 1 80 ? 14.793 -21.721 -11.82 1 79.984 ? 79 TYR A CD1 1 1 +ATOM 587 C CD2 . TYR A 1 80 ? 15.875 -22.981 -10.123 1 76.49 ? 79 TYR A CD2 1 1 +ATOM 588 C CE1 . TYR A 1 80 ? 14.134 -22.861 -12.249 1 85.788 ? 79 TYR A CE1 1 1 +ATOM 589 C CE2 . TYR A 1 80 ? 15.231 -24.131 -10.548 1 78.914 ? 79 TYR A CE2 1 1 +ATOM 590 C CZ . TYR A 1 80 ? 14.341 -24.068 -11.601 1 80.745 ? 79 TYR A CZ 1 1 +ATOM 591 O OH . TYR A 1 80 ? 13.698 -25.208 -12 1 85.135 ? 79 TYR A OH 1 1 +ATOM 592 N N . LEU A 1 81 ? 17.604 -17.701 -10.906 1 81.999 ? 80 LEU A N 1 1 +ATOM 593 C CA . LEU A 1 81 ? 17.944 -16.408 -10.331 1 80.335 ? 80 LEU A CA 1 1 +ATOM 594 C C . LEU A 1 81 ? 16.65 -15.664 -10.045 1 70.821 ? 80 LEU A C 1 1 +ATOM 595 O O . LEU A 1 81 ? 15.911 -15.375 -10.965 1 66.822 ? 80 LEU A O 1 1 +ATOM 596 C CB . LEU A 1 81 ? 18.862 -15.565 -11.219 1 83.767 ? 80 LEU A CB 1 1 +ATOM 597 C CG . LEU A 1 81 ? 19.384 -14.264 -10.582 1 88.936 ? 80 LEU A CG 1 1 +ATOM 598 C CD1 . LEU A 1 81 ? 20.245 -14.509 -9.382 1 86.747 ? 80 LEU A CD1 1 1 +ATOM 599 C CD2 . LEU A 1 81 ? 20.212 -13.406 -11.502 1 91.811 ? 80 LEU A CD2 1 1 +ATOM 600 N N . GLN A 1 82 ? 16.4 -15.362 -8.767 1 79.7 ? 81 GLN A N 1 1 +ATOM 601 C CA . GLN A 1 82 ? 15.2 -14.656 -8.369 1 86.528 ? 81 GLN A CA 1 1 +ATOM 602 C C . GLN A 1 82 ? 15.555 -13.198 -8.162 1 87.132 ? 81 GLN A C 1 1 +ATOM 603 O O . GLN A 1 82 ? 16.056 -12.839 -7.109 1 109.564 ? 81 GLN A O 1 1 +ATOM 604 C CB . GLN A 1 82 ? 14.583 -15.206 -7.081 1 91.161 ? 81 GLN A CB 1 1 +ATOM 605 C CG . GLN A 1 82 ? 13.199 -14.653 -6.768 1 89.838 ? 81 GLN A CG 1 1 +ATOM 606 C CD . GLN A 1 82 ? 12.185 -15.015 -7.825 1 90.998 ? 81 GLN A CD 1 1 +ATOM 607 O OE1 . GLN A 1 82 ? 11.65 -14.153 -8.517 1 104.987 ? 81 GLN A OE1 1 1 +ATOM 608 N NE2 . GLN A 1 82 ? 11.924 -16.302 -7.978 1 93.772 ? 81 GLN A NE2 1 1 +ATOM 609 N N . MET A 1 83 ? 15.238 -12.368 -9.152 1 87.929 ? 82 MET A N 1 1 +ATOM 610 C CA . MET A 1 83 ? 15.484 -10.937 -9.079 1 90.208 ? 82 MET A CA 1 1 +ATOM 611 C C . MET A 1 83 ? 14.248 -10.236 -8.512 1 93.074 ? 82 MET A C 1 1 +ATOM 612 O O . MET A 1 83 ? 13.167 -10.312 -9.096 1 82.761 ? 82 MET A O 1 1 +ATOM 613 C CB . MET A 1 83 ? 15.805 -10.398 -10.477 1 88.709 ? 82 MET A CB 1 1 +ATOM 614 C CG . MET A 1 83 ? 16.943 -11.152 -11.162 1 89.443 ? 82 MET A CG 1 1 +ATOM 615 S SD . MET A 1 83 ? 17.431 -10.429 -12.744 0.84 83.209 ? 82 MET A SD 1 1 +ATOM 616 C CE . MET A 1 83 ? 15.886 -10.745 -13.599 1 90.477 ? 82 MET A CE 1 1 +ATOM 617 N N . ASN A 1 84 A 14.419 -9.56 -7.366 1 98.972 ? 82 ASN A N 1 1 +ATOM 618 C CA . ASN A 1 84 A 13.353 -8.791 -6.734 1 96.596 ? 82 ASN A CA 1 1 +ATOM 619 C C . ASN A 1 84 A 13.782 -7.33 -6.593 1 93.102 ? 82 ASN A C 1 1 +ATOM 620 O O . ASN A 1 84 A 14.965 -7.02 -6.647 1 88.277 ? 82 ASN A O 1 1 +ATOM 621 C CB . ASN A 1 84 A 12.977 -9.342 -5.363 1 91.533 ? 82 ASN A CB 1 1 +ATOM 622 C CG . ASN A 1 84 A 12.672 -10.816 -5.412 1 95.245 ? 82 ASN A CG 1 1 +ATOM 623 O OD1 . ASN A 1 84 A 13.213 -11.586 -4.618 1 103.422 ? 82 ASN A OD1 1 1 +ATOM 624 N ND2 . ASN A 1 84 A 11.825 -11.234 -6.338 1 103.33 ? 82 ASN A ND2 1 1 +ATOM 625 N N . SER A 1 85 B 12.797 -6.441 -6.4 1 98.098 ? 82 SER A N 1 1 +ATOM 626 C CA . SER A 1 85 B 13.021 -5.015 -6.205 1 100.5 ? 82 SER A CA 1 1 +ATOM 627 C C . SER A 1 85 B 13.891 -4.437 -7.315 1 100.285 ? 82 SER A C 1 1 +ATOM 628 O O . SER A 1 85 B 14.745 -3.591 -7.037 1 100.668 ? 82 SER A O 1 1 +ATOM 629 C CB . SER A 1 85 B 13.662 -4.719 -4.863 1 98.97 ? 82 SER A CB 1 1 +ATOM 630 O OG . SER A 1 85 B 12.824 -5.063 -3.773 1 124.003 ? 82 SER A OG 1 1 +ATOM 631 N N . LEU A 1 86 C 13.653 -4.885 -8.558 1 93.092 ? 82 LEU A N 1 1 +ATOM 632 C CA . LEU A 1 86 C 14.473 -4.52 -9.698 1 89.977 ? 82 LEU A CA 1 1 +ATOM 633 C C . LEU A 1 86 C 14.512 -3.011 -9.871 1 91.628 ? 82 LEU A C 1 1 +ATOM 634 O O . LEU A 1 86 C 13.518 -2.327 -9.641 1 78.571 ? 82 LEU A O 1 1 +ATOM 635 C CB . LEU A 1 86 C 13.912 -5.163 -10.958 1 86.358 ? 82 LEU A CB 1 1 +ATOM 636 C CG . LEU A 1 86 C 14.286 -6.626 -11.167 1 84.421 ? 82 LEU A CG 1 1 +ATOM 637 C CD1 . LEU A 1 86 C 13.476 -7.277 -12.273 1 84.909 ? 82 LEU A CD1 1 1 +ATOM 638 C CD2 . LEU A 1 86 C 15.759 -6.733 -11.474 1 91.042 ? 82 LEU A CD2 1 1 +ATOM 639 N N . ARG A 1 87 ? 15.666 -2.545 -10.357 1 94.731 ? 83 ARG A N 1 1 +ATOM 640 C CA . ARG A 1 87 ? 15.872 -1.153 -10.686 1 96.195 ? 83 ARG A CA 1 1 +ATOM 641 C C . ARG A 1 87 ? 16.238 -1.077 -12.164 1 95.611 ? 83 ARG A C 1 1 +ATOM 642 O O . ARG A 1 87 ? 16.531 -2.101 -12.799 1 88.704 ? 83 ARG A O 1 1 +ATOM 643 C CB . ARG A 1 87 ? 17.002 -0.614 -9.804 1 100.139 ? 83 ARG A CB 1 1 +ATOM 644 C CG . ARG A 1 87 ? 16.841 -0.809 -8.304 1 100.598 ? 83 ARG A CG 1 1 +ATOM 645 C CD . ARG A 1 87 ? 18.15 -0.541 -7.621 1 102.557 ? 83 ARG A CD 1 1 +ATOM 646 N NE . ARG A 1 87 ? 18.088 -0.817 -6.188 1 112.319 ? 83 ARG A NE 1 1 +ATOM 647 C CZ . ARG A 1 87 ? 19.15 -1.095 -5.436 1 118.135 ? 83 ARG A CZ 1 1 +ATOM 648 N NH1 . ARG A 1 87 ? 20.353 -1.209 -5.978 1 122.111 ? 83 ARG A NH1 1 1 +ATOM 649 N NH2 . ARG A 1 87 ? 19.006 -1.291 -4.136 1 115.128 ? 83 ARG A NH2 1 1 +ATOM 650 N N . ALA A 1 88 ? 16.258 0.152 -12.697 1 93.77 ? 84 ALA A N 1 1 +ATOM 651 C CA . ALA A 1 88 ? 16.566 0.338 -14.105 1 87.309 ? 84 ALA A CA 1 1 +ATOM 652 C C . ALA A 1 88 ? 17.978 -0.156 -14.372 1 87.486 ? 84 ALA A C 1 1 +ATOM 653 O O . ALA A 1 88 ? 18.192 -0.742 -15.426 1 85.125 ? 84 ALA A O 1 1 +ATOM 654 C CB . ALA A 1 88 ? 16.399 1.771 -14.529 1 87.311 ? 84 ALA A CB 1 1 +ATOM 655 N N . GLU A 1 89 ? 18.89 0.052 -13.396 1 96.114 ? 85 GLU A N 1 1 +ATOM 656 C CA . GLU A 1 89 ? 20.308 -0.289 -13.514 1 99.031 ? 85 GLU A CA 1 1 +ATOM 657 C C . GLU A 1 89 ? 20.516 -1.787 -13.769 1 91.932 ? 85 GLU A C 1 1 +ATOM 658 O O . GLU A 1 89 ? 21.503 -2.195 -14.372 1 87.405 ? 85 GLU A O 1 1 +ATOM 659 C CB . GLU A 1 89 ? 21.057 0.164 -12.256 1 104.583 ? 85 GLU A CB 1 1 +ATOM 660 C CG . GLU A 1 89 ? 20.961 1.668 -11.983 1 119.665 ? 85 GLU A CG 1 1 +ATOM 661 C CD . GLU A 1 89 ? 19.959 2.105 -10.921 1 133.489 ? 85 GLU A CD 1 1 +ATOM 662 O OE1 . GLU A 1 89 ? 19.468 3.258 -10.873 1 121.633 ? 85 GLU A OE1 1 1 +ATOM 663 O OE2 . GLU A 1 89 ? 19.697 1.25 -10.067 1 158.147 ? 85 GLU A OE2 1 1 +ATOM 664 N N . ASP A 1 90 ? 19.568 -2.617 -13.335 1 84.087 ? 86 ASP A N 1 1 +ATOM 665 C CA . ASP A 1 90 ? 19.687 -4.047 -13.494 1 77.17 ? 86 ASP A CA 1 1 +ATOM 666 C C . ASP A 1 90 ? 19.418 -4.484 -14.926 1 82.293 ? 86 ASP A C 1 1 +ATOM 667 O O . ASP A 1 90 ? 19.275 -5.67 -15.17 1 102.525 ? 86 ASP A O 1 1 +ATOM 668 C CB . ASP A 1 90 ? 18.697 -4.752 -12.588 1 82.806 ? 86 ASP A CB 1 1 +ATOM 669 C CG . ASP A 1 90 ? 18.963 -4.525 -11.116 1 90.872 ? 86 ASP A CG 1 1 +ATOM 670 O OD1 . ASP A 1 90 ? 20.169 -4.643 -10.78 1 89.887 ? 86 ASP A OD1 1 1 +ATOM 671 O OD2 . ASP A 1 90 ? 17.979 -4.233 -10.345 1 89.933 ? 86 ASP A OD2 1 1 +ATOM 672 N N . THR A 1 91 ? 19.248 -3.55 -15.857 1 89.835 ? 87 THR A N 1 1 +ATOM 673 C CA . THR A 1 91 ? 18.951 -3.928 -17.228 1 89.494 ? 87 THR A CA 1 1 +ATOM 674 C C . THR A 1 91 ? 20.272 -4.386 -17.827 1 79.379 ? 87 THR A C 1 1 +ATOM 675 O O . THR A 1 91 ? 21.26 -3.654 -17.813 1 84.633 ? 87 THR A O 1 1 +ATOM 676 C CB . THR A 1 91 ? 18.312 -2.763 -18 1 86.988 ? 87 THR A CB 1 1 +ATOM 677 O OG1 . THR A 1 91 ? 17.056 -2.493 -17.379 1 84.008 ? 87 THR A OG1 1 1 +ATOM 678 C CG2 . THR A 1 91 ? 18.103 -3.035 -19.483 1 71.279 ? 87 THR A CG2 1 1 +ATOM 679 N N . ALA A 1 92 ? 20.257 -5.607 -18.351 1 70.04 ? 88 ALA A N 1 1 +ATOM 680 C CA . ALA A 1 92 ? 21.458 -6.217 -18.878 1 75.077 ? 88 ALA A CA 1 1 +ATOM 681 C C . ALA A 1 92 ? 21.081 -7.514 -19.581 1 76.598 ? 88 ALA A C 1 1 +ATOM 682 O O . ALA A 1 92 ? 19.981 -8.028 -19.39 1 74.235 ? 88 ALA A O 1 1 +ATOM 683 C CB . ALA A 1 92 ? 22.424 -6.446 -17.717 1 86.57 ? 88 ALA A CB 1 1 +ATOM 684 N N . VAL A 1 93 ? 22.016 -8.064 -20.362 1 81.337 ? 89 VAL A N 1 1 +ATOM 685 C CA . VAL A 1 93 ? 21.87 -9.443 -20.807 1 81.04 ? 89 VAL A CA 1 1 +ATOM 686 C C . VAL A 1 93 ? 22.394 -10.327 -19.682 1 80.884 ? 89 VAL A C 1 1 +ATOM 687 O O . VAL A 1 93 ? 23.509 -10.11 -19.212 1 88.593 ? 89 VAL A O 1 1 +ATOM 688 C CB . VAL A 1 93 ? 22.605 -9.737 -22.123 1 74.677 ? 89 VAL A CB 1 1 +ATOM 689 C CG1 . VAL A 1 93 ? 22.687 -11.244 -22.404 1 72.176 ? 89 VAL A CG1 1 1 +ATOM 690 C CG2 . VAL A 1 93 ? 21.977 -8.966 -23.277 1 77.768 ? 89 VAL A CG2 1 1 +ATOM 691 N N . TYR A 1 94 ? 21.577 -11.291 -19.233 1 71.39 ? 90 TYR A N 1 1 +ATOM 692 C CA . TYR A 1 94 ? 21.975 -12.171 -18.143 1 73.659 ? 90 TYR A CA 1 1 +ATOM 693 C C . TYR A 1 94 ? 22.475 -13.512 -18.698 1 69.365 ? 90 TYR A C 1 1 +ATOM 694 O O . TYR A 1 94 ? 21.686 -14.328 -19.171 1 70.454 ? 90 TYR A O 1 1 +ATOM 695 C CB . TYR A 1 94 ? 20.833 -12.285 -17.12 1 72.466 ? 90 TYR A CB 1 1 +ATOM 696 C CG . TYR A 1 94 ? 20.705 -11.076 -16.202 1 67.608 ? 90 TYR A CG 1 1 +ATOM 697 C CD1 . TYR A 1 94 ? 20.053 -9.922 -16.614 1 66.43 ? 90 TYR A CD1 1 1 +ATOM 698 C CD2 . TYR A 1 94 ? 21.264 -11.076 -14.935 1 68.339 ? 90 TYR A CD2 1 1 +ATOM 699 C CE1 . TYR A 1 94 ? 19.944 -8.82 -15.786 1 64.576 ? 90 TYR A CE1 1 1 +ATOM 700 C CE2 . TYR A 1 94 ? 21.167 -9.978 -14.094 1 70.105 ? 90 TYR A CE2 1 1 +ATOM 701 C CZ . TYR A 1 94 ? 20.509 -8.845 -14.525 1 65.848 ? 90 TYR A CZ 1 1 +ATOM 702 O OH . TYR A 1 94 ? 20.414 -7.789 -13.675 1 69.13 ? 90 TYR A OH 1 1 +ATOM 703 N N . TYR A 1 95 ? 23.782 -13.766 -18.499 1 65.464 ? 91 TYR A N 1 1 +ATOM 704 C CA . TYR A 1 95 ? 24.443 -15.028 -18.824 1 68.69 ? 91 TYR A CA 1 1 +ATOM 705 C C . TYR A 1 95 ? 24.498 -15.973 -17.627 1 62.718 ? 91 TYR A C 1 1 +ATOM 706 O O . TYR A 1 95 ? 24.715 -15.505 -16.524 1 70.499 ? 91 TYR A O 1 1 +ATOM 707 C CB . TYR A 1 95 ? 25.901 -14.767 -19.236 1 70.792 ? 91 TYR A CB 1 1 +ATOM 708 C CG . TYR A 1 95 ? 26.063 -13.937 -20.505 1 72.295 ? 91 TYR A CG 1 1 +ATOM 709 C CD1 . TYR A 1 95 ? 25.915 -14.522 -21.765 1 70.056 ? 91 TYR A CD1 1 1 +ATOM 710 C CD2 . TYR A 1 95 ? 26.343 -12.572 -20.442 1 72.877 ? 91 TYR A CD2 1 1 +ATOM 711 C CE1 . TYR A 1 95 ? 26.027 -13.773 -22.921 1 69.575 ? 91 TYR A CE1 1 1 +ATOM 712 C CE2 . TYR A 1 95 ? 26.469 -11.817 -21.595 1 74.363 ? 91 TYR A CE2 1 1 +ATOM 713 C CZ . TYR A 1 95 ? 26.305 -12.424 -22.832 1 74.787 ? 91 TYR A CZ 1 1 +ATOM 714 O OH . TYR A 1 95 ? 26.432 -11.729 -23.988 1 79.288 ? 91 TYR A OH 1 1 +ATOM 715 N N . CYS A 1 96 ? 24.372 -17.289 -17.859 1 63.867 ? 92 CYS A N 1 1 +ATOM 716 C CA . CYS A 1 96 ? 24.714 -18.312 -16.877 1 74.309 ? 92 CYS A CA 1 1 +ATOM 717 C C . CYS A 1 96 ? 25.997 -18.989 -17.345 1 76.63 ? 92 CYS A C 1 1 +ATOM 718 O O . CYS A 1 96 ? 26.209 -19.147 -18.542 1 80.615 ? 92 CYS A O 1 1 +ATOM 719 C CB . CYS A 1 96 ? 23.586 -19.312 -16.612 1 72.623 ? 92 CYS A CB 1 1 +ATOM 720 S SG . CYS A 1 96 ? 23.184 -20.387 -18.011 0.9 87.024 ? 92 CYS A SG 1 1 +ATOM 721 N N . ALA A 1 97 ? 26.877 -19.341 -16.406 1 82.86 ? 93 ALA A N 1 1 +ATOM 722 C CA . ALA A 1 97 ? 28.198 -19.833 -16.764 1 82.986 ? 93 ALA A CA 1 1 +ATOM 723 C C . ALA A 1 97 ? 28.553 -21.031 -15.901 1 74.681 ? 93 ALA A C 1 1 +ATOM 724 O O . ALA A 1 97 ? 28.21 -21.074 -14.736 1 83.509 ? 93 ALA A O 1 1 +ATOM 725 C CB . ALA A 1 97 ? 29.259 -18.743 -16.634 1 88.837 ? 93 ALA A CB 1 1 +ATOM 726 N N . LYS A 1 98 ? 29.266 -21.984 -16.491 1 76.257 ? 94 LYS A N 1 1 +ATOM 727 C CA . LYS A 1 98 ? 29.828 -23.114 -15.779 1 82.437 ? 94 LYS A CA 1 1 +ATOM 728 C C . LYS A 1 98 ? 31.268 -22.76 -15.42 1 85.206 ? 94 LYS A C 1 1 +ATOM 729 O O . LYS A 1 98 ? 32.034 -22.344 -16.272 1 82.528 ? 94 LYS A O 1 1 +ATOM 730 C CB . LYS A 1 98 ? 29.743 -24.364 -16.67 1 87.223 ? 94 LYS A CB 1 1 +ATOM 731 C CG . LYS A 1 98 ? 30.411 -25.656 -16.177 1 86.176 ? 94 LYS A CG 1 1 +ATOM 732 C CD . LYS A 1 98 ? 30.734 -26.605 -17.331 1 86.537 ? 94 LYS A CD 1 1 +ATOM 733 C CE . LYS A 1 98 ? 31.749 -27.68 -17.039 1 98.341 ? 94 LYS A CE 1 1 +ATOM 734 N NZ . LYS A 1 98 ? 33.158 -27.354 -17.351 1 97.035 ? 94 LYS A NZ 1 1 +ATOM 735 N N . SER A 1 99 ? 31.629 -22.996 -14.159 1 85.472 ? 95 SER A N 1 1 +ATOM 736 C CA . SER A 1 99 ? 32.958 -22.72 -13.654 1 93.332 ? 95 SER A CA 1 1 +ATOM 737 C C . SER A 1 99 ? 33.78 -23.998 -13.427 1 102.964 ? 95 SER A C 1 1 +ATOM 738 O O . SER A 1 99 ? 33.246 -25.017 -12.984 1 119.079 ? 95 SER A O 1 1 +ATOM 739 C CB . SER A 1 99 ? 32.836 -21.912 -12.401 1 102.438 ? 95 SER A CB 1 1 +ATOM 740 O OG . SER A 1 99 ? 34.124 -21.6 -11.896 1 140.471 ? 95 SER A OG 1 1 +ATOM 741 N N . TYR A 1 100 ? 35.083 -23.893 -13.757 1 105.45 ? 96 TYR A N 1 1 +ATOM 742 C CA . TYR A 1 100 ? 36.128 -24.86 -13.446 1 109.134 ? 96 TYR A CA 1 1 +ATOM 743 C C . TYR A 1 100 ? 37.479 -24.211 -13.783 1 118.028 ? 96 TYR A C 1 1 +ATOM 744 O O . TYR A 1 100 ? 37.923 -24.254 -14.938 1 129.626 ? 96 TYR A O 1 1 +ATOM 745 C CB . TYR A 1 100 ? 36.035 -26.231 -14.153 1 128.205 ? 96 TYR A CB 1 1 +ATOM 746 C CG . TYR A 1 100 ? 36.896 -27.248 -13.405 1 123.446 ? 96 TYR A CG 1 1 +ATOM 747 C CD1 . TYR A 1 100 ? 36.431 -27.798 -12.213 1 120.92 ? 96 TYR A CD1 1 1 +ATOM 748 C CD2 . TYR A 1 100 ? 38.192 -27.578 -13.808 1 105.123 ? 96 TYR A CD2 1 1 +ATOM 749 C CE1 . TYR A 1 100 ? 37.214 -28.653 -11.456 1 116.449 ? 96 TYR A CE1 1 1 +ATOM 750 C CE2 . TYR A 1 100 ? 38.984 -28.43 -13.057 1 97.773 ? 96 TYR A CE2 1 1 +ATOM 751 C CZ . TYR A 1 100 ? 38.491 -28.97 -11.88 1 104.277 ? 96 TYR A CZ 1 1 +ATOM 752 O OH . TYR A 1 100 ? 39.197 -29.834 -11.091 1 107.592 ? 96 TYR A OH 1 1 +ATOM 753 N N . GLY A 1 101 ? 38.124 -23.561 -12.793 1 112.729 ? 97 GLY A N 1 1 +ATOM 754 C CA . GLY A 1 101 ? 39.382 -22.849 -13.027 1 110.508 ? 97 GLY A CA 1 1 +ATOM 755 C C . GLY A 1 101 ? 39.175 -21.452 -13.629 1 97.165 ? 97 GLY A C 1 1 +ATOM 756 O O . GLY A 1 101 ? 40.014 -20.564 -13.442 1 99.539 ? 97 GLY A O 1 1 +ATOM 757 N N . ALA A 1 102 ? 38.079 -21.302 -14.398 1 93.865 ? 98 ALA A N 1 1 +ATOM 758 C CA . ALA A 1 102 ? 37.479 -20.026 -14.8 1 85.51 ? 98 ALA A CA 1 1 +ATOM 759 C C . ALA A 1 102 ? 36.054 -20.298 -15.323 1 75.367 ? 98 ALA A C 1 1 +ATOM 760 O O . ALA A 1 102 ? 35.589 -21.419 -15.2 1 66.918 ? 98 ALA A O 1 1 +ATOM 761 C CB . ALA A 1 102 ? 38.368 -19.344 -15.822 1 83.918 ? 98 ALA A CB 1 1 +ATOM 762 N N . PHE A 1 103 ? 35.355 -19.334 -15.957 1 73.239 ? 99 PHE A N 1 1 +ATOM 763 C CA . PHE A 1 103 ? 34.072 -19.65 -16.59 1 68.225 ? 99 PHE A CA 1 1 +ATOM 764 C C . PHE A 1 103 ? 34.322 -20.287 -17.949 1 71.786 ? 99 PHE A C 1 1 +ATOM 765 O O . PHE A 1 103 ? 34.446 -19.564 -18.928 1 75.501 ? 99 PHE A O 1 1 +ATOM 766 C CB . PHE A 1 103 ? 33.149 -18.431 -16.71 1 68.584 ? 99 PHE A CB 1 1 +ATOM 767 C CG . PHE A 1 103 ? 32.787 -17.827 -15.354 1 69.256 ? 99 PHE A CG 1 1 +ATOM 768 C CD1 . PHE A 1 103 ? 32.408 -18.622 -14.285 1 69.327 ? 99 PHE A CD1 1 1 +ATOM 769 C CD2 . PHE A 1 103 ? 32.905 -16.461 -15.133 1 77.421 ? 99 PHE A CD2 1 1 +ATOM 770 C CE1 . PHE A 1 103 ? 32.141 -18.062 -13.051 1 71.571 ? 99 PHE A CE1 1 1 +ATOM 771 C CE2 . PHE A 1 103 ? 32.636 -15.913 -13.895 1 75.752 ? 99 PHE A CE2 1 1 +ATOM 772 C CZ . PHE A 1 103 ? 32.261 -16.713 -12.862 1 77.17 ? 99 PHE A CZ 1 1 +ATOM 773 N N . ASP A 1 104 ? 34.396 -21.637 -17.997 1 81.537 ? 100 ASP A N 1 1 +ATOM 774 C CA . ASP A 1 104 ? 34.822 -22.348 -19.2 1 76.764 ? 100 ASP A CA 1 1 +ATOM 775 C C . ASP A 1 104 ? 33.643 -22.479 -20.162 1 67.161 ? 100 ASP A C 1 1 +ATOM 776 O O . ASP A 1 104 ? 33.86 -22.732 -21.332 1 78.272 ? 100 ASP A O 1 1 +ATOM 777 C CB . ASP A 1 104 ? 35.618 -23.634 -18.948 1 80.148 ? 100 ASP A CB 1 1 +ATOM 778 C CG . ASP A 1 104 ? 34.914 -24.746 -18.18 1 92.918 ? 100 ASP A CG 1 1 +ATOM 779 O OD1 . ASP A 1 104 ? 33.834 -24.423 -17.601 1 100.88 ? 100 ASP A OD1 1 1 +ATOM 780 O OD2 . ASP A 1 104 ? 35.442 -25.92 -18.174 1 92.202 ? 100 ASP A OD2 1 1 +ATOM 781 N N . TYR A 1 105 ? 32.401 -22.279 -19.72 1 65.455 ? 101 TYR A N 1 1 +ATOM 782 C CA . TYR A 1 105 ? 31.286 -22.344 -20.66 1 70.68 ? 101 TYR A CA 1 1 +ATOM 783 C C . TYR A 1 105 ? 30.225 -21.306 -20.305 1 66.328 ? 101 TYR A C 1 1 +ATOM 784 O O . TYR A 1 105 ? 29.912 -21.145 -19.144 1 71.472 ? 101 TYR A O 1 1 +ATOM 785 C CB . TYR A 1 105 ? 30.649 -23.741 -20.707 1 80.187 ? 101 TYR A CB 1 1 +ATOM 786 C CG . TYR A 1 105 ? 29.947 -24.022 -22.027 1 89.1 ? 101 TYR A CG 1 1 +ATOM 787 C CD1 . TYR A 1 105 ? 30.637 -24.598 -23.091 1 89.829 ? 101 TYR A CD1 1 1 +ATOM 788 C CD2 . TYR A 1 105 ? 28.609 -23.671 -22.225 1 99.749 ? 101 TYR A CD2 1 1 +ATOM 789 C CE1 . TYR A 1 105 ? 30.011 -24.805 -24.316 1 97.623 ? 101 TYR A CE1 1 1 +ATOM 790 C CE2 . TYR A 1 105 ? 27.976 -23.863 -23.444 1 101.824 ? 101 TYR A CE2 1 1 +ATOM 791 C CZ . TYR A 1 105 ? 28.679 -24.439 -24.487 1 102.556 ? 101 TYR A CZ 1 1 +ATOM 792 O OH . TYR A 1 105 ? 28.004 -24.61 -25.658 1 93.867 ? 101 TYR A OH 1 1 +ATOM 793 N N . TRP A 1 106 ? 29.677 -20.631 -21.32 1 70.12 ? 102 TRP A N 1 1 +ATOM 794 C CA . TRP A 1 106 ? 28.694 -19.577 -21.16 1 63.294 ? 102 TRP A CA 1 1 +ATOM 795 C C . TRP A 1 106 ? 27.473 -19.824 -22.032 1 63.036 ? 102 TRP A C 1 1 +ATOM 796 O O . TRP A 1 106 ? 27.603 -20.273 -23.167 1 72.922 ? 102 TRP A O 1 1 +ATOM 797 C CB . TRP A 1 106 ? 29.289 -18.251 -21.608 1 61.24 ? 102 TRP A CB 1 1 +ATOM 798 C CG . TRP A 1 106 ? 30.493 -17.766 -20.856 1 71.185 ? 102 TRP A CG 1 1 +ATOM 799 C CD1 . TRP A 1 106 ? 31.763 -18.253 -20.915 1 78.446 ? 102 TRP A CD1 1 1 +ATOM 800 C CD2 . TRP A 1 106 ? 30.546 -16.57 -20.045 1 76.369 ? 102 TRP A CD2 1 1 +ATOM 801 N NE1 . TRP A 1 106 ? 32.601 -17.453 -20.171 1 80.628 ? 102 TRP A NE1 1 1 +ATOM 802 C CE2 . TRP A 1 106 ? 31.888 -16.41 -19.636 1 73.56 ? 102 TRP A CE2 1 1 +ATOM 803 C CE3 . TRP A 1 106 ? 29.59 -15.627 -19.637 1 76.007 ? 102 TRP A CE3 1 1 +ATOM 804 C CZ2 . TRP A 1 106 ? 32.287 -15.356 -18.816 1 73.078 ? 102 TRP A CZ2 1 1 +ATOM 805 C CZ3 . TRP A 1 106 ? 29.985 -14.567 -18.852 1 74.811 ? 102 TRP A CZ3 1 1 +ATOM 806 C CH2 . TRP A 1 106 ? 31.316 -14.442 -18.439 1 81.673 ? 102 TRP A CH2 1 1 +ATOM 807 N N . GLY A 1 107 ? 26.297 -19.45 -21.527 1 61.908 ? 103 GLY A N 1 1 +ATOM 808 C CA . GLY A 1 107 ? 25.058 -19.607 -22.268 1 60.121 ? 103 GLY A CA 1 1 +ATOM 809 C C . GLY A 1 107 ? 24.926 -18.459 -23.251 1 69.474 ? 103 GLY A C 1 1 +ATOM 810 O O . GLY A 1 107 ? 25.783 -17.58 -23.265 1 68.775 ? 103 GLY A O 1 1 +ATOM 811 N N . GLN A 1 108 ? 23.84 -18.444 -24.034 1 83.972 ? 104 GLN A N 1 1 +ATOM 812 C CA . GLN A 1 108 ? 23.622 -17.404 -25.038 1 81.796 ? 104 GLN A CA 1 1 +ATOM 813 C C . GLN A 1 108 ? 23.232 -16.069 -24.381 1 68.459 ? 104 GLN A C 1 1 +ATOM 814 O O . GLN A 1 108 ? 23.58 -14.997 -24.895 1 73.904 ? 104 GLN A O 1 1 +ATOM 815 C CB . GLN A 1 108 ? 22.646 -17.89 -26.116 1 90.866 ? 104 GLN A CB 1 1 +ATOM 816 C CG . GLN A 1 108 ? 23.205 -18.953 -27.071 1 102.579 ? 104 GLN A CG 1 1 +ATOM 817 C CD . GLN A 1 108 ? 24.469 -18.566 -27.839 1 119.115 ? 104 GLN A CD 1 1 +ATOM 818 O OE1 . GLN A 1 108 ? 24.618 -17.465 -28.39 1 113.891 ? 104 GLN A OE1 1 1 +ATOM 819 N NE2 . GLN A 1 108 ? 25.424 -19.486 -27.893 1 128.262 ? 104 GLN A NE2 1 1 +ATOM 820 N N . GLY A 1 109 ? 22.51 -16.121 -23.254 1 60.308 ? 105 GLY A N 1 1 +ATOM 821 C CA . GLY A 1 109 ? 22.071 -14.907 -22.567 1 70.639 ? 105 GLY A CA 1 1 +ATOM 822 C C . GLY A 1 109 ? 20.581 -14.586 -22.764 1 68.994 ? 105 GLY A C 1 1 +ATOM 823 O O . GLY A 1 109 ? 20.051 -14.802 -23.837 1 67.466 ? 105 GLY A O 1 1 +ATOM 824 N N . THR A 1 110 ? 19.935 -14.004 -21.742 1 68.378 ? 106 THR A N 1 1 +ATOM 825 C CA . THR A 1 110 ? 18.537 -13.608 -21.785 1 72.389 ? 106 THR A CA 1 1 +ATOM 826 C C . THR A 1 110 ? 18.429 -12.129 -21.39 1 79.488 ? 106 THR A C 1 1 +ATOM 827 O O . THR A 1 110 ? 19.067 -11.686 -20.442 1 78.268 ? 106 THR A O 1 1 +ATOM 828 C CB . THR A 1 110 ? 17.722 -14.533 -20.878 1 74.958 ? 106 THR A CB 1 1 +ATOM 829 O OG1 . THR A 1 110 ? 16.339 -14.172 -20.899 1 70.878 ? 106 THR A OG1 1 1 +ATOM 830 C CG2 . THR A 1 110 ? 18.144 -14.453 -19.424 1 78.648 ? 106 THR A CG2 1 1 +ATOM 831 N N . LEU A 1 111 ? 17.666 -11.341 -22.158 1 82.987 ? 107 LEU A N 1 1 +ATOM 832 C CA . LEU A 1 111 ? 17.715 -9.893 -22.023 1 85.349 ? 107 LEU A CA 1 1 +ATOM 833 C C . LEU A 1 111 ? 16.62 -9.467 -21.061 1 87.292 ? 107 LEU A C 1 1 +ATOM 834 O O . LEU A 1 111 ? 15.445 -9.682 -21.329 1 78.482 ? 107 LEU A O 1 1 +ATOM 835 C CB . LEU A 1 111 ? 17.58 -9.142 -23.35 1 83.281 ? 107 LEU A CB 1 1 +ATOM 836 C CG . LEU A 1 111 ? 17.487 -7.619 -23.265 1 84.16 ? 107 LEU A CG 1 1 +ATOM 837 C CD1 . LEU A 1 111 ? 18.717 -7.01 -22.623 1 90.879 ? 107 LEU A CD1 1 1 +ATOM 838 C CD2 . LEU A 1 111 ? 17.286 -7.098 -24.677 1 94.202 ? 107 LEU A CD2 1 1 +ATOM 839 N N . VAL A 1 112 ? 17.045 -8.84 -19.963 1 90.559 ? 108 VAL A N 1 1 +ATOM 840 C CA . VAL A 1 112 ? 16.14 -8.297 -18.965 1 79.141 ? 108 VAL A CA 1 1 +ATOM 841 C C . VAL A 1 112 ? 16.13 -6.788 -19.132 1 84.938 ? 108 VAL A C 1 1 +ATOM 842 O O . VAL A 1 112 ? 17.175 -6.169 -18.975 1 75.615 ? 108 VAL A O 1 1 +ATOM 843 C CB . VAL A 1 112 ? 16.557 -8.7 -17.541 1 68.58 ? 108 VAL A CB 1 1 +ATOM 844 C CG1 . VAL A 1 112 ? 15.685 -8.041 -16.478 1 69.593 ? 108 VAL A CG1 1 1 +ATOM 845 C CG2 . VAL A 1 112 ? 16.505 -10.21 -17.387 1 73.737 ? 108 VAL A CG2 1 1 +ATOM 846 N N . THR A 1 113 ? 14.947 -6.246 -19.459 1 98.234 ? 109 THR A N 1 1 +ATOM 847 C CA . THR A 1 113 ? 14.738 -4.816 -19.635 1 91.367 ? 109 THR A CA 1 1 +ATOM 848 C C . THR A 1 113 ? 13.857 -4.321 -18.496 1 76.915 ? 109 THR A C 1 1 +ATOM 849 O O . THR A 1 113 ? 12.739 -4.782 -18.378 1 69.563 ? 109 THR A O 1 1 +ATOM 850 C CB . THR A 1 113 ? 14.074 -4.548 -20.99 1 87.821 ? 109 THR A CB 1 1 +ATOM 851 O OG1 . THR A 1 113 ? 14.676 -5.376 -21.99 1 94.106 ? 109 THR A OG1 1 1 +ATOM 852 C CG2 . THR A 1 113 ? 14.156 -3.079 -21.366 1 82.497 ? 109 THR A CG2 1 1 +ATOM 853 N N . VAL A 1 114 ? 14.355 -3.401 -17.664 1 74.65 ? 110 VAL A N 1 1 +ATOM 854 C CA . VAL A 1 114 ? 13.564 -2.852 -16.57 1 79.643 ? 110 VAL A CA 1 1 +ATOM 855 C C . VAL A 1 114 ? 13.184 -1.422 -16.936 1 81.806 ? 110 VAL A C 1 1 +ATOM 856 O O . VAL A 1 114 ? 14.049 -0.546 -16.954 1 84.332 ? 110 VAL A O 1 1 +ATOM 857 C CB . VAL A 1 114 ? 14.278 -2.889 -15.202 1 82.365 ? 110 VAL A CB 1 1 +ATOM 858 C CG1 . VAL A 1 114 ? 13.409 -2.397 -14.051 1 83.37 ? 110 VAL A CG1 1 1 +ATOM 859 C CG2 . VAL A 1 114 ? 14.783 -4.279 -14.89 1 87.836 ? 110 VAL A CG2 1 1 +ATOM 860 N N . SER A 1 115 ? 11.89 -1.206 -17.206 1 84.936 ? 111 SER A N 1 1 +ATOM 861 C CA . SER A 1 115 ? 11.402 0.084 -17.663 1 90.616 ? 111 SER A CA 1 1 +ATOM 862 C C . SER A 1 115 ? 9.897 0.214 -17.457 1 92.957 ? 111 SER A C 1 1 +ATOM 863 O O . SER A 1 115 ? 9.156 -0.77 -17.535 1 85.608 ? 111 SER A O 1 1 +ATOM 864 C CB . SER A 1 115 ? 11.755 0.32 -19.127 1 88.235 ? 111 SER A CB 1 1 +ATOM 865 O OG . SER A 1 115 ? 11.274 1.573 -19.608 1 87.747 ? 111 SER A OG 1 1 +ATOM 866 N N . SER A 1 116 ? 9.466 1.467 -17.247 1 99.914 ? 112 SER A N 1 1 +ATOM 867 C CA . SER A 1 116 ? 8.054 1.795 -17.114 1 103.807 ? 112 SER A CA 1 1 +ATOM 868 C C . SER A 1 116 ? 7.404 1.915 -18.49 1 100.031 ? 112 SER A C 1 1 +ATOM 869 O O . SER A 1 116 ? 6.18 1.956 -18.576 1 103.559 ? 112 SER A O 1 1 +ATOM 870 C CB . SER A 1 116 ? 7.842 3.063 -16.322 1 102.624 ? 112 SER A CB 1 1 +ATOM 871 O OG . SER A 1 116 ? 8.479 2.994 -15.055 1 103.321 ? 112 SER A OG 1 1 +ATOM 872 N N . ALA A 1 117 ? 8.216 1.986 -19.554 1 96.414 ? 113 ALA A N 1 1 +ATOM 873 C CA . ALA A 1 117 ? 7.717 2.111 -20.917 1 95.179 ? 113 ALA A CA 1 1 +ATOM 874 C C . ALA A 1 117 ? 6.96 0.849 -21.3 1 98.208 ? 113 ALA A C 1 1 +ATOM 875 O O . ALA A 1 117 ? 7.313 -0.234 -20.849 1 106.809 ? 113 ALA A O 1 1 +ATOM 876 C CB . ALA A 1 117 ? 8.861 2.347 -21.887 1 87.152 ? 113 ALA A CB 1 1 +ATOM 877 N N . SER A 1 118 ? 5.942 1.006 -22.154 1 104.79 ? 114 SER A N 1 1 +ATOM 878 C CA . SER A 1 118 ? 5.167 -0.115 -22.654 1 98.73 ? 114 SER A CA 1 1 +ATOM 879 C C . SER A 1 118 ? 5.755 -0.662 -23.954 1 94.517 ? 114 SER A C 1 1 +ATOM 880 O O . SER A 1 118 ? 6.591 -0.047 -24.589 1 88.902 ? 114 SER A O 1 1 +ATOM 881 C CB . SER A 1 118 ? 3.735 0.267 -22.78 1 91.843 ? 114 SER A CB 1 1 +ATOM 882 O OG . SER A 1 118 ? 3.234 0.329 -21.453 1 90.748 ? 114 SER A OG 1 1 +ATOM 883 N N . THR A 1 119 ? 5.32 -1.864 -24.319 1 93.666 ? 115 THR A N 1 1 +ATOM 884 C CA . THR A 1 119 ? 5.807 -2.544 -25.499 1 83.475 ? 115 THR A CA 1 1 +ATOM 885 C C . THR A 1 119 ? 5.174 -1.936 -26.734 1 82.252 ? 115 THR A C 1 1 +ATOM 886 O O . THR A 1 119 ? 3.953 -1.849 -26.816 1 84.317 ? 115 THR A O 1 1 +ATOM 887 C CB . THR A 1 119 ? 5.44 -4.014 -25.399 1 84.826 ? 115 THR A CB 1 1 +ATOM 888 O OG1 . THR A 1 119 ? 6.241 -4.469 -24.327 1 93.581 ? 115 THR A OG1 1 1 +ATOM 889 C CG2 . THR A 1 119 ? 5.898 -4.79 -26.605 1 86.173 ? 115 THR A CG2 1 1 +ATOM 890 N N . LYS A 1 120 ? 6.018 -1.582 -27.704 1 81.282 ? 116 LYS A N 1 1 +ATOM 891 C CA . LYS A 1 120 ? 5.539 -0.982 -28.934 1 84.958 ? 116 LYS A CA 1 1 +ATOM 892 C C . LYS A 1 120 ? 6.086 -1.763 -30.123 1 81.176 ? 116 LYS A C 1 1 +ATOM 893 O O . LYS A 1 120 ? 7.284 -2.001 -30.221 1 77.283 ? 116 LYS A O 1 1 +ATOM 894 C CB . LYS A 1 120 ? 5.928 0.498 -29.022 1 88.024 ? 116 LYS A CB 1 1 +ATOM 895 C CG . LYS A 1 120 ? 5.289 1.177 -30.218 1 95.299 ? 116 LYS A CG 1 1 +ATOM 896 C CD . LYS A 1 120 ? 5.631 2.647 -30.411 1 95.424 ? 116 LYS A CD 1 1 +ATOM 897 C CE . LYS A 1 120 ? 5.003 3.115 -31.685 1 101 ? 116 LYS A CE 1 1 +ATOM 898 N NZ . LYS A 1 120 ? 5.346 2.296 -32.853 1 99.707 ? 116 LYS A NZ 1 1 +ATOM 899 N N . GLY A 1 121 ? 5.183 -2.13 -31.034 1 91.306 ? 117 GLY A N 1 1 +ATOM 900 C CA . GLY A 1 121 ? 5.574 -2.787 -32.268 1 96.776 ? 117 GLY A CA 1 1 +ATOM 901 C C . GLY A 1 121 ? 6.191 -1.779 -33.236 1 100.181 ? 117 GLY A C 1 1 +ATOM 902 O O . GLY A 1 121 ? 5.731 -0.637 -33.291 1 102.719 ? 117 GLY A O 1 1 +ATOM 903 N N . PRO A 1 122 ? 7.231 -2.176 -34.018 1 100.885 ? 118 PRO A N 1 1 +ATOM 904 C CA . PRO A 1 122 ? 7.912 -1.264 -34.947 1 92.938 ? 118 PRO A CA 1 1 +ATOM 905 C C . PRO A 1 122 ? 7.14 -1.005 -36.235 1 86.626 ? 118 PRO A C 1 1 +ATOM 906 O O . PRO A 1 122 ? 6.353 -1.837 -36.679 1 79.947 ? 118 PRO A O 1 1 +ATOM 907 C CB . PRO A 1 122 ? 9.254 -1.941 -35.257 1 86.134 ? 118 PRO A CB 1 1 +ATOM 908 C CG . PRO A 1 122 ? 8.932 -3.412 -35.106 1 93.484 ? 118 PRO A CG 1 1 +ATOM 909 C CD . PRO A 1 122 ? 7.831 -3.526 -34.033 1 98.963 ? 118 PRO A CD 1 1 +ATOM 910 N N . SER A 1 123 ? 7.409 0.169 -36.812 1 90.549 ? 119 SER A N 1 1 +ATOM 911 C CA . SER A 1 123 ? 6.993 0.494 -38.16 1 88.732 ? 119 SER A CA 1 1 +ATOM 912 C C . SER A 1 123 ? 8.176 0.224 -39.07 1 89.078 ? 119 SER A C 1 1 +ATOM 913 O O . SER A 1 123 ? 9.31 0.562 -38.733 1 77.96 ? 119 SER A O 1 1 +ATOM 914 C CB . SER A 1 123 ? 6.545 1.919 -38.273 1 90.535 ? 119 SER A CB 1 1 +ATOM 915 O OG . SER A 1 123 ? 5.387 2.12 -37.48 1 93.396 ? 119 SER A OG 1 1 +ATOM 916 N N . VAL A 1 124 ? 7.891 -0.382 -40.222 1 91.433 ? 120 VAL A N 1 1 +ATOM 917 C CA . VAL A 1 124 ? 8.923 -0.613 -41.218 1 91.22 ? 120 VAL A CA 1 1 +ATOM 918 C C . VAL A 1 124 ? 8.674 0.267 -42.443 1 85.053 ? 120 VAL A C 1 1 +ATOM 919 O O . VAL A 1 124 ? 7.615 0.208 -43.074 1 97.171 ? 120 VAL A O 1 1 +ATOM 920 C CB . VAL A 1 124 ? 8.993 -2.107 -41.585 1 98.049 ? 120 VAL A CB 1 1 +ATOM 921 C CG1 . VAL A 1 124 ? 10.055 -2.348 -42.643 1 104.003 ? 120 VAL A CG1 1 1 +ATOM 922 C CG2 . VAL A 1 124 ? 9.256 -2.959 -40.353 1 102.878 ? 120 VAL A CG2 1 1 +ATOM 923 N N . PHE A 1 125 ? 9.696 1.04 -42.812 1 76.275 ? 121 PHE A N 1 1 +ATOM 924 C CA . PHE A 1 125 ? 9.63 1.863 -44.006 1 77.815 ? 121 PHE A CA 1 1 +ATOM 925 C C . PHE A 1 125 ? 10.744 1.457 -44.955 1 76.215 ? 121 PHE A C 1 1 +ATOM 926 O O . PHE A 1 125 ? 11.833 1.11 -44.525 1 85.263 ? 121 PHE A O 1 1 +ATOM 927 C CB . PHE A 1 125 ? 9.752 3.336 -43.631 1 82.696 ? 121 PHE A CB 1 1 +ATOM 928 C CG . PHE A 1 125 ? 8.725 3.75 -42.591 1 90.773 ? 121 PHE A CG 1 1 +ATOM 929 C CD1 . PHE A 1 125 ? 7.372 3.803 -42.921 1 98.383 ? 121 PHE A CD1 1 1 +ATOM 930 C CD2 . PHE A 1 125 ? 9.113 4.094 -41.296 1 92.97 ? 121 PHE A CD2 1 1 +ATOM 931 C CE1 . PHE A 1 125 ? 6.431 4.181 -41.974 1 103.881 ? 121 PHE A CE1 1 1 +ATOM 932 C CE2 . PHE A 1 125 ? 8.166 4.455 -40.347 1 94.913 ? 121 PHE A CE2 1 1 +ATOM 933 C CZ . PHE A 1 125 ? 6.83 4.497 -40.687 1 101.016 ? 121 PHE A CZ 1 1 +ATOM 934 N N . PRO A 1 126 ? 10.492 1.46 -46.273 1 73.53 ? 122 PRO A N 1 1 +ATOM 935 C CA . PRO A 1 126 ? 11.526 1.131 -47.244 1 77.592 ? 122 PRO A CA 1 1 +ATOM 936 C C . PRO A 1 126 ? 12.484 2.272 -47.538 1 72.83 ? 122 PRO A C 1 1 +ATOM 937 O O . PRO A 1 126 ? 12.082 3.42 -47.542 1 71.609 ? 122 PRO A O 1 1 +ATOM 938 C CB . PRO A 1 126 ? 10.675 0.788 -48.46 1 82.063 ? 122 PRO A CB 1 1 +ATOM 939 C CG . PRO A 1 126 ? 9.53 1.767 -48.369 1 83.983 ? 122 PRO A CG 1 1 +ATOM 940 C CD . PRO A 1 126 ? 9.196 1.73 -46.897 1 79.088 ? 122 PRO A CD 1 1 +ATOM 941 N N . LEU A 1 127 ? 13.742 1.921 -47.802 1 69.855 ? 123 LEU A N 1 1 +ATOM 942 C CA . LEU A 1 127 ? 14.736 2.879 -48.234 1 76.925 ? 123 LEU A CA 1 1 +ATOM 943 C C . LEU A 1 127 ? 15.034 2.597 -49.7 1 85.561 ? 123 LEU A C 1 1 +ATOM 944 O O . LEU A 1 127 ? 15.826 1.716 -49.999 1 85.664 ? 123 LEU A O 1 1 +ATOM 945 C CB . LEU A 1 127 ? 15.992 2.785 -47.38 1 77.547 ? 123 LEU A CB 1 1 +ATOM 946 C CG . LEU A 1 127 ? 15.786 2.959 -45.87 1 85.072 ? 123 LEU A CG 1 1 +ATOM 947 C CD1 . LEU A 1 127 ? 17.093 2.622 -45.158 1 88.77 ? 123 LEU A CD1 1 1 +ATOM 948 C CD2 . LEU A 1 127 ? 15.32 4.323 -45.442 1 82.764 ? 123 LEU A CD2 1 1 +ATOM 949 N N . ALA A 1 128 ? 14.38 3.362 -50.588 1 93.237 ? 124 ALA A N 1 1 +ATOM 950 C CA . ALA A 1 128 ? 14.318 3.038 -52.003 1 94.252 ? 124 ALA A CA 1 1 +ATOM 951 C C . ALA A 1 128 ? 15.648 3.341 -52.691 1 95.29 ? 124 ALA A C 1 1 +ATOM 952 O O . ALA A 1 128 ? 16.242 4.397 -52.469 1 103.301 ? 124 ALA A O 1 1 +ATOM 953 C CB . ALA A 1 128 ? 13.178 3.795 -52.667 1 97.818 ? 124 ALA A CB 1 1 +ATOM 954 N N . PRO A 1 129 ? 16.115 2.454 -53.604 1 90.154 ? 125 PRO A N 1 1 +ATOM 955 C CA . PRO A 1 129 ? 17.291 2.754 -54.42 1 91.196 ? 125 PRO A CA 1 1 +ATOM 956 C C . PRO A 1 129 ? 16.902 3.634 -55.602 1 103.71 ? 125 PRO A C 1 1 +ATOM 957 O O . PRO A 1 129 ? 16.326 3.153 -56.57 1 115.274 ? 125 PRO A O 1 1 +ATOM 958 C CB . PRO A 1 129 ? 17.781 1.39 -54.872 1 86.78 ? 125 PRO A CB 1 1 +ATOM 959 C CG . PRO A 1 129 ? 16.571 0.468 -54.755 1 84.016 ? 125 PRO A CG 1 1 +ATOM 960 C CD . PRO A 1 129 ? 15.507 1.149 -53.921 1 84.037 ? 125 PRO A CD 1 1 +ATOM 961 N N . SER A 1 130 ? 17.229 4.924 -55.546 1 115.029 ? 126 SER A N 1 1 +ATOM 962 C CA . SER A 1 130 ? 17.019 5.803 -56.691 1 123.715 ? 126 SER A CA 1 1 +ATOM 963 C C . SER A 1 130 ? 18.369 6.118 -57.349 1 127.965 ? 126 SER A C 1 1 +ATOM 964 O O . SER A 1 130 ? 19.338 5.392 -57.146 1 114.25 ? 126 SER A O 1 1 +ATOM 965 C CB . SER A 1 130 ? 16.229 7.038 -56.274 1 134.394 ? 126 SER A CB 1 1 +ATOM 966 O OG . SER A 1 130 ? 16.795 7.681 -55.136 1 148.622 ? 126 SER A OG 1 1 +ATOM 967 N N . SER A 1 131 ? 18.436 7.162 -58.183 1 139.524 ? 127 SER A N 1 1 +ATOM 968 C CA . SER A 1 131 ? 19.718 7.585 -58.718 1 139.709 ? 127 SER A CA 1 1 +ATOM 969 C C . SER A 1 131 ? 20.508 8.354 -57.647 1 151.419 ? 127 SER A C 1 1 +ATOM 970 O O . SER A 1 131 ? 21.723 8.356 -57.729 1 136.774 ? 127 SER A O 1 1 +ATOM 971 C CB . SER A 1 131 ? 19.591 8.341 -60.029 1 126.563 ? 127 SER A CB 1 1 +ATOM 972 O OG . SER A 1 131 ? 18.908 9.567 -59.84 1 123.669 ? 127 SER A OG 1 1 +ATOM 973 N N . LYS A 1 132 ? 19.852 8.964 -56.633 1 171.046 ? 128 LYS A N 1 1 +ATOM 974 C CA . LYS A 1 132 ? 20.499 9.6 -55.466 1 154.233 ? 128 LYS A CA 1 1 +ATOM 975 C C . LYS A 1 132 ? 21.159 8.59 -54.509 1 145.788 ? 128 LYS A C 1 1 +ATOM 976 O O . LYS A 1 132 ? 22.045 8.932 -53.701 1 118.041 ? 128 LYS A O 1 1 +ATOM 977 C CB . LYS A 1 132 ? 19.52 10.408 -54.591 1 132.966 ? 128 LYS A CB 1 1 +ATOM 978 C CG . LYS A 1 132 ? 18.758 11.522 -55.281 1 135.163 ? 128 LYS A CG 1 1 +ATOM 979 C CD . LYS A 1 132 ? 19.617 12.628 -55.9 1 131.114 ? 128 LYS A CD 1 1 +ATOM 980 C CE . LYS A 1 132 ? 18.801 13.621 -56.703 1 124.011 ? 128 LYS A CE 1 1 +ATOM 981 N NZ . LYS A 1 132 ? 19.192 15.026 -56.55 1 124.118 ? 128 LYS A NZ 1 1 +ATOM 982 N N . SER A 1 133 ? 20.677 7.342 -54.589 1 144.398 ? 129 SER A N 1 1 +ATOM 983 C CA . SER A 1 133 ? 21.212 6.242 -53.81 1 133.582 ? 129 SER A CA 1 1 +ATOM 984 C C . SER A 1 133 ? 22.126 5.372 -54.684 1 136.683 ? 129 SER A C 1 1 +ATOM 985 O O . SER A 1 133 ? 22.116 4.155 -54.498 1 128.068 ? 129 SER A O 1 1 +ATOM 986 C CB . SER A 1 133 ? 20.066 5.445 -53.182 1 121.216 ? 129 SER A CB 1 1 +ATOM 987 O OG . SER A 1 133 ? 19.117 6.311 -52.55 1 99.125 ? 129 SER A OG 1 1 +ATOM 988 N N . THR A 1 134 ? 22.911 5.995 -55.603 1 133.468 ? 130 THR A N 1 1 +ATOM 989 C CA . THR A 1 134 ? 23.935 5.333 -56.427 1 137.111 ? 130 THR A CA 1 1 +ATOM 990 C C . THR A 1 134 ? 25.245 6.145 -56.404 1 135.963 ? 130 THR A C 1 1 +ATOM 991 O O . THR A 1 134 ? 25.202 7.363 -56.382 1 142.768 ? 130 THR A O 1 1 +ATOM 992 C CB . THR A 1 134 ? 23.464 5.114 -57.872 1 136.974 ? 130 THR A CB 1 1 +ATOM 993 O OG1 . THR A 1 134 ? 23.11 6.363 -58.445 1 137.578 ? 130 THR A OG1 1 1 +ATOM 994 C CG2 . THR A 1 134 ? 22.258 4.202 -57.999 1 141.972 ? 130 THR A CG2 1 1 +ATOM 995 N N . SER A 1 135 ? 26.428 5.493 -56.416 1 139.049 ? 131 SER A N 1 1 +ATOM 996 C CA . SER A 1 135 ? 27.701 6.149 -56.102 1 139.411 ? 131 SER A CA 1 1 +ATOM 997 C C . SER A 1 135 ? 28.903 5.276 -56.479 1 138.117 ? 131 SER A C 1 1 +ATOM 998 O O . SER A 1 135 ? 29.335 4.436 -55.696 1 127.966 ? 131 SER A O 1 1 +ATOM 999 C CB . SER A 1 135 ? 27.786 6.525 -54.616 1 133.921 ? 131 SER A CB 1 1 +ATOM 1000 O OG . SER A 1 135 ? 28.901 7.358 -54.323 1 123.815 ? 131 SER A OG 1 1 +ATOM 1001 N N . GLY A 1 136 ? 29.483 5.496 -57.663 1 139.047 ? 132 GLY A N 1 1 +ATOM 1002 C CA . GLY A 1 136 ? 30.688 4.78 -58.07 1 135.342 ? 132 GLY A CA 1 1 +ATOM 1003 C C . GLY A 1 136 ? 30.388 3.343 -58.499 1 129.637 ? 132 GLY A C 1 1 +ATOM 1004 O O . GLY A 1 136 ? 31.137 2.414 -58.159 1 114.358 ? 132 GLY A O 1 1 +ATOM 1005 N N . GLY A 1 137 ? 29.281 3.216 -59.257 1 114.476 ? 133 GLY A N 1 1 +ATOM 1006 C CA . GLY A 1 137 ? 28.775 1.962 -59.784 1 102.745 ? 133 GLY A CA 1 1 +ATOM 1007 C C . GLY A 1 137 ? 27.968 1.158 -58.766 1 92.739 ? 133 GLY A C 1 1 +ATOM 1008 O O . GLY A 1 137 ? 27.448 0.114 -59.127 1 94.69 ? 133 GLY A O 1 1 +ATOM 1009 N N . THR A 1 138 ? 27.889 1.615 -57.51 1 86.784 ? 134 THR A N 1 1 +ATOM 1010 C CA . THR A 1 138 ? 27.231 0.895 -56.426 1 91.129 ? 134 THR A CA 1 1 +ATOM 1011 C C . THR A 1 138 ? 25.89 1.561 -56.124 1 85.297 ? 134 THR A C 1 1 +ATOM 1012 O O . THR A 1 138 ? 25.784 2.753 -56.291 1 82.738 ? 134 THR A O 1 1 +ATOM 1013 C CB . THR A 1 138 ? 28.115 0.888 -55.174 1 97.638 ? 134 THR A CB 1 1 +ATOM 1014 O OG1 . THR A 1 138 ? 29.371 0.341 -55.543 1 102.599 ? 134 THR A OG1 1 1 +ATOM 1015 C CG2 . THR A 1 138 ? 27.571 0.016 -54.052 1 97.885 ? 134 THR A CG2 1 1 +ATOM 1016 N N . ALA A 1 139 ? 24.88 0.792 -55.696 1 83.717 ? 135 ALA A N 1 1 +ATOM 1017 C CA . ALA A 1 139 ? 23.559 1.296 -55.339 1 85.42 ? 135 ALA A CA 1 1 +ATOM 1018 C C . ALA A 1 139 ? 23.175 0.748 -53.98 1 83.673 ? 135 ALA A C 1 1 +ATOM 1019 O O . ALA A 1 139 ? 23.532 -0.373 -53.673 1 87.278 ? 135 ALA A O 1 1 +ATOM 1020 C CB . ALA A 1 139 ? 22.506 0.861 -56.341 1 92.807 ? 135 ALA A CB 1 1 +ATOM 1021 N N . ALA A 1 140 ? 22.38 1.494 -53.207 1 94.498 ? 136 ALA A N 1 1 +ATOM 1022 C CA . ALA A 1 140 ? 21.994 1.014 -51.887 1 94.269 ? 136 ALA A CA 1 1 +ATOM 1023 C C . ALA A 1 140 ? 20.484 1.133 -51.672 1 91.476 ? 136 ALA A C 1 1 +ATOM 1024 O O . ALA A 1 140 ? 19.815 2.004 -52.264 1 77.815 ? 136 ALA A O 1 1 +ATOM 1025 C CB . ALA A 1 140 ? 22.768 1.747 -50.806 1 94.406 ? 136 ALA A CB 1 1 +ATOM 1026 N N . LEU A 1 141 ? 20.003 0.236 -50.794 1 86.909 ? 137 LEU A N 1 1 +ATOM 1027 C CA . LEU A 1 141 ? 18.612 0.149 -50.391 1 92.169 ? 137 LEU A CA 1 1 +ATOM 1028 C C . LEU A 1 141 ? 18.548 -0.446 -48.988 1 85.474 ? 137 LEU A C 1 1 +ATOM 1029 O O . LEU A 1 141 ? 19.562 -0.877 -48.456 1 86.97 ? 137 LEU A O 1 1 +ATOM 1030 C CB . LEU A 1 141 ? 17.867 -0.729 -51.385 1 96.656 ? 137 LEU A CB 1 1 +ATOM 1031 C CG . LEU A 1 141 ? 18.213 -2.222 -51.342 1 102.078 ? 137 LEU A CG 1 1 +ATOM 1032 C CD1 . LEU A 1 141 ? 17.096 -3.076 -50.735 1 107.761 ? 137 LEU A CD1 1 1 +ATOM 1033 C CD2 . LEU A 1 141 ? 18.577 -2.725 -52.729 1 115.087 ? 137 LEU A CD2 1 1 +ATOM 1034 N N . GLY A 1 142 ? 17.357 -0.477 -48.389 1 79.499 ? 138 GLY A N 1 1 +ATOM 1035 C CA . GLY A 1 142 ? 17.273 -0.943 -47.019 1 82.053 ? 138 GLY A CA 1 1 +ATOM 1036 C C . GLY A 1 142 ? 15.891 -0.743 -46.4 1 90.194 ? 138 GLY A C 1 1 +ATOM 1037 O O . GLY A 1 142 ? 14.902 -0.517 -47.101 1 76.65 ? 138 GLY A O 1 1 +ATOM 1038 N N . CYS A 1 143 ? 15.865 -0.858 -45.064 1 94.591 ? 139 CYS A N 1 1 +ATOM 1039 C CA . CYS A 1 143 ? 14.65 -0.789 -44.277 1 91.797 ? 139 CYS A CA 1 1 +ATOM 1040 C C . CYS A 1 143 ? 14.931 0.014 -43.013 1 91.349 ? 139 CYS A C 1 1 +ATOM 1041 O O . CYS A 1 143 ? 15.958 -0.136 -42.372 1 78.646 ? 139 CYS A O 1 1 +ATOM 1042 C CB . CYS A 1 143 ? 14.122 -2.182 -43.956 1 92.693 ? 139 CYS A CB 1 1 +ATOM 1043 S SG . CYS A 1 143 ? 13.243 -2.896 -45.369 0.69 97.303 ? 139 CYS A SG 1 1 +ATOM 1044 N N . LEU A 1 144 ? 13.991 0.88 -42.665 1 89.921 ? 140 LEU A N 1 1 +ATOM 1045 C CA . LEU A 1 144 ? 14.045 1.614 -41.424 1 78.897 ? 140 LEU A CA 1 1 +ATOM 1046 C C . LEU A 1 144 ? 12.983 1.03 -40.511 1 77.033 ? 140 LEU A C 1 1 +ATOM 1047 O O . LEU A 1 144 ? 11.807 0.985 -40.855 1 69.132 ? 140 LEU A O 1 1 +ATOM 1048 C CB . LEU A 1 144 ? 13.765 3.074 -41.752 1 89.052 ? 140 LEU A CB 1 1 +ATOM 1049 C CG . LEU A 1 144 ? 13.855 4.061 -40.592 1 92.846 ? 140 LEU A CG 1 1 +ATOM 1050 C CD1 . LEU A 1 144 ? 15.22 3.981 -39.924 1 102.843 ? 140 LEU A CD1 1 1 +ATOM 1051 C CD2 . LEU A 1 144 ? 13.585 5.431 -41.181 1 94.712 ? 140 LEU A CD2 1 1 +ATOM 1052 N N . VAL A 1 145 ? 13.445 0.55 -39.365 1 84.408 ? 141 VAL A N 1 1 +ATOM 1053 C CA . VAL A 1 145 ? 12.605 -0.043 -38.349 1 87.054 ? 141 VAL A CA 1 1 +ATOM 1054 C C . VAL A 1 145 ? 12.518 0.972 -37.222 1 89.058 ? 141 VAL A C 1 1 +ATOM 1055 O O . VAL A 1 145 ? 13.486 1.135 -36.479 1 76.002 ? 141 VAL A O 1 1 +ATOM 1056 C CB . VAL A 1 145 ? 13.263 -1.357 -37.904 1 90.408 ? 141 VAL A CB 1 1 +ATOM 1057 C CG1 . VAL A 1 145 ? 12.514 -2.038 -36.76 1 98.51 ? 141 VAL A CG1 1 1 +ATOM 1058 C CG2 . VAL A 1 145 ? 13.411 -2.288 -39.094 1 90.155 ? 141 VAL A CG2 1 1 +ATOM 1059 N N . LYS A 1 146 ? 11.389 1.688 -37.155 1 89.818 ? 142 LYS A N 1 1 +ATOM 1060 C CA . LYS A 1 146 ? 11.304 2.854 -36.293 1 90.568 ? 142 LYS A CA 1 1 +ATOM 1061 C C . LYS A 1 146 ? 10.344 2.58 -35.139 1 85.83 ? 142 LYS A C 1 1 +ATOM 1062 O O . LYS A 1 146 ? 9.412 1.801 -35.303 1 81.161 ? 142 LYS A O 1 1 +ATOM 1063 C CB . LYS A 1 146 ? 10.931 4.112 -37.09 1 90.07 ? 142 LYS A CB 1 1 +ATOM 1064 C CG . LYS A 1 146 ? 11.482 5.39 -36.457 1 97.318 ? 142 LYS A CG 1 1 +ATOM 1065 C CD . LYS A 1 146 ? 11.052 6.686 -37.136 1 102.896 ? 142 LYS A CD 1 1 +ATOM 1066 C CE . LYS A 1 146 ? 11.56 7.907 -36.406 1 105.891 ? 142 LYS A CE 1 1 +ATOM 1067 N NZ . LYS A 1 146 ? 10.688 8.31 -35.299 1 110.501 ? 142 LYS A NZ 1 1 +ATOM 1068 N N . ASP A 1 147 ? 10.647 3.212 -33.988 1 93.415 ? 143 ASP A N 1 1 +ATOM 1069 C CA . ASP A 1 147 ? 9.788 3.35 -32.809 1 99.713 ? 143 ASP A CA 1 1 +ATOM 1070 C C . ASP A 1 147 ? 9.266 2.016 -32.283 1 90.608 ? 143 ASP A C 1 1 +ATOM 1071 O O . ASP A 1 147 ? 8.09 1.687 -32.455 1 84.145 ? 143 ASP A O 1 1 +ATOM 1072 C CB . ASP A 1 147 ? 8.615 4.288 -33.057 1 112.356 ? 143 ASP A CB 1 1 +ATOM 1073 C CG . ASP A 1 147 ? 9.019 5.698 -33.48 1 111.925 ? 143 ASP A CG 1 1 +ATOM 1074 O OD1 . ASP A 1 147 ? 10.209 6.053 -33.291 1 94.903 ? 143 ASP A OD1 1 1 +ATOM 1075 O OD2 . ASP A 1 147 ? 8.151 6.417 -34.032 1 115.968 ? 143 ASP A OD2 1 1 +ATOM 1076 N N . TYR A 1 148 ? 10.138 1.268 -31.598 1 84.267 ? 144 TYR A N 1 1 +ATOM 1077 C CA . TYR A 1 148 ? 9.727 -0.007 -31.03 1 78.34 ? 144 TYR A CA 1 1 +ATOM 1078 C C . TYR A 1 148 ? 10.337 -0.118 -29.64 1 74.863 ? 144 TYR A C 1 1 +ATOM 1079 O O . TYR A 1 148 ? 11.349 0.509 -29.356 1 70.076 ? 144 TYR A O 1 1 +ATOM 1080 C CB . TYR A 1 148 ? 10.081 -1.184 -31.951 1 73.311 ? 144 TYR A CB 1 1 +ATOM 1081 C CG . TYR A 1 148 ? 11.575 -1.437 -32.098 1 70.41 ? 144 TYR A CG 1 1 +ATOM 1082 C CD1 . TYR A 1 148 ? 12.264 -2.208 -31.167 1 75.23 ? 144 TYR A CD1 1 1 +ATOM 1083 C CD2 . TYR A 1 148 ? 12.309 -0.888 -33.137 1 71.225 ? 144 TYR A CD2 1 1 +ATOM 1084 C CE1 . TYR A 1 148 ? 13.632 -2.429 -31.265 1 77.899 ? 144 TYR A CE1 1 1 +ATOM 1085 C CE2 . TYR A 1 148 ? 13.679 -1.095 -33.243 1 70.377 ? 144 TYR A CE2 1 1 +ATOM 1086 C CZ . TYR A 1 148 ? 14.346 -1.875 -32.31 1 68.801 ? 144 TYR A CZ 1 1 +ATOM 1087 O OH . TYR A 1 148 ? 15.692 -2.107 -32.328 1 57.613 ? 144 TYR A OH 1 1 +ATOM 1088 N N . PHE A 1 149 ? 9.711 -0.944 -28.798 1 83.501 ? 145 PHE A N 1 1 +ATOM 1089 C CA . PHE A 1 149 ? 10.204 -1.204 -27.457 1 82.864 ? 145 PHE A CA 1 1 +ATOM 1090 C C . PHE A 1 149 ? 9.609 -2.513 -26.993 1 76.248 ? 145 PHE A C 1 1 +ATOM 1091 O O . PHE A 1 149 ? 8.469 -2.779 -27.343 1 78.968 ? 145 PHE A O 1 1 +ATOM 1092 C CB . PHE A 1 149 ? 9.728 -0.152 -26.462 1 82.33 ? 145 PHE A CB 1 1 +ATOM 1093 C CG . PHE A 1 149 ? 10.419 -0.196 -25.109 1 81.282 ? 145 PHE A CG 1 1 +ATOM 1094 C CD1 . PHE A 1 149 ? 11.693 0.343 -24.936 1 85.014 ? 145 PHE A CD1 1 1 +ATOM 1095 C CD2 . PHE A 1 149 ? 9.775 -0.726 -24.009 1 85.467 ? 145 PHE A CD2 1 1 +ATOM 1096 C CE1 . PHE A 1 149 ? 12.321 0.321 -23.704 1 87.608 ? 145 PHE A CE1 1 1 +ATOM 1097 C CE2 . PHE A 1 149 ? 10.406 -0.747 -22.785 1 96.077 ? 145 PHE A CE2 1 1 +ATOM 1098 C CZ . PHE A 1 149 ? 11.674 -0.218 -22.634 1 91.727 ? 145 PHE A CZ 1 1 +ATOM 1099 N N . PRO A 1 150 ? 10.327 -3.378 -26.246 1 76.93 ? 146 PRO A N 1 1 +ATOM 1100 C CA . PRO A 1 150 ? 11.774 -3.275 -26.03 1 79.863 ? 146 PRO A CA 1 1 +ATOM 1101 C C . PRO A 1 150 ? 12.6 -3.989 -27.092 1 84.538 ? 146 PRO A C 1 1 +ATOM 1102 O O . PRO A 1 150 ? 12.027 -4.573 -28.021 1 87.727 ? 146 PRO A O 1 1 +ATOM 1103 C CB . PRO A 1 150 ? 11.878 -3.986 -24.682 1 75.195 ? 146 PRO A CB 1 1 +ATOM 1104 C CG . PRO A 1 150 ? 10.895 -5.141 -24.819 1 75.967 ? 146 PRO A CG 1 1 +ATOM 1105 C CD . PRO A 1 150 ? 9.721 -4.504 -25.517 1 78.672 ? 146 PRO A CD 1 1 +ATOM 1106 N N . GLU A 1 151 ? 13.929 -3.994 -26.891 1 75.592 ? 147 GLU A N 1 1 +ATOM 1107 C CA . GLU A 1 151 ? 14.803 -4.743 -27.776 1 75.815 ? 147 GLU A CA 1 1 +ATOM 1108 C C . GLU A 1 151 ? 14.587 -6.233 -27.525 1 73.668 ? 147 GLU A C 1 1 +ATOM 1109 O O . GLU A 1 151 ? 14.278 -6.637 -26.415 1 78.229 ? 147 GLU A O 1 1 +ATOM 1110 C CB . GLU A 1 151 ? 16.247 -4.278 -27.628 1 93.021 ? 147 GLU A CB 1 1 +ATOM 1111 C CG . GLU A 1 151 ? 16.564 -3.078 -28.519 1 104.351 ? 147 GLU A CG 1 1 +ATOM 1112 C CD . GLU A 1 151 ? 17.854 -3.234 -29.3 1 110.842 ? 147 GLU A CD 1 1 +ATOM 1113 O OE1 . GLU A 1 151 ? 17.842 -4.034 -30.29 1 109.775 ? 147 GLU A OE1 1 1 +ATOM 1114 O OE2 . GLU A 1 151 ? 18.859 -2.578 -28.885 1 105.562 ? 147 GLU A OE2 1 1 +ATOM 1115 N N . PRO A 1 152 ? 14.724 -7.117 -28.536 1 82.126 ? 148 PRO A N 1 1 +ATOM 1116 C CA . PRO A 1 152 ? 15.321 -6.794 -29.828 1 94.148 ? 148 PRO A CA 1 1 +ATOM 1117 C C . PRO A 1 152 ? 14.404 -7.01 -31.027 1 107.125 ? 148 PRO A C 1 1 +ATOM 1118 O O . PRO A 1 152 ? 13.256 -7.451 -30.891 1 121.935 ? 148 PRO A O 1 1 +ATOM 1119 C CB . PRO A 1 152 ? 16.332 -7.923 -29.703 1 88.904 ? 148 PRO A CB 1 1 +ATOM 1120 C CG . PRO A 1 152 ? 15.449 -9.139 -29.367 1 82.628 ? 148 PRO A CG 1 1 +ATOM 1121 C CD . PRO A 1 152 ? 14.353 -8.539 -28.484 1 85.349 ? 148 PRO A CD 1 1 +ATOM 1122 N N . VAL A 1 153 ? 14.959 -6.76 -32.212 1 99.54 ? 149 VAL A N 1 1 +ATOM 1123 C CA . VAL A 1 153 ? 14.27 -7.043 -33.458 1 102.314 ? 149 VAL A CA 1 1 +ATOM 1124 C C . VAL A 1 153 ? 15.229 -7.83 -34.329 1 97.766 ? 149 VAL A C 1 1 +ATOM 1125 O O . VAL A 1 153 ? 16.439 -7.698 -34.201 1 117.548 ? 149 VAL A O 1 1 +ATOM 1126 C CB . VAL A 1 153 ? 13.8 -5.784 -34.204 1 107.659 ? 149 VAL A CB 1 1 +ATOM 1127 C CG1 . VAL A 1 153 ? 12.549 -5.202 -33.581 1 118.576 ? 149 VAL A CG1 1 1 +ATOM 1128 C CG2 . VAL A 1 153 ? 14.883 -4.722 -34.234 1 112.772 ? 149 VAL A CG2 1 1 +ATOM 1129 N N . THR A 1 154 ? 14.678 -8.628 -35.225 1 91.902 ? 150 THR A N 1 1 +ATOM 1130 C CA . THR A 1 154 ? 15.512 -9.41 -36.108 1 89.867 ? 150 THR A CA 1 1 +ATOM 1131 C C . THR A 1 154 ? 15.183 -8.926 -37.509 1 81.287 ? 150 THR A C 1 1 +ATOM 1132 O O . THR A 1 154 ? 14.006 -8.797 -37.837 1 86.197 ? 150 THR A O 1 1 +ATOM 1133 C CB . THR A 1 154 ? 15.238 -10.905 -35.903 1 103.621 ? 150 THR A CB 1 1 +ATOM 1134 O OG1 . THR A 1 154 ? 14.368 -11.27 -36.967 1 122.637 ? 150 THR A OG1 1 1 +ATOM 1135 C CG2 . THR A 1 154 ? 14.597 -11.238 -34.562 1 105.965 ? 150 THR A CG2 1 1 +ATOM 1136 N N . VAL A 1 155 ? 16.219 -8.648 -38.304 1 80.6 ? 151 VAL A N 1 1 +ATOM 1137 C CA . VAL A 1 155 ? 16.029 -8.231 -39.685 1 86.42 ? 151 VAL A CA 1 1 +ATOM 1138 C C . VAL A 1 155 ? 16.748 -9.231 -40.572 1 79.874 ? 151 VAL A C 1 1 +ATOM 1139 O O . VAL A 1 155 ? 17.902 -9.535 -40.297 1 82.579 ? 151 VAL A O 1 1 +ATOM 1140 C CB . VAL A 1 155 ? 16.534 -6.807 -39.991 1 86.543 ? 151 VAL A CB 1 1 +ATOM 1141 C CG1 . VAL A 1 155 ? 16.105 -6.333 -41.38 1 96.438 ? 151 VAL A CG1 1 1 +ATOM 1142 C CG2 . VAL A 1 155 ? 16.067 -5.824 -38.929 1 77.813 ? 151 VAL A CG2 1 1 +ATOM 1143 N N . SER A 1 156 ? 16.069 -9.686 -41.628 1 78.677 ? 152 SER A N 1 1 +ATOM 1144 C CA . SER A 1 156 ? 16.638 -10.614 -42.587 1 88.732 ? 152 SER A CA 1 1 +ATOM 1145 C C . SER A 1 156 ? 16.33 -10.099 -43.982 1 91.155 ? 152 SER A C 1 1 +ATOM 1146 O O . SER A 1 156 ? 15.355 -9.38 -44.161 1 105.975 ? 152 SER A O 1 1 +ATOM 1147 C CB . SER A 1 156 ? 16.069 -12 -42.403 1 95.733 ? 152 SER A CB 1 1 +ATOM 1148 O OG . SER A 1 156 ? 14.968 -12.245 -43.277 1 113.016 ? 152 SER A OG 1 1 +ATOM 1149 N N . TRP A 1 157 ? 17.13 -10.489 -44.976 1 89.103 ? 153 TRP A N 1 1 +ATOM 1150 C CA . TRP A 1 157 ? 16.823 -10.107 -46.349 1 91.81 ? 153 TRP A CA 1 1 +ATOM 1151 C C . TRP A 1 157 ? 16.509 -11.351 -47.174 1 90.044 ? 153 TRP A C 1 1 +ATOM 1152 O O . TRP A 1 157 ? 17.232 -12.339 -47.092 1 95.581 ? 153 TRP A O 1 1 +ATOM 1153 C CB . TRP A 1 157 ? 17.975 -9.284 -46.943 1 96.718 ? 153 TRP A CB 1 1 +ATOM 1154 C CG . TRP A 1 157 ? 18.009 -7.885 -46.381 1 86.226 ? 153 TRP A CG 1 1 +ATOM 1155 C CD1 . TRP A 1 157 ? 18.723 -7.393 -45.323 1 79.914 ? 153 TRP A CD1 1 1 +ATOM 1156 C CD2 . TRP A 1 157 ? 17.235 -6.786 -46.896 1 83.057 ? 153 TRP A CD2 1 1 +ATOM 1157 N NE1 . TRP A 1 157 ? 18.416 -6.073 -45.129 1 85.145 ? 153 TRP A NE1 1 1 +ATOM 1158 C CE2 . TRP A 1 157 ? 17.526 -5.666 -46.09 1 78.69 ? 153 TRP A CE2 1 1 +ATOM 1159 C CE3 . TRP A 1 157 ? 16.351 -6.65 -47.969 1 82.535 ? 153 TRP A CE3 1 1 +ATOM 1160 C CZ2 . TRP A 1 157 ? 16.952 -4.421 -46.316 1 73.49 ? 153 TRP A CZ2 1 1 +ATOM 1161 C CZ3 . TRP A 1 157 ? 15.807 -5.415 -48.21 1 80.323 ? 153 TRP A CZ3 1 1 +ATOM 1162 C CH2 . TRP A 1 157 ? 16.097 -4.322 -47.388 1 75.914 ? 153 TRP A CH2 1 1 +ATOM 1163 N N . ASN A 1 158 ? 15.386 -11.288 -47.901 1 92.053 ? 154 ASN A N 1 1 +ATOM 1164 C CA . ASN A 1 158 ? 14.914 -12.364 -48.76 1 101.492 ? 154 ASN A CA 1 1 +ATOM 1165 C C . ASN A 1 158 ? 14.744 -13.666 -47.97 1 104.163 ? 154 ASN A C 1 1 +ATOM 1166 O O . ASN A 1 158 ? 15.077 -14.754 -48.438 1 109.766 ? 154 ASN A O 1 1 +ATOM 1167 C CB . ASN A 1 158 ? 15.827 -12.503 -49.972 1 114.612 ? 154 ASN A CB 1 1 +ATOM 1168 C CG . ASN A 1 158 ? 15.789 -11.286 -50.868 1 124.923 ? 154 ASN A CG 1 1 +ATOM 1169 O OD1 . ASN A 1 158 ? 14.925 -10.423 -50.694 1 122.641 ? 154 ASN A OD1 1 1 +ATOM 1170 N ND2 . ASN A 1 158 ? 16.708 -11.186 -51.82 1 135.756 ? 154 ASN A ND2 1 1 +ATOM 1171 N N . SER A 1 159 ? 14.188 -13.516 -46.762 1 112.002 ? 155 SER A N 1 1 +ATOM 1172 C CA . SER A 1 159 ? 13.824 -14.582 -45.829 1 112.652 ? 155 SER A CA 1 1 +ATOM 1173 C C . SER A 1 159 ? 15.043 -15.379 -45.372 1 113.649 ? 155 SER A C 1 1 +ATOM 1174 O O . SER A 1 159 ? 14.938 -16.575 -45.136 1 107.465 ? 155 SER A O 1 1 +ATOM 1175 C CB . SER A 1 159 ? 12.743 -15.474 -46.382 1 111.626 ? 155 SER A CB 1 1 +ATOM 1176 O OG . SER A 1 159 ? 11.643 -14.695 -46.83 1 103.814 ? 155 SER A OG 1 1 +ATOM 1177 N N . GLY A 1 160 ? 16.177 -14.695 -45.198 1 127.561 ? 156 GLY A N 1 1 +ATOM 1178 C CA . GLY A 1 160 ? 17.356 -15.324 -44.621 1 122.367 ? 156 GLY A CA 1 1 +ATOM 1179 C C . GLY A 1 160 ? 18.459 -15.554 -45.651 1 109.814 ? 156 GLY A C 1 1 +ATOM 1180 O O . GLY A 1 160 ? 19.627 -15.688 -45.261 1 101.503 ? 156 GLY A O 1 1 +ATOM 1181 N N . ALA A 1 161 ? 18.082 -15.517 -46.943 1 105.294 ? 157 ALA A N 1 1 +ATOM 1182 C CA . ALA A 1 161 ? 18.934 -15.907 -48.066 1 123.787 ? 157 ALA A CA 1 1 +ATOM 1183 C C . ALA A 1 161 ? 20.062 -14.91 -48.36 1 118.139 ? 157 ALA A C 1 1 +ATOM 1184 O O . ALA A 1 161 ? 21.191 -15.321 -48.611 1 116.002 ? 157 ALA A O 1 1 +ATOM 1185 C CB . ALA A 1 161 ? 18.07 -16.088 -49.308 1 138.185 ? 157 ALA A CB 1 1 +ATOM 1186 N N . LEU A 1 162 ? 19.743 -13.608 -48.393 1 118.133 ? 158 LEU A N 1 1 +ATOM 1187 C CA . LEU A 1 162 ? 20.712 -12.582 -48.739 1 95.809 ? 158 LEU A CA 1 1 +ATOM 1188 C C . LEU A 1 162 ? 21.476 -12.11 -47.5 1 95.992 ? 158 LEU A C 1 1 +ATOM 1189 O O . LEU A 1 162 ? 20.859 -11.633 -46.546 1 90.434 ? 158 LEU A O 1 1 +ATOM 1190 C CB . LEU A 1 162 ? 19.96 -11.425 -49.373 1 93.416 ? 158 LEU A CB 1 1 +ATOM 1191 C CG . LEU A 1 162 ? 20.872 -10.277 -49.809 1 102.652 ? 158 LEU A CG 1 1 +ATOM 1192 C CD1 . LEU A 1 162 ? 21.85 -10.803 -50.856 1 98.894 ? 158 LEU A CD1 1 1 +ATOM 1193 C CD2 . LEU A 1 162 ? 20.081 -9.084 -50.335 1 116.081 ? 158 LEU A CD2 1 1 +ATOM 1194 N N . THR A 1 163 ? 22.812 -12.281 -47.514 1 106.995 ? 159 THR A N 1 1 +ATOM 1195 C CA . THR A 1 163 ? 23.71 -11.726 -46.494 1 106.899 ? 159 THR A CA 1 1 +ATOM 1196 C C . THR A 1 163 ? 24.909 -11.004 -47.123 1 94.877 ? 159 THR A C 1 1 +ATOM 1197 O O . THR A 1 163 ? 25.603 -10.264 -46.44 1 88.703 ? 159 THR A O 1 1 +ATOM 1198 C CB . THR A 1 163 ? 24.215 -12.774 -45.497 1 106.013 ? 159 THR A CB 1 1 +ATOM 1199 O OG1 . THR A 1 163 ? 24.969 -13.7 -46.273 1 88.469 ? 159 THR A OG1 1 1 +ATOM 1200 C CG2 . THR A 1 163 ? 23.101 -13.439 -44.702 1 114.936 ? 159 THR A CG2 1 1 +ATOM 1201 N N . SER A 1 164 ? 25.166 -11.218 -48.413 1 92.611 ? 160 SER A N 1 1 +ATOM 1202 C CA . SER A 1 164 ? 26.185 -10.506 -49.165 1 97.117 ? 160 SER A CA 1 1 +ATOM 1203 C C . SER A 1 164 ? 25.918 -9 -49.206 1 98.349 ? 160 SER A C 1 1 +ATOM 1204 O O . SER A 1 164 ? 24.931 -8.553 -49.796 1 94.014 ? 160 SER A O 1 1 +ATOM 1205 C CB . SER A 1 164 ? 26.233 -11.083 -50.573 1 107.532 ? 160 SER A CB 1 1 +ATOM 1206 O OG . SER A 1 164 ? 27.008 -10.298 -51.472 1 103.982 ? 160 SER A OG 1 1 +ATOM 1207 N N . GLY A 1 165 ? 26.844 -8.219 -48.626 1 107.873 ? 161 GLY A N 1 1 +ATOM 1208 C CA . GLY A 1 165 ? 26.823 -6.758 -48.696 1 108.485 ? 161 GLY A CA 1 1 +ATOM 1209 C C . GLY A 1 165 ? 25.76 -6.113 -47.807 1 99.001 ? 161 GLY A C 1 1 +ATOM 1210 O O . GLY A 1 165 ? 25.407 -4.945 -47.982 1 100.546 ? 161 GLY A O 1 1 +ATOM 1211 N N . VAL A 1 166 ? 25.293 -6.881 -46.816 1 98.385 ? 162 VAL A N 1 1 +ATOM 1212 C CA . VAL A 1 166 ? 24.232 -6.463 -45.912 1 87.687 ? 162 VAL A CA 1 1 +ATOM 1213 C C . VAL A 1 166 ? 24.919 -5.831 -44.709 1 86.805 ? 162 VAL A C 1 1 +ATOM 1214 O O . VAL A 1 166 ? 25.908 -6.369 -44.227 1 96.34 ? 162 VAL A O 1 1 +ATOM 1215 C CB . VAL A 1 166 ? 23.297 -7.631 -45.511 1 78.39 ? 162 VAL A CB 1 1 +ATOM 1216 C CG1 . VAL A 1 166 ? 22.267 -7.214 -44.479 1 70.138 ? 162 VAL A CG1 1 1 +ATOM 1217 C CG2 . VAL A 1 166 ? 22.563 -8.24 -46.712 1 80.406 ? 162 VAL A CG2 1 1 +ATOM 1218 N N . HIS A 1 167 ? 24.403 -4.677 -44.266 1 91.788 ? 163 HIS A N 1 1 +ATOM 1219 C CA . HIS A 1 167 ? 24.841 -4.021 -43.046 1 83.604 ? 163 HIS A CA 1 1 +ATOM 1220 C C . HIS A 1 167 ? 23.602 -3.768 -42.193 1 75.7 ? 163 HIS A C 1 1 +ATOM 1221 O O . HIS A 1 167 ? 22.835 -2.874 -42.511 1 73.485 ? 163 HIS A O 1 1 +ATOM 1222 C CB . HIS A 1 167 ? 25.597 -2.729 -43.386 1 75.405 ? 163 HIS A CB 1 1 +ATOM 1223 C CG . HIS A 1 167 ? 26.916 -2.941 -44.043 1 82.254 ? 163 HIS A CG 1 1 +ATOM 1224 N ND1 . HIS A 1 167 ? 27.884 -3.745 -43.481 1 92.2 ? 163 HIS A ND1 1 1 +ATOM 1225 C CD2 . HIS A 1 167 ? 27.452 -2.464 -45.182 1 94.853 ? 163 HIS A CD2 1 1 +ATOM 1226 C CE1 . HIS A 1 167 ? 28.979 -3.736 -44.248 1 109.878 ? 163 HIS A CE1 1 1 +ATOM 1227 N NE2 . HIS A 1 167 ? 28.731 -2.976 -45.297 1 106.786 ? 163 HIS A NE2 1 1 +ATOM 1228 N N . THR A 1 168 ? 23.379 -4.563 -41.139 1 73.455 ? 164 THR A N 1 1 +ATOM 1229 C CA . THR A 1 168 ? 22.34 -4.217 -40.176 1 81.85 ? 164 THR A CA 1 1 +ATOM 1230 C C . THR A 1 168 ? 22.953 -3.514 -38.964 1 79.305 ? 164 THR A C 1 1 +ATOM 1231 O O . THR A 1 168 ? 23.786 -4.069 -38.253 1 78.618 ? 164 THR A O 1 1 +ATOM 1232 C CB . THR A 1 168 ? 21.537 -5.427 -39.719 1 83.036 ? 164 THR A CB 1 1 +ATOM 1233 O OG1 . THR A 1 168 ? 20.908 -5.936 -40.884 1 87.964 ? 164 THR A OG1 1 1 +ATOM 1234 C CG2 . THR A 1 168 ? 20.458 -5.026 -38.731 1 78.754 ? 164 THR A CG2 1 1 +ATOM 1235 N N . PHE A 1 169 ? 22.473 -2.298 -38.709 1 77.852 ? 165 PHE A N 1 1 +ATOM 1236 C CA . PHE A 1 169 ? 23.059 -1.428 -37.708 1 79.563 ? 165 PHE A CA 1 1 +ATOM 1237 C C . PHE A 1 169 ? 22.52 -1.708 -36.3 1 76.819 ? 165 PHE A C 1 1 +ATOM 1238 O O . PHE A 1 169 ? 21.366 -2.115 -36.091 1 62.265 ? 165 PHE A O 1 1 +ATOM 1239 C CB . PHE A 1 169 ? 22.811 0.014 -38.162 1 78.486 ? 165 PHE A CB 1 1 +ATOM 1240 C CG . PHE A 1 169 ? 23.59 0.373 -39.42 1 75.415 ? 165 PHE A CG 1 1 +ATOM 1241 C CD1 . PHE A 1 169 ? 24.885 0.87 -39.343 1 68.74 ? 165 PHE A CD1 1 1 +ATOM 1242 C CD2 . PHE A 1 169 ? 23.021 0.224 -40.683 1 76.071 ? 165 PHE A CD2 1 1 +ATOM 1243 C CE1 . PHE A 1 169 ? 25.595 1.176 -40.497 1 68.601 ? 165 PHE A CE1 1 1 +ATOM 1244 C CE2 . PHE A 1 169 ? 23.745 0.537 -41.832 1 72.004 ? 165 PHE A CE2 1 1 +ATOM 1245 C CZ . PHE A 1 169 ? 25.035 0.989 -41.736 1 67.494 ? 165 PHE A CZ 1 1 +ATOM 1246 N N . PRO A 1 170 ? 23.367 -1.424 -35.284 1 81.409 ? 166 PRO A N 1 1 +ATOM 1247 C CA . PRO A 1 170 ? 22.942 -1.409 -33.888 1 80.215 ? 166 PRO A CA 1 1 +ATOM 1248 C C . PRO A 1 170 ? 21.817 -0.398 -33.735 1 79.171 ? 166 PRO A C 1 1 +ATOM 1249 O O . PRO A 1 170 ? 21.913 0.725 -34.225 1 86.914 ? 166 PRO A O 1 1 +ATOM 1250 C CB . PRO A 1 170 ? 24.181 -0.991 -33.058 1 80.015 ? 166 PRO A CB 1 1 +ATOM 1251 C CG . PRO A 1 170 ? 25.349 -0.911 -34.036 1 80.744 ? 166 PRO A CG 1 1 +ATOM 1252 C CD . PRO A 1 170 ? 24.787 -1.062 -35.443 1 83.292 ? 166 PRO A CD 1 1 +ATOM 1253 N N . ALA A 1 171 ? 20.778 -0.785 -33.003 1 79.704 ? 167 ALA A N 1 1 +ATOM 1254 C CA . ALA A 1 171 ? 19.704 0.146 -32.706 1 86.632 ? 167 ALA A CA 1 1 +ATOM 1255 C C . ALA A 1 171 ? 20.24 1.297 -31.859 1 78.022 ? 167 ALA A C 1 1 +ATOM 1256 O O . ALA A 1 171 ? 21.164 1.142 -31.078 1 86.867 ? 167 ALA A O 1 1 +ATOM 1257 C CB . ALA A 1 171 ? 18.576 -0.598 -32.025 1 96.532 ? 167 ALA A CB 1 1 +ATOM 1258 N N . VAL A 1 172 ? 19.649 2.47 -32.021 1 80.301 ? 168 VAL A N 1 1 +ATOM 1259 C CA . VAL A 1 172 ? 19.927 3.59 -31.136 1 92.591 ? 168 VAL A CA 1 1 +ATOM 1260 C C . VAL A 1 172 ? 18.635 3.918 -30.373 1 95.203 ? 168 VAL A C 1 1 +ATOM 1261 O O . VAL A 1 172 ? 17.525 3.675 -30.874 1 98.725 ? 168 VAL A O 1 1 +ATOM 1262 C CB . VAL A 1 172 ? 20.483 4.797 -31.928 1 102.082 ? 168 VAL A CB 1 1 +ATOM 1263 C CG1 . VAL A 1 172 ? 21.64 4.403 -32.845 1 109.646 ? 168 VAL A CG1 1 1 +ATOM 1264 C CG2 . VAL A 1 172 ? 19.423 5.517 -32.762 1 103.275 ? 168 VAL A CG2 1 1 +ATOM 1265 N N . LEU A 1 173 ? 18.778 4.473 -29.16 1 87.666 ? 169 LEU A N 1 1 +ATOM 1266 C CA . LEU A 1 173 ? 17.618 4.869 -28.366 1 91.884 ? 169 LEU A CA 1 1 +ATOM 1267 C C . LEU A 1 173 ? 17.262 6.324 -28.66 1 95.293 ? 169 LEU A C 1 1 +ATOM 1268 O O . LEU A 1 173 ? 18.082 7.205 -28.466 1 99.842 ? 169 LEU A O 1 1 +ATOM 1269 C CB . LEU A 1 173 ? 17.876 4.693 -26.872 1 94.796 ? 169 LEU A CB 1 1 +ATOM 1270 C CG . LEU A 1 173 ? 16.653 4.861 -25.966 1 91.661 ? 169 LEU A CG 1 1 +ATOM 1271 C CD1 . LEU A 1 173 ? 15.594 3.801 -26.253 1 94.985 ? 169 LEU A CD1 1 1 +ATOM 1272 C CD2 . LEU A 1 173 ? 17.116 4.8 -24.527 1 88.121 ? 169 LEU A CD2 1 1 +ATOM 1273 N N . GLN A 1 174 ? 16.027 6.583 -29.097 1 101.444 ? 170 GLN A N 1 1 +ATOM 1274 C CA . GLN A 1 174 ? 15.599 7.939 -29.416 1 102.415 ? 170 GLN A CA 1 1 +ATOM 1275 C C . GLN A 1 174 ? 15.234 8.67 -28.122 1 103.361 ? 170 GLN A C 1 1 +ATOM 1276 O O . GLN A 1 174 ? 14.977 8.054 -27.098 1 101.432 ? 170 GLN A O 1 1 +ATOM 1277 C CB . GLN A 1 174 ? 14.453 7.906 -30.433 1 99.464 ? 170 GLN A CB 1 1 +ATOM 1278 C CG . GLN A 1 174 ? 14.776 7.127 -31.706 1 99.173 ? 170 GLN A CG 1 1 +ATOM 1279 C CD . GLN A 1 174 ? 13.618 7.053 -32.675 1 105.946 ? 170 GLN A CD 1 1 +ATOM 1280 O OE1 . GLN A 1 174 ? 13.758 7.271 -33.888 1 102.056 ? 170 GLN A OE1 1 1 +ATOM 1281 N NE2 . GLN A 1 174 ? 12.457 6.705 -32.137 1 112.898 ? 170 GLN A NE2 1 1 +ATOM 1282 N N . SER A 1 175 ? 15.192 10.004 -28.17 1 113.884 ? 171 SER A N 1 1 +ATOM 1283 C CA . SER A 1 175 ? 14.786 10.792 -27.016 1 117.231 ? 171 SER A CA 1 1 +ATOM 1284 C C . SER A 1 175 ? 13.338 10.472 -26.624 1 115.732 ? 171 SER A C 1 1 +ATOM 1285 O O . SER A 1 175 ? 12.916 10.774 -25.513 1 115.293 ? 171 SER A O 1 1 +ATOM 1286 C CB . SER A 1 175 ? 14.973 12.263 -27.283 1 120.286 ? 171 SER A CB 1 1 +ATOM 1287 O OG . SER A 1 175 ? 14.153 12.69 -28.361 1 122.677 ? 171 SER A OG 1 1 +ATOM 1288 N N . SER A 1 176 ? 12.578 9.863 -27.548 1 114.537 ? 172 SER A N 1 1 +ATOM 1289 C CA . SER A 1 176 ? 11.209 9.432 -27.312 1 109.277 ? 172 SER A CA 1 1 +ATOM 1290 C C . SER A 1 176 ? 11.151 8.169 -26.45 1 103.231 ? 172 SER A C 1 1 +ATOM 1291 O O . SER A 1 176 ? 10.07 7.781 -26.013 1 119.73 ? 172 SER A O 1 1 +ATOM 1292 C CB . SER A 1 176 ? 10.481 9.228 -28.63 1 109.607 ? 172 SER A CB 1 1 +ATOM 1293 O OG . SER A 1 176 ? 11.079 8.225 -29.44 1 100.116 ? 172 SER A OG 1 1 +ATOM 1294 N N . GLY A 1 177 ? 12.305 7.536 -26.216 1 92.934 ? 173 GLY A N 1 1 +ATOM 1295 C CA . GLY A 1 177 ? 12.399 6.35 -25.378 1 99.075 ? 173 GLY A CA 1 1 +ATOM 1296 C C . GLY A 1 177 ? 12.174 5.063 -26.172 1 97.276 ? 173 GLY A C 1 1 +ATOM 1297 O O . GLY A 1 177 ? 12.215 3.978 -25.598 1 93.222 ? 173 GLY A O 1 1 +ATOM 1298 N N . LEU A 1 178 ? 11.937 5.186 -27.485 1 90.537 ? 174 LEU A N 1 1 +ATOM 1299 C CA . LEU A 1 178 ? 11.763 4.043 -28.363 1 82.955 ? 174 LEU A CA 1 1 +ATOM 1300 C C . LEU A 1 178 ? 13.047 3.817 -29.163 1 86.331 ? 174 LEU A C 1 1 +ATOM 1301 O O . LEU A 1 178 ? 13.781 4.748 -29.484 1 91.759 ? 174 LEU A O 1 1 +ATOM 1302 C CB . LEU A 1 178 ? 10.585 4.324 -29.286 1 85.038 ? 174 LEU A CB 1 1 +ATOM 1303 C CG . LEU A 1 178 ? 9.251 4.62 -28.597 1 91.43 ? 174 LEU A CG 1 1 +ATOM 1304 C CD1 . LEU A 1 178 ? 8.309 5.381 -29.504 1 99.431 ? 174 LEU A CD1 1 1 +ATOM 1305 C CD2 . LEU A 1 178 ? 8.579 3.338 -28.158 1 97.633 ? 174 LEU A CD2 1 1 +ATOM 1306 N N . TYR A 1 179 ? 13.307 2.556 -29.51 1 92.737 ? 175 TYR A N 1 1 +ATOM 1307 C CA . TYR A 1 179 ? 14.477 2.189 -30.287 1 85.255 ? 175 TYR A CA 1 1 +ATOM 1308 C C . TYR A 1 179 ? 14.167 2.366 -31.773 1 85.285 ? 175 TYR A C 1 1 +ATOM 1309 O O . TYR A 1 179 ? 13.013 2.303 -32.214 1 77.963 ? 175 TYR A O 1 1 +ATOM 1310 C CB . TYR A 1 179 ? 14.877 0.749 -29.941 1 83.658 ? 175 TYR A CB 1 1 +ATOM 1311 C CG . TYR A 1 179 ? 15.445 0.555 -28.539 1 86.293 ? 175 TYR A CG 1 1 +ATOM 1312 C CD1 . TYR A 1 179 ? 16.796 0.759 -28.261 1 87.136 ? 175 TYR A CD1 1 1 +ATOM 1313 C CD2 . TYR A 1 179 ? 14.639 0.113 -27.505 1 91.747 ? 175 TYR A CD2 1 1 +ATOM 1314 C CE1 . TYR A 1 179 ? 17.317 0.59 -26.991 1 86.411 ? 175 TYR A CE1 1 1 +ATOM 1315 C CE2 . TYR A 1 179 ? 15.151 -0.084 -26.232 1 104.958 ? 175 TYR A CE2 1 1 +ATOM 1316 C CZ . TYR A 1 179 ? 16.485 0.175 -25.972 1 103.208 ? 175 TYR A CZ 1 1 +ATOM 1317 O OH . TYR A 1 179 ? 16.967 -0.025 -24.715 1 140.677 ? 175 TYR A OH 1 1 +ATOM 1318 N N . SER A 1 180 ? 15.234 2.538 -32.549 1 86.014 ? 176 SER A N 1 1 +ATOM 1319 C CA . SER A 1 180 ? 15.098 2.638 -33.989 1 92.886 ? 176 SER A CA 1 1 +ATOM 1320 C C . SER A 1 180 ? 16.382 2.141 -34.659 1 84.638 ? 176 SER A C 1 1 +ATOM 1321 O O . SER A 1 180 ? 17.475 2.511 -34.263 1 83.588 ? 176 SER A O 1 1 +ATOM 1322 C CB . SER A 1 180 ? 14.752 4.058 -34.357 1 96.771 ? 176 SER A CB 1 1 +ATOM 1323 O OG . SER A 1 180 ? 14.621 4.215 -35.758 1 101.9 ? 176 SER A OG 1 1 +ATOM 1324 N N . LEU A 1 181 ? 16.253 1.299 -35.685 1 82.712 ? 177 LEU A N 1 1 +ATOM 1325 C CA . LEU A 1 181 ? 17.434 0.816 -36.379 1 87.204 ? 177 LEU A CA 1 1 +ATOM 1326 C C . LEU A 1 181 ? 17.149 0.652 -37.862 1 84.014 ? 177 LEU A C 1 1 +ATOM 1327 O O . LEU A 1 181 ? 16.025 0.406 -38.265 1 86.333 ? 177 LEU A O 1 1 +ATOM 1328 C CB . LEU A 1 181 ? 17.993 -0.469 -35.765 1 87.159 ? 177 LEU A CB 1 1 +ATOM 1329 C CG . LEU A 1 181 ? 17.361 -1.81 -36.163 1 77.957 ? 177 LEU A CG 1 1 +ATOM 1330 C CD1 . LEU A 1 181 ? 17.91 -2.399 -37.426 1 87.803 ? 177 LEU A CD1 1 1 +ATOM 1331 C CD2 . LEU A 1 181 ? 17.633 -2.795 -35.048 1 75.743 ? 177 LEU A CD2 1 1 +ATOM 1332 N N . SER A 1 182 ? 18.211 0.804 -38.647 1 77.847 ? 178 SER A N 1 1 +ATOM 1333 C CA . SER A 1 182 ? 18.127 0.626 -40.073 1 85.871 ? 178 SER A CA 1 1 +ATOM 1334 C C . SER A 1 182 ? 18.967 -0.588 -40.463 1 85.344 ? 178 SER A C 1 1 +ATOM 1335 O O . SER A 1 182 ? 19.948 -0.898 -39.792 1 79.321 ? 178 SER A O 1 1 +ATOM 1336 C CB . SER A 1 182 ? 18.578 1.865 -40.763 1 93.791 ? 178 SER A CB 1 1 +ATOM 1337 O OG . SER A 1 182 ? 19.995 1.949 -40.763 1 89.732 ? 178 SER A OG 1 1 +ATOM 1338 N N . SER A 1 183 ? 18.513 -1.283 -41.514 1 79.543 ? 179 SER A N 1 1 +ATOM 1339 C CA . SER A 1 183 ? 19.275 -2.309 -42.192 1 79.021 ? 179 SER A CA 1 1 +ATOM 1340 C C . SER A 1 183 ? 19.437 -1.908 -43.654 1 74.884 ? 179 SER A C 1 1 +ATOM 1341 O O . SER A 1 183 ? 18.46 -1.515 -44.268 1 67.716 ? 179 SER A O 1 1 +ATOM 1342 C CB . SER A 1 183 ? 18.558 -3.607 -42.091 1 84.753 ? 179 SER A CB 1 1 +ATOM 1343 O OG . SER A 1 183 ? 19.3 -4.661 -42.7 1 86.099 ? 179 SER A OG 1 1 +ATOM 1344 N N . VAL A 1 184 ? 20.638 -2.047 -44.22 1 71.261 ? 180 VAL A N 1 1 +ATOM 1345 C CA . VAL A 1 184 ? 20.833 -1.726 -45.62 1 72.436 ? 180 VAL A CA 1 1 +ATOM 1346 C C . VAL A 1 184 ? 21.516 -2.882 -46.337 1 80.215 ? 180 VAL A C 1 1 +ATOM 1347 O O . VAL A 1 184 ? 22.068 -3.796 -45.731 1 88.853 ? 180 VAL A O 1 1 +ATOM 1348 C CB . VAL A 1 184 ? 21.667 -0.448 -45.77 1 70.544 ? 180 VAL A CB 1 1 +ATOM 1349 C CG1 . VAL A 1 184 ? 21.021 0.721 -45.058 1 74.641 ? 180 VAL A CG1 1 1 +ATOM 1350 C CG2 . VAL A 1 184 ? 23.084 -0.642 -45.265 1 73.559 ? 180 VAL A CG2 1 1 +ATOM 1351 N N . VAL A 1 185 ? 21.505 -2.797 -47.663 1 83.593 ? 181 VAL A N 1 1 +ATOM 1352 C CA . VAL A 1 185 ? 22.259 -3.718 -48.488 1 84.863 ? 181 VAL A CA 1 1 +ATOM 1353 C C . VAL A 1 185 ? 22.715 -2.983 -49.75 1 88.756 ? 181 VAL A C 1 1 +ATOM 1354 O O . VAL A 1 185 ? 21.919 -2.361 -50.445 1 91.068 ? 181 VAL A O 1 1 +ATOM 1355 C CB . VAL A 1 185 ? 21.429 -4.987 -48.769 1 82.55 ? 181 VAL A CB 1 1 +ATOM 1356 C CG1 . VAL A 1 185 ? 19.982 -4.703 -49.146 1 86.062 ? 181 VAL A CG1 1 1 +ATOM 1357 C CG2 . VAL A 1 185 ? 22.061 -5.853 -49.839 1 92.225 ? 181 VAL A CG2 1 1 +ATOM 1358 N N . THR A 1 186 ? 24.029 -3.016 -50.004 1 92.421 ? 182 THR A N 1 1 +ATOM 1359 C CA . THR A 1 186 ? 24.61 -2.462 -51.219 1 90.539 ? 182 THR A CA 1 1 +ATOM 1360 C C . THR A 1 186 ? 24.677 -3.538 -52.303 1 84.927 ? 182 THR A C 1 1 +ATOM 1361 O O . THR A 1 186 ? 25.027 -4.67 -52.043 1 95.098 ? 182 THR A O 1 1 +ATOM 1362 C CB . THR A 1 186 ? 25.983 -1.864 -50.908 1 94.69 ? 182 THR A CB 1 1 +ATOM 1363 O OG1 . THR A 1 186 ? 26.679 -2.58 -49.889 1 89.618 ? 182 THR A OG1 1 1 +ATOM 1364 C CG2 . THR A 1 186 ? 25.84 -0.48 -50.314 1 106.043 ? 182 THR A CG2 1 1 +ATOM 1365 N N . VAL A 1 187 ? 24.338 -3.169 -53.535 1 91.066 ? 183 VAL A N 1 1 +ATOM 1366 C CA . VAL A 1 187 ? 24.367 -4.042 -54.706 1 87.054 ? 183 VAL A CA 1 1 +ATOM 1367 C C . VAL A 1 187 ? 24.864 -3.219 -55.899 1 79.281 ? 183 VAL A C 1 1 +ATOM 1368 O O . VAL A 1 187 ? 24.646 -2.024 -55.948 1 82.156 ? 183 VAL A O 1 1 +ATOM 1369 C CB . VAL A 1 187 ? 22.968 -4.639 -54.982 1 92.296 ? 183 VAL A CB 1 1 +ATOM 1370 C CG1 . VAL A 1 187 ? 22.601 -5.754 -53.986 1 89.374 ? 183 VAL A CG1 1 1 +ATOM 1371 C CG2 . VAL A 1 187 ? 21.876 -3.558 -55.047 1 93.31 ? 183 VAL A CG2 1 1 +ATOM 1372 N N . PRO A 1 188 ? 25.527 -3.777 -56.927 1 74.456 ? 184 PRO A N 1 1 +ATOM 1373 C CA . PRO A 1 188 ? 25.869 -2.992 -58.112 1 80.046 ? 184 PRO A CA 1 1 +ATOM 1374 C C . PRO A 1 188 ? 24.644 -2.314 -58.717 1 82.369 ? 184 PRO A C 1 1 +ATOM 1375 O O . PRO A 1 188 ? 23.555 -2.868 -58.756 1 82.911 ? 184 PRO A O 1 1 +ATOM 1376 C CB . PRO A 1 188 ? 26.485 -4.022 -59.07 1 80.152 ? 184 PRO A CB 1 1 +ATOM 1377 C CG . PRO A 1 188 ? 27.011 -5.083 -58.148 1 75.571 ? 184 PRO A CG 1 1 +ATOM 1378 C CD . PRO A 1 188 ? 25.967 -5.168 -57.042 1 73.768 ? 184 PRO A CD 1 1 +ATOM 1379 N N . SER A 1 189 ? 24.825 -1.09 -59.193 1 89.123 ? 185 SER A N 1 1 +ATOM 1380 C CA . SER A 1 189 ? 23.692 -0.31 -59.645 1 89.786 ? 185 SER A CA 1 1 +ATOM 1381 C C . SER A 1 189 ? 23.072 -0.94 -60.885 1 91.834 ? 185 SER A C 1 1 +ATOM 1382 O O . SER A 1 189 ? 21.907 -0.65 -61.145 1 90.922 ? 185 SER A O 1 1 +ATOM 1383 C CB . SER A 1 189 ? 24.048 1.154 -59.845 1 93.463 ? 185 SER A CB 1 1 +ATOM 1384 O OG . SER A 1 189 ? 25.112 1.351 -60.752 1 103.672 ? 185 SER A OG 1 1 +ATOM 1385 N N . SER A 1 190 ? 23.821 -1.799 -61.607 1 96.439 ? 186 SER A N 1 1 +ATOM 1386 C CA . SER A 1 190 ? 23.295 -2.432 -62.817 1 99.805 ? 186 SER A CA 1 1 +ATOM 1387 C C . SER A 1 190 ? 22.412 -3.639 -62.5 1 99.542 ? 186 SER A C 1 1 +ATOM 1388 O O . SER A 1 190 ? 21.765 -4.172 -63.393 1 103.98 ? 186 SER A O 1 1 +ATOM 1389 C CB . SER A 1 190 ? 24.38 -2.812 -63.812 1 102.024 ? 186 SER A CB 1 1 +ATOM 1390 O OG . SER A 1 190 ? 25.489 -3.456 -63.2 1 108.404 ? 186 SER A OG 1 1 +ATOM 1391 N N . SER A 1 191 ? 22.371 -4.056 -61.236 1 96.619 ? 187 SER A N 1 1 +ATOM 1392 C CA . SER A 1 191 ? 21.6 -5.215 -60.841 1 104.579 ? 187 SER A CA 1 1 +ATOM 1393 C C . SER A 1 191 ? 20.307 -4.803 -60.149 1 111.887 ? 187 SER A C 1 1 +ATOM 1394 O O . SER A 1 191 ? 19.81 -5.535 -59.288 1 128.33 ? 187 SER A O 1 1 +ATOM 1395 C CB . SER A 1 191 ? 22.412 -6.069 -59.914 1 116.529 ? 187 SER A CB 1 1 +ATOM 1396 O OG . SER A 1 191 ? 22.561 -5.449 -58.639 1 119.795 ? 187 SER A OG 1 1 +ATOM 1397 N N . LEU A 1 192 ? 19.755 -3.636 -60.49 1 111.08 ? 188 LEU A N 1 1 +ATOM 1398 C CA . LEU A 1 192 ? 18.59 -3.16 -59.755 1 114.05 ? 188 LEU A CA 1 1 +ATOM 1399 C C . LEU A 1 192 ? 17.333 -3.767 -60.364 1 120.85 ? 188 LEU A C 1 1 +ATOM 1400 O O . LEU A 1 192 ? 16.489 -4.317 -59.656 1 145.123 ? 188 LEU A O 1 1 +ATOM 1401 C CB . LEU A 1 192 ? 18.5 -1.641 -59.668 1 99.592 ? 188 LEU A CB 1 1 +ATOM 1402 C CG . LEU A 1 192 ? 19.395 -1.033 -58.592 1 95.43 ? 188 LEU A CG 1 1 +ATOM 1403 C CD1 . LEU A 1 192 ? 19.429 0.465 -58.734 1 99.478 ? 188 LEU A CD1 1 1 +ATOM 1404 C CD2 . LEU A 1 192 ? 18.934 -1.449 -57.208 1 92.05 ? 188 LEU A CD2 1 1 +ATOM 1405 N N . GLY A 1 193 ? 17.231 -3.684 -61.687 1 106.161 ? 189 GLY A N 1 1 +ATOM 1406 C CA . GLY A 1 193 ? 16.082 -4.244 -62.357 1 100.296 ? 189 GLY A CA 1 1 +ATOM 1407 C C . GLY A 1 193 ? 16.234 -5.75 -62.507 1 103.081 ? 189 GLY A C 1 1 +ATOM 1408 O O . GLY A 1 193 ? 15.802 -6.257 -63.524 1 106.3 ? 189 GLY A O 1 1 +ATOM 1409 N N . THR A 1 194 ? 16.837 -6.463 -61.542 1 105.083 ? 190 THR A N 1 1 +ATOM 1410 C CA . THR A 1 194 ? 17.079 -7.887 -61.734 1 114.123 ? 190 THR A CA 1 1 +ATOM 1411 C C . THR A 1 194 ? 16.869 -8.702 -60.457 1 112.026 ? 190 THR A C 1 1 +ATOM 1412 O O . THR A 1 194 ? 16.979 -9.928 -60.488 1 104.508 ? 190 THR A O 1 1 +ATOM 1413 C CB . THR A 1 194 ? 18.483 -8.13 -62.29 1 124.993 ? 190 THR A CB 1 1 +ATOM 1414 O OG1 . THR A 1 194 ? 18.411 -9.415 -62.894 1 151.12 ? 190 THR A OG1 1 1 +ATOM 1415 C CG2 . THR A 1 194 ? 19.558 -8.254 -61.228 1 128.69 ? 190 THR A CG2 1 1 +ATOM 1416 N N . GLN A 1 195 ? 16.565 -8.062 -59.326 1 114.363 ? 191 GLN A N 1 1 +ATOM 1417 C CA . GLN A 1 195 ? 16.375 -8.835 -58.111 1 117.245 ? 191 GLN A CA 1 1 +ATOM 1418 C C . GLN A 1 195 ? 15.348 -8.136 -57.236 1 117.308 ? 191 GLN A C 1 1 +ATOM 1419 O O . GLN A 1 195 ? 15.337 -6.908 -57.141 1 127.859 ? 191 GLN A O 1 1 +ATOM 1420 C CB . GLN A 1 195 ? 17.715 -9.07 -57.403 1 121.028 ? 191 GLN A CB 1 1 +ATOM 1421 C CG . GLN A 1 195 ? 17.73 -10.27 -56.459 1 111.98 ? 191 GLN A CG 1 1 +ATOM 1422 C CD . GLN A 1 195 ? 18.847 -11.26 -56.738 1 115.336 ? 191 GLN A CD 1 1 +ATOM 1423 O OE1 . GLN A 1 195 ? 19.492 -11.285 -57.804 1 123.224 ? 191 GLN A OE1 1 1 +ATOM 1424 N NE2 . GLN A 1 195 ? 19.058 -12.125 -55.759 1 105.285 ? 191 GLN A NE2 1 1 +ATOM 1425 N N . THR A 1 196 ? 14.51 -8.95 -56.587 1 117.298 ? 192 THR A N 1 1 +ATOM 1426 C CA . THR A 1 196 ? 13.504 -8.462 -55.653 1 126.142 ? 192 THR A CA 1 1 +ATOM 1427 C C . THR A 1 196 ? 14.065 -8.54 -54.23 1 118.67 ? 192 THR A C 1 1 +ATOM 1428 O O . THR A 1 196 ? 14.512 -9.601 -53.791 1 113.77 ? 192 THR A O 1 1 +ATOM 1429 C CB . THR A 1 196 ? 12.193 -9.24 -55.83 1 117.672 ? 192 THR A CB 1 1 +ATOM 1430 O OG1 . THR A 1 196 ? 11.603 -8.636 -56.98 1 117.743 ? 192 THR A OG1 1 1 +ATOM 1431 C CG2 . THR A 1 196 ? 11.238 -9.116 -54.655 1 107.875 ? 192 THR A CG2 1 1 +ATOM 1432 N N . TYR A 1 197 ? 14.032 -7.399 -53.522 1 105.106 ? 193 TYR A N 1 1 +ATOM 1433 C CA . TYR A 1 197 ? 14.562 -7.329 -52.172 1 103.787 ? 193 TYR A CA 1 1 +ATOM 1434 C C . TYR A 1 197 ? 13.404 -7.117 -51.204 1 90.333 ? 193 TYR A C 1 1 +ATOM 1435 O O . TYR A 1 197 ? 12.633 -6.181 -51.368 1 91.433 ? 193 TYR A O 1 1 +ATOM 1436 C CB . TYR A 1 197 ? 15.648 -6.246 -52.067 1 110.262 ? 193 TYR A CB 1 1 +ATOM 1437 C CG . TYR A 1 197 ? 16.784 -6.392 -53.081 1 105.426 ? 193 TYR A CG 1 1 +ATOM 1438 C CD1 . TYR A 1 197 ? 17.832 -7.302 -52.888 1 101.896 ? 193 TYR A CD1 1 1 +ATOM 1439 C CD2 . TYR A 1 197 ? 16.812 -5.613 -54.233 1 100.661 ? 193 TYR A CD2 1 1 +ATOM 1440 C CE1 . TYR A 1 197 ? 18.856 -7.447 -53.817 1 98.173 ? 193 TYR A CE1 1 1 +ATOM 1441 C CE2 . TYR A 1 197 ? 17.837 -5.739 -55.161 1 111.363 ? 193 TYR A CE2 1 1 +ATOM 1442 C CZ . TYR A 1 197 ? 18.855 -6.663 -54.957 1 112.674 ? 193 TYR A CZ 1 1 +ATOM 1443 O OH . TYR A 1 197 ? 19.847 -6.8 -55.885 1 127.208 ? 193 TYR A OH 1 1 +ATOM 1444 N N . ILE A 1 198 ? 13.288 -8.013 -50.218 1 85.891 ? 194 ILE A N 1 1 +ATOM 1445 C CA . ILE A 1 198 ? 12.276 -7.929 -49.177 1 87.001 ? 194 ILE A CA 1 1 +ATOM 1446 C C . ILE A 1 198 ? 12.95 -8.076 -47.812 1 84.123 ? 194 ILE A C 1 1 +ATOM 1447 O O . ILE A 1 198 ? 13.663 -9.052 -47.563 1 81.639 ? 194 ILE A O 1 1 +ATOM 1448 C CB . ILE A 1 198 ? 11.209 -9.017 -49.402 1 93 ? 194 ILE A CB 1 1 +ATOM 1449 C CG1 . ILE A 1 198 ? 10.36 -8.724 -50.652 1 89.806 ? 194 ILE A CG1 1 1 +ATOM 1450 C CG2 . ILE A 1 198 ? 10.365 -9.198 -48.145 1 100.911 ? 194 ILE A CG2 1 1 +ATOM 1451 C CD1 . ILE A 1 198 ? 9.212 -9.678 -50.872 1 92.959 ? 194 ILE A CD1 1 1 +ATOM 1452 N N . CYS A 1 199 ? 12.708 -7.12 -46.904 1 87.056 ? 195 CYS A N 1 1 +ATOM 1453 C CA . CYS A 1 199 ? 13.288 -7.2 -45.569 1 91.705 ? 195 CYS A CA 1 1 +ATOM 1454 C C . CYS A 1 199 ? 12.262 -7.787 -44.605 1 89.02 ? 195 CYS A C 1 1 +ATOM 1455 O O . CYS A 1 199 ? 11.11 -7.394 -44.587 1 84.176 ? 195 CYS A O 1 1 +ATOM 1456 C CB . CYS A 1 199 ? 13.839 -5.872 -45.057 1 90.855 ? 195 CYS A CB 1 1 +ATOM 1457 S SG . CYS A 1 199 ? 12.56 -4.659 -44.671 1 103.946 ? 195 CYS A SG 1 1 +ATOM 1458 N N . ASN A 1 200 ? 12.7 -8.774 -43.831 1 95.055 ? 196 ASN A N 1 1 +ATOM 1459 C CA . ASN A 1 200 ? 11.832 -9.495 -42.928 1 98.343 ? 196 ASN A CA 1 1 +ATOM 1460 C C . ASN A 1 200 ? 12.149 -9.019 -41.526 1 95.125 ? 196 ASN A C 1 1 +ATOM 1461 O O . ASN A 1 200 ? 13.262 -9.201 -41.052 1 100.741 ? 196 ASN A O 1 1 +ATOM 1462 C CB . ASN A 1 200 ? 12.021 -10.999 -43.051 1 98.027 ? 196 ASN A CB 1 1 +ATOM 1463 C CG . ASN A 1 200 ? 12.183 -11.384 -44.492 1 109.348 ? 196 ASN A CG 1 1 +ATOM 1464 O OD1 . ASN A 1 200 ? 13.296 -11.342 -45.003 1 114.594 ? 196 ASN A OD1 1 1 +ATOM 1465 N ND2 . ASN A 1 200 ? 11.105 -11.762 -45.153 1 132.916 ? 196 ASN A ND2 1 1 +ATOM 1466 N N . VAL A 1 201 ? 11.153 -8.427 -40.874 1 92.446 ? 197 VAL A N 1 1 +ATOM 1467 C CA . VAL A 1 201 ? 11.354 -7.887 -39.554 1 86.796 ? 197 VAL A CA 1 1 +ATOM 1468 C C . VAL A 1 201 ? 10.454 -8.613 -38.574 1 89.627 ? 197 VAL A C 1 1 +ATOM 1469 O O . VAL A 1 201 ? 9.262 -8.762 -38.801 1 91.12 ? 197 VAL A O 1 1 +ATOM 1470 C CB . VAL A 1 201 ? 11.063 -6.391 -39.587 1 89.511 ? 197 VAL A CB 1 1 +ATOM 1471 C CG1 . VAL A 1 201 ? 10.986 -5.836 -38.169 1 92.661 ? 197 VAL A CG1 1 1 +ATOM 1472 C CG2 . VAL A 1 201 ? 12.098 -5.671 -40.458 1 96.587 ? 197 VAL A CG2 1 1 +ATOM 1473 N N . ASN A 1 202 ? 11.058 -9.061 -37.481 1 85.46 ? 198 ASN A N 1 1 +ATOM 1474 C CA . ASN A 1 202 ? 10.294 -9.653 -36.416 1 87.689 ? 198 ASN A CA 1 1 +ATOM 1475 C C . ASN A 1 202 ? 10.597 -8.876 -35.138 1 82.311 ? 198 ASN A C 1 1 +ATOM 1476 O O . ASN A 1 202 ? 11.748 -8.659 -34.818 1 75.002 ? 198 ASN A O 1 1 +ATOM 1477 C CB . ASN A 1 202 ? 10.592 -11.144 -36.355 1 102.48 ? 198 ASN A CB 1 1 +ATOM 1478 C CG . ASN A 1 202 ? 9.775 -11.842 -35.301 1 136.055 ? 198 ASN A CG 1 1 +ATOM 1479 O OD1 . ASN A 1 202 ? 8.903 -11.216 -34.688 1 171.395 ? 198 ASN A OD1 1 1 +ATOM 1480 N ND2 . ASN A 1 202 ? 10.059 -13.115 -35.061 1 161.218 ? 198 ASN A ND2 1 1 +ATOM 1481 N N . HIS A 1 203 ? 9.549 -8.486 -34.409 1 87.899 ? 199 HIS A N 1 1 +ATOM 1482 C CA . HIS A 1 203 ? 9.691 -8.03 -33.036 1 86.57 ? 199 HIS A CA 1 1 +ATOM 1483 C C . HIS A 1 203 ? 8.915 -8.977 -32.123 1 96.096 ? 199 HIS A C 1 1 +ATOM 1484 O O . HIS A 1 203 ? 7.703 -8.839 -31.954 1 102.866 ? 199 HIS A O 1 1 +ATOM 1485 C CB . HIS A 1 203 ? 9.146 -6.613 -32.89 1 83.822 ? 199 HIS A CB 1 1 +ATOM 1486 C CG . HIS A 1 203 ? 9.458 -5.977 -31.58 1 80.79 ? 199 HIS A CG 1 1 +ATOM 1487 N ND1 . HIS A 1 203 ? 8.496 -5.434 -30.751 1 78.712 ? 199 HIS A ND1 1 1 +ATOM 1488 C CD2 . HIS A 1 203 ? 10.614 -5.828 -30.933 1 85.462 ? 199 HIS A CD2 1 1 +ATOM 1489 C CE1 . HIS A 1 203 ? 9.067 -4.913 -29.667 1 81.082 ? 199 HIS A CE1 1 1 +ATOM 1490 N NE2 . HIS A 1 203 ? 10.361 -5.138 -29.75 1 87.63 ? 199 HIS A NE2 1 1 +ATOM 1491 N N . LYS A 1 204 ? 9.621 -9.937 -31.518 1 95.512 ? 200 LYS A N 1 1 +ATOM 1492 C CA . LYS A 1 204 ? 8.953 -10.944 -30.711 1 90.627 ? 200 LYS A CA 1 1 +ATOM 1493 C C . LYS A 1 204 ? 8.216 -10.293 -29.537 1 81.571 ? 200 LYS A C 1 1 +ATOM 1494 O O . LYS A 1 204 ? 7.103 -10.715 -29.26 1 77.256 ? 200 LYS A O 1 1 +ATOM 1495 C CB . LYS A 1 204 ? 9.874 -12.098 -30.288 1 99.719 ? 200 LYS A CB 1 1 +ATOM 1496 C CG . LYS A 1 204 ? 10.374 -12.902 -31.487 1 124.518 ? 200 LYS A CG 1 1 +ATOM 1497 C CD . LYS A 1 204 ? 11.269 -14.099 -31.182 1 132.948 ? 200 LYS A CD 1 1 +ATOM 1498 C CE . LYS A 1 204 ? 12.167 -14.471 -32.334 1 120.565 ? 200 LYS A CE 1 1 +ATOM 1499 N NZ . LYS A 1 204 ? 13.129 -15.469 -31.873 1 117.775 ? 200 LYS A NZ 1 1 +ATOM 1500 N N . PRO A 1 205 ? 8.771 -9.298 -28.789 1 75.897 ? 201 PRO A N 1 1 +ATOM 1501 C CA . PRO A 1 205 ? 8.07 -8.752 -27.621 1 72.349 ? 201 PRO A CA 1 1 +ATOM 1502 C C . PRO A 1 205 ? 6.669 -8.197 -27.882 1 83.216 ? 201 PRO A C 1 1 +ATOM 1503 O O . PRO A 1 205 ? 5.858 -8.09 -26.959 1 96.756 ? 201 PRO A O 1 1 +ATOM 1504 C CB . PRO A 1 205 ? 9.02 -7.686 -27.041 1 73.364 ? 201 PRO A CB 1 1 +ATOM 1505 C CG . PRO A 1 205 ? 10.404 -8.043 -27.575 1 75.131 ? 201 PRO A CG 1 1 +ATOM 1506 C CD . PRO A 1 205 ? 10.129 -8.731 -28.933 1 79.53 ? 201 PRO A CD 1 1 +ATOM 1507 N N . SER A 1 206 ? 6.357 -7.872 -29.14 1 82.107 ? 202 SER A N 1 1 +ATOM 1508 C CA . SER A 1 206 ? 5.029 -7.391 -29.493 1 84.958 ? 202 SER A CA 1 1 +ATOM 1509 C C . SER A 1 206 ? 4.348 -8.264 -30.542 1 84.11 ? 202 SER A C 1 1 +ATOM 1510 O O . SER A 1 206 ? 3.302 -7.894 -31.049 1 81.036 ? 202 SER A O 1 1 +ATOM 1511 C CB . SER A 1 206 ? 5.129 -5.986 -29.996 1 96.247 ? 202 SER A CB 1 1 +ATOM 1512 O OG . SER A 1 206 ? 5.988 -5.912 -31.127 1 91.548 ? 202 SER A OG 1 1 +ATOM 1513 N N . ASN A 1 207 ? 4.946 -9.418 -30.859 1 89.265 ? 203 ASN A N 1 1 +ATOM 1514 C CA . ASN A 1 207 ? 4.482 -10.342 -31.894 1 94.912 ? 203 ASN A CA 1 1 +ATOM 1515 C C . ASN A 1 207 ? 4.212 -9.591 -33.199 1 96.226 ? 203 ASN A C 1 1 +ATOM 1516 O O . ASN A 1 207 ? 3.103 -9.671 -33.743 1 97.796 ? 203 ASN A O 1 1 +ATOM 1517 C CB . ASN A 1 207 ? 3.277 -11.181 -31.473 1 100.887 ? 203 ASN A CB 1 1 +ATOM 1518 C CG . ASN A 1 207 ? 3.547 -12.11 -30.312 1 108.2 ? 203 ASN A CG 1 1 +ATOM 1519 O OD1 . ASN A 1 207 ? 4.696 -12.41 -29.977 1 100.98 ? 203 ASN A OD1 1 1 +ATOM 1520 N ND2 . ASN A 1 207 ? 2.485 -12.58 -29.682 1 130.742 ? 203 ASN A ND2 1 1 +ATOM 1521 N N . THR A 1 208 ? 5.257 -8.913 -33.71 1 92.286 ? 204 THR A N 1 1 +ATOM 1522 C CA . THR A 1 208 ? 5.179 -8.156 -34.948 1 97.631 ? 204 THR A CA 1 1 +ATOM 1523 C C . THR A 1 208 ? 6.04 -8.847 -35.989 1 96.275 ? 204 THR A C 1 1 +ATOM 1524 O O . THR A 1 208 ? 7.225 -9.032 -35.773 1 91.809 ? 204 THR A O 1 1 +ATOM 1525 C CB . THR A 1 208 ? 5.694 -6.734 -34.748 1 102.289 ? 204 THR A CB 1 1 +ATOM 1526 O OG1 . THR A 1 208 ? 5.076 -6.186 -33.589 1 102.179 ? 204 THR A OG1 1 1 +ATOM 1527 C CG2 . THR A 1 208 ? 5.405 -5.862 -35.959 1 108.741 ? 204 THR A CG2 1 1 +ATOM 1528 N N . LYS A 1 209 ? 5.445 -9.192 -37.128 1 101.639 ? 205 LYS A N 1 1 +ATOM 1529 C CA . LYS A 1 209 ? 6.207 -9.775 -38.213 1 106.331 ? 205 LYS A CA 1 1 +ATOM 1530 C C . LYS A 1 209 ? 5.8 -9.03 -39.472 1 96.975 ? 205 LYS A C 1 1 +ATOM 1531 O O . LYS A 1 209 ? 4.685 -9.21 -39.945 1 109.412 ? 205 LYS A O 1 1 +ATOM 1532 C CB . LYS A 1 209 ? 5.962 -11.288 -38.333 1 125.584 ? 205 LYS A CB 1 1 +ATOM 1533 C CG . LYS A 1 209 ? 7.216 -12.109 -38.585 1 141.805 ? 205 LYS A CG 1 1 +ATOM 1534 C CD . LYS A 1 209 ? 7.002 -13.575 -38.965 1 144.836 ? 205 LYS A CD 1 1 +ATOM 1535 C CE . LYS A 1 209 ? 6.801 -13.762 -40.433 1 133.184 ? 205 LYS A CE 1 1 +ATOM 1536 N NZ . LYS A 1 209 ? 6.982 -15.151 -40.886 1 125.33 ? 205 LYS A NZ 1 1 +ATOM 1537 N N . VAL A 1 210 ? 6.695 -8.183 -39.982 1 84.503 ? 206 VAL A N 1 1 +ATOM 1538 C CA . VAL A 1 210 ? 6.445 -7.462 -41.22 1 89.92 ? 206 VAL A CA 1 1 +ATOM 1539 C C . VAL A 1 210 ? 7.434 -7.925 -42.29 1 93.329 ? 206 VAL A C 1 1 +ATOM 1540 O O . VAL A 1 210 ? 8.616 -8.111 -42.013 1 84.614 ? 206 VAL A O 1 1 +ATOM 1541 C CB . VAL A 1 210 ? 6.581 -5.954 -40.969 1 93.159 ? 206 VAL A CB 1 1 +ATOM 1542 C CG1 . VAL A 1 210 ? 6.328 -5.135 -42.227 1 99.959 ? 206 VAL A CG1 1 1 +ATOM 1543 C CG2 . VAL A 1 210 ? 5.689 -5.502 -39.818 1 99.402 ? 206 VAL A CG2 1 1 +ATOM 1544 N N . ASP A 1 211 ? 6.934 -8.111 -43.517 1 98.957 ? 207 ASP A N 1 1 +ATOM 1545 C CA . ASP A 1 211 ? 7.77 -8.427 -44.664 1 100.545 ? 207 ASP A CA 1 1 +ATOM 1546 C C . ASP A 1 211 ? 7.569 -7.275 -45.638 1 98.417 ? 207 ASP A C 1 1 +ATOM 1547 O O . ASP A 1 211 ? 6.525 -7.187 -46.269 1 113.57 ? 207 ASP A O 1 1 +ATOM 1548 C CB . ASP A 1 211 ? 7.418 -9.767 -45.31 1 104.569 ? 207 ASP A CB 1 1 +ATOM 1549 C CG . ASP A 1 211 ? 7.829 -11.053 -44.594 1 103.596 ? 207 ASP A CG 1 1 +ATOM 1550 O OD1 . ASP A 1 211 ? 8.695 -10.985 -43.688 1 94.054 ? 207 ASP A OD1 1 1 +ATOM 1551 O OD2 . ASP A 1 211 ? 7.278 -12.135 -44.964 1 103.611 ? 207 ASP A OD2 1 1 +ATOM 1552 N N . LYS A 1 212 ? 8.543 -6.368 -45.718 1 95.036 ? 208 LYS A N 1 1 +ATOM 1553 C CA . LYS A 1 212 ? 8.418 -5.186 -46.554 1 102.455 ? 208 LYS A CA 1 1 +ATOM 1554 C C . LYS A 1 212 ? 9.248 -5.343 -47.828 1 104.204 ? 208 LYS A C 1 1 +ATOM 1555 O O . LYS A 1 212 ? 10.463 -5.562 -47.758 1 107.86 ? 208 LYS A O 1 1 +ATOM 1556 C CB . LYS A 1 212 ? 8.862 -3.945 -45.771 1 112.83 ? 208 LYS A CB 1 1 +ATOM 1557 C CG . LYS A 1 212 ? 8.284 -2.633 -46.305 1 121.019 ? 208 LYS A CG 1 1 +ATOM 1558 C CD . LYS A 1 212 ? 6.773 -2.412 -46.202 1 122.569 ? 208 LYS A CD 1 1 +ATOM 1559 C CE . LYS A 1 212 ? 6.324 -1.62 -47.41 1 135.072 ? 208 LYS A CE 1 1 +ATOM 1560 N NZ . LYS A 1 212 ? 4.904 -1.713 -47.762 1 143.945 ? 208 LYS A NZ 1 1 +ATOM 1561 N N . ARG A 1 213 ? 8.564 -5.187 -48.974 1 107.601 ? 209 ARG A N 1 1 +ATOM 1562 C CA . ARG A 1 213 ? 9.158 -5.245 -50.304 1 107.914 ? 209 ARG A CA 1 1 +ATOM 1563 C C . ARG A 1 213 ? 9.688 -3.862 -50.658 1 94.672 ? 209 ARG A C 1 1 +ATOM 1564 O O . ARG A 1 213 ? 8.916 -2.912 -50.706 1 95.887 ? 209 ARG A O 1 1 +ATOM 1565 C CB . ARG A 1 213 ? 8.121 -5.695 -51.347 1 119.19 ? 209 ARG A CB 1 1 +ATOM 1566 C CG . ARG A 1 213 ? 8.575 -5.744 -52.803 1 121.297 ? 209 ARG A CG 1 1 +ATOM 1567 C CD . ARG A 1 213 ? 7.438 -5.591 -53.822 1 124.796 ? 209 ARG A CD 1 1 +ATOM 1568 N NE . ARG A 1 213 ? 7.945 -5.535 -55.199 1 133.2 ? 209 ARG A NE 1 1 +ATOM 1569 C CZ . ARG A 1 213 ? 7.24 -5.47 -56.341 1 146.246 ? 209 ARG A CZ 1 1 +ATOM 1570 N NH1 . ARG A 1 213 ? 5.916 -5.428 -56.355 1 140.995 ? 209 ARG A NH1 1 1 +ATOM 1571 N NH2 . ARG A 1 213 ? 7.875 -5.446 -57.503 1 150.67 ? 209 ARG A NH2 1 1 +ATOM 1572 N N . VAL A 1 214 ? 10.99 -3.77 -50.949 1 89.271 ? 210 VAL A N 1 1 +ATOM 1573 C CA . VAL A 1 214 ? 11.609 -2.503 -51.3 1 89.165 ? 210 VAL A CA 1 1 +ATOM 1574 C C . VAL A 1 214 ? 11.636 -2.345 -52.823 1 94.999 ? 210 VAL A C 1 1 +ATOM 1575 O O . VAL A 1 214 ? 12.371 -3.05 -53.505 1 92.424 ? 210 VAL A O 1 1 +ATOM 1576 C CB . VAL A 1 214 ? 13.016 -2.347 -50.693 1 78.4 ? 210 VAL A CB 1 1 +ATOM 1577 C CG1 . VAL A 1 214 ? 13.534 -0.919 -50.889 1 86.035 ? 210 VAL A CG1 1 1 +ATOM 1578 C CG2 . VAL A 1 214 ? 13.034 -2.705 -49.219 1 71.546 ? 210 VAL A CG2 1 1 +ATOM 1579 N N . GLU A 1 215 ? 10.854 -1.384 -53.334 1 104.876 ? 211 GLU A N 1 1 +ATOM 1580 C CA . GLU A 1 215 ? 10.828 -1.076 -54.754 1 120.242 ? 211 GLU A CA 1 1 +ATOM 1581 C C . GLU A 1 215 ? 11.704 0.155 -55.016 1 126.844 ? 211 GLU A C 1 1 +ATOM 1582 O O . GLU A 1 215 ? 11.659 1.13 -54.265 1 123.126 ? 211 GLU A O 1 1 +ATOM 1583 C CB . GLU A 1 215 ? 9.399 -0.9 -55.28 1 136.392 ? 211 GLU A CB 1 1 +ATOM 1584 C CG . GLU A 1 215 ? 8.669 -2.218 -55.536 1 141.044 ? 211 GLU A CG 1 1 +ATOM 1585 C CD . GLU A 1 215 ? 7.372 -2.112 -56.341 1 154.925 ? 211 GLU A CD 1 1 +ATOM 1586 O OE1 . GLU A 1 215 ? 6.292 -2.233 -55.729 1 172.953 ? 211 GLU A OE1 1 1 +ATOM 1587 O OE2 . GLU A 1 215 ? 7.407 -1.945 -57.58 1 143.839 ? 211 GLU A OE2 1 1 +ATOM 1588 N N . PRO A 1 216 ? 12.522 0.144 -56.098 1 130.436 ? 212 PRO A N 1 1 +ATOM 1589 C CA . PRO A 1 216 ? 13.345 1.302 -56.464 1 128.336 ? 212 PRO A CA 1 1 +ATOM 1590 C C . PRO A 1 216 ? 12.499 2.495 -56.895 1 122.935 ? 212 PRO A C 1 1 +ATOM 1591 O O . PRO A 1 216 ? 11.453 2.268 -57.473 1 124.405 ? 212 PRO A O 1 1 +ATOM 1592 C CB . PRO A 1 216 ? 14.206 0.77 -57.639 1 131.627 ? 212 PRO A CB 1 1 +ATOM 1593 C CG . PRO A 1 216 ? 14.082 -0.738 -57.591 1 129.998 ? 212 PRO A CG 1 1 +ATOM 1594 C CD . PRO A 1 216 ? 12.707 -0.994 -57.021 1 129.451 ? 212 PRO A CD 1 1 +ATOM 1595 N N . LYS A 1 217 ? 12.933 3.745 -56.628 1 123.836 ? 213 LYS A N 1 1 +ATOM 1596 C CA . LYS A 1 217 ? 12.145 4.927 -56.999 1 121.874 ? 213 LYS A CA 1 1 +ATOM 1597 C C . LYS A 1 217 ? 12.599 5.586 -58.323 1 108.222 ? 213 LYS A C 1 1 +ATOM 1598 O O . LYS A 1 217 ? 13.677 5.228 -58.826 1 94.626 ? 213 LYS A O 1 1 +ATOM 1599 C CB . LYS A 1 217 ? 12.058 5.952 -55.86 1 121.084 ? 213 LYS A CB 1 1 +ATOM 1600 C CG . LYS A 1 217 ? 10.856 5.677 -54.942 1 124.557 ? 213 LYS A CG 1 1 +ATOM 1601 C CD . LYS A 1 217 ? 10.287 6.835 -54.131 1 120.004 ? 213 LYS A CD 1 1 +ATOM 1602 C CE . LYS A 1 217 ? 9.062 6.368 -53.423 1 117.384 ? 213 LYS A CE 1 1 +ATOM 1603 N NZ . LYS A 1 217 ? 8.488 7.438 -52.618 1 116.328 ? 213 LYS A NZ 1 1 +ATOM 1604 N N . ASP B 2 1 ? 35.457 -5.826 -3.964 1 86.791 ? 1 ASP B N 1 2 +ATOM 1605 C CA . ASP B 2 1 ? 36.358 -4.656 -3.882 1 82.76 ? 1 ASP B CA 1 2 +ATOM 1606 C C . ASP B 2 1 ? 37.788 -4.945 -4.371 1 95.565 ? 1 ASP B C 1 2 +ATOM 1607 O O . ASP B 2 1 ? 38.631 -4.08 -4.166 1 108.271 ? 1 ASP B O 1 2 +ATOM 1608 C CB . ASP B 2 1 ? 36.349 -4.063 -2.487 1 74.073 ? 1 ASP B CB 1 2 +ATOM 1609 C CG . ASP B 2 1 ? 37.115 -2.761 -2.471 1 73.318 ? 1 ASP B CG 1 2 +ATOM 1610 O OD1 . ASP B 2 1 ? 36.721 -1.829 -3.251 1 61.675 ? 1 ASP B OD1 1 2 +ATOM 1611 O OD2 . ASP B 2 1 ? 38.139 -2.761 -1.763 1 79.281 ? 1 ASP B OD2 1 2 +ATOM 1612 N N . ILE B 2 2 ? 38.096 -6.076 -5.05 1 96.313 ? 2 ILE B N 1 2 +ATOM 1613 C CA . ILE B 2 2 ? 39.313 -6.137 -5.868 1 90.566 ? 2 ILE B CA 1 2 +ATOM 1614 C C . ILE B 2 2 ? 38.988 -5.547 -7.238 1 87.372 ? 2 ILE B C 1 2 +ATOM 1615 O O . ILE B 2 2 ? 38.131 -6.077 -7.937 1 89.176 ? 2 ILE B O 1 2 +ATOM 1616 C CB . ILE B 2 2 ? 39.904 -7.548 -6.063 1 83.636 ? 2 ILE B CB 1 2 +ATOM 1617 C CG1 . ILE B 2 2 ? 40.203 -8.229 -4.768 1 90.519 ? 2 ILE B CG1 1 2 +ATOM 1618 C CG2 . ILE B 2 2 ? 41.164 -7.509 -6.94 1 76.397 ? 2 ILE B CG2 1 2 +ATOM 1619 C CD1 . ILE B 2 2 ? 40.797 -9.621 -4.951 1 97.293 ? 2 ILE B CD1 1 2 +ATOM 1620 N N . VAL B 2 3 ? 39.692 -4.475 -7.622 1 82.791 ? 3 VAL B N 1 2 +ATOM 1621 C CA . VAL B 2 3 ? 39.369 -3.749 -8.84 1 83.304 ? 3 VAL B CA 1 2 +ATOM 1622 C C . VAL B 2 3 ? 40.348 -4.114 -9.951 1 89.185 ? 3 VAL B C 1 2 +ATOM 1623 O O . VAL B 2 3 ? 41.555 -4.131 -9.742 1 98.005 ? 3 VAL B O 1 2 +ATOM 1624 C CB . VAL B 2 3 ? 39.359 -2.236 -8.58 1 76.863 ? 3 VAL B CB 1 2 +ATOM 1625 C CG1 . VAL B 2 3 ? 39.119 -1.427 -9.854 1 74.818 ? 3 VAL B CG1 1 2 +ATOM 1626 C CG2 . VAL B 2 3 ? 38.325 -1.905 -7.513 1 77.882 ? 3 VAL B CG2 1 2 +ATOM 1627 N N . MET B 2 4 ? 39.807 -4.367 -11.147 1 85.68 ? 4 MET B N 1 2 +ATOM 1628 C CA . MET B 2 4 ? 40.611 -4.725 -12.304 1 84.002 ? 4 MET B CA 1 2 +ATOM 1629 C C . MET B 2 4 ? 40.597 -3.569 -13.308 1 81.025 ? 4 MET B C 1 2 +ATOM 1630 O O . MET B 2 4 ? 39.52 -3.109 -13.695 1 86.695 ? 4 MET B O 1 2 +ATOM 1631 C CB . MET B 2 4 ? 40.056 -6.002 -12.96 1 83.771 ? 4 MET B CB 1 2 +ATOM 1632 C CG . MET B 2 4 ? 39.713 -7.139 -12.011 1 75.581 ? 4 MET B CG 1 2 +ATOM 1633 S SD . MET B 2 4 ? 41.137 -7.588 -11.013 0.84 83.513 ? 4 MET B SD 1 2 +ATOM 1634 C CE . MET B 2 4 ? 42.26 -8.214 -12.272 1 92.928 ? 4 MET B CE 1 2 +ATOM 1635 N N . THR B 2 5 ? 41.79 -3.107 -13.723 1 78.619 ? 5 THR B N 1 2 +ATOM 1636 C CA . THR B 2 5 ? 41.917 -2.005 -14.664 1 79.019 ? 5 THR B CA 1 2 +ATOM 1637 C C . THR B 2 5 ? 42.73 -2.446 -15.878 1 78.287 ? 5 THR B C 1 2 +ATOM 1638 O O . THR B 2 5 ? 43.915 -2.743 -15.746 1 75.706 ? 5 THR B O 1 2 +ATOM 1639 C CB . THR B 2 5 ? 42.586 -0.794 -14.016 1 79.265 ? 5 THR B CB 1 2 +ATOM 1640 O OG1 . THR B 2 5 ? 41.867 -0.502 -12.828 1 85.44 ? 5 THR B OG1 1 2 +ATOM 1641 C CG2 . THR B 2 5 ? 42.518 0.435 -14.908 1 82.813 ? 5 THR B CG2 1 2 +ATOM 1642 N N . GLN B 2 6 ? 42.118 -2.4 -17.07 1 73.293 ? 6 GLN B N 1 2 +ATOM 1643 C CA . GLN B 2 6 ? 42.811 -2.795 -18.285 1 74.436 ? 6 GLN B CA 1 2 +ATOM 1644 C C . GLN B 2 6 ? 43.361 -1.576 -19.009 1 73.437 ? 6 GLN B C 1 2 +ATOM 1645 O O . GLN B 2 6 ? 42.862 -0.492 -18.79 1 83.04 ? 6 GLN B O 1 2 +ATOM 1646 C CB . GLN B 2 6 ? 41.881 -3.572 -19.207 1 76.628 ? 6 GLN B CB 1 2 +ATOM 1647 C CG . GLN B 2 6 ? 41.641 -5.006 -18.754 1 76.167 ? 6 GLN B CG 1 2 +ATOM 1648 C CD . GLN B 2 6 ? 40.613 -5.687 -19.622 1 77.416 ? 6 GLN B CD 1 2 +ATOM 1649 O OE1 . GLN B 2 6 ? 39.591 -6.176 -19.14 1 81.864 ? 6 GLN B OE1 1 2 +ATOM 1650 N NE2 . GLN B 2 6 ? 40.868 -5.724 -20.92 1 77.683 ? 6 GLN B NE2 1 2 +ATOM 1651 N N . SER B 2 7 ? 44.371 -1.764 -19.874 1 81.057 ? 7 SER B N 1 2 +ATOM 1652 C CA . SER B 2 7 ? 44.857 -0.707 -20.756 1 85.246 ? 7 SER B CA 1 2 +ATOM 1653 C C . SER B 2 7 ? 45.538 -1.325 -21.979 1 82.538 ? 7 SER B C 1 2 +ATOM 1654 O O . SER B 2 7 ? 46.251 -2.325 -21.856 1 79.251 ? 7 SER B O 1 2 +ATOM 1655 C CB . SER B 2 7 ? 45.802 0.255 -20.049 1 95.199 ? 7 SER B CB 1 2 +ATOM 1656 O OG . SER B 2 7 ? 47.033 -0.38 -19.72 1 107.288 ? 7 SER B OG 1 2 +ATOM 1657 N N . PRO B 2 8 ? 45.366 -0.763 -23.201 1 80.64 ? 8 PRO B N 1 2 +ATOM 1658 C CA . PRO B 2 8 ? 44.474 0.376 -23.448 1 80.3 ? 8 PRO B CA 1 2 +ATOM 1659 C C . PRO B 2 8 ? 42.99 0.05 -23.464 1 79.777 ? 8 PRO B C 1 2 +ATOM 1660 O O . PRO B 2 8 ? 42.638 -1.115 -23.374 1 79.624 ? 8 PRO B O 1 2 +ATOM 1661 C CB . PRO B 2 8 ? 44.972 0.817 -24.833 1 78.15 ? 8 PRO B CB 1 2 +ATOM 1662 C CG . PRO B 2 8 ? 45.35 -0.457 -25.5 1 74.914 ? 8 PRO B CG 1 2 +ATOM 1663 C CD . PRO B 2 8 ? 46.097 -1.176 -24.407 1 77.091 ? 8 PRO B CD 1 2 +ATOM 1664 N N . ASP B 2 9 ? 42.137 1.081 -23.577 1 86.026 ? 9 ASP B N 1 2 +ATOM 1665 C CA . ASP B 2 9 ? 40.708 0.882 -23.763 1 89.064 ? 9 ASP B CA 1 2 +ATOM 1666 C C . ASP B 2 9 ? 40.435 0.297 -25.148 1 89.663 ? 9 ASP B C 1 2 +ATOM 1667 O O . ASP B 2 9 ? 39.492 -0.469 -25.309 1 90.981 ? 9 ASP B O 1 2 +ATOM 1668 C CB . ASP B 2 9 ? 39.885 2.142 -23.51 1 95.069 ? 9 ASP B CB 1 2 +ATOM 1669 C CG . ASP B 2 9 ? 39.561 2.417 -22.046 1 109.379 ? 9 ASP B CG 1 2 +ATOM 1670 O OD1 . ASP B 2 9 ? 40.356 1.973 -21.19 1 115.212 ? 9 ASP B OD1 1 2 +ATOM 1671 O OD2 . ASP B 2 9 ? 38.497 3.033 -21.758 1 121.511 ? 9 ASP B OD2 1 2 +ATOM 1672 N N . SER B 2 10 ? 41.244 0.677 -26.143 1 90.436 ? 10 SER B N 1 2 +ATOM 1673 C CA . SER B 2 10 ? 41.08 0.257 -27.528 1 92.285 ? 10 SER B CA 1 2 +ATOM 1674 C C . SER B 2 10 ? 42.464 0.119 -28.157 1 88.162 ? 10 SER B C 1 2 +ATOM 1675 O O . SER B 2 10 ? 43.361 0.874 -27.822 1 109.459 ? 10 SER B O 1 2 +ATOM 1676 C CB . SER B 2 10 ? 40.214 1.237 -28.326 1 97.528 ? 10 SER B CB 1 2 +ATOM 1677 O OG . SER B 2 10 ? 39.901 0.726 -29.618 1 108.658 ? 10 SER B OG 1 2 +ATOM 1678 N N . LEU B 2 11 ? 42.618 -0.808 -29.106 1 83.107 ? 11 LEU B N 1 2 +ATOM 1679 C CA . LEU B 2 11 ? 43.913 -1.166 -29.666 1 79.962 ? 11 LEU B CA 1 2 +ATOM 1680 C C . LEU B 2 11 ? 43.722 -1.632 -31.108 1 85.062 ? 11 LEU B C 1 2 +ATOM 1681 O O . LEU B 2 11 ? 42.99 -2.582 -31.363 1 100.536 ? 11 LEU B O 1 2 +ATOM 1682 C CB . LEU B 2 11 ? 44.459 -2.28 -28.771 1 83.389 ? 11 LEU B CB 1 2 +ATOM 1683 C CG . LEU B 2 11 ? 45.771 -2.943 -29.188 1 94.344 ? 11 LEU B CG 1 2 +ATOM 1684 C CD1 . LEU B 2 11 ? 46.914 -1.939 -29.202 1 103.766 ? 11 LEU B CD1 1 2 +ATOM 1685 C CD2 . LEU B 2 11 ? 46.045 -4.117 -28.262 1 98.855 ? 11 LEU B CD2 1 2 +ATOM 1686 N N . ALA B 2 12 ? 44.391 -0.983 -32.068 1 89.795 ? 12 ALA B N 1 2 +ATOM 1687 C CA . ALA B 2 12 ? 44.313 -1.41 -33.462 1 96.318 ? 12 ALA B CA 1 2 +ATOM 1688 C C . ALA B 2 12 ? 45.684 -1.881 -33.93 1 95.673 ? 12 ALA B C 1 2 +ATOM 1689 O O . ALA B 2 12 ? 46.66 -1.132 -33.883 1 99.259 ? 12 ALA B O 1 2 +ATOM 1690 C CB . ALA B 2 12 ? 43.792 -0.316 -34.37 1 112.238 ? 12 ALA B CB 1 2 +ATOM 1691 N N . VAL B 2 13 ? 45.746 -3.143 -34.365 1 93.262 ? 13 VAL B N 1 2 +ATOM 1692 C CA . VAL B 2 13 ? 46.997 -3.747 -34.785 1 93.284 ? 13 VAL B CA 1 2 +ATOM 1693 C C . VAL B 2 13 ? 46.808 -4.399 -36.15 1 86.364 ? 13 VAL B C 1 2 +ATOM 1694 O O . VAL B 2 13 ? 45.752 -4.948 -36.426 1 77.907 ? 13 VAL B O 1 2 +ATOM 1695 C CB . VAL B 2 13 ? 47.422 -4.767 -33.72 1 102.713 ? 13 VAL B CB 1 2 +ATOM 1696 C CG1 . VAL B 2 13 ? 48.624 -5.558 -34.198 1 102.99 ? 13 VAL B CG1 1 2 +ATOM 1697 C CG2 . VAL B 2 13 ? 47.657 -4.112 -32.36 1 118.513 ? 13 VAL B CG2 1 2 +ATOM 1698 N N . SER B 2 14 ? 47.847 -4.334 -36.99 1 90.471 ? 14 SER B N 1 2 +ATOM 1699 C CA . SER B 2 14 ? 47.815 -4.896 -38.333 1 88.641 ? 14 SER B CA 1 2 +ATOM 1700 C C . SER B 2 14 ? 47.716 -6.424 -38.289 1 85.293 ? 14 SER B C 1 2 +ATOM 1701 O O . SER B 2 14 ? 48.129 -7.046 -37.303 1 88.297 ? 14 SER B O 1 2 +ATOM 1702 C CB . SER B 2 14 ? 49.044 -4.439 -39.104 1 97.409 ? 14 SER B CB 1 2 +ATOM 1703 O OG . SER B 2 14 ? 48.935 -3.064 -39.472 1 98.106 ? 14 SER B OG 1 2 +ATOM 1704 N N . LEU B 2 15 ? 47.219 -7.029 -39.385 1 83.611 ? 15 LEU B N 1 2 +ATOM 1705 C CA . LEU B 2 15 ? 47.153 -8.482 -39.525 1 80.035 ? 15 LEU B CA 1 2 +ATOM 1706 C C . LEU B 2 15 ? 48.528 -9.091 -39.343 1 81.106 ? 15 LEU B C 1 2 +ATOM 1707 O O . LEU B 2 15 ? 49.455 -8.709 -40.049 1 84.388 ? 15 LEU B O 1 2 +ATOM 1708 C CB . LEU B 2 15 ? 46.654 -8.938 -40.892 1 79.898 ? 15 LEU B CB 1 2 +ATOM 1709 C CG . LEU B 2 15 ? 45.149 -9.144 -41.03 1 90.977 ? 15 LEU B CG 1 2 +ATOM 1710 C CD1 . LEU B 2 15 ? 44.915 -9.645 -42.456 1 99.537 ? 15 LEU B CD1 1 2 +ATOM 1711 C CD2 . LEU B 2 15 ? 44.603 -10.129 -40.002 1 93.576 ? 15 LEU B CD2 1 2 +ATOM 1712 N N . GLY B 2 16 ? 48.617 -10.083 -38.455 1 87.388 ? 16 GLY B N 1 2 +ATOM 1713 C CA . GLY B 2 16 ? 49.842 -10.848 -38.291 1 95.978 ? 16 GLY B CA 1 2 +ATOM 1714 C C . GLY B 2 16 ? 50.786 -10.237 -37.259 1 88.812 ? 16 GLY B C 1 2 +ATOM 1715 O O . GLY B 2 16 ? 51.77 -10.86 -36.884 1 96.065 ? 16 GLY B O 1 2 +ATOM 1716 N N . GLU B 2 17 ? 50.487 -9.015 -36.808 1 89.97 ? 17 GLU B N 1 2 +ATOM 1717 C CA . GLU B 2 17 ? 51.366 -8.303 -35.893 1 96.321 ? 17 GLU B CA 1 2 +ATOM 1718 C C . GLU B 2 17 ? 50.909 -8.56 -34.453 1 85.654 ? 17 GLU B C 1 2 +ATOM 1719 O O . GLU B 2 17 ? 49.84 -9.137 -34.197 1 66.873 ? 17 GLU B O 1 2 +ATOM 1720 C CB . GLU B 2 17 ? 51.472 -6.833 -36.321 1 103.174 ? 17 GLU B CB 1 2 +ATOM 1721 C CG . GLU B 2 17 ? 52.29 -6.629 -37.604 1 111.549 ? 17 GLU B CG 1 2 +ATOM 1722 C CD . GLU B 2 17 ? 53.706 -7.261 -37.646 1 126.661 ? 17 GLU B CD 1 2 +ATOM 1723 O OE1 . GLU B 2 17 ? 54.188 -7.757 -38.695 1 113.122 ? 17 GLU B OE1 1 2 +ATOM 1724 O OE2 . GLU B 2 17 ? 54.376 -7.295 -36.588 1 145.765 ? 17 GLU B OE2 1 2 +ATOM 1725 N N . ARG B 2 18 ? 51.755 -8.119 -33.506 1 86.809 ? 18 ARG B N 1 2 +ATOM 1726 C CA . ARG B 2 18 ? 51.577 -8.46 -32.098 1 87.402 ? 18 ARG B CA 1 2 +ATOM 1727 C C . ARG B 2 18 ? 50.655 -7.472 -31.392 1 74.679 ? 18 ARG B C 1 2 +ATOM 1728 O O . ARG B 2 18 ? 50.878 -6.278 -31.506 1 84.395 ? 18 ARG B O 1 2 +ATOM 1729 C CB . ARG B 2 18 ? 52.939 -8.455 -31.395 1 95.171 ? 18 ARG B CB 1 2 +ATOM 1730 C CG . ARG B 2 18 ? 52.958 -8.791 -29.905 1 99.465 ? 18 ARG B CG 1 2 +ATOM 1731 C CD . ARG B 2 18 ? 54.095 -8.087 -29.191 1 111.738 ? 18 ARG B CD 1 2 +ATOM 1732 N NE . ARG B 2 18 ? 53.809 -6.653 -29.007 1 120.82 ? 18 ARG B NE 1 2 +ATOM 1733 C CZ . ARG B 2 18 ? 54.346 -5.611 -29.66 1 122.372 ? 18 ARG B CZ 1 2 +ATOM 1734 N NH1 . ARG B 2 18 ? 53.909 -4.394 -29.364 1 121.56 ? 18 ARG B NH1 1 2 +ATOM 1735 N NH2 . ARG B 2 18 ? 55.281 -5.785 -30.596 1 119.447 ? 18 ARG B NH2 1 2 +ATOM 1736 N N . ALA B 2 19 ? 49.677 -7.992 -30.629 1 67.334 ? 19 ALA B N 1 2 +ATOM 1737 C CA . ALA B 2 19 ? 48.786 -7.218 -29.769 1 67.164 ? 19 ALA B CA 1 2 +ATOM 1738 C C . ALA B 2 19 ? 49.068 -7.535 -28.307 1 69.383 ? 19 ALA B C 1 2 +ATOM 1739 O O . ALA B 2 19 ? 49.318 -8.677 -27.953 1 71.877 ? 19 ALA B O 1 2 +ATOM 1740 C CB . ALA B 2 19 ? 47.327 -7.51 -30.059 1 67.456 ? 19 ALA B CB 1 2 +ATOM 1741 N N . THR B 2 20 ? 48.987 -6.513 -27.448 1 76.422 ? 20 THR B N 1 2 +ATOM 1742 C CA . THR B 2 20 ? 49.329 -6.617 -26.033 1 75.139 ? 20 THR B CA 1 2 +ATOM 1743 C C . THR B 2 20 ? 48.272 -5.867 -25.23 1 75.712 ? 20 THR B C 1 2 +ATOM 1744 O O . THR B 2 20 ? 48.042 -4.688 -25.476 1 104.737 ? 20 THR B O 1 2 +ATOM 1745 C CB . THR B 2 20 ? 50.731 -6.054 -25.766 1 72.189 ? 20 THR B CB 1 2 +ATOM 1746 O OG1 . THR B 2 20 ? 51.642 -6.915 -26.455 1 73.637 ? 20 THR B OG1 1 2 +ATOM 1747 C CG2 . THR B 2 20 ? 51.042 -5.917 -24.279 1 69.315 ? 20 THR B CG2 1 2 +ATOM 1748 N N . ILE B 2 21 ? 47.655 -6.549 -24.26 1 80.115 ? 21 ILE B N 1 2 +ATOM 1749 C CA . ILE B 2 21 ? 46.658 -5.957 -23.379 1 87.034 ? 21 ILE B CA 1 2 +ATOM 1750 C C . ILE B 2 21 ? 47.119 -6.133 -21.933 1 82.061 ? 21 ILE B C 1 2 +ATOM 1751 O O . ILE B 2 21 ? 47.476 -7.243 -21.545 1 70.75 ? 21 ILE B O 1 2 +ATOM 1752 C CB . ILE B 2 21 ? 45.261 -6.577 -23.608 1 92.369 ? 21 ILE B CB 1 2 +ATOM 1753 C CG1 . ILE B 2 21 ? 44.821 -6.452 -25.067 1 97.062 ? 21 ILE B CG1 1 2 +ATOM 1754 C CG2 . ILE B 2 21 ? 44.231 -5.965 -22.66 1 89.215 ? 21 ILE B CG2 1 2 +ATOM 1755 C CD1 . ILE B 2 21 ? 43.656 -7.339 -25.445 1 103.394 ? 21 ILE B CD1 1 2 +ATOM 1756 N N . ASN B 2 22 ? 47.067 -5.041 -21.147 1 87.181 ? 22 ASN B N 1 2 +ATOM 1757 C CA . ASN B 2 22 ? 47.486 -5.07 -19.754 1 89.467 ? 22 ASN B CA 1 2 +ATOM 1758 C C . ASN B 2 22 ? 46.257 -5.084 -18.857 1 86.156 ? 22 ASN B C 1 2 +ATOM 1759 O O . ASN B 2 22 ? 45.215 -4.55 -19.234 1 81.064 ? 22 ASN B O 1 2 +ATOM 1760 C CB . ASN B 2 22 ? 48.426 -3.923 -19.416 1 92.858 ? 22 ASN B CB 1 2 +ATOM 1761 C CG . ASN B 2 22 ? 49.66 -3.969 -20.288 1 100.152 ? 22 ASN B CG 1 2 +ATOM 1762 O OD1 . ASN B 2 22 ? 50.421 -4.947 -20.269 1 106.477 ? 22 ASN B OD1 1 2 +ATOM 1763 N ND2 . ASN B 2 22 ? 49.857 -2.936 -21.093 1 105.094 ? 22 ASN B ND2 1 2 +ATOM 1764 N N . CYS B 2 23 ? 46.41 -5.731 -17.694 1 82.174 ? 23 CYS B N 1 2 +ATOM 1765 C CA . CYS B 2 23 ? 45.357 -5.847 -16.699 1 81.527 ? 23 CYS B CA 1 2 +ATOM 1766 C C . CYS B 2 23 ? 45.993 -5.713 -15.321 1 81.477 ? 23 CYS B C 1 2 +ATOM 1767 O O . CYS B 2 23 ? 46.827 -6.534 -14.947 1 79.217 ? 23 CYS B O 1 2 +ATOM 1768 C CB . CYS B 2 23 ? 44.616 -7.176 -16.838 1 82.501 ? 23 CYS B CB 1 2 +ATOM 1769 S SG . CYS B 2 23 ? 43.525 -7.578 -15.444 0.89 77.174 ? 23 CYS B SG 1 2 +ATOM 1770 N N . LYS B 2 24 ? 45.591 -4.665 -14.595 1 86.846 ? 24 LYS B N 1 2 +ATOM 1771 C CA . LYS B 2 24 ? 46.156 -4.344 -13.298 1 90.804 ? 24 LYS B CA 1 2 +ATOM 1772 C C . LYS B 2 24 ? 45.095 -4.545 -12.211 1 90.468 ? 24 LYS B C 1 2 +ATOM 1773 O O . LYS B 2 24 ? 44.034 -3.933 -12.235 1 93.993 ? 24 LYS B O 1 2 +ATOM 1774 C CB . LYS B 2 24 ? 46.733 -2.926 -13.334 1 97.325 ? 24 LYS B CB 1 2 +ATOM 1775 C CG . LYS B 2 24 ? 47.389 -2.504 -12.032 1 120.466 ? 24 LYS B CG 1 2 +ATOM 1776 C CD . LYS B 2 24 ? 48.475 -1.427 -12.182 1 131.341 ? 24 LYS B CD 1 2 +ATOM 1777 C CE . LYS B 2 24 ? 49.774 -1.902 -12.804 1 137.516 ? 24 LYS B CE 1 2 +ATOM 1778 N NZ . LYS B 2 24 ? 50.956 -1.189 -12.312 1 136.518 ? 24 LYS B NZ 1 2 +ATOM 1779 N N . SER B 2 25 ? 45.413 -5.414 -11.251 1 85.333 ? 25 SER B N 1 2 +ATOM 1780 C CA . SER B 2 25 ? 44.558 -5.755 -10.128 1 82.547 ? 25 SER B CA 1 2 +ATOM 1781 C C . SER B 2 25 ? 44.906 -4.858 -8.941 1 86.628 ? 25 SER B C 1 2 +ATOM 1782 O O . SER B 2 25 ? 46.087 -4.641 -8.686 1 99.264 ? 25 SER B O 1 2 +ATOM 1783 C CB . SER B 2 25 ? 44.779 -7.198 -9.777 1 82.767 ? 25 SER B CB 1 2 +ATOM 1784 O OG . SER B 2 25 ? 44.112 -7.541 -8.576 1 108.375 ? 25 SER B OG 1 2 +ATOM 1785 N N . SER B 2 26 ? 43.901 -4.374 -8.196 1 86.578 ? 26 SER B N 1 2 +ATOM 1786 C CA . SER B 2 26 ? 44.134 -3.492 -7.056 1 94.184 ? 26 SER B CA 1 2 +ATOM 1787 C C . SER B 2 26 ? 44.753 -4.216 -5.859 1 94.007 ? 26 SER B C 1 2 +ATOM 1788 O O . SER B 2 26 ? 45.235 -3.56 -4.943 1 101.103 ? 26 SER B O 1 2 +ATOM 1789 C CB . SER B 2 26 ? 42.868 -2.789 -6.623 1 98.278 ? 26 SER B CB 1 2 +ATOM 1790 O OG . SER B 2 26 ? 41.937 -3.683 -6.025 1 96.868 ? 26 SER B OG 1 2 +ATOM 1791 N N . GLN B 2 27 ? 44.684 -5.549 -5.835 1 93.97 ? 27 GLN B N 1 2 +ATOM 1792 C CA . GLN B 2 27 ? 45.302 -6.357 -4.796 1 98.875 ? 27 GLN B CA 1 2 +ATOM 1793 C C . GLN B 2 27 ? 45.945 -7.58 -5.443 1 103.453 ? 27 GLN B C 1 2 +ATOM 1794 O O . GLN B 2 27 ? 45.545 -8.001 -6.527 1 108.249 ? 27 GLN B O 1 2 +ATOM 1795 C CB . GLN B 2 27 ? 44.276 -6.834 -3.769 1 104.06 ? 27 GLN B CB 1 2 +ATOM 1796 C CG . GLN B 2 27 ? 43.493 -5.707 -3.113 1 108.486 ? 27 GLN B CG 1 2 +ATOM 1797 C CD . GLN B 2 27 ? 42.402 -6.211 -2.206 1 113.135 ? 27 GLN B CD 1 2 +ATOM 1798 O OE1 . GLN B 2 27 ? 42.427 -7.363 -1.752 1 112.356 ? 27 GLN B OE1 1 2 +ATOM 1799 N NE2 . GLN B 2 27 ? 41.432 -5.341 -1.958 1 118.253 ? 27 GLN B NE2 1 2 +ATOM 1800 N N . SER B 2 28 A 46.932 -8.162 -4.756 1 105.068 ? 27 SER B N 1 2 +ATOM 1801 C CA . SER B 2 28 A 47.676 -9.293 -5.282 1 96.473 ? 27 SER B CA 1 2 +ATOM 1802 C C . SER B 2 28 A 46.8 -10.547 -5.345 1 97.388 ? 27 SER B C 1 2 +ATOM 1803 O O . SER B 2 28 A 46.429 -11.095 -4.31 1 91.167 ? 27 SER B O 1 2 +ATOM 1804 C CB . SER B 2 28 A 48.914 -9.531 -4.46 1 92.952 ? 27 SER B CB 1 2 +ATOM 1805 O OG . SER B 2 28 A 49.687 -10.584 -5.013 1 94.114 ? 27 SER B OG 1 2 +ATOM 1806 N N . VAL B 2 29 B 46.508 -11.023 -6.571 1 100.39 ? 27 VAL B N 1 2 +ATOM 1807 C CA . VAL B 2 29 B 45.712 -12.233 -6.769 1 94.604 ? 27 VAL B CA 1 2 +ATOM 1808 C C . VAL B 2 29 B 46.624 -13.456 -6.888 1 91.103 ? 27 VAL B C 1 2 +ATOM 1809 O O . VAL B 2 29 B 46.235 -14.45 -7.505 1 79.596 ? 27 VAL B O 1 2 +ATOM 1810 C CB . VAL B 2 29 B 44.757 -12.148 -7.98 1 92.291 ? 27 VAL B CB 1 2 +ATOM 1811 C CG1 . VAL B 2 29 B 43.573 -11.229 -7.707 1 85.095 ? 27 VAL B CG1 1 2 +ATOM 1812 C CG2 . VAL B 2 29 B 45.475 -11.739 -9.263 1 105.138 ? 27 VAL B CG2 1 2 +ATOM 1813 N N . LEU B 2 30 C 47.821 -13.375 -6.279 1 96.144 ? 27 LEU B N 1 2 +ATOM 1814 C CA . LEU B 2 30 C 48.758 -14.488 -6.199 1 94.893 ? 27 LEU B CA 1 2 +ATOM 1815 C C . LEU B 2 30 C 48.438 -15.274 -4.932 1 98.254 ? 27 LEU B C 1 2 +ATOM 1816 O O . LEU B 2 30 C 48.639 -14.752 -3.843 1 104.609 ? 27 LEU B O 1 2 +ATOM 1817 C CB . LEU B 2 30 C 50.198 -13.961 -6.179 1 92.048 ? 27 LEU B CB 1 2 +ATOM 1818 C CG . LEU B 2 30 C 51.322 -14.956 -5.838 1 95.408 ? 27 LEU B CG 1 2 +ATOM 1819 C CD1 . LEU B 2 30 C 51.34 -16.127 -6.775 1 104.232 ? 27 LEU B CD1 1 2 +ATOM 1820 C CD2 . LEU B 2 30 C 52.7 -14.336 -5.887 1 94.481 ? 27 LEU B CD2 1 2 +ATOM 1821 N N . TYR B 2 31 D 47.955 -16.515 -5.068 1 93.398 ? 27 TYR B N 1 2 +ATOM 1822 C CA . TYR B 2 31 D 47.69 -17.345 -3.905 1 99.567 ? 27 TYR B CA 1 2 +ATOM 1823 C C . TYR B 2 31 D 48.987 -18.022 -3.464 1 99.882 ? 27 TYR B C 1 2 +ATOM 1824 O O . TYR B 2 31 D 49.552 -18.814 -4.213 1 87.297 ? 27 TYR B O 1 2 +ATOM 1825 C CB . TYR B 2 31 D 46.608 -18.374 -4.235 1 104.221 ? 27 TYR B CB 1 2 +ATOM 1826 C CG . TYR B 2 31 D 45.981 -19.098 -3.05 1 91.702 ? 27 TYR B CG 1 2 +ATOM 1827 C CD1 . TYR B 2 31 D 45.705 -18.447 -1.855 1 91.938 ? 27 TYR B CD1 1 2 +ATOM 1828 C CD2 . TYR B 2 31 D 45.632 -20.432 -3.154 1 83.745 ? 27 TYR B CD2 1 2 +ATOM 1829 C CE1 . TYR B 2 31 D 45.11 -19.108 -0.794 1 103.234 ? 27 TYR B CE1 1 2 +ATOM 1830 C CE2 . TYR B 2 31 D 45.019 -21.098 -2.109 1 101.53 ? 27 TYR B CE2 1 2 +ATOM 1831 C CZ . TYR B 2 31 D 44.766 -20.445 -0.918 1 112.091 ? 27 TYR B CZ 1 2 +ATOM 1832 O OH . TYR B 2 31 D 44.193 -21.163 0.101 1 122.29 ? 27 TYR B OH 1 2 +ATOM 1833 N N . SER B 2 32 E 49.458 -17.709 -2.249 1 106.992 ? 27 SER B N 1 2 +ATOM 1834 C CA . SER B 2 32 E 50.805 -18.089 -1.854 1 115.553 ? 27 SER B CA 1 2 +ATOM 1835 C C . SER B 2 32 E 50.881 -19.598 -1.65 1 114.849 ? 27 SER B C 1 2 +ATOM 1836 O O . SER B 2 32 E 51.912 -20.214 -1.915 1 130.74 ? 27 SER B O 1 2 +ATOM 1837 C CB . SER B 2 32 E 51.237 -17.361 -0.631 1 116.795 ? 27 SER B CB 1 2 +ATOM 1838 O OG . SER B 2 32 E 50.31 -17.633 0.401 1 128.826 ? 27 SER B OG 1 2 +ATOM 1839 N N . SER B 2 33 F 49.765 -20.18 -1.205 1 108.103 ? 27 SER B N 1 2 +ATOM 1840 C CA . SER B 2 33 F 49.632 -21.617 -1.008 1 113.545 ? 27 SER B CA 1 2 +ATOM 1841 C C . SER B 2 33 F 50.101 -22.461 -2.21 1 119.972 ? 27 SER B C 1 2 +ATOM 1842 O O . SER B 2 33 F 50.863 -23.402 -2.009 1 123.461 ? 27 SER B O 1 2 +ATOM 1843 C CB . SER B 2 33 F 48.214 -21.914 -0.626 1 107.031 ? 27 SER B CB 1 2 +ATOM 1844 O OG . SER B 2 33 F 48.005 -23.304 -0.476 1 106.843 ? 27 SER B OG 1 2 +ATOM 1845 N N . ASN B 2 34 ? 49.66 -22.166 -3.45 1 113.295 ? 28 ASN B N 1 2 +ATOM 1846 C CA . ASN B 2 34 ? 50.038 -22.967 -4.615 1 92.461 ? 28 ASN B CA 1 2 +ATOM 1847 C C . ASN B 2 34 ? 50.766 -22.152 -5.685 1 90.752 ? 28 ASN B C 1 2 +ATOM 1848 O O . ASN B 2 34 ? 51.008 -22.658 -6.779 1 87.227 ? 28 ASN B O 1 2 +ATOM 1849 C CB . ASN B 2 34 ? 48.835 -23.655 -5.246 1 88.588 ? 28 ASN B CB 1 2 +ATOM 1850 C CG . ASN B 2 34 ? 47.72 -22.695 -5.588 1 85.882 ? 28 ASN B CG 1 2 +ATOM 1851 O OD1 . ASN B 2 34 ? 47.879 -21.481 -5.487 1 89.721 ? 28 ASN B OD1 1 2 +ATOM 1852 N ND2 . ASN B 2 34 ? 46.571 -23.208 -5.976 1 88.136 ? 28 ASN B ND2 1 2 +ATOM 1853 N N . ASN B 2 35 ? 51.135 -20.904 -5.359 1 101.255 ? 29 ASN B N 1 2 +ATOM 1854 C CA . ASN B 2 35 ? 51.898 -20.02 -6.236 1 102.29 ? 29 ASN B CA 1 2 +ATOM 1855 C C . ASN B 2 35 ? 51.169 -19.706 -7.535 1 97.955 ? 29 ASN B C 1 2 +ATOM 1856 O O . ASN B 2 35 ? 51.788 -19.114 -8.406 1 104.851 ? 29 ASN B O 1 2 +ATOM 1857 C CB . ASN B 2 35 ? 53.284 -20.552 -6.585 1 101.045 ? 29 ASN B CB 1 2 +ATOM 1858 C CG . ASN B 2 35 ? 54.361 -19.891 -5.763 1 112.981 ? 29 ASN B CG 1 2 +ATOM 1859 O OD1 . ASN B 2 35 ? 54.528 -20.178 -4.573 1 138.605 ? 29 ASN B OD1 1 2 +ATOM 1860 N ND2 . ASN B 2 35 ? 55.116 -19.009 -6.39 1 124.355 ? 29 ASN B ND2 1 2 +ATOM 1861 N N . LYS B 2 36 ? 49.878 -20.042 -7.644 1 96.026 ? 30 LYS B N 1 2 +ATOM 1862 C CA . LYS B 2 36 ? 49.087 -19.746 -8.83 1 96.57 ? 30 LYS B CA 1 2 +ATOM 1863 C C . LYS B 2 36 ? 48.389 -18.389 -8.691 1 101.886 ? 30 LYS B C 1 2 +ATOM 1864 O O . LYS B 2 36 ? 47.832 -18.055 -7.646 1 106.143 ? 30 LYS B O 1 2 +ATOM 1865 C CB . LYS B 2 36 ? 48.015 -20.818 -9.016 1 94.252 ? 30 LYS B CB 1 2 +ATOM 1866 C CG . LYS B 2 36 ? 48.455 -22.161 -9.539 1 102.786 ? 30 LYS B CG 1 2 +ATOM 1867 C CD . LYS B 2 36 ? 47.23 -23.067 -9.709 1 117.228 ? 30 LYS B CD 1 2 +ATOM 1868 C CE . LYS B 2 36 ? 47.466 -24.497 -10.094 1 122.316 ? 30 LYS B CE 1 2 +ATOM 1869 N NZ . LYS B 2 36 ? 48.164 -24.566 -11.381 1 131.562 ? 30 LYS B NZ 1 2 +ATOM 1870 N N . ASN B 2 37 ? 48.415 -17.597 -9.769 1 91.256 ? 31 ASN B N 1 2 +ATOM 1871 C CA . ASN B 2 37 ? 47.708 -16.329 -9.802 1 85.135 ? 31 ASN B CA 1 2 +ATOM 1872 C C . ASN B 2 37 ? 46.321 -16.544 -10.391 1 81.288 ? 31 ASN B C 1 2 +ATOM 1873 O O . ASN B 2 37 ? 46.204 -17.044 -11.512 1 77.616 ? 31 ASN B O 1 2 +ATOM 1874 C CB . ASN B 2 37 ? 48.415 -15.312 -10.676 1 85.678 ? 31 ASN B CB 1 2 +ATOM 1875 C CG . ASN B 2 37 ? 49.85 -15.136 -10.278 1 87.279 ? 31 ASN B CG 1 2 +ATOM 1876 O OD1 . ASN B 2 37 ? 50.169 -14.254 -9.48 1 95.525 ? 31 ASN B OD1 1 2 +ATOM 1877 N ND2 . ASN B 2 37 ? 50.727 -15.913 -10.886 1 96.504 ? 31 ASN B ND2 1 2 +ATOM 1878 N N . TYR B 2 38 ? 45.278 -16.156 -9.644 1 79.266 ? 32 TYR B N 1 2 +ATOM 1879 C CA . TYR B 2 38 ? 43.914 -16.466 -10.054 1 76.353 ? 32 TYR B CA 1 2 +ATOM 1880 C C . TYR B 2 38 ? 43.379 -15.391 -10.99 1 79.4 ? 32 TYR B C 1 2 +ATOM 1881 O O . TYR B 2 38 ? 42.594 -14.564 -10.555 1 81.481 ? 32 TYR B O 1 2 +ATOM 1882 C CB . TYR B 2 38 ? 43.031 -16.746 -8.831 1 69.751 ? 32 TYR B CB 1 2 +ATOM 1883 C CG . TYR B 2 38 ? 43.336 -18.146 -8.304 1 74.996 ? 32 TYR B CG 1 2 +ATOM 1884 C CD1 . TYR B 2 38 ? 42.766 -19.275 -8.901 1 73.883 ? 32 TYR B CD1 1 2 +ATOM 1885 C CD2 . TYR B 2 38 ? 44.284 -18.353 -7.318 1 70.331 ? 32 TYR B CD2 1 2 +ATOM 1886 C CE1 . TYR B 2 38 ? 43.091 -20.558 -8.504 1 69.908 ? 32 TYR B CE1 1 2 +ATOM 1887 C CE2 . TYR B 2 38 ? 44.617 -19.631 -6.912 1 74.188 ? 32 TYR B CE2 1 2 +ATOM 1888 C CZ . TYR B 2 38 ? 44.025 -20.737 -7.508 1 75.893 ? 32 TYR B CZ 1 2 +ATOM 1889 O OH . TYR B 2 38 ? 44.308 -22.011 -7.108 1 71.877 ? 32 TYR B OH 1 2 +ATOM 1890 N N . LEU B 2 39 ? 43.766 -15.456 -12.274 1 88.474 ? 33 LEU B N 1 2 +ATOM 1891 C CA . LEU B 2 39 ? 43.384 -14.445 -13.249 1 82.388 ? 33 LEU B CA 1 2 +ATOM 1892 C C . LEU B 2 39 ? 43.036 -15.088 -14.586 1 80.916 ? 33 LEU B C 1 2 +ATOM 1893 O O . LEU B 2 39 ? 43.823 -15.855 -15.113 1 74.006 ? 33 LEU B O 1 2 +ATOM 1894 C CB . LEU B 2 39 ? 44.515 -13.452 -13.46 1 78.503 ? 33 LEU B CB 1 2 +ATOM 1895 C CG . LEU B 2 39 ? 44.09 -12.242 -14.279 1 76.633 ? 33 LEU B CG 1 2 +ATOM 1896 C CD1 . LEU B 2 39 ? 44.106 -11.058 -13.336 1 84.834 ? 33 LEU B CD1 1 2 +ATOM 1897 C CD2 . LEU B 2 39 ? 44.918 -12.06 -15.535 1 80.702 ? 33 LEU B CD2 1 2 +ATOM 1898 N N . ALA B 2 40 ? 41.89 -14.708 -15.16 1 91.889 ? 34 ALA B N 1 2 +ATOM 1899 C CA . ALA B 2 40 ? 41.397 -15.298 -16.396 1 91.554 ? 34 ALA B CA 1 2 +ATOM 1900 C C . ALA B 2 40 ? 41.254 -14.241 -17.493 1 86.583 ? 34 ALA B C 1 2 +ATOM 1901 O O . ALA B 2 40 ? 41.125 -13.048 -17.232 1 94.022 ? 34 ALA B O 1 2 +ATOM 1902 C CB . ALA B 2 40 ? 40.074 -15.992 -16.137 1 98.884 ? 34 ALA B CB 1 2 +ATOM 1903 N N . TRP B 2 41 ? 41.273 -14.703 -18.739 1 75.141 ? 35 TRP B N 1 2 +ATOM 1904 C CA . TRP B 2 41 ? 41.09 -13.838 -19.883 1 70.119 ? 35 TRP B CA 1 2 +ATOM 1905 C C . TRP B 2 41 ? 39.961 -14.39 -20.744 1 66.797 ? 35 TRP B C 1 2 +ATOM 1906 O O . TRP B 2 41 ? 39.964 -15.565 -21.065 1 85.746 ? 35 TRP B O 1 2 +ATOM 1907 C CB . TRP B 2 41 ? 42.393 -13.76 -20.691 1 67.007 ? 35 TRP B CB 1 2 +ATOM 1908 C CG . TRP B 2 41 ? 43.453 -12.848 -20.128 1 70.035 ? 35 TRP B CG 1 2 +ATOM 1909 C CD1 . TRP B 2 41 ? 44.568 -13.203 -19.429 1 76.204 ? 35 TRP B CD1 1 2 +ATOM 1910 C CD2 . TRP B 2 41 ? 43.504 -11.412 -20.237 1 71.194 ? 35 TRP B CD2 1 2 +ATOM 1911 N NE1 . TRP B 2 41 ? 45.316 -12.103 -19.113 1 82.163 ? 35 TRP B NE1 1 2 +ATOM 1912 C CE2 . TRP B 2 41 ? 44.677 -10.987 -19.576 1 74.235 ? 35 TRP B CE2 1 2 +ATOM 1913 C CE3 . TRP B 2 41 ? 42.67 -10.455 -20.812 1 78.225 ? 35 TRP B CE3 1 2 +ATOM 1914 C CZ2 . TRP B 2 41 ? 45.035 -9.65 -19.466 1 75.139 ? 35 TRP B CZ2 1 2 +ATOM 1915 C CZ3 . TRP B 2 41 ? 43.028 -9.128 -20.708 1 90.216 ? 35 TRP B CZ3 1 2 +ATOM 1916 C CH2 . TRP B 2 41 ? 44.195 -8.736 -20.047 1 84.042 ? 35 TRP B CH2 1 2 +ATOM 1917 N N . TYR B 2 42 ? 39.034 -13.527 -21.159 1 64.128 ? 36 TYR B N 1 2 +ATOM 1918 C CA . TYR B 2 42 ? 37.983 -13.906 -22.089 1 60.428 ? 36 TYR B CA 1 2 +ATOM 1919 C C . TYR B 2 42 ? 38.051 -13.08 -23.376 1 67.003 ? 36 TYR B C 1 2 +ATOM 1920 O O . TYR B 2 42 ? 38.519 -11.941 -23.398 1 64.849 ? 36 TYR B O 1 2 +ATOM 1921 C CB . TYR B 2 42 ? 36.63 -13.696 -21.412 1 60.877 ? 36 TYR B CB 1 2 +ATOM 1922 C CG . TYR B 2 42 ? 36.506 -14.454 -20.105 1 63.135 ? 36 TYR B CG 1 2 +ATOM 1923 C CD1 . TYR B 2 42 ? 36.931 -13.902 -18.914 1 62.947 ? 36 TYR B CD1 1 2 +ATOM 1924 C CD2 . TYR B 2 42 ? 35.952 -15.717 -20.07 1 77.993 ? 36 TYR B CD2 1 2 +ATOM 1925 C CE1 . TYR B 2 42 ? 36.814 -14.588 -17.726 1 70.187 ? 36 TYR B CE1 1 2 +ATOM 1926 C CE2 . TYR B 2 42 ? 35.859 -16.43 -18.892 1 81.868 ? 36 TYR B CE2 1 2 +ATOM 1927 C CZ . TYR B 2 42 ? 36.298 -15.867 -17.718 1 74.992 ? 36 TYR B CZ 1 2 +ATOM 1928 O OH . TYR B 2 42 ? 36.179 -16.57 -16.559 1 89.108 ? 36 TYR B OH 1 2 +ATOM 1929 N N . GLN B 2 43 ? 37.549 -13.682 -24.461 1 76.14 ? 37 GLN B N 1 2 +ATOM 1930 C CA . GLN B 2 43 ? 37.364 -13.03 -25.751 1 69.222 ? 37 GLN B CA 1 2 +ATOM 1931 C C . GLN B 2 43 ? 35.867 -12.906 -25.995 1 65.767 ? 37 GLN B C 1 2 +ATOM 1932 O O . GLN B 2 43 ? 35.155 -13.894 -25.9 1 73.6 ? 37 GLN B O 1 2 +ATOM 1933 C CB . GLN B 2 43 ? 37.972 -13.948 -26.812 1 73.749 ? 37 GLN B CB 1 2 +ATOM 1934 C CG . GLN B 2 43 ? 37.812 -13.457 -28.25 1 76.045 ? 37 GLN B CG 1 2 +ATOM 1935 C CD . GLN B 2 43 ? 38 -14.568 -29.261 1 84.138 ? 37 GLN B CD 1 2 +ATOM 1936 O OE1 . GLN B 2 43 ? 37.302 -15.596 -29.211 1 72.301 ? 37 GLN B OE1 1 2 +ATOM 1937 N NE2 . GLN B 2 43 ? 38.993 -14.399 -30.133 1 94.903 ? 37 GLN B NE2 1 2 +ATOM 1938 N N . GLN B 2 44 ? 35.376 -11.715 -26.325 1 68.879 ? 38 GLN B N 1 2 +ATOM 1939 C CA . GLN B 2 44 ? 33.956 -11.574 -26.63 1 76.901 ? 38 GLN B CA 1 2 +ATOM 1940 C C . GLN B 2 44 ? 33.739 -10.888 -27.985 1 76.465 ? 38 GLN B C 1 2 +ATOM 1941 O O . GLN B 2 44 ? 33.898 -9.685 -28.145 1 57.942 ? 38 GLN B O 1 2 +ATOM 1942 C CB . GLN B 2 44 ? 33.171 -10.847 -25.538 1 78.422 ? 38 GLN B CB 1 2 +ATOM 1943 C CG . GLN B 2 44 ? 31.663 -10.917 -25.754 1 77.846 ? 38 GLN B CG 1 2 +ATOM 1944 C CD . GLN B 2 44 ? 30.848 -10.008 -24.848 1 82.356 ? 38 GLN B CD 1 2 +ATOM 1945 O OE1 . GLN B 2 44 ? 31.224 -8.871 -24.495 1 82.564 ? 38 GLN B OE1 1 2 +ATOM 1946 N NE2 . GLN B 2 44 ? 29.679 -10.512 -24.483 1 77.835 ? 38 GLN B NE2 1 2 +ATOM 1947 N N . LYS B 2 45 ? 33.322 -11.683 -28.975 1 93.524 ? 39 LYS B N 1 2 +ATOM 1948 C CA . LYS B 2 45 ? 33.017 -11.175 -30.3 1 84.805 ? 39 LYS B CA 1 2 +ATOM 1949 C C . LYS B 2 45 ? 31.62 -10.577 -30.253 1 86.456 ? 39 LYS B C 1 2 +ATOM 1950 O O . LYS B 2 45 ? 30.83 -10.939 -29.389 1 82.154 ? 39 LYS B O 1 2 +ATOM 1951 C CB . LYS B 2 45 ? 33.121 -12.343 -31.281 1 82.853 ? 39 LYS B CB 1 2 +ATOM 1952 C CG . LYS B 2 45 ? 34.553 -12.789 -31.554 1 89.992 ? 39 LYS B CG 1 2 +ATOM 1953 C CD . LYS B 2 45 ? 34.689 -14.216 -32.07 1 102.393 ? 39 LYS B CD 1 2 +ATOM 1954 C CE . LYS B 2 45 ? 35.912 -14.411 -32.909 1 101.23 ? 39 LYS B CE 1 2 +ATOM 1955 N NZ . LYS B 2 45 ? 36.049 -13.481 -34.046 1 100.717 ? 39 LYS B NZ 1 2 +ATOM 1956 N N . PRO B 2 46 ? 31.256 -9.654 -31.166 1 101.132 ? 40 PRO B N 1 2 +ATOM 1957 C CA . PRO B 2 46 ? 29.944 -9.012 -31.083 1 98.003 ? 40 PRO B CA 1 2 +ATOM 1958 C C . PRO B 2 46 ? 28.756 -9.971 -31.152 1 101.994 ? 40 PRO B C 1 2 +ATOM 1959 O O . PRO B 2 46 ? 28.688 -10.833 -32.025 1 121.418 ? 40 PRO B O 1 2 +ATOM 1960 C CB . PRO B 2 46 ? 29.949 -8.033 -32.258 1 112.138 ? 40 PRO B CB 1 2 +ATOM 1961 C CG . PRO B 2 46 ? 31.035 -8.536 -33.197 1 120.712 ? 40 PRO B CG 1 2 +ATOM 1962 C CD . PRO B 2 46 ? 32.077 -9.189 -32.298 1 115.398 ? 40 PRO B CD 1 2 +ATOM 1963 N N . GLY B 2 47 ? 27.821 -9.802 -30.208 1 107.455 ? 41 GLY B N 1 2 +ATOM 1964 C CA . GLY B 2 47 ? 26.56 -10.525 -30.212 1 109.854 ? 41 GLY B CA 1 2 +ATOM 1965 C C . GLY B 2 47 ? 26.714 -11.965 -29.741 1 104.984 ? 41 GLY B C 1 2 +ATOM 1966 O O . GLY B 2 47 ? 25.76 -12.737 -29.802 1 127.103 ? 41 GLY B O 1 2 +ATOM 1967 N N . GLN B 2 48 ? 27.906 -12.303 -29.244 1 88.446 ? 42 GLN B N 1 2 +ATOM 1968 C CA . GLN B 2 48 ? 28.193 -13.657 -28.824 1 83.995 ? 42 GLN B CA 1 2 +ATOM 1969 C C . GLN B 2 48 ? 28.66 -13.676 -27.375 1 86.205 ? 42 GLN B C 1 2 +ATOM 1970 O O . GLN B 2 48 ? 29.421 -12.809 -26.953 1 88.712 ? 42 GLN B O 1 2 +ATOM 1971 C CB . GLN B 2 48 ? 29.268 -14.237 -29.728 1 84.235 ? 42 GLN B CB 1 2 +ATOM 1972 C CG . GLN B 2 48 ? 28.778 -14.487 -31.147 1 90.203 ? 42 GLN B CG 1 2 +ATOM 1973 C CD . GLN B 2 48 ? 29.893 -14.981 -32.035 1 103.743 ? 42 GLN B CD 1 2 +ATOM 1974 O OE1 . GLN B 2 48 ? 30.827 -15.658 -31.579 1 107.4 ? 42 GLN B OE1 1 2 +ATOM 1975 N NE2 . GLN B 2 48 ? 29.819 -14.605 -33.305 1 106.277 ? 42 GLN B NE2 1 2 +ATOM 1976 N N . PRO B 2 49 ? 28.239 -14.698 -26.592 1 79.911 ? 43 PRO B N 1 2 +ATOM 1977 C CA . PRO B 2 49 ? 28.695 -14.864 -25.215 1 73.78 ? 43 PRO B CA 1 2 +ATOM 1978 C C . PRO B 2 49 ? 30.211 -15.017 -25.136 1 76.146 ? 43 PRO B C 1 2 +ATOM 1979 O O . PRO B 2 49 ? 30.847 -15.544 -26.046 1 69.18 ? 43 PRO B O 1 2 +ATOM 1980 C CB . PRO B 2 49 ? 27.971 -16.131 -24.751 1 64.842 ? 43 PRO B CB 1 2 +ATOM 1981 C CG . PRO B 2 49 ? 27.702 -16.877 -26.023 1 64.166 ? 43 PRO B CG 1 2 +ATOM 1982 C CD . PRO B 2 49 ? 27.339 -15.785 -27.009 1 73.787 ? 43 PRO B CD 1 2 +ATOM 1983 N N . PRO B 2 50 ? 30.832 -14.562 -24.032 1 73.783 ? 44 PRO B N 1 2 +ATOM 1984 C CA . PRO B 2 50 ? 32.286 -14.607 -23.926 1 79.09 ? 44 PRO B CA 1 2 +ATOM 1985 C C . PRO B 2 50 ? 32.877 -16.013 -24.037 1 76.087 ? 44 PRO B C 1 2 +ATOM 1986 O O . PRO B 2 50 ? 32.183 -17.014 -23.883 1 78.662 ? 44 PRO B O 1 2 +ATOM 1987 C CB . PRO B 2 50 ? 32.564 -13.981 -22.55 1 87.43 ? 44 PRO B CB 1 2 +ATOM 1988 C CG . PRO B 2 50 ? 31.303 -13.211 -22.214 1 85.829 ? 44 PRO B CG 1 2 +ATOM 1989 C CD . PRO B 2 50 ? 30.165 -13.965 -22.866 1 75.75 ? 44 PRO B CD 1 2 +ATOM 1990 N N . LYS B 2 51 ? 34.184 -16.063 -24.304 1 70.99 ? 45 LYS B N 1 2 +ATOM 1991 C CA . LYS B 2 51 ? 34.877 -17.316 -24.498 1 70.504 ? 45 LYS B CA 1 2 +ATOM 1992 C C . LYS B 2 51 ? 36.136 -17.288 -23.657 1 68.261 ? 45 LYS B C 1 2 +ATOM 1993 O O . LYS B 2 51 ? 36.991 -16.433 -23.87 1 73.944 ? 45 LYS B O 1 2 +ATOM 1994 C CB . LYS B 2 51 ? 35.287 -17.484 -25.964 1 82.07 ? 45 LYS B CB 1 2 +ATOM 1995 C CG . LYS B 2 51 ? 36.145 -18.697 -26.279 1 88.051 ? 45 LYS B CG 1 2 +ATOM 1996 C CD . LYS B 2 51 ? 36.479 -18.829 -27.76 1 87.606 ? 45 LYS B CD 1 2 +ATOM 1997 C CE . LYS B 2 51 ? 37.403 -19.962 -28.006 1 97.21 ? 45 LYS B CE 1 2 +ATOM 1998 N NZ . LYS B 2 51 ? 37.137 -20.594 -29.301 1 110.749 ? 45 LYS B NZ 1 2 +ATOM 1999 N N . LEU B 2 52 ? 36.276 -18.262 -22.756 1 69.522 ? 46 LEU B N 1 2 +ATOM 2000 C CA . LEU B 2 52 ? 37.492 -18.394 -21.971 1 73.07 ? 46 LEU B CA 1 2 +ATOM 2001 C C . LEU B 2 52 ? 38.7 -18.743 -22.851 1 71.25 ? 46 LEU B C 1 2 +ATOM 2002 O O . LEU B 2 52 ? 38.653 -19.661 -23.674 1 73.353 ? 46 LEU B O 1 2 +ATOM 2003 C CB . LEU B 2 52 ? 37.278 -19.439 -20.886 1 78.591 ? 46 LEU B CB 1 2 +ATOM 2004 C CG . LEU B 2 52 ? 38.472 -19.657 -19.955 1 93.106 ? 46 LEU B CG 1 2 +ATOM 2005 C CD1 . LEU B 2 52 ? 38.786 -18.409 -19.109 1 90.541 ? 46 LEU B CD1 1 2 +ATOM 2006 C CD2 . LEU B 2 52 ? 38.2 -20.911 -19.087 1 97.662 ? 46 LEU B CD2 1 2 +ATOM 2007 N N . LEU B 2 53 ? 39.797 -18.009 -22.632 1 69.163 ? 47 LEU B N 1 2 +ATOM 2008 C CA . LEU B 2 53 ? 41.055 -18.19 -23.337 1 68.016 ? 47 LEU B CA 1 2 +ATOM 2009 C C . LEU B 2 53 ? 42.095 -18.739 -22.368 1 68.431 ? 47 LEU B C 1 2 +ATOM 2010 O O . LEU B 2 53 ? 42.67 -19.781 -22.649 1 78.777 ? 47 LEU B O 1 2 +ATOM 2011 C CB . LEU B 2 53 ? 41.549 -16.868 -23.924 1 70.718 ? 47 LEU B CB 1 2 +ATOM 2012 C CG . LEU B 2 53 ? 40.637 -16.154 -24.917 1 69.336 ? 47 LEU B CG 1 2 +ATOM 2013 C CD1 . LEU B 2 53 ? 41.275 -14.851 -25.335 1 69.331 ? 47 LEU B CD1 1 2 +ATOM 2014 C CD2 . LEU B 2 53 ? 40.42 -17.056 -26.109 1 75.932 ? 47 LEU B CD2 1 2 +ATOM 2015 N N . ILE B 2 54 ? 42.368 -18 -21.279 1 69.743 ? 48 ILE B N 1 2 +ATOM 2016 C CA . ILE B 2 54 ? 43.466 -18.272 -20.355 1 75.929 ? 48 ILE B CA 1 2 +ATOM 2017 C C . ILE B 2 54 ? 42.909 -18.288 -18.934 1 80.966 ? 48 ILE B C 1 2 +ATOM 2018 O O . ILE B 2 54 ? 42.011 -17.518 -18.614 1 80.994 ? 48 ILE B O 1 2 +ATOM 2019 C CB . ILE B 2 54 ? 44.591 -17.218 -20.433 1 72.995 ? 48 ILE B CB 1 2 +ATOM 2020 C CG1 . ILE B 2 54 ? 45.09 -16.923 -21.855 1 78.092 ? 48 ILE B CG1 1 2 +ATOM 2021 C CG2 . ILE B 2 54 ? 45.742 -17.588 -19.512 1 66.768 ? 48 ILE B CG2 1 2 +ATOM 2022 C CD1 . ILE B 2 54 ? 45.708 -18.098 -22.573 1 78.279 ? 48 ILE B CD1 1 2 +ATOM 2023 N N . TYR B 2 55 ? 43.458 -19.162 -18.079 1 84.533 ? 49 TYR B N 1 2 +ATOM 2024 C CA . TYR B 2 55 ? 43.132 -19.18 -16.662 1 82.546 ? 49 TYR B CA 1 2 +ATOM 2025 C C . TYR B 2 55 ? 44.422 -19.426 -15.889 1 89.355 ? 49 TYR B C 1 2 +ATOM 2026 O O . TYR B 2 55 ? 45.421 -19.84 -16.475 1 78.611 ? 49 TYR B O 1 2 +ATOM 2027 C CB . TYR B 2 55 ? 42.035 -20.188 -16.316 1 77.481 ? 49 TYR B CB 1 2 +ATOM 2028 C CG . TYR B 2 55 ? 42.338 -21.654 -16.596 1 77.923 ? 49 TYR B CG 1 2 +ATOM 2029 C CD1 . TYR B 2 55 ? 42.21 -22.194 -17.871 1 79.548 ? 49 TYR B CD1 1 2 +ATOM 2030 C CD2 . TYR B 2 55 ? 42.674 -22.523 -15.575 1 78.313 ? 49 TYR B CD2 1 2 +ATOM 2031 C CE1 . TYR B 2 55 ? 42.478 -23.528 -18.134 1 79.402 ? 49 TYR B CE1 1 2 +ATOM 2032 C CE2 . TYR B 2 55 ? 42.927 -23.865 -15.82 1 74.618 ? 49 TYR B CE2 1 2 +ATOM 2033 C CZ . TYR B 2 55 ? 42.834 -24.368 -17.102 1 70.969 ? 49 TYR B CZ 1 2 +ATOM 2034 O OH . TYR B 2 55 ? 43.039 -25.668 -17.428 1 66.053 ? 49 TYR B OH 1 2 +ATOM 2035 N N . TRP B 2 56 ? 44.389 -19.13 -14.576 1 100.642 ? 50 TRP B N 1 2 +ATOM 2036 C CA . TRP B 2 56 ? 45.565 -19.211 -13.709 1 91.425 ? 50 TRP B CA 1 2 +ATOM 2037 C C . TRP B 2 56 ? 46.701 -18.358 -14.277 1 74.037 ? 50 TRP B C 1 2 +ATOM 2038 O O . TRP B 2 56 ? 47.871 -18.718 -14.212 1 80.293 ? 50 TRP B O 1 2 +ATOM 2039 C CB . TRP B 2 56 ? 46.009 -20.67 -13.483 1 97.243 ? 50 TRP B CB 1 2 +ATOM 2040 C CG . TRP B 2 56 ? 45.031 -21.562 -12.744 1 103.387 ? 50 TRP B CG 1 2 +ATOM 2041 C CD1 . TRP B 2 56 ? 44.017 -21.216 -11.894 1 116.253 ? 50 TRP B CD1 1 2 +ATOM 2042 C CD2 . TRP B 2 56 ? 45.005 -23.002 -12.816 1 96.688 ? 50 TRP B CD2 1 2 +ATOM 2043 N NE1 . TRP B 2 56 ? 43.357 -22.328 -11.441 1 111.9 ? 50 TRP B NE1 1 2 +ATOM 2044 C CE2 . TRP B 2 56 ? 43.948 -23.434 -11.98 1 101.334 ? 50 TRP B CE2 1 2 +ATOM 2045 C CE3 . TRP B 2 56 ? 45.764 -23.945 -13.52 1 88.497 ? 50 TRP B CE3 1 2 +ATOM 2046 C CZ2 . TRP B 2 56 ? 43.621 -24.773 -11.833 1 109.468 ? 50 TRP B CZ2 1 2 +ATOM 2047 C CZ3 . TRP B 2 56 ? 45.448 -25.271 -13.355 1 96.608 ? 50 TRP B CZ3 1 2 +ATOM 2048 C CH2 . TRP B 2 56 ? 44.391 -25.676 -12.529 1 114.347 ? 50 TRP B CH2 1 2 +ATOM 2049 N N . ALA B 2 57 ? 46.326 -17.214 -14.846 1 72.202 ? 51 ALA B N 1 2 +ATOM 2050 C CA . ALA B 2 57 ? 47.223 -16.206 -15.409 1 78.724 ? 51 ALA B CA 1 2 +ATOM 2051 C C . ALA B 2 57 ? 47.823 -16.595 -16.768 1 83.021 ? 51 ALA B C 1 2 +ATOM 2052 O O . ALA B 2 57 ? 47.888 -15.726 -17.644 1 84.611 ? 51 ALA B O 1 2 +ATOM 2053 C CB . ALA B 2 57 ? 48.296 -15.812 -14.418 1 79.848 ? 51 ALA B CB 1 2 +ATOM 2054 N N . SER B 2 58 ? 48.313 -17.841 -16.937 1 77.946 ? 52 SER B N 1 2 +ATOM 2055 C CA . SER B 2 58 ? 49.031 -18.218 -18.151 1 73.357 ? 52 SER B CA 1 2 +ATOM 2056 C C . SER B 2 58 ? 48.607 -19.566 -18.722 1 74.637 ? 52 SER B C 1 2 +ATOM 2057 O O . SER B 2 58 ? 48.974 -19.846 -19.855 1 77.577 ? 52 SER B O 1 2 +ATOM 2058 C CB . SER B 2 58 ? 50.544 -18.179 -17.97 1 76.384 ? 52 SER B CB 1 2 +ATOM 2059 O OG . SER B 2 58 ? 50.964 -18.672 -16.709 1 89.527 ? 52 SER B OG 1 2 +ATOM 2060 N N . THR B 2 59 ? 47.84 -20.379 -17.982 1 77.826 ? 53 THR B N 1 2 +ATOM 2061 C CA . THR B 2 59 ? 47.444 -21.703 -18.455 1 82.11 ? 53 THR B CA 1 2 +ATOM 2062 C C . THR B 2 59 ? 46.346 -21.589 -19.521 1 80.293 ? 53 THR B C 1 2 +ATOM 2063 O O . THR B 2 59 ? 45.266 -21.047 -19.269 1 84.852 ? 53 THR B O 1 2 +ATOM 2064 C CB . THR B 2 59 ? 46.984 -22.564 -17.273 1 84.027 ? 53 THR B CB 1 2 +ATOM 2065 O OG1 . THR B 2 59 ? 48.118 -22.844 -16.466 1 87.662 ? 53 THR B OG1 1 2 +ATOM 2066 C CG2 . THR B 2 59 ? 46.445 -23.912 -17.699 1 83.581 ? 53 THR B CG2 1 2 +ATOM 2067 N N . ARG B 2 60 ? 46.619 -22.162 -20.703 1 73.288 ? 54 ARG B N 1 2 +ATOM 2068 C CA . ARG B 2 60 ? 45.768 -21.953 -21.863 1 71.064 ? 54 ARG B CA 1 2 +ATOM 2069 C C . ARG B 2 60 ? 44.689 -23.021 -21.946 1 72.11 ? 54 ARG B C 1 2 +ATOM 2070 O O . ARG B 2 60 ? 45.024 -24.197 -21.87 1 86.343 ? 54 ARG B O 1 2 +ATOM 2071 C CB . ARG B 2 60 ? 46.652 -22.013 -23.108 1 73.567 ? 54 ARG B CB 1 2 +ATOM 2072 C CG . ARG B 2 60 ? 46.059 -21.273 -24.295 1 75.707 ? 54 ARG B CG 1 2 +ATOM 2073 C CD . ARG B 2 60 ? 47.16 -20.998 -25.308 1 79.368 ? 54 ARG B CD 1 2 +ATOM 2074 N NE . ARG B 2 60 ? 47.572 -22.243 -25.958 1 87.117 ? 54 ARG B NE 1 2 +ATOM 2075 C CZ . ARG B 2 60 ? 48.792 -22.715 -25.993 1 87.452 ? 54 ARG B CZ 1 2 +ATOM 2076 N NH1 . ARG B 2 60 ? 49.73 -21.974 -25.416 1 89.173 ? 54 ARG B NH1 1 2 +ATOM 2077 N NH2 . ARG B 2 60 ? 49.014 -23.891 -26.589 1 77.669 ? 54 ARG B NH2 1 2 +ATOM 2078 N N . GLU B 2 61 ? 43.426 -22.603 -22.153 1 71.615 ? 55 GLU B N 1 2 +ATOM 2079 C CA . GLU B 2 61 ? 42.266 -23.499 -22.212 1 80.574 ? 55 GLU B CA 1 2 +ATOM 2080 C C . GLU B 2 61 ? 42.352 -24.361 -23.474 1 82.056 ? 55 GLU B C 1 2 +ATOM 2081 O O . GLU B 2 61 ? 42.962 -23.961 -24.466 1 76.847 ? 55 GLU B O 1 2 +ATOM 2082 C CB . GLU B 2 61 ? 40.937 -22.727 -22.139 1 83.066 ? 55 GLU B CB 1 2 +ATOM 2083 C CG . GLU B 2 61 ? 39.63 -23.511 -22.348 1 92.323 ? 55 GLU B CG 1 2 +ATOM 2084 C CD . GLU B 2 61 ? 39.001 -24.353 -21.225 1 104.341 ? 55 GLU B CD 1 2 +ATOM 2085 O OE1 . GLU B 2 61 ? 39.579 -24.56 -20.125 1 117.076 ? 55 GLU B OE1 1 2 +ATOM 2086 O OE2 . GLU B 2 61 ? 37.866 -24.843 -21.46 1 101.104 ? 55 GLU B OE2 1 2 +ATOM 2087 N N . SER B 2 62 ? 41.741 -25.556 -23.392 1 85.535 ? 56 SER B N 1 2 +ATOM 2088 C CA . SER B 2 62 ? 41.678 -26.542 -24.46 1 88.034 ? 56 SER B CA 1 2 +ATOM 2089 C C . SER B 2 62 ? 41.147 -25.891 -25.731 1 80.221 ? 56 SER B C 1 2 +ATOM 2090 O O . SER B 2 62 ? 40.082 -25.287 -25.689 1 93.631 ? 56 SER B O 1 2 +ATOM 2091 C CB . SER B 2 62 ? 40.775 -27.708 -24.054 1 105.369 ? 56 SER B CB 1 2 +ATOM 2092 O OG . SER B 2 62 ? 40.65 -27.878 -22.637 1 110.982 ? 56 SER B OG 1 2 +ATOM 2093 N N . GLY B 2 63 ? 41.888 -26.01 -26.842 1 77.7 ? 57 GLY B N 1 2 +ATOM 2094 C CA . GLY B 2 63 ? 41.466 -25.528 -28.155 1 77.989 ? 57 GLY B CA 1 2 +ATOM 2095 C C . GLY B 2 63 ? 41.833 -24.063 -28.434 1 81.549 ? 57 GLY B C 1 2 +ATOM 2096 O O . GLY B 2 63 ? 41.648 -23.577 -29.53 1 84.763 ? 57 GLY B O 1 2 +ATOM 2097 N N . VAL B 2 64 ? 42.336 -23.323 -27.448 1 85.708 ? 58 VAL B N 1 2 +ATOM 2098 C CA . VAL B 2 64 ? 42.789 -21.963 -27.687 1 79.622 ? 58 VAL B CA 1 2 +ATOM 2099 C C . VAL B 2 64 ? 44.151 -22.021 -28.386 1 75.181 ? 58 VAL B C 1 2 +ATOM 2100 O O . VAL B 2 64 ? 45.057 -22.726 -27.947 1 71.727 ? 58 VAL B O 1 2 +ATOM 2101 C CB . VAL B 2 64 ? 42.84 -21.178 -26.362 1 83.19 ? 58 VAL B CB 1 2 +ATOM 2102 C CG1 . VAL B 2 64 ? 43.472 -19.8 -26.54 1 85.67 ? 58 VAL B CG1 1 2 +ATOM 2103 C CG2 . VAL B 2 64 ? 41.454 -21.063 -25.735 1 80.91 ? 58 VAL B CG2 1 2 +ATOM 2104 N N . PRO B 2 65 ? 44.329 -21.314 -29.522 1 64.374 ? 59 PRO B N 1 2 +ATOM 2105 C CA . PRO B 2 65 ? 45.567 -21.387 -30.298 1 65.661 ? 59 PRO B CA 1 2 +ATOM 2106 C C . PRO B 2 65 ? 46.798 -20.918 -29.543 1 73.487 ? 59 PRO B C 1 2 +ATOM 2107 O O . PRO B 2 65 ? 46.669 -20.129 -28.613 1 66.721 ? 59 PRO B O 1 2 +ATOM 2108 C CB . PRO B 2 65 ? 45.305 -20.485 -31.479 1 67.785 ? 59 PRO B CB 1 2 +ATOM 2109 C CG . PRO B 2 65 ? 43.802 -20.464 -31.581 1 72.451 ? 59 PRO B CG 1 2 +ATOM 2110 C CD . PRO B 2 65 ? 43.315 -20.473 -30.159 1 68.406 ? 59 PRO B CD 1 2 +ATOM 2111 N N . ASP B 2 66 ? 47.957 -21.399 -30.024 1 89.766 ? 60 ASP B N 1 2 +ATOM 2112 C CA . ASP B 2 66 ? 49.29 -21.162 -29.481 1 88.747 ? 60 ASP B CA 1 2 +ATOM 2113 C C . ASP B 2 66 ? 49.581 -19.661 -29.338 1 81.517 ? 60 ASP B C 1 2 +ATOM 2114 O O . ASP B 2 66 ? 50.414 -19.281 -28.51 1 84.081 ? 60 ASP B O 1 2 +ATOM 2115 C CB . ASP B 2 66 ? 50.362 -21.877 -30.323 1 102.495 ? 60 ASP B CB 1 2 +ATOM 2116 C CG . ASP B 2 66 ? 50.621 -21.434 -31.775 1 115.874 ? 60 ASP B CG 1 2 +ATOM 2117 O OD1 . ASP B 2 66 ? 49.699 -20.863 -32.425 1 124.178 ? 60 ASP B OD1 1 2 +ATOM 2118 O OD2 . ASP B 2 66 ? 51.768 -21.634 -32.27 1 97.294 ? 60 ASP B OD2 1 2 +ATOM 2119 N N . ARG B 2 67 ? 48.919 -18.804 -30.143 1 79.229 ? 61 ARG B N 1 2 +ATOM 2120 C CA . ARG B 2 67 ? 49.227 -17.372 -30.229 1 80.06 ? 61 ARG B CA 1 2 +ATOM 2121 C C . ARG B 2 67 ? 48.76 -16.602 -28.991 1 76.333 ? 61 ARG B C 1 2 +ATOM 2122 O O . ARG B 2 67 ? 49.369 -15.617 -28.613 1 86.249 ? 61 ARG B O 1 2 +ATOM 2123 C CB . ARG B 2 67 ? 48.664 -16.687 -31.485 1 77.72 ? 61 ARG B CB 1 2 +ATOM 2124 C CG . ARG B 2 67 ? 47.155 -16.731 -31.657 1 78.709 ? 61 ARG B CG 1 2 +ATOM 2125 C CD . ARG B 2 67 ? 46.69 -16.043 -32.918 1 73.621 ? 61 ARG B CD 1 2 +ATOM 2126 N NE . ARG B 2 67 ? 45.239 -16.176 -33.113 1 71.642 ? 61 ARG B NE 1 2 +ATOM 2127 C CZ . ARG B 2 67 ? 44.625 -17.21 -33.656 1 77.387 ? 61 ARG B CZ 1 2 +ATOM 2128 N NH1 . ARG B 2 67 ? 45.338 -18.22 -34.105 1 87.315 ? 61 ARG B NH1 1 2 +ATOM 2129 N NH2 . ARG B 2 67 ? 43.31 -17.226 -33.782 1 83.237 ? 61 ARG B NH2 1 2 +ATOM 2130 N N . PHE B 2 68 ? 47.694 -17.051 -28.335 1 76.538 ? 62 PHE B N 1 2 +ATOM 2131 C CA . PHE B 2 68 ? 47.255 -16.436 -27.095 1 75.282 ? 62 PHE B CA 1 2 +ATOM 2132 C C . PHE B 2 68 ? 48.16 -16.914 -25.965 1 71.597 ? 62 PHE B C 1 2 +ATOM 2133 O O . PHE B 2 68 ? 48.434 -18.1 -25.843 1 78.143 ? 62 PHE B O 1 2 +ATOM 2134 C CB . PHE B 2 68 ? 45.788 -16.751 -26.804 1 84.588 ? 62 PHE B CB 1 2 +ATOM 2135 C CG . PHE B 2 68 ? 44.822 -16.156 -27.819 1 80.738 ? 62 PHE B CG 1 2 +ATOM 2136 C CD1 . PHE B 2 68 ? 44.505 -16.85 -28.975 1 84.313 ? 62 PHE B CD1 1 2 +ATOM 2137 C CD2 . PHE B 2 68 ? 44.26 -14.906 -27.623 1 79.438 ? 62 PHE B CD2 1 2 +ATOM 2138 C CE1 . PHE B 2 68 ? 43.627 -16.318 -29.897 1 87.431 ? 62 PHE B CE1 1 2 +ATOM 2139 C CE2 . PHE B 2 68 ? 43.376 -14.38 -28.542 1 89.262 ? 62 PHE B CE2 1 2 +ATOM 2140 C CZ . PHE B 2 68 ? 43.053 -15.09 -29.672 1 94.548 ? 62 PHE B CZ 1 2 +ATOM 2141 N N . SER B 2 69 ? 48.628 -15.973 -25.139 1 77.276 ? 63 SER B N 1 2 +ATOM 2142 C CA . SER B 2 69 ? 49.561 -16.268 -24.062 1 76.593 ? 63 SER B CA 1 2 +ATOM 2143 C C . SER B 2 69 ? 49.429 -15.246 -22.94 1 76.111 ? 63 SER B C 1 2 +ATOM 2144 O O . SER B 2 69 ? 49.684 -14.057 -23.128 1 71.908 ? 63 SER B O 1 2 +ATOM 2145 C CB . SER B 2 69 ? 50.985 -16.333 -24.568 1 83.137 ? 63 SER B CB 1 2 +ATOM 2146 O OG . SER B 2 69 ? 51.258 -15.374 -25.59 1 88.742 ? 63 SER B OG 1 2 +ATOM 2147 N N . GLY B 2 70 ? 49.074 -15.73 -21.748 1 89.306 ? 64 GLY B N 1 2 +ATOM 2148 C CA . GLY B 2 70 ? 49.01 -14.874 -20.569 1 101.329 ? 64 GLY B CA 1 2 +ATOM 2149 C C . GLY B 2 70 ? 50.341 -14.846 -19.815 1 97.914 ? 64 GLY B C 1 2 +ATOM 2150 O O . GLY B 2 70 ? 51.083 -15.824 -19.853 1 102.881 ? 64 GLY B O 1 2 +ATOM 2151 N N . SER B 2 71 ? 50.627 -13.745 -19.104 1 103.444 ? 65 SER B N 1 2 +ATOM 2152 C CA . SER B 2 71 ? 51.891 -13.596 -18.385 1 109.402 ? 65 SER B CA 1 2 +ATOM 2153 C C . SER B 2 71 ? 51.752 -12.609 -17.226 1 99.46 ? 65 SER B C 1 2 +ATOM 2154 O O . SER B 2 71 ? 50.875 -11.745 -17.255 1 100.641 ? 65 SER B O 1 2 +ATOM 2155 C CB . SER B 2 71 ? 53.009 -13.176 -19.313 1 115.628 ? 65 SER B CB 1 2 +ATOM 2156 O OG . SER B 2 71 ? 52.629 -12.051 -20.097 1 124.107 ? 65 SER B OG 1 2 +ATOM 2157 N N . GLY B 2 72 ? 52.615 -12.765 -16.208 1 88.827 ? 66 GLY B N 1 2 +ATOM 2158 C CA . GLY B 2 72 ? 52.636 -11.859 -15.066 1 91.903 ? 66 GLY B CA 1 2 +ATOM 2159 C C . GLY B 2 72 ? 52.189 -12.523 -13.763 1 90.648 ? 66 GLY B C 1 2 +ATOM 2160 O O . GLY B 2 72 ? 51.726 -13.653 -13.76 1 81.295 ? 66 GLY B O 1 2 +ATOM 2161 N N . SER B 2 73 ? 52.354 -11.807 -12.646 1 104.299 ? 67 SER B N 1 2 +ATOM 2162 C CA . SER B 2 73 ? 51.991 -12.304 -11.325 1 111.292 ? 67 SER B CA 1 2 +ATOM 2163 C C . SER B 2 73 ? 51.757 -11.117 -10.39 1 119.088 ? 67 SER B C 1 2 +ATOM 2164 O O . SER B 2 73 ? 52.174 -9.994 -10.673 1 126.987 ? 67 SER B O 1 2 +ATOM 2165 C CB . SER B 2 73 ? 53.024 -13.29 -10.76 1 106.289 ? 67 SER B CB 1 2 +ATOM 2166 O OG . SER B 2 73 ? 54.129 -12.645 -10.16 1 113.105 ? 67 SER B OG 1 2 +ATOM 2167 N N . GLY B 2 74 ? 51.057 -11.367 -9.281 1 117.856 ? 68 GLY B N 1 2 +ATOM 2168 C CA . GLY B 2 74 ? 50.803 -10.32 -8.309 1 112.958 ? 68 GLY B CA 1 2 +ATOM 2169 C C . GLY B 2 74 ? 49.646 -9.422 -8.741 1 109.056 ? 68 GLY B C 1 2 +ATOM 2170 O O . GLY B 2 74 ? 48.488 -9.792 -8.543 1 106.132 ? 68 GLY B O 1 2 +ATOM 2171 N N . THR B 2 75 ? 49.961 -8.251 -9.326 1 103.994 ? 69 THR B N 1 2 +ATOM 2172 C CA . THR B 2 75 ? 48.93 -7.267 -9.643 1 103.995 ? 69 THR B CA 1 2 +ATOM 2173 C C . THR B 2 75 ? 48.959 -6.895 -11.119 1 108.922 ? 69 THR B C 1 2 +ATOM 2174 O O . THR B 2 75 ? 47.917 -6.514 -11.635 1 131.842 ? 69 THR B O 1 2 +ATOM 2175 C CB . THR B 2 75 ? 49.002 -6 -8.78 1 94.522 ? 69 THR B CB 1 2 +ATOM 2176 O OG1 . THR B 2 75 ? 50.297 -5.434 -8.906 1 110.908 ? 69 THR B OG1 1 2 +ATOM 2177 C CG2 . THR B 2 75 ? 48.747 -6.244 -7.304 1 85.285 ? 69 THR B CG2 1 2 +ATOM 2178 N N . ASP B 2 76 ? 50.114 -6.971 -11.803 1 113.676 ? 70 ASP B N 1 2 +ATOM 2179 C CA . ASP B 2 76 ? 50.164 -6.638 -13.228 1 124.507 ? 70 ASP B CA 1 2 +ATOM 2180 C C . ASP B 2 76 ? 50.247 -7.918 -14.062 1 107.748 ? 70 ASP B C 1 2 +ATOM 2181 O O . ASP B 2 76 ? 51.001 -8.831 -13.74 1 105.114 ? 70 ASP B O 1 2 +ATOM 2182 C CB . ASP B 2 76 ? 51.183 -5.56 -13.596 1 136.228 ? 70 ASP B CB 1 2 +ATOM 2183 C CG . ASP B 2 76 ? 52.534 -5.578 -12.897 1 144.412 ? 70 ASP B CG 1 2 +ATOM 2184 O OD1 . ASP B 2 76 ? 52.867 -6.607 -12.266 1 174.407 ? 70 ASP B OD1 1 2 +ATOM 2185 O OD2 . ASP B 2 76 ? 53.233 -4.54 -12.963 1 130.848 ? 70 ASP B OD2 1 2 +ATOM 2186 N N . PHE B 2 77 ? 49.435 -7.959 -15.131 1 104.712 ? 71 PHE B N 1 2 +ATOM 2187 C CA . PHE B 2 77 ? 49.289 -9.112 -16.007 1 102.379 ? 71 PHE B CA 1 2 +ATOM 2188 C C . PHE B 2 77 ? 49.223 -8.645 -17.463 1 99.513 ? 71 PHE B C 1 2 +ATOM 2189 O O . PHE B 2 77 ? 48.993 -7.458 -17.722 1 118.229 ? 71 PHE B O 1 2 +ATOM 2190 C CB . PHE B 2 77 ? 48.015 -9.882 -15.635 1 98.164 ? 71 PHE B CB 1 2 +ATOM 2191 C CG . PHE B 2 77 ? 48.072 -10.558 -14.277 1 85.949 ? 71 PHE B CG 1 2 +ATOM 2192 C CD1 . PHE B 2 77 ? 48.647 -11.808 -14.129 1 82.615 ? 71 PHE B CD1 1 2 +ATOM 2193 C CD2 . PHE B 2 77 ? 47.55 -9.932 -13.157 1 90.518 ? 71 PHE B CD2 1 2 +ATOM 2194 C CE1 . PHE B 2 77 ? 48.707 -12.412 -12.886 1 88.799 ? 71 PHE B CE1 1 2 +ATOM 2195 C CE2 . PHE B 2 77 ? 47.613 -10.541 -11.917 1 95.809 ? 71 PHE B CE2 1 2 +ATOM 2196 C CZ . PHE B 2 77 ? 48.185 -11.786 -11.785 1 90.325 ? 71 PHE B CZ 1 2 +ATOM 2197 N N . THR B 2 78 ? 49.378 -9.591 -18.408 1 84.672 ? 72 THR B N 1 2 +ATOM 2198 C CA . THR B 2 78 ? 49.406 -9.254 -19.824 1 75.258 ? 72 THR B CA 1 2 +ATOM 2199 C C . THR B 2 78 ? 48.878 -10.402 -20.679 1 75.95 ? 72 THR B C 1 2 +ATOM 2200 O O . THR B 2 78 ? 49.304 -11.537 -20.522 1 83.528 ? 72 THR B O 1 2 +ATOM 2201 C CB . THR B 2 78 ? 50.84 -8.914 -20.223 1 76.154 ? 72 THR B CB 1 2 +ATOM 2202 O OG1 . THR B 2 78 ? 51.181 -7.722 -19.53 1 85.79 ? 72 THR B OG1 1 2 +ATOM 2203 C CG2 . THR B 2 78 ? 51.003 -8.668 -21.709 1 74.858 ? 72 THR B CG2 1 2 +ATOM 2204 N N . LEU B 2 79 ? 47.986 -10.079 -21.622 1 77.948 ? 73 LEU B N 1 2 +ATOM 2205 C CA . LEU B 2 79 ? 47.541 -11.01 -22.654 1 78.49 ? 73 LEU B CA 1 2 +ATOM 2206 C C . LEU B 2 79 ? 48.283 -10.67 -23.945 1 74.59 ? 73 LEU B C 1 2 +ATOM 2207 O O . LEU B 2 79 ? 48.323 -9.509 -24.331 1 77.574 ? 73 LEU B O 1 2 +ATOM 2208 C CB . LEU B 2 79 ? 46.025 -10.933 -22.858 1 76.019 ? 73 LEU B CB 1 2 +ATOM 2209 C CG . LEU B 2 79 ? 45.452 -11.691 -24.065 1 78.391 ? 73 LEU B CG 1 2 +ATOM 2210 C CD1 . LEU B 2 79 ? 45.669 -13.187 -23.957 1 81.753 ? 73 LEU B CD1 1 2 +ATOM 2211 C CD2 . LEU B 2 79 ? 43.982 -11.407 -24.214 1 80.123 ? 73 LEU B CD2 1 2 +ATOM 2212 N N . THR B 2 80 ? 48.836 -11.675 -24.635 1 72.436 ? 74 THR B N 1 2 +ATOM 2213 C CA . THR B 2 80 ? 49.562 -11.42 -25.873 1 80.146 ? 74 THR B CA 1 2 +ATOM 2214 C C . THR B 2 80 ? 49 -12.271 -27.014 1 74.803 ? 74 THR B C 1 2 +ATOM 2215 O O . THR B 2 80 ? 48.982 -13.491 -26.939 1 95.03 ? 74 THR B O 1 2 +ATOM 2216 C CB . THR B 2 80 ? 51.067 -11.661 -25.685 1 81.585 ? 74 THR B CB 1 2 +ATOM 2217 O OG1 . THR B 2 80 ? 51.456 -10.917 -24.535 1 89.689 ? 74 THR B OG1 1 2 +ATOM 2218 C CG2 . THR B 2 80 ? 51.895 -11.24 -26.889 1 77.749 ? 74 THR B CG2 1 2 +ATOM 2219 N N . ILE B 2 81 ? 48.611 -11.594 -28.097 1 68.07 ? 75 ILE B N 1 2 +ATOM 2220 C CA . ILE B 2 81 ? 48.278 -12.237 -29.348 1 67.115 ? 75 ILE B CA 1 2 +ATOM 2221 C C . ILE B 2 81 ? 49.449 -12.047 -30.308 1 69.387 ? 75 ILE B C 1 2 +ATOM 2222 O O . ILE B 2 81 ? 49.657 -10.959 -30.817 1 79.391 ? 75 ILE B O 1 2 +ATOM 2223 C CB . ILE B 2 81 ? 46.957 -11.66 -29.886 1 65.906 ? 75 ILE B CB 1 2 +ATOM 2224 C CG1 . ILE B 2 81 ? 45.878 -11.61 -28.781 1 63.82 ? 75 ILE B CG1 1 2 +ATOM 2225 C CG2 . ILE B 2 81 ? 46.516 -12.459 -31.124 1 74.201 ? 75 ILE B CG2 1 2 +ATOM 2226 C CD1 . ILE B 2 81 ? 44.555 -11.033 -29.22 1 62.79 ? 75 ILE B CD1 1 2 +ATOM 2227 N N . SER B 2 82 ? 50.21 -13.111 -30.557 1 78.484 ? 76 SER B N 1 2 +ATOM 2228 C CA . SER B 2 82 ? 51.456 -13.055 -31.311 1 83.177 ? 76 SER B CA 1 2 +ATOM 2229 C C . SER B 2 82 ? 51.23 -12.636 -32.761 1 87.493 ? 76 SER B C 1 2 +ATOM 2230 O O . SER B 2 82 ? 51.998 -11.862 -33.332 1 97.932 ? 76 SER B O 1 2 +ATOM 2231 C CB . SER B 2 82 ? 52.16 -14.385 -31.27 1 85.312 ? 76 SER B CB 1 2 +ATOM 2232 O OG . SER B 2 82 ? 52.396 -14.775 -29.922 1 109.232 ? 76 SER B OG 1 2 +ATOM 2233 N N . SER B 2 83 ? 50.203 -13.212 -33.38 1 91.225 ? 77 SER B N 1 2 +ATOM 2234 C CA . SER B 2 83 ? 49.948 -13.029 -34.799 1 89.896 ? 77 SER B CA 1 2 +ATOM 2235 C C . SER B 2 83 ? 48.456 -12.778 -34.927 1 87.181 ? 77 SER B C 1 2 +ATOM 2236 O O . SER B 2 83 ? 47.674 -13.719 -34.939 1 93.946 ? 77 SER B O 1 2 +ATOM 2237 C CB . SER B 2 83 ? 50.409 -14.247 -35.606 1 92.757 ? 77 SER B CB 1 2 +ATOM 2238 O OG . SER B 2 83 ? 50.503 -14.009 -37.005 1 105.368 ? 77 SER B OG 1 2 +ATOM 2239 N N . LEU B 2 84 ? 48.059 -11.505 -34.909 1 90.112 ? 78 LEU B N 1 2 +ATOM 2240 C CA . LEU B 2 84 ? 46.641 -11.174 -34.864 1 79.932 ? 78 LEU B CA 1 2 +ATOM 2241 C C . LEU B 2 84 ? 45.952 -11.667 -36.137 1 80.621 ? 78 LEU B C 1 2 +ATOM 2242 O O . LEU B 2 84 ? 46.4 -11.385 -37.252 1 77.653 ? 78 LEU B O 1 2 +ATOM 2243 C CB . LEU B 2 84 ? 46.457 -9.673 -34.663 1 79.178 ? 78 LEU B CB 1 2 +ATOM 2244 C CG . LEU B 2 84 ? 45.032 -9.207 -34.354 1 81.673 ? 78 LEU B CG 1 2 +ATOM 2245 C CD1 . LEU B 2 84 ? 44.47 -9.677 -33.037 1 80.441 ? 78 LEU B CD1 1 2 +ATOM 2246 C CD2 . LEU B 2 84 ? 45.06 -7.701 -34.372 1 105.288 ? 78 LEU B CD2 1 2 +ATOM 2247 N N . GLN B 2 85 ? 44.836 -12.381 -35.945 1 84.973 ? 79 GLN B N 1 2 +ATOM 2248 C CA . GLN B 2 85 ? 44.056 -12.925 -37.046 1 89.748 ? 79 GLN B CA 1 2 +ATOM 2249 C C . GLN B 2 85 ? 42.777 -12.119 -37.178 1 77.292 ? 79 GLN B C 1 2 +ATOM 2250 O O . GLN B 2 85 ? 42.355 -11.501 -36.218 1 71.402 ? 79 GLN B O 1 2 +ATOM 2251 C CB . GLN B 2 85 ? 43.697 -14.39 -36.79 1 100.67 ? 79 GLN B CB 1 2 +ATOM 2252 C CG . GLN B 2 85 ? 44.915 -15.294 -36.65 1 98.484 ? 79 GLN B CG 1 2 +ATOM 2253 C CD . GLN B 2 85 ? 45.703 -15.361 -37.929 1 93.604 ? 79 GLN B CD 1 2 +ATOM 2254 O OE1 . GLN B 2 85 ? 45.24 -15.954 -38.906 1 93.612 ? 79 GLN B OE1 1 2 +ATOM 2255 N NE2 . GLN B 2 85 ? 46.878 -14.745 -37.936 1 96.058 ? 79 GLN B NE2 1 2 +ATOM 2256 N N . ALA B 2 86 ? 42.156 -12.17 -38.36 1 84.956 ? 80 ALA B N 1 2 +ATOM 2257 C CA . ALA B 2 86 ? 40.886 -11.493 -38.581 1 86.533 ? 80 ALA B CA 1 2 +ATOM 2258 C C . ALA B 2 86 ? 39.849 -11.989 -37.575 1 79.452 ? 80 ALA B C 1 2 +ATOM 2259 O O . ALA B 2 86 ? 39.111 -11.198 -37.006 1 71.656 ? 80 ALA B O 1 2 +ATOM 2260 C CB . ALA B 2 86 ? 40.424 -11.719 -40.003 1 90.794 ? 80 ALA B CB 1 2 +ATOM 2261 N N . GLU B 2 87 ? 39.835 -13.309 -37.37 1 81.098 ? 81 GLU B N 1 2 +ATOM 2262 C CA . GLU B 2 87 ? 38.957 -13.997 -36.441 1 84.874 ? 81 GLU B CA 1 2 +ATOM 2263 C C . GLU B 2 87 ? 39.256 -13.646 -34.983 1 82.877 ? 81 GLU B C 1 2 +ATOM 2264 O O . GLU B 2 87 ? 38.671 -14.251 -34.102 1 92.502 ? 81 GLU B O 1 2 +ATOM 2265 C CB . GLU B 2 87 ? 39.042 -15.52 -36.622 1 99.43 ? 81 GLU B CB 1 2 +ATOM 2266 C CG . GLU B 2 87 ? 40.438 -16.07 -36.932 1 123.072 ? 81 GLU B CG 1 2 +ATOM 2267 C CD . GLU B 2 87 ? 40.855 -16.16 -38.412 1 145.256 ? 81 GLU B CD 1 2 +ATOM 2268 O OE1 . GLU B 2 87 ? 41.954 -16.729 -38.69 1 139.378 ? 81 GLU B OE1 1 2 +ATOM 2269 O OE2 . GLU B 2 87 ? 40.098 -15.674 -39.305 1 125.52 ? 81 GLU B OE2 1 2 +ATOM 2270 N N . ASP B 2 88 ? 40.126 -12.676 -34.691 1 81.786 ? 82 ASP B N 1 2 +ATOM 2271 C CA . ASP B 2 88 ? 40.447 -12.343 -33.307 1 82.556 ? 82 ASP B CA 1 2 +ATOM 2272 C C . ASP B 2 88 ? 39.888 -10.978 -32.897 1 81.367 ? 82 ASP B C 1 2 +ATOM 2273 O O . ASP B 2 88 ? 40.104 -10.528 -31.76 1 67.98 ? 82 ASP B O 1 2 +ATOM 2274 C CB . ASP B 2 88 ? 41.95 -12.336 -33.069 1 84.031 ? 82 ASP B CB 1 2 +ATOM 2275 C CG . ASP B 2 88 ? 42.64 -13.683 -33.189 1 81.955 ? 82 ASP B CG 1 2 +ATOM 2276 O OD1 . ASP B 2 88 ? 41.961 -14.724 -32.994 1 90.724 ? 82 ASP B OD1 1 2 +ATOM 2277 O OD2 . ASP B 2 88 ? 43.838 -13.673 -33.5 1 86.149 ? 82 ASP B OD2 1 2 +ATOM 2278 N N . VAL B 2 89 ? 39.198 -10.302 -33.824 1 78.013 ? 83 VAL B N 1 2 +ATOM 2279 C CA . VAL B 2 89 ? 38.602 -9.015 -33.511 1 81.419 ? 83 VAL B CA 1 2 +ATOM 2280 C C . VAL B 2 89 ? 37.47 -9.233 -32.508 1 72.727 ? 83 VAL B C 1 2 +ATOM 2281 O O . VAL B 2 89 ? 36.416 -9.782 -32.85 1 67.221 ? 83 VAL B O 1 2 +ATOM 2282 C CB . VAL B 2 89 ? 38.134 -8.298 -34.787 1 86.518 ? 83 VAL B CB 1 2 +ATOM 2283 C CG1 . VAL B 2 89 ? 37.301 -7.055 -34.486 1 88.994 ? 83 VAL B CG1 1 2 +ATOM 2284 C CG2 . VAL B 2 89 ? 39.325 -7.949 -35.67 1 88.858 ? 83 VAL B CG2 1 2 +ATOM 2285 N N . ALA B 2 90 ? 37.735 -8.811 -31.263 1 65.319 ? 84 ALA B N 1 2 +ATOM 2286 C CA . ALA B 2 90 ? 36.802 -8.994 -30.163 1 66.285 ? 84 ALA B CA 1 2 +ATOM 2287 C C . ALA B 2 90 ? 37.133 -8.02 -29.029 1 66.702 ? 84 ALA B C 1 2 +ATOM 2288 O O . ALA B 2 90 ? 38.126 -7.305 -29.097 1 74.942 ? 84 ALA B O 1 2 +ATOM 2289 C CB . ALA B 2 90 ? 36.856 -10.433 -29.707 1 61.899 ? 84 ALA B CB 1 2 +ATOM 2290 N N . VAL B 2 91 ? 36.306 -8.002 -27.979 1 57.018 ? 85 VAL B N 1 2 +ATOM 2291 C CA . VAL B 2 91 ? 36.65 -7.266 -26.774 1 62.974 ? 85 VAL B CA 1 2 +ATOM 2292 C C . VAL B 2 91 ? 37.216 -8.254 -25.763 1 66.2 ? 85 VAL B C 1 2 +ATOM 2293 O O . VAL B 2 91 ? 36.551 -9.227 -25.436 1 80.392 ? 85 VAL B O 1 2 +ATOM 2294 C CB . VAL B 2 91 ? 35.476 -6.482 -26.155 1 66.252 ? 85 VAL B CB 1 2 +ATOM 2295 C CG1 . VAL B 2 91 ? 35.893 -5.687 -24.91 1 60.607 ? 85 VAL B CG1 1 2 +ATOM 2296 C CG2 . VAL B 2 91 ? 34.838 -5.572 -27.198 1 70.406 ? 85 VAL B CG2 1 2 +ATOM 2297 N N . TYR B 2 92 ? 38.421 -7.98 -25.245 1 67.789 ? 86 TYR B N 1 2 +ATOM 2298 C CA . TYR B 2 92 ? 39.043 -8.856 -24.262 1 74.814 ? 86 TYR B CA 1 2 +ATOM 2299 C C . TYR B 2 92 ? 38.784 -8.343 -22.844 1 77.233 ? 86 TYR B C 1 2 +ATOM 2300 O O . TYR B 2 92 ? 38.855 -7.151 -22.588 1 89.895 ? 86 TYR B O 1 2 +ATOM 2301 C CB . TYR B 2 92 ? 40.519 -9.011 -24.642 1 78.44 ? 86 TYR B CB 1 2 +ATOM 2302 C CG . TYR B 2 92 ? 40.658 -9.695 -25.995 1 76.475 ? 86 TYR B CG 1 2 +ATOM 2303 C CD1 . TYR B 2 92 ? 40.526 -8.971 -27.174 1 72.059 ? 86 TYR B CD1 1 2 +ATOM 2304 C CD2 . TYR B 2 92 ? 40.864 -11.071 -26.092 1 73.145 ? 86 TYR B CD2 1 2 +ATOM 2305 C CE1 . TYR B 2 92 ? 40.635 -9.592 -28.41 1 74.578 ? 86 TYR B CE1 1 2 +ATOM 2306 C CE2 . TYR B 2 92 ? 40.95 -11.701 -27.324 1 72.053 ? 86 TYR B CE2 1 2 +ATOM 2307 C CZ . TYR B 2 92 ? 40.825 -10.962 -28.485 1 70.302 ? 86 TYR B CZ 1 2 +ATOM 2308 O OH . TYR B 2 92 ? 40.893 -11.586 -29.694 1 69.21 ? 86 TYR B OH 1 2 +ATOM 2309 N N . TYR B 2 93 ? 38.496 -9.262 -21.915 1 77.095 ? 87 TYR B N 1 2 +ATOM 2310 C CA . TYR B 2 93 ? 38.247 -8.923 -20.519 1 69.255 ? 87 TYR B CA 1 2 +ATOM 2311 C C . TYR B 2 93 ? 39.18 -9.757 -19.649 1 72.021 ? 87 TYR B C 1 2 +ATOM 2312 O O . TYR B 2 93 ? 39.382 -10.947 -19.899 1 90.548 ? 87 TYR B O 1 2 +ATOM 2313 C CB . TYR B 2 93 ? 36.807 -9.185 -20.065 1 64.141 ? 87 TYR B CB 1 2 +ATOM 2314 C CG . TYR B 2 93 ? 35.745 -8.369 -20.787 1 67.787 ? 87 TYR B CG 1 2 +ATOM 2315 C CD1 . TYR B 2 93 ? 35.194 -8.776 -22.003 1 68.661 ? 87 TYR B CD1 1 2 +ATOM 2316 C CD2 . TYR B 2 93 ? 35.292 -7.179 -20.246 1 78.634 ? 87 TYR B CD2 1 2 +ATOM 2317 C CE1 . TYR B 2 93 ? 34.233 -8.022 -22.663 1 71.018 ? 87 TYR B CE1 1 2 +ATOM 2318 C CE2 . TYR B 2 93 ? 34.334 -6.407 -20.891 1 85.645 ? 87 TYR B CE2 1 2 +ATOM 2319 C CZ . TYR B 2 93 ? 33.795 -6.84 -22.095 1 78.188 ? 87 TYR B CZ 1 2 +ATOM 2320 O OH . TYR B 2 93 ? 32.85 -6.104 -22.726 1 70.705 ? 87 TYR B OH 1 2 +ATOM 2321 N N . CYS B 2 94 ? 39.725 -9.126 -18.606 1 78.515 ? 88 CYS B N 1 2 +ATOM 2322 C CA . CYS B 2 94 ? 40.446 -9.84 -17.565 1 80.193 ? 88 CYS B CA 1 2 +ATOM 2323 C C . CYS B 2 94 ? 39.516 -10.019 -16.361 1 85.306 ? 88 CYS B C 1 2 +ATOM 2324 O O . CYS B 2 94 ? 38.544 -9.278 -16.202 1 72.926 ? 88 CYS B O 1 2 +ATOM 2325 C CB . CYS B 2 94 ? 41.758 -9.136 -17.241 1 78.345 ? 88 CYS B CB 1 2 +ATOM 2326 S SG . CYS B 2 94 ? 41.61 -7.63 -16.242 0.89 74.993 ? 88 CYS B SG 1 2 +ATOM 2327 N N . GLN B 2 95 ? 39.801 -11.02 -15.518 1 83.164 ? 89 GLN B N 1 2 +ATOM 2328 C CA . GLN B 2 95 ? 38.907 -11.316 -14.416 1 84.127 ? 89 GLN B CA 1 2 +ATOM 2329 C C . GLN B 2 95 ? 39.695 -11.957 -13.285 1 76.92 ? 89 GLN B C 1 2 +ATOM 2330 O O . GLN B 2 95 ? 40.411 -12.916 -13.524 1 69.99 ? 89 GLN B O 1 2 +ATOM 2331 C CB . GLN B 2 95 ? 37.793 -12.263 -14.866 1 87.656 ? 89 GLN B CB 1 2 +ATOM 2332 C CG . GLN B 2 95 ? 36.769 -12.571 -13.776 1 104.48 ? 89 GLN B CG 1 2 +ATOM 2333 C CD . GLN B 2 95 ? 36.469 -14.052 -13.63 1 113.27 ? 89 GLN B CD 1 2 +ATOM 2334 O OE1 . GLN B 2 95 ? 36.965 -14.887 -14.391 1 114.168 ? 89 GLN B OE1 1 2 +ATOM 2335 N NE2 . GLN B 2 95 ? 35.675 -14.412 -12.629 1 114.969 ? 89 GLN B NE2 1 2 +ATOM 2336 N N . GLN B 2 96 ? 39.503 -11.459 -12.053 1 79.947 ? 90 GLN B N 1 2 +ATOM 2337 C CA . GLN B 2 96 ? 40.007 -12.147 -10.868 1 77.865 ? 90 GLN B CA 1 2 +ATOM 2338 C C . GLN B 2 96 ? 38.962 -13.147 -10.363 1 79.541 ? 90 GLN B C 1 2 +ATOM 2339 O O . GLN B 2 96 ? 37.762 -12.856 -10.345 1 83.111 ? 90 GLN B O 1 2 +ATOM 2340 C CB . GLN B 2 96 ? 40.45 -11.168 -9.782 1 72.941 ? 90 GLN B CB 1 2 +ATOM 2341 C CG . GLN B 2 96 ? 39.305 -10.491 -9.039 1 80.669 ? 90 GLN B CG 1 2 +ATOM 2342 C CD . GLN B 2 96 ? 38.884 -11.211 -7.776 1 84.043 ? 90 GLN B CD 1 2 +ATOM 2343 O OE1 . GLN B 2 96 ? 39.628 -12.032 -7.23 1 83.011 ? 90 GLN B OE1 1 2 +ATOM 2344 N NE2 . GLN B 2 96 ? 37.687 -10.898 -7.293 1 88.47 ? 90 GLN B NE2 1 2 +ATOM 2345 N N . ASN B 2 97 ? 39.44 -14.346 -9.981 1 79.147 ? 91 ASN B N 1 2 +ATOM 2346 C CA . ASN B 2 97 ? 38.601 -15.351 -9.349 1 76.772 ? 91 ASN B CA 1 2 +ATOM 2347 C C . ASN B 2 97 ? 39.307 -15.893 -8.102 1 72.278 ? 91 ASN B C 1 2 +ATOM 2348 O O . ASN B 2 97 ? 39.131 -17.045 -7.752 1 66.474 ? 91 ASN B O 1 2 +ATOM 2349 C CB . ASN B 2 97 ? 38.129 -16.392 -10.365 1 73.757 ? 91 ASN B CB 1 2 +ATOM 2350 C CG . ASN B 2 97 ? 39.253 -17.133 -11.041 1 74.776 ? 91 ASN B CG 1 2 +ATOM 2351 O OD1 . ASN B 2 97 ? 40.409 -16.735 -10.978 1 80.9 ? 91 ASN B OD1 1 2 +ATOM 2352 N ND2 . ASN B 2 97 ? 38.948 -18.224 -11.708 1 85.931 ? 91 ASN B ND2 1 2 +ATOM 2353 N N . LEU B 2 98 ? 40.055 -15.039 -7.399 1 76.428 ? 92 LEU B N 1 2 +ATOM 2354 C CA . LEU B 2 98 ? 40.727 -15.412 -6.162 1 77.882 ? 92 LEU B CA 1 2 +ATOM 2355 C C . LEU B 2 98 ? 39.75 -15.389 -4.988 1 83.696 ? 92 LEU B C 1 2 +ATOM 2356 O O . LEU B 2 98 ? 39.728 -16.311 -4.187 1 98.157 ? 92 LEU B O 1 2 +ATOM 2357 C CB . LEU B 2 98 ? 41.864 -14.427 -5.911 1 74.626 ? 92 LEU B CB 1 2 +ATOM 2358 C CG . LEU B 2 98 ? 42.719 -14.683 -4.668 1 74.532 ? 92 LEU B CG 1 2 +ATOM 2359 C CD1 . LEU B 2 98 ? 43.928 -15.54 -4.97 1 80.072 ? 92 LEU B CD1 1 2 +ATOM 2360 C CD2 . LEU B 2 98 ? 43.122 -13.359 -4.062 1 75.209 ? 92 LEU B CD2 1 2 +ATOM 2361 N N . ARG B 2 99 ? 38.986 -14.302 -4.87 1 83.64 ? 93 ARG B N 1 2 +ATOM 2362 C CA . ARG B 2 99 ? 38.084 -14.073 -3.759 1 86.332 ? 93 ARG B CA 1 2 +ATOM 2363 C C . ARG B 2 99 ? 36.769 -13.517 -4.314 1 89.21 ? 93 ARG B C 1 2 +ATOM 2364 O O . ARG B 2 99 ? 36.785 -12.807 -5.319 1 102.289 ? 93 ARG B O 1 2 +ATOM 2365 C CB . ARG B 2 99 ? 38.767 -13.057 -2.828 1 94.928 ? 93 ARG B CB 1 2 +ATOM 2366 C CG . ARG B 2 99 ? 38.051 -12.841 -1.493 1 107.982 ? 93 ARG B CG 1 2 +ATOM 2367 C CD . ARG B 2 99 ? 38.405 -11.612 -0.662 1 102.67 ? 93 ARG B CD 1 2 +ATOM 2368 N NE . ARG B 2 99 ? 39.859 -11.443 -0.692 1 112.598 ? 93 ARG B NE 1 2 +ATOM 2369 C CZ . ARG B 2 99 ? 40.539 -10.312 -0.825 1 125.962 ? 93 ARG B CZ 1 2 +ATOM 2370 N NH1 . ARG B 2 99 ? 41.845 -10.376 -1.034 1 130.365 ? 93 ARG B NH1 1 2 +ATOM 2371 N NH2 . ARG B 2 99 ? 39.914 -9.146 -0.771 1 132.694 ? 93 ARG B NH2 1 2 +ATOM 2372 N N . PRO B 2 100 ? 35.586 -13.786 -3.706 1 81.666 ? 94 PRO B N 1 2 +ATOM 2373 C CA . PRO B 2 100 ? 34.359 -13.08 -4.066 1 81.663 ? 94 PRO B CA 1 2 +ATOM 2374 C C . PRO B 2 100 ? 34.359 -11.65 -3.524 1 88.151 ? 94 PRO B C 1 2 +ATOM 2375 O O . PRO B 2 100 ? 34.888 -11.4 -2.443 1 86.105 ? 94 PRO B O 1 2 +ATOM 2376 C CB . PRO B 2 100 ? 33.261 -13.933 -3.441 1 79.997 ? 94 PRO B CB 1 2 +ATOM 2377 C CG . PRO B 2 100 ? 33.919 -14.478 -2.204 1 84.031 ? 94 PRO B CG 1 2 +ATOM 2378 C CD . PRO B 2 100 ? 35.343 -14.786 -2.662 1 85.765 ? 94 PRO B CD 1 2 +ATOM 2379 N N . PRO B 2 101 ? 33.724 -10.679 -4.227 1 86.454 ? 95 PRO B N 1 2 +ATOM 2380 C CA . PRO B 2 101 ? 32.995 -10.955 -5.473 1 88.799 ? 95 PRO B CA 1 2 +ATOM 2381 C C . PRO B 2 101 ? 33.91 -10.992 -6.692 1 83.357 ? 95 PRO B C 1 2 +ATOM 2382 O O . PRO B 2 101 ? 34.858 -10.232 -6.749 1 83.735 ? 95 PRO B O 1 2 +ATOM 2383 C CB . PRO B 2 101 ? 31.982 -9.82 -5.533 1 90.207 ? 95 PRO B CB 1 2 +ATOM 2384 C CG . PRO B 2 101 ? 32.69 -8.679 -4.851 1 95.045 ? 95 PRO B CG 1 2 +ATOM 2385 C CD . PRO B 2 101 ? 33.626 -9.276 -3.808 1 85.144 ? 95 PRO B CD 1 2 +ATOM 2386 N N . GLU B 2 102 ? 33.659 -11.914 -7.623 1 84.466 ? 96 GLU B N 1 2 +ATOM 2387 C CA . GLU B 2 102 ? 34.497 -12.031 -8.802 1 92.187 ? 96 GLU B CA 1 2 +ATOM 2388 C C . GLU B 2 102 ? 34.331 -10.743 -9.606 1 86.188 ? 96 GLU B C 1 2 +ATOM 2389 O O . GLU B 2 102 ? 33.221 -10.267 -9.791 1 89.052 ? 96 GLU B O 1 2 +ATOM 2390 C CB . GLU B 2 102 ? 34.119 -13.285 -9.602 1 103.32 ? 96 GLU B CB 1 2 +ATOM 2391 C CG . GLU B 2 102 ? 34.576 -14.608 -8.987 1 104.362 ? 96 GLU B CG 1 2 +ATOM 2392 C CD . GLU B 2 102 ? 34.053 -15.882 -9.654 1 111.176 ? 96 GLU B CD 1 2 +ATOM 2393 O OE1 . GLU B 2 102 ? 32.954 -16.343 -9.267 1 104.863 ? 96 GLU B OE1 1 2 +ATOM 2394 O OE2 . GLU B 2 102 ? 34.733 -16.429 -10.564 1 119.257 ? 96 GLU B OE2 1 2 +ATOM 2395 N N . THR B 2 103 ? 35.431 -10.169 -10.096 1 82.744 ? 97 THR B N 1 2 +ATOM 2396 C CA . THR B 2 103 ? 35.347 -8.882 -10.766 1 76.983 ? 97 THR B CA 1 2 +ATOM 2397 C C . THR B 2 103 ? 36.066 -8.919 -12.107 1 77.581 ? 97 THR B C 1 2 +ATOM 2398 O O . THR B 2 103 ? 37.071 -9.599 -12.269 1 73.953 ? 97 THR B O 1 2 +ATOM 2399 C CB . THR B 2 103 ? 35.922 -7.797 -9.865 1 77.856 ? 97 THR B CB 1 2 +ATOM 2400 O OG1 . THR B 2 103 ? 37.163 -8.203 -9.301 1 75.936 ? 97 THR B OG1 1 2 +ATOM 2401 C CG2 . THR B 2 103 ? 35.005 -7.472 -8.703 1 85.539 ? 97 THR B CG2 1 2 +ATOM 2402 N N . PHE B 2 104 ? 35.532 -8.142 -13.054 1 83.418 ? 98 PHE B N 1 2 +ATOM 2403 C CA . PHE B 2 104 ? 36.062 -8.075 -14.405 1 84.766 ? 98 PHE B CA 1 2 +ATOM 2404 C C . PHE B 2 104 ? 36.721 -6.722 -14.701 1 80.432 ? 98 PHE B C 1 2 +ATOM 2405 O O . PHE B 2 104 ? 36.384 -5.714 -14.098 1 83.764 ? 98 PHE B O 1 2 +ATOM 2406 C CB . PHE B 2 104 ? 34.898 -8.254 -15.376 1 82.211 ? 98 PHE B CB 1 2 +ATOM 2407 C CG . PHE B 2 104 ? 34.399 -9.678 -15.501 1 72.054 ? 98 PHE B CG 1 2 +ATOM 2408 C CD1 . PHE B 2 104 ? 35.01 -10.561 -16.379 1 76.424 ? 98 PHE B CD1 1 2 +ATOM 2409 C CD2 . PHE B 2 104 ? 33.315 -10.107 -14.756 1 75.459 ? 98 PHE B CD2 1 2 +ATOM 2410 C CE1 . PHE B 2 104 ? 34.553 -11.861 -16.509 1 82.729 ? 98 PHE B CE1 1 2 +ATOM 2411 C CE2 . PHE B 2 104 ? 32.833 -11.391 -14.91 1 84.206 ? 98 PHE B CE2 1 2 +ATOM 2412 C CZ . PHE B 2 104 ? 33.456 -12.269 -15.782 1 84.69 ? 98 PHE B CZ 1 2 +ATOM 2413 N N . GLY B 2 105 ? 37.655 -6.7 -15.657 1 70.47 ? 99 GLY B N 1 2 +ATOM 2414 C CA . GLY B 2 105 ? 38.142 -5.463 -16.245 1 69.665 ? 99 GLY B CA 1 2 +ATOM 2415 C C . GLY B 2 105 ? 37.106 -4.831 -17.178 1 74.423 ? 99 GLY B C 1 2 +ATOM 2416 O O . GLY B 2 105 ? 36.087 -5.446 -17.535 1 66.409 ? 99 GLY B O 1 2 +ATOM 2417 N N . GLN B 2 106 ? 37.369 -3.573 -17.563 1 85.9 ? 100 GLN B N 1 2 +ATOM 2418 C CA . GLN B 2 106 ? 36.385 -2.812 -18.323 1 87.239 ? 100 GLN B CA 1 2 +ATOM 2419 C C . GLN B 2 106 ? 36.3 -3.326 -19.759 1 85.355 ? 100 GLN B C 1 2 +ATOM 2420 O O . GLN B 2 106 ? 35.301 -3.083 -20.439 1 91.694 ? 100 GLN B O 1 2 +ATOM 2421 C CB . GLN B 2 106 ? 36.623 -1.307 -18.281 1 80.715 ? 100 GLN B CB 1 2 +ATOM 2422 C CG . GLN B 2 106 ? 37.756 -0.828 -19.176 1 90.675 ? 100 GLN B CG 1 2 +ATOM 2423 C CD . GLN B 2 106 ? 39.111 -0.867 -18.508 1 95.421 ? 100 GLN B CD 1 2 +ATOM 2424 O OE1 . GLN B 2 106 ? 39.297 -1.424 -17.423 1 86.059 ? 100 GLN B OE1 1 2 +ATOM 2425 N NE2 . GLN B 2 106 ? 40.087 -0.269 -19.169 1 108.998 ? 100 GLN B NE2 1 2 +ATOM 2426 N N . GLY B 2 107 ? 37.349 -4.033 -20.206 1 78.499 ? 101 GLY B N 1 2 +ATOM 2427 C CA . GLY B 2 107 ? 37.404 -4.577 -21.553 1 75.15 ? 101 GLY B CA 1 2 +ATOM 2428 C C . GLY B 2 107 ? 38.304 -3.746 -22.463 1 70.881 ? 101 GLY B C 1 2 +ATOM 2429 O O . GLY B 2 107 ? 38.436 -2.527 -22.292 1 81.267 ? 101 GLY B O 1 2 +ATOM 2430 N N . THR B 2 108 ? 38.901 -4.43 -23.44 1 64.706 ? 102 THR B N 1 2 +ATOM 2431 C CA . THR B 2 108 ? 39.78 -3.799 -24.408 1 74.186 ? 102 THR B CA 1 2 +ATOM 2432 C C . THR B 2 108 ? 39.313 -4.215 -25.794 1 69.268 ? 102 THR B C 1 2 +ATOM 2433 O O . THR B 2 108 ? 39.286 -5.407 -26.047 1 63.414 ? 102 THR B O 1 2 +ATOM 2434 C CB . THR B 2 108 ? 41.234 -4.217 -24.143 1 80.308 ? 102 THR B CB 1 2 +ATOM 2435 O OG1 . THR B 2 108 ? 41.742 -3.521 -23.006 1 76.182 ? 102 THR B OG1 1 2 +ATOM 2436 C CG2 . THR B 2 108 ? 42.165 -3.893 -25.296 1 83.255 ? 102 THR B CG2 1 2 +ATOM 2437 N N . LYS B 2 109 ? 39 -3.253 -26.682 1 76.685 ? 103 LYS B N 1 2 +ATOM 2438 C CA . LYS B 2 109 ? 38.526 -3.589 -28.018 1 95.513 ? 103 LYS B CA 1 2 +ATOM 2439 C C . LYS B 2 109 ? 39.731 -3.723 -28.942 1 91.079 ? 103 LYS B C 1 2 +ATOM 2440 O O . LYS B 2 109 ? 40.478 -2.765 -29.083 1 87.503 ? 103 LYS B O 1 2 +ATOM 2441 C CB . LYS B 2 109 ? 37.505 -2.642 -28.668 1 110.111 ? 103 LYS B CB 1 2 +ATOM 2442 C CG . LYS B 2 109 ? 36.672 -3.36 -29.76 1 128.649 ? 103 LYS B CG 1 2 +ATOM 2443 C CD . LYS B 2 109 ? 36.229 -2.527 -30.966 1 140.118 ? 103 LYS B CD 1 2 +ATOM 2444 C CE . LYS B 2 109 ? 35.607 -3.285 -32.112 1 125.343 ? 103 LYS B CE 1 2 +ATOM 2445 N NZ . LYS B 2 109 ? 36.466 -4.283 -32.755 1 116.633 ? 103 LYS B NZ 1 2 +ATOM 2446 N N . VAL B 2 110 ? 39.904 -4.908 -29.562 1 88.166 ? 104 VAL B N 1 2 +ATOM 2447 C CA . VAL B 2 110 ? 40.996 -5.121 -30.502 1 87.539 ? 104 VAL B CA 1 2 +ATOM 2448 C C . VAL B 2 110 ? 40.432 -5.079 -31.922 1 82.84 ? 104 VAL B C 1 2 +ATOM 2449 O O . VAL B 2 110 ? 39.402 -5.69 -32.183 1 76.284 ? 104 VAL B O 1 2 +ATOM 2450 C CB . VAL B 2 110 ? 41.783 -6.411 -30.223 1 86.248 ? 104 VAL B CB 1 2 +ATOM 2451 C CG1 . VAL B 2 110 ? 42.879 -6.622 -31.256 1 89.775 ? 104 VAL B CG1 1 2 +ATOM 2452 C CG2 . VAL B 2 110 ? 42.407 -6.401 -28.835 1 85.686 ? 104 VAL B CG2 1 2 +ATOM 2453 N N . GLU B 2 111 ? 41.112 -4.316 -32.802 1 83.03 ? 105 GLU B N 1 2 +ATOM 2454 C CA . GLU B 2 111 ? 40.714 -4.101 -34.189 1 88.105 ? 105 GLU B CA 1 2 +ATOM 2455 C C . GLU B 2 111 ? 41.896 -4.376 -35.109 1 80.893 ? 105 GLU B C 1 2 +ATOM 2456 O O . GLU B 2 111 ? 43.051 -4.289 -34.722 1 84.138 ? 105 GLU B O 1 2 +ATOM 2457 C CB . GLU B 2 111 ? 40.233 -2.669 -34.437 1 111.25 ? 105 GLU B CB 1 2 +ATOM 2458 C CG . GLU B 2 111 ? 39.089 -2.272 -33.501 1 155.332 ? 105 GLU B CG 1 2 +ATOM 2459 C CD . GLU B 2 111 ? 39.256 -0.95 -32.751 1 186.264 ? 105 GLU B CD 1 2 +ATOM 2460 O OE1 . GLU B 2 111 ? 38.251 -0.236 -32.537 1 202.181 ? 105 GLU B OE1 1 2 +ATOM 2461 O OE2 . GLU B 2 111 ? 40.393 -0.624 -32.36 1 214.611 ? 105 GLU B OE2 1 2 +ATOM 2462 N N . ILE B 2 112 ? 41.591 -4.724 -36.351 1 82.787 ? 106 ILE B N 1 2 +ATOM 2463 C CA . ILE B 2 112 ? 42.592 -4.814 -37.401 1 89.832 ? 106 ILE B CA 1 2 +ATOM 2464 C C . ILE B 2 112 ? 42.898 -3.402 -37.929 1 88.671 ? 106 ILE B C 1 2 +ATOM 2465 O O . ILE B 2 112 ? 42.003 -2.629 -38.223 1 85.66 ? 106 ILE B O 1 2 +ATOM 2466 C CB . ILE B 2 112 ? 42.089 -5.76 -38.513 1 96.095 ? 106 ILE B CB 1 2 +ATOM 2467 C CG1 . ILE B 2 112 ? 41.932 -7.174 -38.022 1 98.706 ? 106 ILE B CG1 1 2 +ATOM 2468 C CG2 . ILE B 2 112 ? 42.968 -5.714 -39.766 1 103.146 ? 106 ILE B CG2 1 2 +ATOM 2469 C CD1 . ILE B 2 112 ? 43.234 -7.821 -37.608 1 114.905 ? 106 ILE B CD1 1 2 +ATOM 2470 N N . LYS B 2 113 ? 44.182 -3.071 -38.04 1 86.752 ? 107 LYS B N 1 2 +ATOM 2471 C CA . LYS B 2 113 ? 44.661 -1.861 -38.686 1 81.634 ? 107 LYS B CA 1 2 +ATOM 2472 C C . LYS B 2 113 ? 44.875 -2.176 -40.154 1 72.849 ? 107 LYS B C 1 2 +ATOM 2473 O O . LYS B 2 113 ? 45.586 -3.108 -40.474 1 79.49 ? 107 LYS B O 1 2 +ATOM 2474 C CB . LYS B 2 113 ? 45.983 -1.426 -38.04 1 85.285 ? 107 LYS B CB 1 2 +ATOM 2475 C CG . LYS B 2 113 ? 46.441 -0.029 -38.361 1 86.933 ? 107 LYS B CG 1 2 +ATOM 2476 C CD . LYS B 2 113 ? 47.511 0.494 -37.413 1 101.592 ? 107 LYS B CD 1 2 +ATOM 2477 C CE . LYS B 2 113 ? 47.845 1.929 -37.756 1 120.387 ? 107 LYS B CE 1 2 +ATOM 2478 N NZ . LYS B 2 113 ? 49.063 2.455 -37.134 1 125.18 ? 107 LYS B NZ 1 2 +ATOM 2479 N N . ARG B 2 114 ? 44.269 -1.404 -41.049 1 79.934 ? 108 ARG B N 1 2 +ATOM 2480 C CA . ARG B 2 114 ? 44.429 -1.643 -42.478 1 79.259 ? 108 ARG B CA 1 2 +ATOM 2481 C C . ARG B 2 114 ? 44.644 -0.341 -43.242 1 76.462 ? 108 ARG B C 1 2 +ATOM 2482 O O . ARG B 2 114 ? 44.649 0.738 -42.66 1 91.653 ? 108 ARG B O 1 2 +ATOM 2483 C CB . ARG B 2 114 ? 43.211 -2.405 -43.01 1 83.399 ? 108 ARG B CB 1 2 +ATOM 2484 C CG . ARG B 2 114 ? 41.861 -1.736 -42.772 1 82.167 ? 108 ARG B CG 1 2 +ATOM 2485 C CD . ARG B 2 114 ? 40.852 -2.095 -43.851 1 78.098 ? 108 ARG B CD 1 2 +ATOM 2486 N NE . ARG B 2 114 ? 41.161 -1.389 -45.098 1 74.134 ? 108 ARG B NE 1 2 +ATOM 2487 C CZ . ARG B 2 114 ? 40.681 -1.694 -46.285 1 72.614 ? 108 ARG B CZ 1 2 +ATOM 2488 N NH1 . ARG B 2 114 ? 39.801 -2.66 -46.445 1 79.765 ? 108 ARG B NH1 1 2 +ATOM 2489 N NH2 . ARG B 2 114 ? 41.098 -1.026 -47.33 1 77.073 ? 108 ARG B NH2 1 2 +ATOM 2490 N N . THR B 2 115 ? 44.839 -0.462 -44.56 1 77.848 ? 109 THR B N 1 2 +ATOM 2491 C CA . THR B 2 115 ? 44.979 0.696 -45.436 1 83.428 ? 109 THR B CA 1 2 +ATOM 2492 C C . THR B 2 115 ? 43.672 1.484 -45.468 1 85.268 ? 109 THR B C 1 2 +ATOM 2493 O O . THR B 2 115 ? 42.577 0.988 -45.186 1 79.792 ? 109 THR B O 1 2 +ATOM 2494 C CB . THR B 2 115 ? 45.394 0.286 -46.846 1 84.289 ? 109 THR B CB 1 2 +ATOM 2495 O OG1 . THR B 2 115 ? 44.645 -0.881 -47.188 1 85.686 ? 109 THR B OG1 1 2 +ATOM 2496 C CG2 . THR B 2 115 ? 46.879 -0.005 -46.928 1 88.626 ? 109 THR B CG2 1 2 +ATOM 2497 N N . VAL B 2 116 ? 43.794 2.77 -45.769 1 86.67 ? 110 VAL B N 1 2 +ATOM 2498 C CA . VAL B 2 116 ? 42.653 3.65 -45.583 1 88.444 ? 110 VAL B CA 1 2 +ATOM 2499 C C . VAL B 2 116 ? 41.644 3.408 -46.699 1 88.341 ? 110 VAL B C 1 2 +ATOM 2500 O O . VAL B 2 116 ? 42.038 3.283 -47.854 1 88.895 ? 110 VAL B O 1 2 +ATOM 2501 C CB . VAL B 2 116 ? 43.162 5.094 -45.528 1 88.898 ? 110 VAL B CB 1 2 +ATOM 2502 C CG1 . VAL B 2 116 ? 42.01 6.092 -45.514 1 84.594 ? 110 VAL B CG1 1 2 +ATOM 2503 C CG2 . VAL B 2 116 ? 44.095 5.265 -44.327 1 93.298 ? 110 VAL B CG2 1 2 +ATOM 2504 N N . ALA B 2 117 ? 40.354 3.322 -46.339 1 87.807 ? 111 ALA B N 1 2 +ATOM 2505 C CA . ALA B 2 117 ? 39.288 3.144 -47.316 1 81.596 ? 111 ALA B CA 1 2 +ATOM 2506 C C . ALA B 2 117 ? 38.284 4.281 -47.216 1 86.133 ? 111 ALA B C 1 2 +ATOM 2507 O O . ALA B 2 117 ? 37.759 4.532 -46.14 1 90.963 ? 111 ALA B O 1 2 +ATOM 2508 C CB . ALA B 2 117 ? 38.583 1.832 -47.088 1 82.748 ? 111 ALA B CB 1 2 +ATOM 2509 N N . ALA B 2 118 ? 37.985 4.928 -48.346 1 87.106 ? 112 ALA B N 1 2 +ATOM 2510 C CA . ALA B 2 118 ? 37.005 6.003 -48.355 1 80.782 ? 112 ALA B CA 1 2 +ATOM 2511 C C . ALA B 2 118 ? 35.601 5.43 -48.464 1 67.744 ? 112 ALA B C 1 2 +ATOM 2512 O O . ALA B 2 118 ? 35.369 4.475 -49.17 1 73.856 ? 112 ALA B O 1 2 +ATOM 2513 C CB . ALA B 2 118 ? 37.298 6.937 -49.494 1 96.386 ? 112 ALA B CB 1 2 +ATOM 2514 N N . PRO B 2 119 ? 34.604 5.998 -47.786 1 69.505 ? 113 PRO B N 1 2 +ATOM 2515 C CA . PRO B 2 119 ? 33.245 5.477 -47.855 1 71.252 ? 113 PRO B CA 1 2 +ATOM 2516 C C . PRO B 2 119 ? 32.515 5.781 -49.154 1 67.7 ? 113 PRO B C 1 2 +ATOM 2517 O O . PRO B 2 119 ? 32.846 6.732 -49.86 1 59.332 ? 113 PRO B O 1 2 +ATOM 2518 C CB . PRO B 2 119 ? 32.548 6.179 -46.677 1 80.309 ? 113 PRO B CB 1 2 +ATOM 2519 C CG . PRO B 2 119 ? 33.262 7.495 -46.588 1 81.017 ? 113 PRO B CG 1 2 +ATOM 2520 C CD . PRO B 2 119 ? 34.726 7.16 -46.9 1 84.827 ? 113 PRO B CD 1 2 +ATOM 2521 N N . SER B 2 120 ? 31.501 4.957 -49.42 1 69.653 ? 114 SER B N 1 2 +ATOM 2522 C CA . SER B 2 120 ? 30.471 5.3 -50.377 1 75.756 ? 114 SER B CA 1 2 +ATOM 2523 C C . SER B 2 120 ? 29.363 5.993 -49.598 1 77.545 ? 114 SER B C 1 2 +ATOM 2524 O O . SER B 2 120 ? 28.717 5.379 -48.766 1 83.054 ? 114 SER B O 1 2 +ATOM 2525 C CB . SER B 2 120 ? 29.883 4.108 -51.078 1 74.459 ? 114 SER B CB 1 2 +ATOM 2526 O OG . SER B 2 120 ? 30.811 3.154 -51.549 1 80.932 ? 114 SER B OG 1 2 +ATOM 2527 N N . VAL B 2 121 ? 29.089 7.25 -49.903 1 72.669 ? 115 VAL B N 1 2 +ATOM 2528 C CA . VAL B 2 121 ? 27.937 7.88 -49.287 1 77.682 ? 115 VAL B CA 1 2 +ATOM 2529 C C . VAL B 2 121 ? 26.687 7.702 -50.153 1 74.738 ? 115 VAL B C 1 2 +ATOM 2530 O O . VAL B 2 121 ? 26.762 7.77 -51.38 1 81.329 ? 115 VAL B O 1 2 +ATOM 2531 C CB . VAL B 2 121 ? 28.239 9.361 -49.008 1 90.474 ? 115 VAL B CB 1 2 +ATOM 2532 C CG1 . VAL B 2 121 ? 27.163 9.971 -48.119 1 91.461 ? 115 VAL B CG1 1 2 +ATOM 2533 C CG2 . VAL B 2 121 ? 29.639 9.522 -48.417 1 87.026 ? 115 VAL B CG2 1 2 +ATOM 2534 N N . PHE B 2 122 ? 25.547 7.479 -49.475 1 79.218 ? 116 PHE B N 1 2 +ATOM 2535 C CA . PHE B 2 122 ? 24.204 7.423 -50.06 1 74.991 ? 116 PHE B CA 1 2 +ATOM 2536 C C . PHE B 2 122 ? 23.251 8.171 -49.139 1 75.126 ? 116 PHE B C 1 2 +ATOM 2537 O O . PHE B 2 122 ? 23.407 8.141 -47.92 1 75.307 ? 116 PHE B O 1 2 +ATOM 2538 C CB . PHE B 2 122 ? 23.616 6.01 -50.199 1 75.06 ? 116 PHE B CB 1 2 +ATOM 2539 C CG . PHE B 2 122 ? 24.583 5.034 -50.846 1 82.809 ? 116 PHE B CG 1 2 +ATOM 2540 C CD1 . PHE B 2 122 ? 24.603 4.932 -52.222 1 83.17 ? 116 PHE B CD1 1 2 +ATOM 2541 C CD2 . PHE B 2 122 ? 25.512 4.293 -50.101 1 89.074 ? 116 PHE B CD2 1 2 +ATOM 2542 C CE1 . PHE B 2 122 ? 25.523 4.118 -52.851 1 87.442 ? 116 PHE B CE1 1 2 +ATOM 2543 C CE2 . PHE B 2 122 ? 26.456 3.517 -50.742 1 93.538 ? 116 PHE B CE2 1 2 +ATOM 2544 C CZ . PHE B 2 122 ? 26.434 3.401 -52.115 1 94.007 ? 116 PHE B CZ 1 2 +ATOM 2545 N N . ILE B 2 123 ? 22.24 8.822 -49.719 1 83.95 ? 117 ILE B N 1 2 +ATOM 2546 C CA . ILE B 2 123 ? 21.244 9.493 -48.9 1 82.919 ? 117 ILE B CA 1 2 +ATOM 2547 C C . ILE B 2 123 ? 19.856 8.997 -49.288 1 82.203 ? 117 ILE B C 1 2 +ATOM 2548 O O . ILE B 2 123 ? 19.543 8.828 -50.466 1 102.237 ? 117 ILE B O 1 2 +ATOM 2549 C CB . ILE B 2 123 ? 21.373 11.017 -48.994 1 85.638 ? 117 ILE B CB 1 2 +ATOM 2550 C CG1 . ILE B 2 123 ? 20.444 11.692 -48.033 1 86.366 ? 117 ILE B CG1 1 2 +ATOM 2551 C CG2 . ILE B 2 123 ? 21.172 11.531 -50.422 1 98.02 ? 117 ILE B CG2 1 2 +ATOM 2552 C CD1 . ILE B 2 123 ? 20.676 13.185 -47.95 1 94.114 ? 117 ILE B CD1 1 2 +ATOM 2553 N N . PHE B 2 124 ? 19.049 8.724 -48.261 1 75.504 ? 118 PHE B N 1 2 +ATOM 2554 C CA . PHE B 2 124 ? 17.721 8.182 -48.462 1 82.592 ? 118 PHE B CA 1 2 +ATOM 2555 C C . PHE B 2 124 ? 16.701 9.195 -47.948 1 81.205 ? 118 PHE B C 1 2 +ATOM 2556 O O . PHE B 2 124 ? 16.674 9.571 -46.77 1 78.169 ? 118 PHE B O 1 2 +ATOM 2557 C CB . PHE B 2 124 ? 17.512 6.822 -47.79 1 84.054 ? 118 PHE B CB 1 2 +ATOM 2558 C CG . PHE B 2 124 ? 18.474 5.732 -48.233 1 81.461 ? 118 PHE B CG 1 2 +ATOM 2559 C CD1 . PHE B 2 124 ? 18.217 4.97 -49.366 1 79.88 ? 118 PHE B CD1 1 2 +ATOM 2560 C CD2 . PHE B 2 124 ? 19.633 5.473 -47.495 1 81.936 ? 118 PHE B CD2 1 2 +ATOM 2561 C CE1 . PHE B 2 124 ? 19.1 3.971 -49.745 1 83.822 ? 118 PHE B CE1 1 2 +ATOM 2562 C CE2 . PHE B 2 124 ? 20.508 4.464 -47.866 1 73.109 ? 118 PHE B CE2 1 2 +ATOM 2563 C CZ . PHE B 2 124 ? 20.243 3.718 -48.991 1 82.963 ? 118 PHE B CZ 1 2 +ATOM 2564 N N . PRO B 2 125 ? 15.791 9.651 -48.833 1 76.157 ? 119 PRO B N 1 2 +ATOM 2565 C CA . PRO B 2 125 ? 14.728 10.554 -48.423 1 74.122 ? 119 PRO B CA 1 2 +ATOM 2566 C C . PRO B 2 125 ? 13.728 9.758 -47.616 1 72.786 ? 119 PRO B C 1 2 +ATOM 2567 O O . PRO B 2 125 ? 13.668 8.542 -47.717 1 82.292 ? 119 PRO B O 1 2 +ATOM 2568 C CB . PRO B 2 125 ? 14.15 11.086 -49.724 1 73.95 ? 119 PRO B CB 1 2 +ATOM 2569 C CG . PRO B 2 125 ? 15.157 10.669 -50.764 1 76.871 ? 119 PRO B CG 1 2 +ATOM 2570 C CD . PRO B 2 125 ? 15.744 9.361 -50.27 1 81.606 ? 119 PRO B CD 1 2 +ATOM 2571 N N . PRO B 2 126 ? 12.889 10.419 -46.801 1 75.169 ? 120 PRO B N 1 2 +ATOM 2572 C CA . PRO B 2 126 ? 11.811 9.719 -46.117 1 74.494 ? 120 PRO B CA 1 2 +ATOM 2573 C C . PRO B 2 126 ? 10.856 9.12 -47.146 1 70.182 ? 120 PRO B C 1 2 +ATOM 2574 O O . PRO B 2 126 ? 10.558 9.718 -48.163 1 64.213 ? 120 PRO B O 1 2 +ATOM 2575 C CB . PRO B 2 126 ? 11.169 10.762 -45.219 1 72.463 ? 120 PRO B CB 1 2 +ATOM 2576 C CG . PRO B 2 126 ? 11.63 12.062 -45.798 1 81.785 ? 120 PRO B CG 1 2 +ATOM 2577 C CD . PRO B 2 126 ? 12.955 11.843 -46.477 1 82.724 ? 120 PRO B CD 1 2 +ATOM 2578 N N . SER B 2 127 ? 10.436 7.886 -46.874 1 70.276 ? 121 SER B N 1 2 +ATOM 2579 C CA . SER B 2 127 ? 9.515 7.133 -47.702 1 73.801 ? 121 SER B CA 1 2 +ATOM 2580 C C . SER B 2 127 ? 8.144 7.792 -47.712 1 78.13 ? 121 SER B C 1 2 +ATOM 2581 O O . SER B 2 127 ? 7.793 8.426 -46.724 1 76.843 ? 121 SER B O 1 2 +ATOM 2582 C CB . SER B 2 127 ? 9.397 5.759 -47.13 1 81.815 ? 121 SER B CB 1 2 +ATOM 2583 O OG . SER B 2 127 ? 9.015 5.835 -45.759 1 75.416 ? 121 SER B OG 1 2 +ATOM 2584 N N . ASP B 2 128 ? 7.354 7.561 -48.774 1 86.848 ? 122 ASP B N 1 2 +ATOM 2585 C CA . ASP B 2 128 ? 5.99 8.091 -48.879 1 93.094 ? 122 ASP B CA 1 2 +ATOM 2586 C C . ASP B 2 128 ? 5.12 7.569 -47.736 1 91.283 ? 122 ASP B C 1 2 +ATOM 2587 O O . ASP B 2 128 ? 4.258 8.273 -47.233 1 93.271 ? 122 ASP B O 1 2 +ATOM 2588 C CB . ASP B 2 128 ? 5.344 7.822 -50.233 1 96.055 ? 122 ASP B CB 1 2 +ATOM 2589 C CG . ASP B 2 128 ? 5.877 8.678 -51.38 1 104.218 ? 122 ASP B CG 1 2 +ATOM 2590 O OD1 . ASP B 2 128 ? 6.989 9.212 -51.235 1 107.57 ? 122 ASP B OD1 1 2 +ATOM 2591 O OD2 . ASP B 2 128 ? 5.185 8.84 -52.41 1 99.781 ? 122 ASP B OD2 1 2 +ATOM 2592 N N . GLU B 2 129 ? 5.442 6.354 -47.288 1 97.639 ? 123 GLU B N 1 2 +ATOM 2593 C CA . GLU B 2 129 ? 4.752 5.618 -46.236 1 106.854 ? 123 GLU B CA 1 2 +ATOM 2594 C C . GLU B 2 129 ? 4.964 6.287 -44.874 1 94.527 ? 123 GLU B C 1 2 +ATOM 2595 O O . GLU B 2 129 ? 4.034 6.421 -44.086 1 96.213 ? 123 GLU B O 1 2 +ATOM 2596 C CB . GLU B 2 129 ? 5.265 4.169 -46.276 1 116.667 ? 123 GLU B CB 1 2 +ATOM 2597 C CG . GLU B 2 129 ? 5.722 3.713 -47.671 1 124.739 ? 123 GLU B CG 1 2 +ATOM 2598 C CD . GLU B 2 129 ? 5.571 2.269 -48.121 1 124.091 ? 123 GLU B CD 1 2 +ATOM 2599 O OE1 . GLU B 2 129 ? 5.599 2.098 -49.357 1 120.813 ? 123 GLU B OE1 1 2 +ATOM 2600 O OE2 . GLU B 2 129 ? 5.44 1.343 -47.297 1 116.005 ? 123 GLU B OE2 1 2 +ATOM 2601 N N . GLN B 2 130 ? 6.2 6.698 -44.595 1 85.959 ? 124 GLN B N 1 2 +ATOM 2602 C CA . GLN B 2 130 ? 6.545 7.301 -43.316 1 83.853 ? 124 GLN B CA 1 2 +ATOM 2603 C C . GLN B 2 130 ? 5.923 8.69 -43.234 1 90.004 ? 124 GLN B C 1 2 +ATOM 2604 O O . GLN B 2 130 ? 5.516 9.128 -42.163 1 98.872 ? 124 GLN B O 1 2 +ATOM 2605 C CB . GLN B 2 130 ? 8.057 7.433 -43.087 1 80.737 ? 124 GLN B CB 1 2 +ATOM 2606 C CG . GLN B 2 130 ? 8.411 7.809 -41.647 1 83.273 ? 124 GLN B CG 1 2 +ATOM 2607 C CD . GLN B 2 130 ? 9.846 8.251 -41.443 1 83.448 ? 124 GLN B CD 1 2 +ATOM 2608 O OE1 . GLN B 2 130 ? 10.64 8.292 -42.39 1 79.973 ? 124 GLN B OE1 1 2 +ATOM 2609 N NE2 . GLN B 2 130 ? 10.189 8.557 -40.194 1 81.291 ? 124 GLN B NE2 1 2 +ATOM 2610 N N . LEU B 2 131 ? 5.88 9.395 -44.364 1 88.441 ? 125 LEU B N 1 2 +ATOM 2611 C CA . LEU B 2 131 ? 5.289 10.718 -44.396 1 93.637 ? 125 LEU B CA 1 2 +ATOM 2612 C C . LEU B 2 131 ? 3.783 10.644 -44.157 1 98.955 ? 125 LEU B C 1 2 +ATOM 2613 O O . LEU B 2 131 ? 3.194 11.568 -43.599 1 123.417 ? 125 LEU B O 1 2 +ATOM 2614 C CB . LEU B 2 131 ? 5.617 11.336 -45.747 1 101.876 ? 125 LEU B CB 1 2 +ATOM 2615 C CG . LEU B 2 131 ? 7.107 11.55 -46.021 1 101.578 ? 125 LEU B CG 1 2 +ATOM 2616 C CD1 . LEU B 2 131 ? 7.248 11.839 -47.518 1 105.82 ? 125 LEU B CD1 1 2 +ATOM 2617 C CD2 . LEU B 2 131 ? 7.709 12.654 -45.126 1 99.475 ? 125 LEU B CD2 1 2 +ATOM 2618 N N . LYS B 2 132 ? 3.158 9.534 -44.545 1 92.803 ? 126 LYS B N 1 2 +ATOM 2619 C CA . LYS B 2 132 ? 1.754 9.339 -44.236 1 93.736 ? 126 LYS B CA 1 2 +ATOM 2620 C C . LYS B 2 132 ? 1.542 9.162 -42.734 1 96.893 ? 126 LYS B C 1 2 +ATOM 2621 O O . LYS B 2 132 ? 0.457 9.426 -42.261 1 111.448 ? 126 LYS B O 1 2 +ATOM 2622 C CB . LYS B 2 132 ? 1.224 8.219 -45.128 1 102.076 ? 126 LYS B CB 1 2 +ATOM 2623 C CG . LYS B 2 132 ? 0.85 8.78 -46.509 1 104.295 ? 126 LYS B CG 1 2 +ATOM 2624 C CD . LYS B 2 132 ? 0.979 7.825 -47.694 1 105.426 ? 126 LYS B CD 1 2 +ATOM 2625 C CE . LYS B 2 132 ? 0.95 8.578 -48.983 1 102.96 ? 126 LYS B CE 1 2 +ATOM 2626 N NZ . LYS B 2 132 ? 1.281 7.704 -50.108 1 100.271 ? 126 LYS B NZ 1 2 +ATOM 2627 N N . SER B 2 133 ? 2.559 8.742 -41.978 1 108.841 ? 127 SER B N 1 2 +ATOM 2628 C CA . SER B 2 133 ? 2.486 8.677 -40.519 1 117.424 ? 127 SER B CA 1 2 +ATOM 2629 C C . SER B 2 133 ? 2.915 9.992 -39.853 1 118.435 ? 127 SER B C 1 2 +ATOM 2630 O O . SER B 2 133 ? 3.058 10.021 -38.635 1 152.548 ? 127 SER B O 1 2 +ATOM 2631 C CB . SER B 2 133 ? 3.315 7.512 -39.968 1 117.546 ? 127 SER B CB 1 2 +ATOM 2632 O OG . SER B 2 133 ? 4.711 7.776 -40.056 1 108.958 ? 127 SER B OG 1 2 +ATOM 2633 N N . GLY B 2 134 ? 3.151 11.066 -40.62 1 98.995 ? 128 GLY B N 1 2 +ATOM 2634 C CA . GLY B 2 134 ? 3.469 12.375 -40.061 1 91.815 ? 128 GLY B CA 1 2 +ATOM 2635 C C . GLY B 2 134 ? 4.895 12.498 -39.509 1 95.335 ? 128 GLY B C 1 2 +ATOM 2636 O O . GLY B 2 134 ? 5.157 13.357 -38.664 1 98.538 ? 128 GLY B O 1 2 +ATOM 2637 N N . THR B 2 135 ? 5.831 11.657 -39.981 1 98.974 ? 129 THR B N 1 2 +ATOM 2638 C CA . THR B 2 135 ? 7.239 11.821 -39.621 1 103.235 ? 129 THR B CA 1 2 +ATOM 2639 C C . THR B 2 135 ? 8.129 11.759 -40.866 1 99.041 ? 129 THR B C 1 2 +ATOM 2640 O O . THR B 2 135 ? 7.681 11.369 -41.951 1 89.764 ? 129 THR B O 1 2 +ATOM 2641 C CB . THR B 2 135 ? 7.687 10.827 -38.545 1 106.591 ? 129 THR B CB 1 2 +ATOM 2642 O OG1 . THR B 2 135 ? 7.011 9.587 -38.776 1 109.636 ? 129 THR B OG1 1 2 +ATOM 2643 C CG2 . THR B 2 135 ? 7.428 11.381 -37.152 1 109.157 ? 129 THR B CG2 1 2 +ATOM 2644 N N . ALA B 2 136 ? 9.387 12.197 -40.688 1 97.931 ? 130 ALA B N 1 2 +ATOM 2645 C CA . ALA B 2 136 ? 10.36 12.21 -41.764 1 87.233 ? 130 ALA B CA 1 2 +ATOM 2646 C C . ALA B 2 136 ? 11.741 11.872 -41.219 1 85.106 ? 130 ALA B C 1 2 +ATOM 2647 O O . ALA B 2 136 ? 12.215 12.451 -40.234 1 70.654 ? 130 ALA B O 1 2 +ATOM 2648 C CB . ALA B 2 136 ? 10.36 13.549 -42.434 1 85.512 ? 130 ALA B CB 1 2 +ATOM 2649 N N . SER B 2 137 ? 12.387 10.921 -41.89 1 87.523 ? 131 SER B N 1 2 +ATOM 2650 C CA . SER B 2 137 ? 13.708 10.478 -41.502 1 83.626 ? 131 SER B CA 1 2 +ATOM 2651 C C . SER B 2 137 ? 14.563 10.396 -42.755 1 80.703 ? 131 SER B C 1 2 +ATOM 2652 O O . SER B 2 137 ? 14.334 9.607 -43.666 1 82.025 ? 131 SER B O 1 2 +ATOM 2653 C CB . SER B 2 137 ? 13.659 9.172 -40.741 1 81.756 ? 131 SER B CB 1 2 +ATOM 2654 O OG . SER B 2 137 ? 12.972 9.334 -39.504 1 79.007 ? 131 SER B OG 1 2 +ATOM 2655 N N . VAL B 2 138 ? 15.58 11.236 -42.778 1 81.813 ? 132 VAL B N 1 2 +ATOM 2656 C CA . VAL B 2 138 ? 16.547 11.181 -43.845 1 81.36 ? 132 VAL B CA 1 2 +ATOM 2657 C C . VAL B 2 138 ? 17.702 10.334 -43.336 1 75.159 ? 132 VAL B C 1 2 +ATOM 2658 O O . VAL B 2 138 ? 18.173 10.56 -42.234 1 66.913 ? 132 VAL B O 1 2 +ATOM 2659 C CB . VAL B 2 138 ? 16.979 12.606 -44.225 1 80.605 ? 132 VAL B CB 1 2 +ATOM 2660 C CG1 . VAL B 2 138 ? 17.84 12.585 -45.463 1 81.935 ? 132 VAL B CG1 1 2 +ATOM 2661 C CG2 . VAL B 2 138 ? 15.775 13.51 -44.455 1 82.36 ? 132 VAL B CG2 1 2 +ATOM 2662 N N . VAL B 2 139 ? 18.142 9.358 -44.14 1 75.439 ? 133 VAL B N 1 2 +ATOM 2663 C CA . VAL B 2 139 ? 19.198 8.457 -43.712 1 74.271 ? 133 VAL B CA 1 2 +ATOM 2664 C C . VAL B 2 139 ? 20.425 8.63 -44.606 1 74.617 ? 133 VAL B C 1 2 +ATOM 2665 O O . VAL B 2 139 ? 20.334 8.555 -45.813 1 68.173 ? 133 VAL B O 1 2 +ATOM 2666 C CB . VAL B 2 139 ? 18.735 6.996 -43.685 1 74.301 ? 133 VAL B CB 1 2 +ATOM 2667 C CG1 . VAL B 2 139 ? 19.831 6.126 -43.101 1 80.144 ? 133 VAL B CG1 1 2 +ATOM 2668 C CG2 . VAL B 2 139 ? 17.43 6.814 -42.92 1 71.09 ? 133 VAL B CG2 1 2 +ATOM 2669 N N . CYS B 2 140 ? 21.581 8.881 -43.986 1 79.192 ? 134 CYS B N 1 2 +ATOM 2670 C CA . CYS B 2 140 ? 22.855 9 -44.671 1 70.751 ? 134 CYS B CA 1 2 +ATOM 2671 C C . CYS B 2 140 ? 23.611 7.724 -44.363 1 70.368 ? 134 CYS B C 1 2 +ATOM 2672 O O . CYS B 2 140 ? 23.769 7.379 -43.196 1 76.692 ? 134 CYS B O 1 2 +ATOM 2673 C CB . CYS B 2 140 ? 23.631 10.209 -44.163 1 78.686 ? 134 CYS B CB 1 2 +ATOM 2674 S SG . CYS B 2 140 ? 25.068 10.675 -45.162 0.77 91.813 ? 134 CYS B SG 1 2 +ATOM 2675 N N . LEU B 2 141 ? 24.032 7.015 -45.413 1 72.597 ? 135 LEU B N 1 2 +ATOM 2676 C CA . LEU B 2 141 ? 24.801 5.785 -45.275 1 65.249 ? 135 LEU B CA 1 2 +ATOM 2677 C C . LEU B 2 141 ? 26.235 6.012 -45.73 1 60.471 ? 135 LEU B C 1 2 +ATOM 2678 O O . LEU B 2 141 ? 26.454 6.595 -46.779 1 63.47 ? 135 LEU B O 1 2 +ATOM 2679 C CB . LEU B 2 141 ? 24.144 4.712 -46.129 1 70.747 ? 135 LEU B CB 1 2 +ATOM 2680 C CG . LEU B 2 141 ? 24.883 3.367 -46.214 1 80.072 ? 135 LEU B CG 1 2 +ATOM 2681 C CD1 . LEU B 2 141 ? 24.84 2.734 -44.846 1 88.068 ? 135 LEU B CD1 1 2 +ATOM 2682 C CD2 . LEU B 2 141 ? 24.358 2.361 -47.238 1 78.243 ? 135 LEU B CD2 1 2 +ATOM 2683 N N . LEU B 2 142 ? 27.208 5.573 -44.929 1 60.323 ? 136 LEU B N 1 2 +ATOM 2684 C CA . LEU B 2 142 ? 28.603 5.514 -45.352 1 62.053 ? 136 LEU B CA 1 2 +ATOM 2685 C C . LEU B 2 142 ? 28.993 4.045 -45.375 1 68.972 ? 136 LEU B C 1 2 +ATOM 2686 O O . LEU B 2 142 ? 28.714 3.358 -44.396 1 68.014 ? 136 LEU B O 1 2 +ATOM 2687 C CB . LEU B 2 142 ? 29.513 6.242 -44.381 1 60.679 ? 136 LEU B CB 1 2 +ATOM 2688 C CG . LEU B 2 142 ? 29.301 7.741 -44.223 1 66.581 ? 136 LEU B CG 1 2 +ATOM 2689 C CD1 . LEU B 2 142 ? 27.932 8.079 -43.633 1 64.355 ? 136 LEU B CD1 1 2 +ATOM 2690 C CD2 . LEU B 2 142 ? 30.449 8.277 -43.361 1 68.59 ? 136 LEU B CD2 1 2 +ATOM 2691 N N . ASN B 2 143 ? 29.605 3.567 -46.472 1 77.175 ? 137 ASN B N 1 2 +ATOM 2692 C CA . ASN B 2 143 ? 29.791 2.133 -46.654 1 85.089 ? 137 ASN B CA 1 2 +ATOM 2693 C C . ASN B 2 143 ? 31.283 1.778 -46.732 1 94.701 ? 137 ASN B C 1 2 +ATOM 2694 O O . ASN B 2 143 ? 32.036 2.345 -47.52 1 83.222 ? 137 ASN B O 1 2 +ATOM 2695 C CB . ASN B 2 143 ? 28.996 1.604 -47.847 1 82.501 ? 137 ASN B CB 1 2 +ATOM 2696 C CG . ASN B 2 143 ? 29.134 0.1 -48 1 97.965 ? 137 ASN B CG 1 2 +ATOM 2697 O OD1 . ASN B 2 143 ? 28.667 -0.674 -47.148 1 116.036 ? 137 ASN B OD1 1 2 +ATOM 2698 N ND2 . ASN B 2 143 ? 29.717 -0.349 -49.102 1 88.283 ? 137 ASN B ND2 1 2 +ATOM 2699 N N . ASN B 2 144 ? 31.692 0.799 -45.912 1 108.22 ? 138 ASN B N 1 2 +ATOM 2700 C CA . ASN B 2 144 ? 32.984 0.124 -46.009 1 96.798 ? 138 ASN B CA 1 2 +ATOM 2701 C C . ASN B 2 144 ? 34.167 1.111 -46.014 1 85.625 ? 138 ASN B C 1 2 +ATOM 2702 O O . ASN B 2 144 ? 35.016 1.052 -46.905 1 81.316 ? 138 ASN B O 1 2 +ATOM 2703 C CB . ASN B 2 144 ? 32.94 -0.872 -47.167 1 97.211 ? 138 ASN B CB 1 2 +ATOM 2704 C CG . ASN B 2 144 ? 32.16 -2.123 -46.822 1 99.504 ? 138 ASN B CG 1 2 +ATOM 2705 O OD1 . ASN B 2 144 ? 30.966 -2.232 -47.119 1 92.948 ? 138 ASN B OD1 1 2 +ATOM 2706 N ND2 . ASN B 2 144 ? 32.819 -3.08 -46.185 1 118.381 ? 138 ASN B ND2 1 2 +ATOM 2707 N N . PHE B 2 145 ? 34.271 1.943 -44.961 1 73.444 ? 139 PHE B N 1 2 +ATOM 2708 C CA . PHE B 2 145 ? 35.375 2.877 -44.773 1 65.707 ? 139 PHE B CA 1 2 +ATOM 2709 C C . PHE B 2 145 ? 36.29 2.474 -43.612 1 67.924 ? 139 PHE B C 1 2 +ATOM 2710 O O . PHE B 2 145 ? 35.844 1.901 -42.636 1 73.366 ? 139 PHE B O 1 2 +ATOM 2711 C CB . PHE B 2 145 ? 34.787 4.261 -44.49 1 66.71 ? 139 PHE B CB 1 2 +ATOM 2712 C CG . PHE B 2 145 ? 33.892 4.369 -43.267 1 65.632 ? 139 PHE B CG 1 2 +ATOM 2713 C CD1 . PHE B 2 145 ? 32.545 4.048 -43.328 1 66.196 ? 139 PHE B CD1 1 2 +ATOM 2714 C CD2 . PHE B 2 145 ? 34.404 4.818 -42.059 1 70.838 ? 139 PHE B CD2 1 2 +ATOM 2715 C CE1 . PHE B 2 145 ? 31.752 4.127 -42.198 1 69.319 ? 139 PHE B CE1 1 2 +ATOM 2716 C CE2 . PHE B 2 145 ? 33.603 4.899 -40.927 1 76.072 ? 139 PHE B CE2 1 2 +ATOM 2717 C CZ . PHE B 2 145 ? 32.279 4.553 -41.007 1 73.101 ? 139 PHE B CZ 1 2 +ATOM 2718 N N . TYR B 2 146 ? 37.581 2.822 -43.678 1 74.188 ? 140 TYR B N 1 2 +ATOM 2719 C CA . TYR B 2 146 ? 38.535 2.598 -42.592 1 74.242 ? 140 TYR B CA 1 2 +ATOM 2720 C C . TYR B 2 146 ? 39.466 3.81 -42.544 1 74.067 ? 140 TYR B C 1 2 +ATOM 2721 O O . TYR B 2 146 ? 39.95 4.239 -43.599 1 85.082 ? 140 TYR B O 1 2 +ATOM 2722 C CB . TYR B 2 146 ? 39.387 1.326 -42.755 1 77.996 ? 140 TYR B CB 1 2 +ATOM 2723 C CG . TYR B 2 146 ? 40.196 1.024 -41.504 1 73.12 ? 140 TYR B CG 1 2 +ATOM 2724 C CD1 . TYR B 2 146 ? 39.62 0.334 -40.448 1 77.786 ? 140 TYR B CD1 1 2 +ATOM 2725 C CD2 . TYR B 2 146 ? 41.499 1.481 -41.353 1 74.626 ? 140 TYR B CD2 1 2 +ATOM 2726 C CE1 . TYR B 2 146 ? 40.309 0.12 -39.266 1 92.488 ? 140 TYR B CE1 1 2 +ATOM 2727 C CE2 . TYR B 2 146 ? 42.208 1.269 -40.182 1 83.551 ? 140 TYR B CE2 1 2 +ATOM 2728 C CZ . TYR B 2 146 ? 41.606 0.595 -39.134 1 98.056 ? 140 TYR B CZ 1 2 +ATOM 2729 O OH . TYR B 2 146 ? 42.294 0.412 -37.971 1 108.278 ? 140 TYR B OH 1 2 +ATOM 2730 N N . PRO B 2 147 ? 39.771 4.419 -41.373 1 73.66 ? 141 PRO B N 1 2 +ATOM 2731 C CA . PRO B 2 147 ? 39.322 3.984 -40.05 1 80.395 ? 141 PRO B CA 1 2 +ATOM 2732 C C . PRO B 2 147 ? 37.932 4.451 -39.624 1 92.12 ? 141 PRO B C 1 2 +ATOM 2733 O O . PRO B 2 147 ? 37.273 5.17 -40.38 1 88.236 ? 141 PRO B O 1 2 +ATOM 2734 C CB . PRO B 2 147 ? 40.42 4.558 -39.125 1 76.858 ? 141 PRO B CB 1 2 +ATOM 2735 C CG . PRO B 2 147 ? 40.805 5.851 -39.786 1 77.503 ? 141 PRO B CG 1 2 +ATOM 2736 C CD . PRO B 2 147 ? 40.645 5.59 -41.277 1 79.602 ? 141 PRO B CD 1 2 +ATOM 2737 N N . ARG B 2 148 ? 37.559 4.076 -38.38 1 86.844 ? 142 ARG B N 1 2 +ATOM 2738 C CA . ARG B 2 148 ? 36.234 4.299 -37.826 1 84.641 ? 142 ARG B CA 1 2 +ATOM 2739 C C . ARG B 2 148 ? 35.898 5.788 -37.701 1 78.254 ? 142 ARG B C 1 2 +ATOM 2740 O O . ARG B 2 148 ? 34.72 6.149 -37.698 1 83.527 ? 142 ARG B O 1 2 +ATOM 2741 C CB . ARG B 2 148 ? 36.174 3.588 -36.471 1 91.873 ? 142 ARG B CB 1 2 +ATOM 2742 C CG . ARG B 2 148 ? 34.783 3.463 -35.858 1 103.897 ? 142 ARG B CG 1 2 +ATOM 2743 C CD . ARG B 2 148 ? 34.844 3.074 -34.394 1 111.741 ? 142 ARG B CD 1 2 +ATOM 2744 N NE . ARG B 2 148 ? 33.504 3.04 -33.799 1 119.248 ? 142 ARG B NE 1 2 +ATOM 2745 C CZ . ARG B 2 148 ? 32.825 1.935 -33.529 1 143.451 ? 142 ARG B CZ 1 2 +ATOM 2746 N NH1 . ARG B 2 148 ? 33.331 0.752 -33.853 1 152.302 ? 142 ARG B NH1 1 2 +ATOM 2747 N NH2 . ARG B 2 148 ? 31.645 2.025 -32.936 1 147.854 ? 142 ARG B NH2 1 2 +ATOM 2748 N N . GLU B 2 149 ? 36.917 6.646 -37.586 1 72.77 ? 143 GLU B N 1 2 +ATOM 2749 C CA . GLU B 2 149 ? 36.709 8.063 -37.332 1 79.956 ? 143 GLU B CA 1 2 +ATOM 2750 C C . GLU B 2 149 ? 36.237 8.715 -38.627 1 76.956 ? 143 GLU B C 1 2 +ATOM 2751 O O . GLU B 2 149 ? 37.042 8.943 -39.528 1 90.205 ? 143 GLU B O 1 2 +ATOM 2752 C CB . GLU B 2 149 ? 37.948 8.772 -36.761 1 97.779 ? 143 GLU B CB 1 2 +ATOM 2753 C CG . GLU B 2 149 ? 38.442 8.259 -35.401 1 122.209 ? 143 GLU B CG 1 2 +ATOM 2754 C CD . GLU B 2 149 ? 39.267 6.962 -35.291 1 140.638 ? 143 GLU B CD 1 2 +ATOM 2755 O OE1 . GLU B 2 149 ? 39.054 6.179 -34.324 1 135.145 ? 143 GLU B OE1 1 2 +ATOM 2756 O OE2 . GLU B 2 149 ? 40.138 6.715 -36.163 1 153.14 ? 143 GLU B OE2 1 2 +ATOM 2757 N N . ALA B 2 150 ? 34.933 9.035 -38.693 1 86.266 ? 144 ALA B N 1 2 +ATOM 2758 C CA . ALA B 2 150 ? 34.319 9.748 -39.818 1 99.116 ? 144 ALA B CA 1 2 +ATOM 2759 C C . ALA B 2 150 ? 33.308 10.78 -39.317 1 99.361 ? 144 ALA B C 1 2 +ATOM 2760 O O . ALA B 2 150 ? 32.512 10.468 -38.432 1 99.495 ? 144 ALA B O 1 2 +ATOM 2761 C CB . ALA B 2 150 ? 33.64 8.769 -40.75 1 100.183 ? 144 ALA B CB 1 2 +ATOM 2762 N N . LYS B 2 151 ? 33.329 11.995 -39.887 1 104.837 ? 145 LYS B N 1 2 +ATOM 2763 C CA . LYS B 2 151 ? 32.394 13.035 -39.485 1 108.796 ? 145 LYS B CA 1 2 +ATOM 2764 C C . LYS B 2 151 ? 31.256 13.157 -40.501 1 98.76 ? 145 LYS B C 1 2 +ATOM 2765 O O . LYS B 2 151 ? 31.499 13.208 -41.697 1 98.853 ? 145 LYS B O 1 2 +ATOM 2766 C CB . LYS B 2 151 ? 33.09 14.384 -39.29 1 115.848 ? 145 LYS B CB 1 2 +ATOM 2767 C CG . LYS B 2 151 ? 32.154 15.416 -38.654 1 128.151 ? 145 LYS B CG 1 2 +ATOM 2768 C CD . LYS B 2 151 ? 32.695 16.845 -38.523 1 137.412 ? 145 LYS B CD 1 2 +ATOM 2769 C CE . LYS B 2 151 ? 33.895 17.041 -37.619 1 133.792 ? 145 LYS B CE 1 2 +ATOM 2770 N NZ . LYS B 2 151 ? 34.739 18.166 -38.046 1 123.432 ? 145 LYS B NZ 1 2 +ATOM 2771 N N . VAL B 2 152 ? 30.012 13.211 -40.003 1 92.904 ? 146 VAL B N 1 2 +ATOM 2772 C CA . VAL B 2 152 ? 28.836 13.43 -40.831 1 90.638 ? 146 VAL B CA 1 2 +ATOM 2773 C C . VAL B 2 152 ? 28.158 14.722 -40.405 1 95.504 ? 146 VAL B C 1 2 +ATOM 2774 O O . VAL B 2 152 ? 27.78 14.849 -39.243 1 98.95 ? 146 VAL B O 1 2 +ATOM 2775 C CB . VAL B 2 152 ? 27.85 12.264 -40.664 1 91.401 ? 146 VAL B CB 1 2 +ATOM 2776 C CG1 . VAL B 2 152 ? 26.517 12.537 -41.362 1 97.237 ? 146 VAL B CG1 1 2 +ATOM 2777 C CG2 . VAL B 2 152 ? 28.465 10.956 -41.136 1 99.406 ? 146 VAL B CG2 1 2 +ATOM 2778 N N . GLN B 2 153 ? 27.961 15.653 -41.339 1 94.06 ? 147 GLN B N 1 2 +ATOM 2779 C CA . GLN B 2 153 ? 27.209 16.845 -40.996 1 98.086 ? 147 GLN B CA 1 2 +ATOM 2780 C C . GLN B 2 153 ? 25.919 16.864 -41.791 1 89.409 ? 147 GLN B C 1 2 +ATOM 2781 O O . GLN B 2 153 ? 25.918 16.538 -42.961 1 80.967 ? 147 GLN B O 1 2 +ATOM 2782 C CB . GLN B 2 153 ? 27.986 18.139 -41.186 1 102.112 ? 147 GLN B CB 1 2 +ATOM 2783 C CG . GLN B 2 153 ? 29.016 18.358 -40.085 1 112.434 ? 147 GLN B CG 1 2 +ATOM 2784 C CD . GLN B 2 153 ? 29.489 19.793 -40.01 1 128.293 ? 147 GLN B CD 1 2 +ATOM 2785 O OE1 . GLN B 2 153 ? 29.727 20.442 -41.037 1 150.241 ? 147 GLN B OE1 1 2 +ATOM 2786 N NE2 . GLN B 2 153 ? 29.639 20.294 -38.792 1 135.868 ? 147 GLN B NE2 1 2 +ATOM 2787 N N . TRP B 2 154 ? 24.844 17.25 -41.109 1 87.053 ? 148 TRP B N 1 2 +ATOM 2788 C CA . TRP B 2 154 ? 23.553 17.43 -41.728 1 83.31 ? 148 TRP B CA 1 2 +ATOM 2789 C C . TRP B 2 154 ? 23.323 18.906 -42.02 1 94.095 ? 148 TRP B C 1 2 +ATOM 2790 O O . TRP B 2 154 ? 23.416 19.731 -41.114 1 105.43 ? 148 TRP B O 1 2 +ATOM 2791 C CB . TRP B 2 154 ? 22.475 16.892 -40.792 1 77.501 ? 148 TRP B CB 1 2 +ATOM 2792 C CG . TRP B 2 154 ? 22.371 15.395 -40.82 1 78.944 ? 148 TRP B CG 1 2 +ATOM 2793 C CD1 . TRP B 2 154 ? 22.727 14.542 -39.825 1 88.062 ? 148 TRP B CD1 1 2 +ATOM 2794 C CD2 . TRP B 2 154 ? 21.813 14.571 -41.87 1 82.261 ? 148 TRP B CD2 1 2 +ATOM 2795 N NE1 . TRP B 2 154 ? 22.456 13.248 -40.189 1 90.896 ? 148 TRP B NE1 1 2 +ATOM 2796 C CE2 . TRP B 2 154 ? 21.892 13.232 -41.433 1 85.983 ? 148 TRP B CE2 1 2 +ATOM 2797 C CE3 . TRP B 2 154 ? 21.263 14.825 -43.131 1 83.117 ? 148 TRP B CE3 1 2 +ATOM 2798 C CZ2 . TRP B 2 154 ? 21.439 12.167 -42.207 1 84.319 ? 148 TRP B CZ2 1 2 +ATOM 2799 C CZ3 . TRP B 2 154 ? 20.812 13.771 -43.895 1 81.693 ? 148 TRP B CZ3 1 2 +ATOM 2800 C CH2 . TRP B 2 154 ? 20.872 12.465 -43.424 1 83.674 ? 148 TRP B CH2 1 2 +ATOM 2801 N N . LYS B 2 155 ? 23.015 19.212 -43.29 1 98.264 ? 149 LYS B N 1 2 +ATOM 2802 C CA . LYS B 2 155 ? 22.647 20.562 -43.686 1 100.958 ? 149 LYS B CA 1 2 +ATOM 2803 C C . LYS B 2 155 ? 21.255 20.514 -44.31 1 94.101 ? 149 LYS B C 1 2 +ATOM 2804 O O . LYS B 2 155 ? 21 19.727 -45.221 1 85.88 ? 149 LYS B O 1 2 +ATOM 2805 C CB . LYS B 2 155 ? 23.691 21.234 -44.586 1 101.243 ? 149 LYS B CB 1 2 +ATOM 2806 C CG . LYS B 2 155 ? 24.997 21.552 -43.862 1 112.853 ? 149 LYS B CG 1 2 +ATOM 2807 C CD . LYS B 2 155 ? 26.097 22.101 -44.763 1 126.333 ? 149 LYS B CD 1 2 +ATOM 2808 C CE . LYS B 2 155 ? 27.453 22.058 -44.124 1 129.799 ? 149 LYS B CE 1 2 +ATOM 2809 N NZ . LYS B 2 155 ? 28.456 22.673 -44.994 1 134.083 ? 149 LYS B NZ 1 2 +ATOM 2810 N N . VAL B 2 156 ? 20.358 21.329 -43.743 1 92.437 ? 150 VAL B N 1 2 +ATOM 2811 C CA . VAL B 2 156 ? 19.021 21.516 -44.268 1 92.845 ? 150 VAL B CA 1 2 +ATOM 2812 C C . VAL B 2 156 ? 18.913 22.976 -44.692 1 90.167 ? 150 VAL B C 1 2 +ATOM 2813 O O . VAL B 2 156 ? 18.921 23.852 -43.835 1 104.158 ? 150 VAL B O 1 2 +ATOM 2814 C CB . VAL B 2 156 ? 17.941 21.142 -43.229 1 91.092 ? 150 VAL B CB 1 2 +ATOM 2815 C CG1 . VAL B 2 156 ? 16.537 21.469 -43.735 1 97.866 ? 150 VAL B CG1 1 2 +ATOM 2816 C CG2 . VAL B 2 156 ? 18.025 19.682 -42.81 1 79.539 ? 150 VAL B CG2 1 2 +ATOM 2817 N N . ASP B 2 157 ? 18.82 23.221 -46.004 1 88.17 ? 151 ASP B N 1 2 +ATOM 2818 C CA . ASP B 2 157 ? 18.809 24.564 -46.558 1 96.458 ? 151 ASP B CA 1 2 +ATOM 2819 C C . ASP B 2 157 ? 20.118 25.253 -46.189 1 97.281 ? 151 ASP B C 1 2 +ATOM 2820 O O . ASP B 2 157 ? 20.116 26.418 -45.815 1 101.786 ? 151 ASP B O 1 2 +ATOM 2821 C CB . ASP B 2 157 ? 17.582 25.366 -46.133 1 102.828 ? 151 ASP B CB 1 2 +ATOM 2822 C CG . ASP B 2 157 ? 16.275 24.963 -46.805 1 104.139 ? 151 ASP B CG 1 2 +ATOM 2823 O OD1 . ASP B 2 157 ? 16.302 24.022 -47.626 1 92.905 ? 151 ASP B OD1 1 2 +ATOM 2824 O OD2 . ASP B 2 157 ? 15.228 25.577 -46.487 1 97.748 ? 151 ASP B OD2 1 2 +ATOM 2825 N N . ASN B 2 158 ? 21.226 24.507 -46.271 1 104.641 ? 152 ASN B N 1 2 +ATOM 2826 C CA . ASN B 2 158 ? 22.564 25.044 -46.06 1 102.351 ? 152 ASN B CA 1 2 +ATOM 2827 C C . ASN B 2 158 ? 22.773 25.432 -44.586 1 102.513 ? 152 ASN B C 1 2 +ATOM 2828 O O . ASN B 2 158 ? 23.714 26.143 -44.251 1 105.902 ? 152 ASN B O 1 2 +ATOM 2829 C CB . ASN B 2 158 ? 22.825 26.141 -47.094 1 95.337 ? 152 ASN B CB 1 2 +ATOM 2830 C CG . ASN B 2 158 ? 24.21 26.079 -47.682 1 101.398 ? 152 ASN B CG 1 2 +ATOM 2831 O OD1 . ASN B 2 158 ? 25.019 25.212 -47.326 1 122.15 ? 152 ASN B OD1 1 2 +ATOM 2832 N ND2 . ASN B 2 158 ? 24.492 26.964 -48.622 1 100.806 ? 152 ASN B ND2 1 2 +ATOM 2833 N N . ALA B 2 159 ? 21.938 24.909 -43.679 1 105.566 ? 153 ALA B N 1 2 +ATOM 2834 C CA . ALA B 2 159 ? 22.004 25.239 -42.264 1 107.92 ? 153 ALA B CA 1 2 +ATOM 2835 C C . ALA B 2 159 ? 22.311 23.969 -41.479 1 106.305 ? 153 ALA B C 1 2 +ATOM 2836 O O . ALA B 2 159 ? 21.656 22.959 -41.683 1 100.557 ? 153 ALA B O 1 2 +ATOM 2837 C CB . ALA B 2 159 ? 20.696 25.84 -41.811 1 105.619 ? 153 ALA B CB 1 2 +ATOM 2838 N N . LEU B 2 160 ? 23.274 24.059 -40.556 1 102.79 ? 154 LEU B N 1 2 +ATOM 2839 C CA . LEU B 2 160 ? 23.819 22.903 -39.863 1 95.002 ? 154 LEU B CA 1 2 +ATOM 2840 C C . LEU B 2 160 ? 22.852 22.478 -38.764 1 89.903 ? 154 LEU B C 1 2 +ATOM 2841 O O . LEU B 2 160 ? 22.398 23.3 -37.986 1 102.222 ? 154 LEU B O 1 2 +ATOM 2842 C CB . LEU B 2 160 ? 25.194 23.27 -39.301 1 102.658 ? 154 LEU B CB 1 2 +ATOM 2843 C CG . LEU B 2 160 ? 26.377 23.268 -40.286 1 104.403 ? 154 LEU B CG 1 2 +ATOM 2844 C CD1 . LEU B 2 160 ? 26.532 24.42 -41.274 1 92.605 ? 154 LEU B CD1 1 2 +ATOM 2845 C CD2 . LEU B 2 160 ? 27.64 23.159 -39.44 1 117.301 ? 154 LEU B CD2 1 2 +ATOM 2846 N N . GLN B 2 161 ? 22.553 21.184 -38.678 1 90.496 ? 155 GLN B N 1 2 +ATOM 2847 C CA . GLN B 2 161 ? 21.615 20.663 -37.693 1 99.867 ? 155 GLN B CA 1 2 +ATOM 2848 C C . GLN B 2 161 ? 22.363 20.183 -36.445 1 108.842 ? 155 GLN B C 1 2 +ATOM 2849 O O . GLN B 2 161 ? 23.486 19.69 -36.563 1 109.99 ? 155 GLN B O 1 2 +ATOM 2850 C CB . GLN B 2 161 ? 20.855 19.484 -38.31 1 97.537 ? 155 GLN B CB 1 2 +ATOM 2851 C CG . GLN B 2 161 ? 20.155 19.823 -39.614 1 86.3 ? 155 GLN B CG 1 2 +ATOM 2852 C CD . GLN B 2 161 ? 19.115 20.914 -39.447 1 84.546 ? 155 GLN B CD 1 2 +ATOM 2853 O OE1 . GLN B 2 161 ? 18.084 20.772 -38.785 1 81.886 ? 155 GLN B OE1 1 2 +ATOM 2854 N NE2 . GLN B 2 161 ? 19.396 22.051 -40.052 1 88.178 ? 155 GLN B NE2 1 2 +ATOM 2855 N N . SER B 2 162 ? 21.727 20.285 -35.265 1 108.239 ? 156 SER B N 1 2 +ATOM 2856 C CA . SER B 2 162 ? 22.31 19.749 -34.041 1 107.537 ? 156 SER B CA 1 2 +ATOM 2857 C C . SER B 2 162 ? 21.281 18.978 -33.227 1 107.19 ? 156 SER B C 1 2 +ATOM 2858 O O . SER B 2 162 ? 20.156 19.444 -33.084 1 96.591 ? 156 SER B O 1 2 +ATOM 2859 C CB . SER B 2 162 ? 22.888 20.836 -33.205 1 110.368 ? 156 SER B CB 1 2 +ATOM 2860 O OG . SER B 2 162 ? 23.856 21.531 -33.964 1 121.338 ? 156 SER B OG 1 2 +ATOM 2861 N N . GLY B 2 163 ? 21.697 17.815 -32.695 1 117.285 ? 157 GLY B N 1 2 +ATOM 2862 C CA . GLY B 2 163 ? 20.934 17.074 -31.702 1 126.578 ? 157 GLY B CA 1 2 +ATOM 2863 C C . GLY B 2 163 ? 19.592 16.567 -32.235 1 136.78 ? 157 GLY B C 1 2 +ATOM 2864 O O . GLY B 2 163 ? 18.695 16.267 -31.446 1 144.15 ? 157 GLY B O 1 2 +ATOM 2865 N N . ASN B 2 164 ? 19.468 16.457 -33.573 1 134.817 ? 158 ASN B N 1 2 +ATOM 2866 C CA . ASN B 2 164 ? 18.29 15.886 -34.22 1 117.429 ? 158 ASN B CA 1 2 +ATOM 2867 C C . ASN B 2 164 ? 18.685 14.734 -35.145 1 109.185 ? 158 ASN B C 1 2 +ATOM 2868 O O . ASN B 2 164 ? 17.878 14.317 -35.975 1 103.427 ? 158 ASN B O 1 2 +ATOM 2869 C CB . ASN B 2 164 ? 17.467 16.937 -34.955 1 109.057 ? 158 ASN B CB 1 2 +ATOM 2870 C CG . ASN B 2 164 ? 18.251 17.741 -35.972 1 112.039 ? 158 ASN B CG 1 2 +ATOM 2871 O OD1 . ASN B 2 164 ? 19.49 17.652 -36.062 1 115.099 ? 158 ASN B OD1 1 2 +ATOM 2872 N ND2 . ASN B 2 164 ? 17.533 18.557 -36.741 1 103.168 ? 158 ASN B ND2 1 2 +ATOM 2873 N N . SER B 2 165 ? 19.902 14.198 -34.958 1 103.07 ? 159 SER B N 1 2 +ATOM 2874 C CA . SER B 2 165 ? 20.388 13.05 -35.703 1 99.709 ? 159 SER B CA 1 2 +ATOM 2875 C C . SER B 2 165 ? 21.121 12.085 -34.767 1 100.708 ? 159 SER B C 1 2 +ATOM 2876 O O . SER B 2 165 ? 21.599 12.491 -33.71 1 103.549 ? 159 SER B O 1 2 +ATOM 2877 C CB . SER B 2 165 ? 21.261 13.495 -36.848 1 90.718 ? 159 SER B CB 1 2 +ATOM 2878 O OG . SER B 2 165 ? 22.327 14.294 -36.377 1 92.895 ? 159 SER B OG 1 2 +ATOM 2879 N N . GLN B 2 166 ? 21.2 10.807 -35.172 1 98.927 ? 160 GLN B N 1 2 +ATOM 2880 C CA . GLN B 2 166 ? 21.91 9.791 -34.415 1 98.694 ? 160 GLN B CA 1 2 +ATOM 2881 C C . GLN B 2 166 ? 22.708 8.905 -35.369 1 87.82 ? 160 GLN B C 1 2 +ATOM 2882 O O . GLN B 2 166 ? 22.197 8.505 -36.406 1 77.092 ? 160 GLN B O 1 2 +ATOM 2883 C CB . GLN B 2 166 ? 20.931 8.956 -33.594 1 102.387 ? 160 GLN B CB 1 2 +ATOM 2884 C CG . GLN B 2 166 ? 20.108 9.78 -32.613 1 106.076 ? 160 GLN B CG 1 2 +ATOM 2885 C CD . GLN B 2 166 ? 18.931 9.029 -32.033 1 107.596 ? 160 GLN B CD 1 2 +ATOM 2886 O OE1 . GLN B 2 166 ? 17.988 8.622 -32.729 1 119.262 ? 160 GLN B OE1 1 2 +ATOM 2887 N NE2 . GLN B 2 166 ? 18.972 8.865 -30.722 1 99.446 ? 160 GLN B NE2 1 2 +ATOM 2888 N N . GLU B 2 167 ? 23.967 8.62 -34.984 1 87.04 ? 161 GLU B N 1 2 +ATOM 2889 C CA . GLU B 2 167 ? 24.89 7.769 -35.726 1 79.139 ? 161 GLU B CA 1 2 +ATOM 2890 C C . GLU B 2 167 ? 24.783 6.332 -35.202 1 79.426 ? 161 GLU B C 1 2 +ATOM 2891 O O . GLU B 2 167 ? 24.347 6.07 -34.084 1 74.689 ? 161 GLU B O 1 2 +ATOM 2892 C CB . GLU B 2 167 ? 26.333 8.3 -35.677 1 74.846 ? 161 GLU B CB 1 2 +ATOM 2893 C CG . GLU B 2 167 ? 26.529 9.594 -36.478 1 87.125 ? 161 GLU B CG 1 2 +ATOM 2894 C CD . GLU B 2 167 ? 27.911 10.233 -36.635 1 99.606 ? 161 GLU B CD 1 2 +ATOM 2895 O OE1 . GLU B 2 167 ? 27.993 11.362 -37.215 1 111.829 ? 161 GLU B OE1 1 2 +ATOM 2896 O OE2 . GLU B 2 167 ? 28.91 9.603 -36.212 1 100.268 ? 161 GLU B OE2 1 2 +ATOM 2897 N N . SER B 2 168 ? 25.172 5.381 -36.047 1 77.658 ? 162 SER B N 1 2 +ATOM 2898 C CA . SER B 2 168 ? 25.3 4.002 -35.616 1 77.239 ? 162 SER B CA 1 2 +ATOM 2899 C C . SER B 2 168 ? 26.322 3.307 -36.505 1 84.204 ? 162 SER B C 1 2 +ATOM 2900 O O . SER B 2 168 ? 26.223 3.37 -37.733 1 92.519 ? 162 SER B O 1 2 +ATOM 2901 C CB . SER B 2 168 ? 23.983 3.302 -35.654 1 76.784 ? 162 SER B CB 1 2 +ATOM 2902 O OG . SER B 2 168 ? 24.063 2.048 -34.992 1 83.789 ? 162 SER B OG 1 2 +ATOM 2903 N N . VAL B 2 169 ? 27.303 2.643 -35.87 1 83.424 ? 163 VAL B N 1 2 +ATOM 2904 C CA . VAL B 2 169 ? 28.405 2.013 -36.586 1 80.976 ? 163 VAL B CA 1 2 +ATOM 2905 C C . VAL B 2 169 ? 28.292 0.495 -36.47 1 79.504 ? 163 VAL B C 1 2 +ATOM 2906 O O . VAL B 2 169 ? 27.954 -0.008 -35.415 1 84.678 ? 163 VAL B O 1 2 +ATOM 2907 C CB . VAL B 2 169 ? 29.761 2.508 -36.053 1 80.159 ? 163 VAL B CB 1 2 +ATOM 2908 C CG1 . VAL B 2 169 ? 30.87 2.128 -37.02 1 80.909 ? 163 VAL B CG1 1 2 +ATOM 2909 C CG2 . VAL B 2 169 ? 29.754 4.016 -35.83 1 90.818 ? 163 VAL B CG2 1 2 +ATOM 2910 N N . THR B 2 170 ? 28.574 -0.245 -37.553 1 82.562 ? 164 THR B N 1 2 +ATOM 2911 C CA . THR B 2 170 ? 28.662 -1.699 -37.488 1 80.816 ? 164 THR B CA 1 2 +ATOM 2912 C C . THR B 2 170 ? 30.032 -2.114 -36.95 1 84.395 ? 164 THR B C 1 2 +ATOM 2913 O O . THR B 2 170 ? 30.957 -1.312 -36.83 1 92.883 ? 164 THR B O 1 2 +ATOM 2914 C CB . THR B 2 170 ? 28.418 -2.307 -38.864 1 91.312 ? 164 THR B CB 1 2 +ATOM 2915 O OG1 . THR B 2 170 ? 29.289 -1.652 -39.776 1 80.789 ? 164 THR B OG1 1 2 +ATOM 2916 C CG2 . THR B 2 170 ? 26.992 -2.101 -39.338 1 113.679 ? 164 THR B CG2 1 2 +ATOM 2917 N N . GLU B 2 171 ? 30.172 -3.388 -36.59 1 81.254 ? 165 GLU B N 1 2 +ATOM 2918 C CA . GLU B 2 171 ? 31.477 -3.873 -36.181 1 88.97 ? 165 GLU B CA 1 2 +ATOM 2919 C C . GLU B 2 171 ? 32.34 -4.038 -37.443 1 82.746 ? 165 GLU B C 1 2 +ATOM 2920 O O . GLU B 2 171 ? 31.821 -4.034 -38.56 1 82.821 ? 165 GLU B O 1 2 +ATOM 2921 C CB . GLU B 2 171 ? 31.222 -5.115 -35.318 1 99.311 ? 165 GLU B CB 1 2 +ATOM 2922 C CG . GLU B 2 171 ? 30.6 -4.843 -33.944 1 112.138 ? 165 GLU B CG 1 2 +ATOM 2923 C CD . GLU B 2 171 ? 31.501 -4.319 -32.812 1 131.171 ? 165 GLU B CD 1 2 +ATOM 2924 O OE1 . GLU B 2 171 ? 31.017 -4.231 -31.647 1 116.705 ? 165 GLU B OE1 1 2 +ATOM 2925 O OE2 . GLU B 2 171 ? 32.694 -3.986 -33.031 1 133.906 ? 165 GLU B OE2 1 2 +ATOM 2926 N N . GLN B 2 172 ? 33.661 -4.232 -37.294 1 68.115 ? 166 GLN B N 1 2 +ATOM 2927 C CA . GLN B 2 172 ? 34.515 -4.463 -38.455 1 64.56 ? 166 GLN B CA 1 2 +ATOM 2928 C C . GLN B 2 172 ? 33.988 -5.578 -39.356 1 66.531 ? 166 GLN B C 1 2 +ATOM 2929 O O . GLN B 2 172 ? 33.62 -6.633 -38.877 1 77.237 ? 166 GLN B O 1 2 +ATOM 2930 C CB . GLN B 2 172 ? 35.939 -4.788 -38.031 1 64.202 ? 166 GLN B CB 1 2 +ATOM 2931 C CG . GLN B 2 172 ? 36.89 -3.677 -38.44 1 77.493 ? 166 GLN B CG 1 2 +ATOM 2932 C CD . GLN B 2 172 ? 38.291 -3.882 -37.935 1 83.69 ? 166 GLN B CD 1 2 +ATOM 2933 O OE1 . GLN B 2 172 ? 38.504 -4.412 -36.843 1 82.418 ? 166 GLN B OE1 1 2 +ATOM 2934 N NE2 . GLN B 2 172 ? 39.25 -3.436 -38.724 1 93.603 ? 166 GLN B NE2 1 2 +ATOM 2935 N N . ASP B 2 173 ? 33.979 -5.384 -40.677 1 80.666 ? 167 ASP B N 1 2 +ATOM 2936 C CA . ASP B 2 173 ? 33.519 -6.429 -41.58 1 94.583 ? 167 ASP B CA 1 2 +ATOM 2937 C C . ASP B 2 173 ? 34.555 -7.539 -41.567 1 106.419 ? 167 ASP B C 1 2 +ATOM 2938 O O . ASP B 2 173 ? 35.75 -7.265 -41.431 1 103.58 ? 167 ASP B O 1 2 +ATOM 2939 C CB . ASP B 2 173 ? 33.274 -5.94 -43 1 107.154 ? 167 ASP B CB 1 2 +ATOM 2940 C CG . ASP B 2 173 ? 32.506 -6.874 -43.932 1 113.336 ? 167 ASP B CG 1 2 +ATOM 2941 O OD1 . ASP B 2 173 ? 31.926 -7.897 -43.469 1 107.944 ? 167 ASP B OD1 1 2 +ATOM 2942 O OD2 . ASP B 2 173 ? 32.492 -6.574 -45.144 1 123.051 ? 167 ASP B OD2 1 2 +ATOM 2943 N N . SER B 2 174 ? 34.058 -8.779 -41.72 1 128.289 ? 168 SER B N 1 2 +ATOM 2944 C CA . SER B 2 174 ? 34.874 -9.986 -41.718 1 119.816 ? 168 SER B CA 1 2 +ATOM 2945 C C . SER B 2 174 ? 35.722 -10.087 -42.996 1 118.799 ? 168 SER B C 1 2 +ATOM 2946 O O . SER B 2 174 ? 36.777 -10.721 -42.95 1 98.93 ? 168 SER B O 1 2 +ATOM 2947 C CB . SER B 2 174 ? 34.003 -11.197 -41.525 1 106.265 ? 168 SER B CB 1 2 +ATOM 2948 O OG . SER B 2 174 ? 32.95 -11.173 -42.483 1 121.748 ? 168 SER B OG 1 2 +ATOM 2949 N N . LYS B 2 175 ? 35.306 -9.405 -44.09 1 111.984 ? 169 LYS B N 1 2 +ATOM 2950 C CA . LYS B 2 175 ? 35.979 -9.463 -45.384 1 93.485 ? 169 LYS B CA 1 2 +ATOM 2951 C C . LYS B 2 175 ? 36.893 -8.254 -45.575 1 87.312 ? 169 LYS B C 1 2 +ATOM 2952 O O . LYS B 2 175 ? 38.065 -8.425 -45.892 1 93.806 ? 169 LYS B O 1 2 +ATOM 2953 C CB . LYS B 2 175 ? 35.031 -9.48 -46.595 1 97.913 ? 169 LYS B CB 1 2 +ATOM 2954 C CG . LYS B 2 175 ? 33.593 -9.97 -46.394 1 126.521 ? 169 LYS B CG 1 2 +ATOM 2955 C CD . LYS B 2 175 ? 33.254 -11.393 -45.983 1 147.06 ? 169 LYS B CD 1 2 +ATOM 2956 C CE . LYS B 2 175 ? 31.78 -11.425 -45.709 1 149.016 ? 169 LYS B CE 1 2 +ATOM 2957 N NZ . LYS B 2 175 ? 31.322 -12.784 -45.418 1 143.172 ? 169 LYS B NZ 1 2 +ATOM 2958 N N . ASP B 2 176 ? 36.322 -7.044 -45.438 1 95.892 ? 170 ASP B N 1 2 +ATOM 2959 C CA . ASP B 2 176 ? 36.973 -5.791 -45.796 1 86.033 ? 170 ASP B CA 1 2 +ATOM 2960 C C . ASP B 2 176 ? 37.815 -5.294 -44.627 1 85.455 ? 170 ASP B C 1 2 +ATOM 2961 O O . ASP B 2 176 ? 38.829 -4.643 -44.826 1 85.508 ? 170 ASP B O 1 2 +ATOM 2962 C CB . ASP B 2 176 ? 35.963 -4.732 -46.224 1 81.846 ? 170 ASP B CB 1 2 +ATOM 2963 C CG . ASP B 2 176 ? 36.029 -4.253 -47.672 1 95.616 ? 170 ASP B CG 1 2 +ATOM 2964 O OD1 . ASP B 2 176 ? 37.123 -3.797 -48.079 1 117.584 ? 170 ASP B OD1 1 2 +ATOM 2965 O OD2 . ASP B 2 176 ? 34.986 -4.275 -48.378 1 89.954 ? 170 ASP B OD2 1 2 +ATOM 2966 N N . SER B 2 177 ? 37.368 -5.574 -43.404 1 89.316 ? 171 SER B N 1 2 +ATOM 2967 C CA . SER B 2 177 ? 37.972 -5.01 -42.209 1 92.236 ? 171 SER B CA 1 2 +ATOM 2968 C C . SER B 2 177 ? 37.634 -3.523 -42.083 1 88.511 ? 171 SER B C 1 2 +ATOM 2969 O O . SER B 2 177 ? 38.399 -2.771 -41.48 1 99.925 ? 171 SER B O 1 2 +ATOM 2970 C CB . SER B 2 177 ? 39.456 -5.275 -42.14 1 81.033 ? 171 SER B CB 1 2 +ATOM 2971 O OG . SER B 2 177 ? 39.666 -6.569 -41.617 1 88.415 ? 171 SER B OG 1 2 +ATOM 2972 N N . THR B 2 178 ? 36.443 -3.15 -42.582 1 77.797 ? 172 THR B N 1 2 +ATOM 2973 C CA . THR B 2 178 ? 35.977 -1.774 -42.64 1 80.513 ? 172 THR B CA 1 2 +ATOM 2974 C C . THR B 2 178 ? 34.69 -1.61 -41.832 1 81.416 ? 172 THR B C 1 2 +ATOM 2975 O O . THR B 2 178 ? 33.997 -2.576 -41.529 1 86.681 ? 172 THR B O 1 2 +ATOM 2976 C CB . THR B 2 178 ? 35.744 -1.383 -44.098 1 80.027 ? 172 THR B CB 1 2 +ATOM 2977 O OG1 . THR B 2 178 ? 34.757 -2.285 -44.57 1 88.253 ? 172 THR B OG1 1 2 +ATOM 2978 C CG2 . THR B 2 178 ? 37.018 -1.432 -44.925 1 89.105 ? 172 THR B CG2 1 2 +ATOM 2979 N N . TYR B 2 179 ? 34.364 -0.35 -41.523 1 87.313 ? 173 TYR B N 1 2 +ATOM 2980 C CA . TYR B 2 179 ? 33.158 0.009 -40.796 1 78.656 ? 173 TYR B CA 1 2 +ATOM 2981 C C . TYR B 2 179 ? 32.121 0.554 -41.769 1 73.657 ? 173 TYR B C 1 2 +ATOM 2982 O O . TYR B 2 179 ? 32.42 0.905 -42.9 1 77.18 ? 173 TYR B O 1 2 +ATOM 2983 C CB . TYR B 2 179 ? 33.455 1.023 -39.684 1 73.876 ? 173 TYR B CB 1 2 +ATOM 2984 C CG . TYR B 2 179 ? 34.472 0.508 -38.675 1 77.237 ? 173 TYR B CG 1 2 +ATOM 2985 C CD1 . TYR B 2 179 ? 34.08 -0.278 -37.592 1 77.73 ? 173 TYR B CD1 1 2 +ATOM 2986 C CD2 . TYR B 2 179 ? 35.824 0.783 -38.816 1 79.613 ? 173 TYR B CD2 1 2 +ATOM 2987 C CE1 . TYR B 2 179 ? 35.005 -0.785 -36.692 1 81.659 ? 173 TYR B CE1 1 2 +ATOM 2988 C CE2 . TYR B 2 179 ? 36.756 0.269 -37.927 1 88.851 ? 173 TYR B CE2 1 2 +ATOM 2989 C CZ . TYR B 2 179 ? 36.347 -0.508 -36.859 1 85.231 ? 173 TYR B CZ 1 2 +ATOM 2990 O OH . TYR B 2 179 ? 37.269 -0.997 -35.982 1 104.55 ? 173 TYR B OH 1 2 +ATOM 2991 N N . SER B 2 180 ? 30.88 0.584 -41.293 1 75.906 ? 174 SER B N 1 2 +ATOM 2992 C CA . SER B 2 180 ? 29.781 1.198 -42.012 1 78.482 ? 174 SER B CA 1 2 +ATOM 2993 C C . SER B 2 180 ? 28.982 2.025 -41.018 1 75.827 ? 174 SER B C 1 2 +ATOM 2994 O O . SER B 2 180 ? 28.903 1.661 -39.845 1 75.385 ? 174 SER B O 1 2 +ATOM 2995 C CB . SER B 2 180 ? 28.946 0.176 -42.712 1 84.136 ? 174 SER B CB 1 2 +ATOM 2996 O OG . SER B 2 180 ? 29.655 -0.359 -43.831 1 105.072 ? 174 SER B OG 1 2 +ATOM 2997 N N . LEU B 2 181 ? 28.46 3.167 -41.472 1 67.259 ? 175 LEU B N 1 2 +ATOM 2998 C CA . LEU B 2 181 ? 27.814 4.1 -40.562 1 73.748 ? 175 LEU B CA 1 2 +ATOM 2999 C C . LEU B 2 181 ? 26.446 4.475 -41.12 1 73.501 ? 175 LEU B C 1 2 +ATOM 3000 O O . LEU B 2 181 ? 26.268 4.564 -42.331 1 72.837 ? 175 LEU B O 1 2 +ATOM 3001 C CB . LEU B 2 181 ? 28.695 5.334 -40.368 1 84.042 ? 175 LEU B CB 1 2 +ATOM 3002 C CG . LEU B 2 181 ? 28.459 6.167 -39.098 1 88.42 ? 175 LEU B CG 1 2 +ATOM 3003 C CD1 . LEU B 2 181 ? 29.772 6.591 -38.433 1 86.8 ? 175 LEU B CD1 1 2 +ATOM 3004 C CD2 . LEU B 2 181 ? 27.658 7.428 -39.396 1 95.155 ? 175 LEU B CD2 1 2 +ATOM 3005 N N . SER B 2 182 ? 25.502 4.758 -40.22 1 74.69 ? 176 SER B N 1 2 +ATOM 3006 C CA . SER B 2 182 ? 24.185 5.213 -40.616 1 76.597 ? 176 SER B CA 1 2 +ATOM 3007 C C . SER B 2 182 ? 23.765 6.362 -39.723 1 81.037 ? 176 SER B C 1 2 +ATOM 3008 O O . SER B 2 182 ? 23.541 6.136 -38.541 1 86.113 ? 176 SER B O 1 2 +ATOM 3009 C CB . SER B 2 182 ? 23.199 4.109 -40.519 1 80.233 ? 176 SER B CB 1 2 +ATOM 3010 O OG . SER B 2 182 ? 21.917 4.56 -40.909 1 80.942 ? 176 SER B OG 1 2 +ATOM 3011 N N . SER B 2 183 ? 23.668 7.566 -40.302 1 89.607 ? 177 SER B N 1 2 +ATOM 3012 C CA . SER B 2 183 ? 23.17 8.725 -39.573 1 93.047 ? 177 SER B CA 1 2 +ATOM 3013 C C . SER B 2 183 ? 21.714 8.983 -39.962 1 85.757 ? 177 SER B C 1 2 +ATOM 3014 O O . SER B 2 183 ? 21.392 8.996 -41.136 1 77.005 ? 177 SER B O 1 2 +ATOM 3015 C CB . SER B 2 183 ? 24.047 9.932 -39.81 1 87.641 ? 177 SER B CB 1 2 +ATOM 3016 O OG . SER B 2 183 ? 24.006 10.814 -38.692 1 86.267 ? 177 SER B OG 1 2 +ATOM 3017 N N . THR B 2 184 ? 20.822 9.146 -38.983 1 86.561 ? 178 THR B N 1 2 +ATOM 3018 C CA . THR B 2 184 ? 19.404 9.317 -39.274 1 91.866 ? 178 THR B CA 1 2 +ATOM 3019 C C . THR B 2 184 ? 18.933 10.644 -38.688 1 92.099 ? 178 THR B C 1 2 +ATOM 3020 O O . THR B 2 184 ? 18.878 10.803 -37.478 1 102.958 ? 178 THR B O 1 2 +ATOM 3021 C CB . THR B 2 184 ? 18.558 8.165 -38.728 1 89.463 ? 178 THR B CB 1 2 +ATOM 3022 O OG1 . THR B 2 184 ? 18.933 7.012 -39.475 1 86.461 ? 178 THR B OG1 1 2 +ATOM 3023 C CG2 . THR B 2 184 ? 17.063 8.419 -38.87 1 90.345 ? 178 THR B CG2 1 2 +ATOM 3024 N N . LEU B 2 185 ? 18.556 11.57 -39.572 1 88.2 ? 179 LEU B N 1 2 +ATOM 3025 C CA . LEU B 2 185 ? 18.038 12.87 -39.196 1 80.918 ? 179 LEU B CA 1 2 +ATOM 3026 C C . LEU B 2 185 ? 16.528 12.774 -39.151 1 82.931 ? 179 LEU B C 1 2 +ATOM 3027 O O . LEU B 2 185 ? 15.916 12.393 -40.142 1 77.783 ? 179 LEU B O 1 2 +ATOM 3028 C CB . LEU B 2 185 ? 18.478 13.85 -40.274 1 91.264 ? 179 LEU B CB 1 2 +ATOM 3029 C CG . LEU B 2 185 ? 17.906 15.263 -40.172 1 94.238 ? 179 LEU B CG 1 2 +ATOM 3030 C CD1 . LEU B 2 185 ? 18.473 15.932 -38.944 1 97.463 ? 179 LEU B CD1 1 2 +ATOM 3031 C CD2 . LEU B 2 185 ? 18.205 16.045 -41.444 1 90.737 ? 179 LEU B CD2 1 2 +ATOM 3032 N N . THR B 2 186 ? 15.939 13.091 -37.998 1 93.753 ? 180 THR B N 1 2 +ATOM 3033 C CA . THR B 2 186 ? 14.5 12.95 -37.852 1 90.191 ? 180 THR B CA 1 2 +ATOM 3034 C C . THR B 2 186 ? 13.888 14.322 -37.633 1 83.852 ? 180 THR B C 1 2 +ATOM 3035 O O . THR B 2 186 ? 14.315 15.035 -36.741 1 80.547 ? 180 THR B O 1 2 +ATOM 3036 C CB . THR B 2 186 ? 14.15 11.998 -36.714 1 91.714 ? 180 THR B CB 1 2 +ATOM 3037 O OG1 . THR B 2 186 ? 14.728 10.739 -37.052 1 97.336 ? 180 THR B OG1 1 2 +ATOM 3038 C CG2 . THR B 2 186 ? 12.649 11.818 -36.582 1 100.384 ? 180 THR B CG2 1 2 +ATOM 3039 N N . LEU B 2 187 ? 12.905 14.669 -38.47 1 91.196 ? 181 LEU B N 1 2 +ATOM 3040 C CA . LEU B 2 187 ? 12.1 15.871 -38.297 1 89.292 ? 181 LEU B CA 1 2 +ATOM 3041 C C . LEU B 2 187 ? 10.619 15.494 -38.317 1 91.085 ? 181 LEU B C 1 2 +ATOM 3042 O O . LEU B 2 187 ? 10.225 14.422 -38.808 1 104.185 ? 181 LEU B O 1 2 +ATOM 3043 C CB . LEU B 2 187 ? 12.318 16.904 -39.401 1 93.951 ? 181 LEU B CB 1 2 +ATOM 3044 C CG . LEU B 2 187 ? 13.725 17.061 -39.98 1 104.533 ? 181 LEU B CG 1 2 +ATOM 3045 C CD1 . LEU B 2 187 ? 13.608 17.975 -41.212 1 102.536 ? 181 LEU B CD1 1 2 +ATOM 3046 C CD2 . LEU B 2 187 ? 14.759 17.593 -38.966 1 110.704 ? 181 LEU B CD2 1 2 +ATOM 3047 N N . SER B 2 188 ? 9.8 16.459 -37.897 1 87.438 ? 182 SER B N 1 2 +ATOM 3048 C CA . SER B 2 188 ? 8.368 16.42 -38.124 1 88.782 ? 182 SER B CA 1 2 +ATOM 3049 C C . SER B 2 188 ? 8.055 16.489 -39.625 1 92.345 ? 182 SER B C 1 2 +ATOM 3050 O O . SER B 2 188 ? 8.863 16.995 -40.4 1 86.969 ? 182 SER B O 1 2 +ATOM 3051 C CB . SER B 2 188 ? 7.729 17.55 -37.378 1 88.669 ? 182 SER B CB 1 2 +ATOM 3052 O OG . SER B 2 188 ? 6.339 17.604 -37.65 1 94.658 ? 182 SER B OG 1 2 +ATOM 3053 N N . LYS B 2 189 ? 6.884 15.963 -40.039 1 102.58 ? 183 LYS B N 1 2 +ATOM 3054 C CA . LYS B 2 189 ? 6.434 16.063 -41.426 1 102.344 ? 183 LYS B CA 1 2 +ATOM 3055 C C . LYS B 2 189 ? 6.21 17.538 -41.79 1 102.177 ? 183 LYS B C 1 2 +ATOM 3056 O O . LYS B 2 189 ? 6.514 17.971 -42.905 1 91.963 ? 183 LYS B O 1 2 +ATOM 3057 C CB . LYS B 2 189 ? 5.158 15.243 -41.68 1 106.808 ? 183 LYS B CB 1 2 +ATOM 3058 C CG . LYS B 2 189 ? 4.741 15.06 -43.143 1 104.551 ? 183 LYS B CG 1 2 +ATOM 3059 C CD . LYS B 2 189 ? 3.235 14.946 -43.365 1 115.107 ? 183 LYS B CD 1 2 +ATOM 3060 C CE . LYS B 2 189 ? 2.864 14.691 -44.78 1 123.483 ? 183 LYS B CE 1 2 +ATOM 3061 N NZ . LYS B 2 189 ? 1.421 14.725 -45.032 1 137.317 ? 183 LYS B NZ 1 2 +ATOM 3062 N N . ALA B 2 190 ? 5.655 18.299 -40.836 1 96.813 ? 184 ALA B N 1 2 +ATOM 3063 C CA . ALA B 2 190 ? 5.454 19.732 -40.979 1 89.9 ? 184 ALA B CA 1 2 +ATOM 3064 C C . ALA B 2 190 ? 6.788 20.437 -41.25 1 86.883 ? 184 ALA B C 1 2 +ATOM 3065 O O . ALA B 2 190 ? 6.857 21.276 -42.144 1 92.946 ? 184 ALA B O 1 2 +ATOM 3066 C CB . ALA B 2 190 ? 4.751 20.266 -39.743 1 86.699 ? 184 ALA B CB 1 2 +ATOM 3067 N N . ASP B 2 191 ? 7.829 20.11 -40.469 1 88.068 ? 185 ASP B N 1 2 +ATOM 3068 C CA . ASP B 2 191 ? 9.148 20.72 -40.574 1 97.508 ? 185 ASP B CA 1 2 +ATOM 3069 C C . ASP B 2 191 ? 9.805 20.301 -41.891 1 98.256 ? 185 ASP B C 1 2 +ATOM 3070 O O . ASP B 2 191 ? 10.501 21.101 -42.525 1 110.065 ? 185 ASP B O 1 2 +ATOM 3071 C CB . ASP B 2 191 ? 10.024 20.401 -39.365 1 108.585 ? 185 ASP B CB 1 2 +ATOM 3072 C CG . ASP B 2 191 ? 9.63 21.059 -38.04 1 122.171 ? 185 ASP B CG 1 2 +ATOM 3073 O OD1 . ASP B 2 191 ? 9.415 22.29 -38.023 1 112.477 ? 185 ASP B OD1 1 2 +ATOM 3074 O OD2 . ASP B 2 191 ? 9.566 20.348 -37.006 1 137.162 ? 185 ASP B OD2 1 2 +ATOM 3075 N N . TYR B 2 192 ? 9.584 19.047 -42.301 1 95.438 ? 186 TYR B N 1 2 +ATOM 3076 C CA . TYR B 2 192 ? 10.168 18.527 -43.529 1 95.172 ? 186 TYR B CA 1 2 +ATOM 3077 C C . TYR B 2 192 ? 9.602 19.275 -44.736 1 91.869 ? 186 TYR B C 1 2 +ATOM 3078 O O . TYR B 2 192 ? 10.358 19.657 -45.613 1 85.515 ? 186 TYR B O 1 2 +ATOM 3079 C CB . TYR B 2 192 ? 9.96 17.011 -43.642 1 96.966 ? 186 TYR B CB 1 2 +ATOM 3080 C CG . TYR B 2 192 ? 10.454 16.39 -44.946 1 86.826 ? 186 TYR B CG 1 2 +ATOM 3081 C CD1 . TYR B 2 192 ? 11.808 16.181 -45.177 1 81.401 ? 186 TYR B CD1 1 2 +ATOM 3082 C CD2 . TYR B 2 192 ? 9.557 15.984 -45.933 1 80.352 ? 186 TYR B CD2 1 2 +ATOM 3083 C CE1 . TYR B 2 192 ? 12.251 15.628 -46.37 1 82.754 ? 186 TYR B CE1 1 2 +ATOM 3084 C CE2 . TYR B 2 192 ? 9.99 15.449 -47.134 1 77.963 ? 186 TYR B CE2 1 2 +ATOM 3085 C CZ . TYR B 2 192 ? 11.34 15.275 -47.357 1 80.48 ? 186 TYR B CZ 1 2 +ATOM 3086 O OH . TYR B 2 192 ? 11.675 14.7 -48.547 1 79.869 ? 186 TYR B OH 1 2 +ATOM 3087 N N . GLU B 2 193 ? 8.275 19.454 -44.789 1 96.668 ? 187 GLU B N 1 2 +ATOM 3088 C CA . GLU B 2 193 ? 7.616 20.11 -45.911 1 99.227 ? 187 GLU B CA 1 2 +ATOM 3089 C C . GLU B 2 193 ? 8.022 21.592 -45.994 1 97.991 ? 187 GLU B C 1 2 +ATOM 3090 O O . GLU B 2 193 ? 7.694 22.244 -46.983 1 89.807 ? 187 GLU B O 1 2 +ATOM 3091 C CB . GLU B 2 193 ? 6.089 19.972 -45.823 1 108.935 ? 187 GLU B CB 1 2 +ATOM 3092 C CG . GLU B 2 193 ? 5.508 18.557 -45.915 1 109.278 ? 187 GLU B CG 1 2 +ATOM 3093 C CD . GLU B 2 193 ? 3.989 18.417 -45.697 1 118.085 ? 187 GLU B CD 1 2 +ATOM 3094 O OE1 . GLU B 2 193 ? 3.369 17.662 -46.501 1 119.532 ? 187 GLU B OE1 1 2 +ATOM 3095 O OE2 . GLU B 2 193 ? 3.39 19.025 -44.757 1 115.885 ? 187 GLU B OE2 1 2 +ATOM 3096 N N . LYS B 2 194 ? 8.711 22.135 -44.969 1 97.374 ? 188 LYS B N 1 2 +ATOM 3097 C CA . LYS B 2 194 ? 9.049 23.552 -44.895 1 98.031 ? 188 LYS B CA 1 2 +ATOM 3098 C C . LYS B 2 194 ? 10.346 23.832 -45.654 1 91.172 ? 188 LYS B C 1 2 +ATOM 3099 O O . LYS B 2 194 ? 10.497 24.901 -46.226 1 99.492 ? 188 LYS B O 1 2 +ATOM 3100 C CB . LYS B 2 194 ? 9.172 24.097 -43.457 1 108.039 ? 188 LYS B CB 1 2 +ATOM 3101 C CG . LYS B 2 194 ? 9.259 25.648 -43.344 1 122.817 ? 188 LYS B CG 1 2 +ATOM 3102 C CD . LYS B 2 194 ? 9.888 26.33 -42.121 1 127.151 ? 188 LYS B CD 1 2 +ATOM 3103 C CE . LYS B 2 194 ? 9.364 25.954 -40.748 1 134.674 ? 188 LYS B CE 1 2 +ATOM 3104 N NZ . LYS B 2 194 ? 9.908 24.737 -40.112 1 133.183 ? 188 LYS B NZ 1 2 +ATOM 3105 N N . HIS B 2 195 ? 11.278 22.882 -45.677 1 85.731 ? 189 HIS B N 1 2 +ATOM 3106 C CA . HIS B 2 195 ? 12.573 23.122 -46.289 1 90.054 ? 189 HIS B CA 1 2 +ATOM 3107 C C . HIS B 2 195 ? 12.764 22.268 -47.548 1 82.139 ? 189 HIS B C 1 2 +ATOM 3108 O O . HIS B 2 195 ? 12.056 21.284 -47.748 1 71.721 ? 189 HIS B O 1 2 +ATOM 3109 C CB . HIS B 2 195 ? 13.654 22.904 -45.231 1 95.269 ? 189 HIS B CB 1 2 +ATOM 3110 C CG . HIS B 2 195 ? 13.606 23.894 -44.124 1 92.215 ? 189 HIS B CG 1 2 +ATOM 3111 N ND1 . HIS B 2 195 ? 13.848 25.242 -44.29 1 85.691 ? 189 HIS B ND1 1 2 +ATOM 3112 C CD2 . HIS B 2 195 ? 13.283 23.721 -42.85 1 94.604 ? 189 HIS B CD2 1 2 +ATOM 3113 C CE1 . HIS B 2 195 ? 13.773 25.849 -43.112 1 93.272 ? 189 HIS B CE1 1 2 +ATOM 3114 N NE2 . HIS B 2 195 ? 13.467 24.938 -42.217 1 100.755 ? 189 HIS B NE2 1 2 +ATOM 3115 N N . LYS B 2 196 ? 13.786 22.614 -48.352 1 81.233 ? 190 LYS B N 1 2 +ATOM 3116 C CA . LYS B 2 196 ? 13.955 22.03 -49.673 1 80.653 ? 190 LYS B CA 1 2 +ATOM 3117 C C . LYS B 2 196 ? 15.184 21.129 -49.739 1 78.922 ? 190 LYS B C 1 2 +ATOM 3118 O O . LYS B 2 196 ? 15.059 19.942 -50.059 1 85.136 ? 190 LYS B O 1 2 +ATOM 3119 C CB . LYS B 2 196 ? 13.998 23.073 -50.789 1 81.971 ? 190 LYS B CB 1 2 +ATOM 3120 C CG . LYS B 2 196 ? 13.727 22.547 -52.199 1 90.601 ? 190 LYS B CG 1 2 +ATOM 3121 C CD . LYS B 2 196 ? 12.357 21.93 -52.488 1 99.204 ? 190 LYS B CD 1 2 +ATOM 3122 C CE . LYS B 2 196 ? 11.934 21.938 -53.964 1 104.86 ? 190 LYS B CE 1 2 +ATOM 3123 N NZ . LYS B 2 196 ? 12.836 21.161 -54.845 1 114.248 ? 190 LYS B NZ 1 2 +ATOM 3124 N N . VAL B 2 197 ? 16.369 21.672 -49.45 1 79.461 ? 191 VAL B N 1 2 +ATOM 3125 C CA . VAL B 2 197 ? 17.606 20.935 -49.71 1 86.73 ? 191 VAL B CA 1 2 +ATOM 3126 C C . VAL B 2 197 ? 18.092 20.156 -48.476 1 80.914 ? 191 VAL B C 1 2 +ATOM 3127 O O . VAL B 2 197 ? 18.544 20.751 -47.5 1 89.116 ? 191 VAL B O 1 2 +ATOM 3128 C CB . VAL B 2 197 ? 18.699 21.91 -50.201 1 83.987 ? 191 VAL B CB 1 2 +ATOM 3129 C CG1 . VAL B 2 197 ? 20.008 21.181 -50.513 1 81.039 ? 191 VAL B CG1 1 2 +ATOM 3130 C CG2 . VAL B 2 197 ? 18.211 22.787 -51.354 1 77.691 ? 191 VAL B CG2 1 2 +ATOM 3131 N N . TYR B 2 198 ? 18.126 18.817 -48.565 1 70.509 ? 192 TYR B N 1 2 +ATOM 3132 C CA . TYR B 2 198 ? 18.565 17.975 -47.464 1 66.913 ? 192 TYR B CA 1 2 +ATOM 3133 C C . TYR B 2 198 ? 19.857 17.275 -47.838 1 67.035 ? 192 TYR B C 1 2 +ATOM 3134 O O . TYR B 2 198 ? 19.924 16.67 -48.897 1 67.703 ? 192 TYR B O 1 2 +ATOM 3135 C CB . TYR B 2 198 ? 17.504 16.938 -47.121 1 62.799 ? 192 TYR B CB 1 2 +ATOM 3136 C CG . TYR B 2 198 ? 16.273 17.585 -46.518 1 66.092 ? 192 TYR B CG 1 2 +ATOM 3137 C CD1 . TYR B 2 198 ? 15.307 18.12 -47.351 1 69.814 ? 192 TYR B CD1 1 2 +ATOM 3138 C CD2 . TYR B 2 198 ? 16.095 17.699 -45.136 1 67.504 ? 192 TYR B CD2 1 2 +ATOM 3139 C CE1 . TYR B 2 198 ? 14.182 18.739 -46.833 1 74.502 ? 192 TYR B CE1 1 2 +ATOM 3140 C CE2 . TYR B 2 198 ? 14.961 18.297 -44.603 1 71.265 ? 192 TYR B CE2 1 2 +ATOM 3141 C CZ . TYR B 2 198 ? 14.005 18.821 -45.46 1 76.251 ? 192 TYR B CZ 1 2 +ATOM 3142 O OH . TYR B 2 198 ? 12.882 19.43 -44.989 1 78.929 ? 192 TYR B OH 1 2 +ATOM 3143 N N . ALA B 2 199 ? 20.874 17.346 -46.975 1 74.314 ? 193 ALA B N 1 2 +ATOM 3144 C CA . ALA B 2 199 ? 22.194 16.892 -47.398 1 82.605 ? 193 ALA B CA 1 2 +ATOM 3145 C C . ALA B 2 199 ? 23.076 16.435 -46.239 1 85.382 ? 193 ALA B C 1 2 +ATOM 3146 O O . ALA B 2 199 ? 22.972 16.978 -45.128 1 89.701 ? 193 ALA B O 1 2 +ATOM 3147 C CB . ALA B 2 199 ? 22.889 17.993 -48.168 1 82.791 ? 193 ALA B CB 1 2 +ATOM 3148 N N . CYS B 2 200 ? 23.991 15.487 -46.541 1 74.427 ? 194 CYS B N 1 2 +ATOM 3149 C CA . CYS B 2 200 ? 25.038 15.135 -45.593 1 78.783 ? 194 CYS B CA 1 2 +ATOM 3150 C C . CYS B 2 200 ? 26.431 15.333 -46.193 1 74.915 ? 194 CYS B C 1 2 +ATOM 3151 O O . CYS B 2 200 ? 26.727 14.856 -47.269 1 69.58 ? 194 CYS B O 1 2 +ATOM 3152 C CB . CYS B 2 200 ? 24.797 13.772 -44.946 1 78.423 ? 194 CYS B CB 1 2 +ATOM 3153 S SG . CYS B 2 200 ? 24.55 12.452 -46.141 0.87 89.468 ? 194 CYS B SG 1 2 +ATOM 3154 N N . GLU B 2 201 ? 27.278 16.042 -45.438 1 79.231 ? 195 GLU B N 1 2 +ATOM 3155 C CA . GLU B 2 201 ? 28.657 16.341 -45.791 1 84.899 ? 195 GLU B CA 1 2 +ATOM 3156 C C . GLU B 2 201 ? 29.564 15.401 -44.993 1 88.187 ? 195 GLU B C 1 2 +ATOM 3157 O O . GLU B 2 201 ? 29.783 15.589 -43.785 1 79.619 ? 195 GLU B O 1 2 +ATOM 3158 C CB . GLU B 2 201 ? 28.961 17.814 -45.49 1 89.423 ? 195 GLU B CB 1 2 +ATOM 3159 C CG . GLU B 2 201 ? 30.268 18.336 -46.079 1 93.968 ? 195 GLU B CG 1 2 +ATOM 3160 C CD . GLU B 2 201 ? 30.575 19.817 -45.81 1 110.509 ? 195 GLU B CD 1 2 +ATOM 3161 O OE1 . GLU B 2 201 ? 31.12 20.136 -44.722 1 111.544 ? 195 GLU B OE1 1 2 +ATOM 3162 O OE2 . GLU B 2 201 ? 30.277 20.682 -46.677 1 117.819 ? 195 GLU B OE2 1 2 +ATOM 3163 N N . VAL B 2 202 ? 30.099 14.4 -45.707 1 86.739 ? 196 VAL B N 1 2 +ATOM 3164 C CA . VAL B 2 202 ? 30.913 13.35 -45.115 1 79.153 ? 196 VAL B CA 1 2 +ATOM 3165 C C . VAL B 2 202 ? 32.382 13.722 -45.222 1 79.69 ? 196 VAL B C 1 2 +ATOM 3166 O O . VAL B 2 202 ? 32.896 13.937 -46.318 1 89.139 ? 196 VAL B O 1 2 +ATOM 3167 C CB . VAL B 2 202 ? 30.662 11.977 -45.756 1 77.592 ? 196 VAL B CB 1 2 +ATOM 3168 C CG1 . VAL B 2 202 ? 31.701 10.951 -45.33 1 87.177 ? 196 VAL B CG1 1 2 +ATOM 3169 C CG2 . VAL B 2 202 ? 29.277 11.451 -45.413 1 78.057 ? 196 VAL B CG2 1 2 +ATOM 3170 N N . THR B 2 203 ? 33.032 13.763 -44.059 1 84.8 ? 197 THR B N 1 2 +ATOM 3171 C CA . THR B 2 203 ? 34.443 14.085 -43.941 1 87.365 ? 197 THR B CA 1 2 +ATOM 3172 C C . THR B 2 203 ? 35.19 12.842 -43.477 1 79.321 ? 197 THR B C 1 2 +ATOM 3173 O O . THR B 2 203 ? 35.001 12.389 -42.352 1 86.329 ? 197 THR B O 1 2 +ATOM 3174 C CB . THR B 2 203 ? 34.596 15.199 -42.915 1 92.559 ? 197 THR B CB 1 2 +ATOM 3175 O OG1 . THR B 2 203 ? 33.701 16.228 -43.326 1 107.934 ? 197 THR B OG1 1 2 +ATOM 3176 C CG2 . THR B 2 203 ? 36.027 15.693 -42.823 1 91.68 ? 197 THR B CG2 1 2 +ATOM 3177 N N . HIS B 2 204 ? 36.036 12.294 -44.342 1 74.551 ? 198 HIS B N 1 2 +ATOM 3178 C CA . HIS B 2 204 ? 36.806 11.126 -43.973 1 81.206 ? 198 HIS B CA 1 2 +ATOM 3179 C C . HIS B 2 204 ? 38.257 11.28 -44.415 1 82.016 ? 198 HIS B C 1 2 +ATOM 3180 O O . HIS B 2 204 ? 38.564 11.994 -45.349 1 90.416 ? 198 HIS B O 1 2 +ATOM 3181 C CB . HIS B 2 204 ? 36.169 9.855 -44.538 1 86.706 ? 198 HIS B CB 1 2 +ATOM 3182 C CG . HIS B 2 204 ? 36.78 8.61 -43.969 1 93.685 ? 198 HIS B CG 1 2 +ATOM 3183 N ND1 . HIS B 2 204 ? 37.628 7.798 -44.692 1 92.629 ? 198 HIS B ND1 1 2 +ATOM 3184 C CD2 . HIS B 2 204 ? 36.682 8.051 -42.747 1 92.871 ? 198 HIS B CD2 1 2 +ATOM 3185 C CE1 . HIS B 2 204 ? 38.027 6.795 -43.917 1 95.813 ? 198 HIS B CE1 1 2 +ATOM 3186 N NE2 . HIS B 2 204 ? 37.445 6.91 -42.741 1 96.029 ? 198 HIS B NE2 1 2 +ATOM 3187 N N . GLN B 2 205 ? 39.133 10.579 -43.705 1 85.422 ? 199 GLN B N 1 2 +ATOM 3188 C CA . GLN B 2 205 ? 40.561 10.526 -43.949 1 84.898 ? 199 GLN B CA 1 2 +ATOM 3189 C C . GLN B 2 205 ? 40.918 10.008 -45.339 1 78.507 ? 199 GLN B C 1 2 +ATOM 3190 O O . GLN B 2 205 ? 41.963 10.361 -45.888 1 75.481 ? 199 GLN B O 1 2 +ATOM 3191 C CB . GLN B 2 205 ? 41.068 9.546 -42.892 1 87.888 ? 199 GLN B CB 1 2 +ATOM 3192 C CG . GLN B 2 205 ? 42.583 9.421 -42.864 1 90.812 ? 199 GLN B CG 1 2 +ATOM 3193 C CD . GLN B 2 205 ? 43.078 8.871 -41.547 1 87.754 ? 199 GLN B CD 1 2 +ATOM 3194 O OE1 . GLN B 2 205 ? 42.304 8.716 -40.597 1 87.418 ? 199 GLN B OE1 1 2 +ATOM 3195 N NE2 . GLN B 2 205 ? 44.362 8.557 -41.489 1 94.317 ? 199 GLN B NE2 1 2 +ATOM 3196 N N . GLY B 2 206 ? 40.062 9.149 -45.899 1 77.214 ? 200 GLY B N 1 2 +ATOM 3197 C CA . GLY B 2 206 ? 40.327 8.556 -47.201 1 79.916 ? 200 GLY B CA 1 2 +ATOM 3198 C C . GLY B 2 206 ? 39.871 9.446 -48.357 1 77.412 ? 200 GLY B C 1 2 +ATOM 3199 O O . GLY B 2 206 ? 40.095 9.142 -49.526 1 66.924 ? 200 GLY B O 1 2 +ATOM 3200 N N . LEU B 2 207 ? 39.145 10.508 -48.015 1 83.452 ? 201 LEU B N 1 2 +ATOM 3201 C CA . LEU B 2 207 ? 38.684 11.484 -48.983 1 81.304 ? 201 LEU B CA 1 2 +ATOM 3202 C C . LEU B 2 207 ? 39.632 12.671 -48.975 1 85.126 ? 201 LEU B C 1 2 +ATOM 3203 O O . LEU B 2 207 ? 40.053 13.138 -47.926 1 81.113 ? 201 LEU B O 1 2 +ATOM 3204 C CB . LEU B 2 207 ? 37.283 11.924 -48.568 1 81.67 ? 201 LEU B CB 1 2 +ATOM 3205 C CG . LEU B 2 207 ? 36.25 10.801 -48.517 1 78.045 ? 201 LEU B CG 1 2 +ATOM 3206 C CD1 . LEU B 2 207 ? 34.96 11.228 -47.809 1 92.866 ? 201 LEU B CD1 1 2 +ATOM 3207 C CD2 . LEU B 2 207 ? 36.047 10.442 -49.983 1 70.993 ? 201 LEU B CD2 1 2 +ATOM 3208 N N . SER B 2 208 ? 39.898 13.22 -50.156 1 98.888 ? 202 SER B N 1 2 +ATOM 3209 C CA . SER B 2 208 ? 40.627 14.476 -50.246 1 101.792 ? 202 SER B CA 1 2 +ATOM 3210 C C . SER B 2 208 ? 39.77 15.628 -49.715 1 102.345 ? 202 SER B C 1 2 +ATOM 3211 O O . SER B 2 208 ? 40.253 16.43 -48.912 1 115.4 ? 202 SER B O 1 2 +ATOM 3212 C CB . SER B 2 208 ? 41.107 14.718 -51.645 1 103.482 ? 202 SER B CB 1 2 +ATOM 3213 O OG . SER B 2 208 ? 40.025 14.613 -52.554 1 124.478 ? 202 SER B OG 1 2 +ATOM 3214 N N . SER B 2 209 ? 38.507 15.705 -50.149 1 97.077 ? 203 SER B N 1 2 +ATOM 3215 C CA . SER B 2 209 ? 37.637 16.796 -49.737 1 94.541 ? 203 SER B CA 1 2 +ATOM 3216 C C . SER B 2 209 ? 36.255 16.25 -49.398 1 93.227 ? 203 SER B C 1 2 +ATOM 3217 O O . SER B 2 209 ? 35.836 15.241 -49.957 1 91.301 ? 203 SER B O 1 2 +ATOM 3218 C CB . SER B 2 209 ? 37.567 17.888 -50.779 1 94.305 ? 203 SER B CB 1 2 +ATOM 3219 O OG . SER B 2 209 ? 36.987 17.398 -51.974 1 88.177 ? 203 SER B OG 1 2 +ATOM 3220 N N . PRO B 2 210 ? 35.55 16.885 -48.435 1 92.202 ? 204 PRO B N 1 2 +ATOM 3221 C CA . PRO B 2 210 ? 34.246 16.423 -47.976 1 91.884 ? 204 PRO B CA 1 2 +ATOM 3222 C C . PRO B 2 210 ? 33.239 16.228 -49.103 1 98.151 ? 204 PRO B C 1 2 +ATOM 3223 O O . PRO B 2 210 ? 32.829 17.191 -49.759 1 105.688 ? 204 PRO B O 1 2 +ATOM 3224 C CB . PRO B 2 210 ? 33.778 17.524 -47.008 1 92.372 ? 204 PRO B CB 1 2 +ATOM 3225 C CG . PRO B 2 210 ? 35.027 18.262 -46.59 1 95.071 ? 204 PRO B CG 1 2 +ATOM 3226 C CD . PRO B 2 210 ? 36.007 18.078 -47.713 1 97.199 ? 204 PRO B CD 1 2 +ATOM 3227 N N . VAL B 2 211 ? 32.806 14.974 -49.267 1 94.085 ? 205 VAL B N 1 2 +ATOM 3228 C CA . VAL B 2 211 ? 31.77 14.627 -50.227 1 100.487 ? 205 VAL B CA 1 2 +ATOM 3229 C C . VAL B 2 211 ? 30.406 14.984 -49.64 1 101.789 ? 205 VAL B C 1 2 +ATOM 3230 O O . VAL B 2 211 ? 30.167 14.755 -48.455 1 93.764 ? 205 VAL B O 1 2 +ATOM 3231 C CB . VAL B 2 211 ? 31.804 13.132 -50.595 1 100.523 ? 205 VAL B CB 1 2 +ATOM 3232 C CG1 . VAL B 2 211 ? 30.696 12.781 -51.594 1 100.757 ? 205 VAL B CG1 1 2 +ATOM 3233 C CG2 . VAL B 2 211 ? 33.181 12.684 -51.086 1 99.866 ? 205 VAL B CG2 1 2 +ATOM 3234 N N . THR B 2 212 ? 29.509 15.522 -50.481 1 97.259 ? 206 THR B N 1 2 +ATOM 3235 C CA . THR B 2 212 ? 28.149 15.799 -50.048 1 92.656 ? 206 THR B CA 1 2 +ATOM 3236 C C . THR B 2 212 ? 27.146 15.011 -50.89 1 86.566 ? 206 THR B C 1 2 +ATOM 3237 O O . THR B 2 212 ? 27.22 15.042 -52.108 1 87.159 ? 206 THR B O 1 2 +ATOM 3238 C CB . THR B 2 212 ? 27.901 17.296 -50.166 1 95.03 ? 206 THR B CB 1 2 +ATOM 3239 O OG1 . THR B 2 212 ? 28.896 17.94 -49.378 1 111.481 ? 206 THR B OG1 1 2 +ATOM 3240 C CG2 . THR B 2 212 ? 26.522 17.661 -49.659 1 90.155 ? 206 THR B CG2 1 2 +ATOM 3241 N N . LYS B 2 213 ? 26.19 14.331 -50.253 1 81.152 ? 207 LYS B N 1 2 +ATOM 3242 C CA . LYS B 2 213 ? 25.047 13.822 -50.988 1 79.205 ? 207 LYS B CA 1 2 +ATOM 3243 C C . LYS B 2 213 ? 23.825 14.639 -50.601 1 83.322 ? 207 LYS B C 1 2 +ATOM 3244 O O . LYS B 2 213 ? 23.545 14.812 -49.417 1 93.023 ? 207 LYS B O 1 2 +ATOM 3245 C CB . LYS B 2 213 ? 24.764 12.339 -50.747 1 79.146 ? 207 LYS B CB 1 2 +ATOM 3246 C CG . LYS B 2 213 ? 25.831 11.394 -51.212 1 95.473 ? 207 LYS B CG 1 2 +ATOM 3247 C CD . LYS B 2 213 ? 26.155 11.436 -52.705 1 107.411 ? 207 LYS B CD 1 2 +ATOM 3248 C CE . LYS B 2 213 ? 27.501 10.801 -53.006 1 115.745 ? 207 LYS B CE 1 2 +ATOM 3249 N NZ . LYS B 2 213 ? 27.995 11.139 -54.341 1 125.524 ? 207 LYS B NZ 1 2 +ATOM 3250 N N . SER B 2 214 ? 23.085 15.108 -51.609 1 82.317 ? 208 SER B N 1 2 +ATOM 3251 C CA . SER B 2 214 ? 21.88 15.867 -51.34 1 80.198 ? 208 SER B CA 1 2 +ATOM 3252 C C . SER B 2 214 ? 20.708 15.406 -52.191 1 79.02 ? 208 SER B C 1 2 +ATOM 3253 O O . SER B 2 214 ? 20.862 14.662 -53.16 1 82.101 ? 208 SER B O 1 2 +ATOM 3254 C CB . SER B 2 214 ? 22.122 17.321 -51.549 1 83.442 ? 208 SER B CB 1 2 +ATOM 3255 O OG . SER B 2 214 ? 22.404 17.572 -52.914 1 92.295 ? 208 SER B OG 1 2 +ATOM 3256 N N . PHE B 2 215 ? 19.531 15.897 -51.789 1 78.671 ? 209 PHE B N 1 2 +ATOM 3257 C CA . PHE B 2 215 ? 18.337 15.857 -52.61 1 78.845 ? 209 PHE B CA 1 2 +ATOM 3258 C C . PHE B 2 215 ? 17.443 17.047 -52.276 1 84.759 ? 209 PHE B C 1 2 +ATOM 3259 O O . PHE B 2 215 ? 17.489 17.587 -51.174 1 92.202 ? 209 PHE B O 1 2 +ATOM 3260 C CB . PHE B 2 215 ? 17.614 14.543 -52.344 1 74.297 ? 209 PHE B CB 1 2 +ATOM 3261 C CG . PHE B 2 215 ? 16.94 14.429 -50.983 1 79.399 ? 209 PHE B CG 1 2 +ATOM 3262 C CD1 . PHE B 2 215 ? 17.61 13.876 -49.904 1 81.724 ? 209 PHE B CD1 1 2 +ATOM 3263 C CD2 . PHE B 2 215 ? 15.614 14.814 -50.802 1 87.114 ? 209 PHE B CD2 1 2 +ATOM 3264 C CE1 . PHE B 2 215 ? 16.991 13.761 -48.676 1 84.442 ? 209 PHE B CE1 1 2 +ATOM 3265 C CE2 . PHE B 2 215 ? 14.997 14.696 -49.569 1 88.053 ? 209 PHE B CE2 1 2 +ATOM 3266 C CZ . PHE B 2 215 ? 15.688 14.169 -48.506 1 86.069 ? 209 PHE B CZ 1 2 +ATOM 3267 N N . ASN B 2 216 ? 16.615 17.445 -53.243 1 84.063 ? 210 ASN B N 1 2 +ATOM 3268 C CA . ASN B 2 216 ? 15.58 18.438 -52.995 1 81.797 ? 210 ASN B CA 1 2 +ATOM 3269 C C . ASN B 2 216 ? 14.254 17.711 -52.819 1 73.282 ? 210 ASN B C 1 2 +ATOM 3270 O O . ASN B 2 216 ? 13.958 16.833 -53.619 1 77.701 ? 210 ASN B O 1 2 +ATOM 3271 C CB . ASN B 2 216 ? 15.505 19.462 -54.123 1 89.854 ? 210 ASN B CB 1 2 +ATOM 3272 C CG . ASN B 2 216 ? 16.846 20.107 -54.415 1 93.535 ? 210 ASN B CG 1 2 +ATOM 3273 O OD1 . ASN B 2 216 ? 17.776 20.166 -53.592 1 85.362 ? 210 ASN B OD1 1 2 +ATOM 3274 N ND2 . ASN B 2 216 ? 16.972 20.592 -55.631 1 101.349 ? 210 ASN B ND2 1 2 +ATOM 3275 N N . ARG B 2 217 ? 13.494 18.046 -51.774 1 71.727 ? 211 ARG B N 1 2 +ATOM 3276 C CA . ARG B 2 217 ? 12.182 17.453 -51.545 1 75.84 ? 211 ARG B CA 1 2 +ATOM 3277 C C . ARG B 2 217 ? 11.24 17.71 -52.735 1 74.86 ? 211 ARG B C 1 2 +ATOM 3278 O O . ARG B 2 217 ? 10.862 18.833 -53.001 1 73.363 ? 211 ARG B O 1 2 +ATOM 3279 C CB . ARG B 2 217 ? 11.602 18.012 -50.236 1 82.074 ? 211 ARG B CB 1 2 +ATOM 3280 C CG . ARG B 2 217 ? 10.136 17.703 -49.961 1 83.719 ? 211 ARG B CG 1 2 +ATOM 3281 C CD . ARG B 2 217 ? 9.626 18.572 -48.803 1 90.457 ? 211 ARG B CD 1 2 +ATOM 3282 N NE . ARG B 2 217 ? 9.823 20.015 -48.997 1 92.978 ? 211 ARG B NE 1 2 +ATOM 3283 C CZ . ARG B 2 217 ? 9.085 20.792 -49.772 1 96.946 ? 211 ARG B CZ 1 2 +ATOM 3284 N NH1 . ARG B 2 217 ? 8.053 20.272 -50.388 1 103.016 ? 211 ARG B NH1 1 2 +ATOM 3285 N NH2 . ARG B 2 217 ? 9.334 22.089 -49.897 1 107.595 ? 211 ARG B NH2 1 2 +ATOM 3286 N N . GLY B 2 218 ? 10.877 16.649 -53.468 1 77.144 ? 212 GLY B N 1 2 +ATOM 3287 C CA . GLY B 2 218 ? 10.15 16.688 -54.735 1 74.44 ? 212 GLY B CA 1 2 +ATOM 3288 C C . GLY B 2 218 ? 11.034 16.974 -55.959 1 83.96 ? 212 GLY B C 1 2 +ATOM 3289 O O . GLY B 2 218 ? 10.79 17.983 -56.572 1 83.049 ? 212 GLY B O 1 2 +ATOM 3290 N N . GLU B 2 219 ? 12.014 16.13 -56.362 1 101.945 ? 213 GLU B N 1 2 +ATOM 3291 C CA . GLU B 2 219 ? 12.849 16.413 -57.545 1 120.165 ? 213 GLU B CA 1 2 +ATOM 3292 C C . GLU B 2 219 ? 12.661 15.336 -58.651 1 109.77 ? 213 GLU B C 1 2 +ATOM 3293 O O . GLU B 2 219 ? 12.617 14.108 -58.338 1 93.41 ? 213 GLU B O 1 2 +ATOM 3294 C CB . GLU B 2 219 ? 14.354 16.603 -57.263 1 151.281 ? 213 GLU B CB 1 2 +ATOM 3295 C CG . GLU B 2 219 ? 15.177 17.088 -58.476 1 156.534 ? 213 GLU B CG 1 2 +ATOM 3296 C CD . GLU B 2 219 ? 16.581 16.516 -58.766 1 147.878 ? 213 GLU B CD 1 2 +ATOM 3297 O OE1 . GLU B 2 219 ? 17.494 17.301 -59.117 1 113.831 ? 213 GLU B OE1 1 2 +ATOM 3298 O OE2 . GLU B 2 219 ? 16.785 15.281 -58.677 1 137.352 ? 213 GLU B OE2 1 2 +ATOM 3299 N N . ASN C 3 1 ? 38.389 -34.092 -9.177 1 137.25 ? 1 ASN C N 1 3 +ATOM 3300 C CA . ASN C 3 1 ? 38.968 -34.79 -7.994 1 128.013 ? 1 ASN C CA 1 3 +ATOM 3301 C C . ASN C 3 1 ? 38.127 -34.429 -6.762 1 108.288 ? 1 ASN C C 1 3 +ATOM 3302 O O . ASN C 3 1 ? 37.105 -33.749 -6.87 1 106.22 ? 1 ASN C O 1 3 +ATOM 3303 C CB . ASN C 3 1 ? 40.48 -34.544 -7.921 1 135.79 ? 1 ASN C CB 1 3 +ATOM 3304 C CG . ASN C 3 1 ? 41.288 -35.381 -8.9 1 137.884 ? 1 ASN C CG 1 3 +ATOM 3305 O OD1 . ASN C 3 1 ? 40.74 -36.082 -9.763 1 126.478 ? 1 ASN C OD1 1 3 +ATOM 3306 N ND2 . ASN C 3 1 ? 42.607 -35.325 -8.788 1 133.758 ? 1 ASN C ND2 1 3 +ATOM 3307 N N . LYS C 3 2 ? 38.552 -34.922 -5.591 1 101.752 ? 2 LYS C N 1 3 +ATOM 3308 C CA . LYS C 3 2 ? 37.799 -34.845 -4.344 1 97.623 ? 2 LYS C CA 1 3 +ATOM 3309 C C . LYS C 3 2 ? 38.771 -34.579 -3.184 1 95.09 ? 2 LYS C C 1 3 +ATOM 3310 O O . LYS C 3 2 ? 39.959 -34.86 -3.264 1 91.515 ? 2 LYS C O 1 3 +ATOM 3311 C CB . LYS C 3 2 ? 37.071 -36.184 -4.111 1 97.477 ? 2 LYS C CB 1 3 +ATOM 3312 C CG . LYS C 3 2 ? 35.907 -36.515 -5.029 1 99.136 ? 2 LYS C CG 1 3 +ATOM 3313 C CD . LYS C 3 2 ? 34.653 -35.675 -4.782 1 103.697 ? 2 LYS C CD 1 3 +ATOM 3314 C CE . LYS C 3 2 ? 33.396 -36.184 -5.481 1 104.441 ? 2 LYS C CE 1 3 +ATOM 3315 N NZ . LYS C 3 2 ? 32.173 -35.844 -4.747 1 98.099 ? 2 LYS C NZ 1 3 +ATOM 3316 N N . ILE C 3 3 ? 38.28 -34.042 -2.067 1 90.156 ? 3 ILE C N 1 3 +ATOM 3317 C CA . ILE C 3 3 ? 39.133 -33.842 -0.907 1 84.648 ? 3 ILE C CA 1 3 +ATOM 3318 C C . ILE C 3 3 ? 39.127 -35.126 -0.077 1 80.162 ? 3 ILE C C 1 3 +ATOM 3319 O O . ILE C 3 3 ? 38.11 -35.787 -0.015 1 81.34 ? 3 ILE C O 1 3 +ATOM 3320 C CB . ILE C 3 3 ? 38.599 -32.639 -0.118 1 89.095 ? 3 ILE C CB 1 3 +ATOM 3321 C CG1 . ILE C 3 3 ? 38.472 -31.382 -0.997 1 100.771 ? 3 ILE C CG1 1 3 +ATOM 3322 C CG2 . ILE C 3 3 ? 39.45 -32.37 1.115 1 90.985 ? 3 ILE C CG2 1 3 +ATOM 3323 C CD1 . ILE C 3 3 ? 37.385 -30.431 -0.528 1 109.926 ? 3 ILE C CD1 1 3 +ATOM 3324 N N . LEU C 3 4 ? 40.215 -35.466 0.613 1 81.756 ? 4 LEU C N 1 3 +ATOM 3325 C CA . LEU C 3 4 ? 40.208 -36.62 1.506 1 83.659 ? 4 LEU C CA 1 3 +ATOM 3326 C C . LEU C 3 4 ? 39.851 -36.214 2.934 1 84.652 ? 4 LEU C C 1 3 +ATOM 3327 O O . LEU C 3 4 ? 40.165 -35.102 3.37 1 112.093 ? 4 LEU C O 1 3 +ATOM 3328 C CB . LEU C 3 4 ? 41.583 -37.286 1.525 1 97.931 ? 4 LEU C CB 1 3 +ATOM 3329 C CG . LEU C 3 4 ? 41.99 -38.07 0.274 1 103.471 ? 4 LEU C CG 1 3 +ATOM 3330 C CD1 . LEU C 3 4 ? 43.187 -38.965 0.696 1 103.514 ? 4 LEU C CD1 1 3 +ATOM 3331 C CD2 . LEU C 3 4 ? 40.878 -38.916 -0.392 1 98.562 ? 4 LEU C CD2 1 3 +ATOM 3332 N N . VAL C 3 5 ? 39.28 -37.16 3.698 1 80.551 ? 5 VAL C N 1 3 +ATOM 3333 C CA . VAL C 3 5 ? 38.834 -36.853 5.051 1 83.4 ? 5 VAL C CA 1 3 +ATOM 3334 C C . VAL C 3 5 ? 39.362 -37.932 5.971 1 82.725 ? 5 VAL C C 1 3 +ATOM 3335 O O . VAL C 3 5 ? 39.035 -39.092 5.754 1 95.361 ? 5 VAL C O 1 3 +ATOM 3336 C CB . VAL C 3 5 ? 37.307 -36.746 5.215 1 85.151 ? 5 VAL C CB 1 3 +ATOM 3337 C CG1 . VAL C 3 5 ? 36.886 -35.68 6.207 1 81.375 ? 5 VAL C CG1 1 3 +ATOM 3338 C CG2 . VAL C 3 5 ? 36.623 -36.443 3.902 1 101.336 ? 5 VAL C CG2 1 3 +ATOM 3339 N N . LYS C 3 6 ? 40.134 -37.514 6.986 1 92.019 ? 6 LYS C N 1 3 +ATOM 3340 C CA . LYS C 3 6 ? 40.563 -38.381 8.076 1 103.778 ? 6 LYS C CA 1 3 +ATOM 3341 C C . LYS C 3 6 ? 39.876 -37.884 9.348 1 96.007 ? 6 LYS C C 1 3 +ATOM 3342 O O . LYS C 3 6 ? 40.052 -36.73 9.731 1 99.619 ? 6 LYS C O 1 3 +ATOM 3343 C CB . LYS C 3 6 ? 42.095 -38.457 8.269 1 112.152 ? 6 LYS C CB 1 3 +ATOM 3344 C CG . LYS C 3 6 ? 42.99 -38.621 7.032 1 124.389 ? 6 LYS C CG 1 3 +ATOM 3345 C CD . LYS C 3 6 ? 43.427 -37.278 6.42 1 134.573 ? 6 LYS C CD 1 3 +ATOM 3346 C CE . LYS C 3 6 ? 44.215 -37.293 5.126 1 123.694 ? 6 LYS C CE 1 3 +ATOM 3347 N NZ . LYS C 3 6 ? 44.04 -36.032 4.387 1 112.91 ? 6 LYS C NZ 1 3 +ATOM 3348 N N . GLN C 3 7 ? 39.1 -38.754 10.005 1 89.105 ? 7 GLN C N 1 3 +ATOM 3349 C CA . GLN C 3 7 ? 38.564 -38.444 11.318 1 84.603 ? 7 GLN C CA 1 3 +ATOM 3350 C C . GLN C 3 7 ? 38.718 -39.662 12.211 1 88.333 ? 7 GLN C C 1 3 +ATOM 3351 O O . GLN C 3 7 ? 38.574 -40.783 11.739 1 98.03 ? 7 GLN C O 1 3 +ATOM 3352 C CB . GLN C 3 7 ? 37.106 -37.998 11.285 1 85.232 ? 7 GLN C CB 1 3 +ATOM 3353 C CG . GLN C 3 7 ? 36.363 -38.492 10.06 1 88.809 ? 7 GLN C CG 1 3 +ATOM 3354 C CD . GLN C 3 7 ? 34.881 -38.214 10.09 1 85.029 ? 7 GLN C CD 1 3 +ATOM 3355 O OE1 . GLN C 3 7 ? 34.285 -37.888 9.063 1 79.075 ? 7 GLN C OE1 1 3 +ATOM 3356 N NE2 . GLN C 3 7 ? 34.268 -38.359 11.25 1 81.587 ? 7 GLN C NE2 1 3 +ATOM 3357 N N . SER C 3 8 ? 39.007 -39.4 13.495 1 93.318 ? 8 SER C N 1 3 +ATOM 3358 C CA . SER C 3 8 ? 39.181 -40.435 14.5 1 84.327 ? 8 SER C CA 1 3 +ATOM 3359 C C . SER C 3 8 ? 38.039 -41.427 14.403 1 78.169 ? 8 SER C C 1 3 +ATOM 3360 O O . SER C 3 8 ? 36.893 -41.025 14.207 1 73.547 ? 8 SER C O 1 3 +ATOM 3361 C CB . SER C 3 8 ? 39.261 -39.89 15.904 1 88.021 ? 8 SER C CB 1 3 +ATOM 3362 O OG . SER C 3 8 ? 40.62 -39.839 16.332 1 101.791 ? 8 SER C OG 1 3 +ATOM 3363 N N . PRO C 3 9 ? 38.331 -42.74 14.533 1 75.241 ? 9 PRO C N 1 3 +ATOM 3364 C CA . PRO C 3 9 ? 37.29 -43.751 14.435 1 68.93 ? 9 PRO C CA 1 3 +ATOM 3365 C C . PRO C 3 9 ? 36.431 -43.773 15.696 1 73.6 ? 9 PRO C C 1 3 +ATOM 3366 O O . PRO C 3 9 ? 35.265 -44.124 15.598 1 85.433 ? 9 PRO C O 1 3 +ATOM 3367 C CB . PRO C 3 9 ? 38.11 -45.003 14.207 1 68.695 ? 9 PRO C CB 1 3 +ATOM 3368 C CG . PRO C 3 9 ? 39.391 -44.76 14.967 1 71.158 ? 9 PRO C CG 1 3 +ATOM 3369 C CD . PRO C 3 9 ? 39.67 -43.31 14.783 1 73.759 ? 9 PRO C CD 1 3 +ATOM 3370 N N . MET C 3 10 ? 36.971 -43.353 16.853 1 74.655 ? 10 MET C N 1 3 +ATOM 3371 C CA . MET C 3 10 ? 36.209 -43.379 18.095 1 75.098 ? 10 MET C CA 1 3 +ATOM 3372 C C . MET C 3 10 ? 36.57 -42.184 18.96 1 78.459 ? 10 MET C C 1 3 +ATOM 3373 O O . MET C 3 10 ? 37.736 -41.83 19.024 1 101.134 ? 10 MET C O 1 3 +ATOM 3374 C CB . MET C 3 10 ? 36.526 -44.65 18.895 1 78.496 ? 10 MET C CB 1 3 +ATOM 3375 C CG . MET C 3 10 ? 35.865 -44.74 20.275 1 77.759 ? 10 MET C CG 1 3 +ATOM 3376 S SD . MET C 3 10 ? 34.058 -44.805 20.276 0.63 73.823 ? 10 MET C SD 1 3 +ATOM 3377 C CE . MET C 3 10 ? 33.936 -46.468 19.602 1 79.241 ? 10 MET C CE 1 3 +ATOM 3378 N N . LEU C 3 11 ? 35.568 -41.61 19.639 1 81.069 ? 11 LEU C N 1 3 +ATOM 3379 C CA . LEU C 3 11 ? 35.755 -40.559 20.63 1 83.445 ? 11 LEU C CA 1 3 +ATOM 3380 C C . LEU C 3 11 ? 34.766 -40.769 21.772 1 84.537 ? 11 LEU C C 1 3 +ATOM 3381 O O . LEU C 3 11 ? 33.555 -40.862 21.54 1 82.578 ? 11 LEU C O 1 3 +ATOM 3382 C CB . LEU C 3 11 ? 35.474 -39.2 19.993 1 78.449 ? 11 LEU C CB 1 3 +ATOM 3383 C CG . LEU C 3 11 ? 36.436 -38.733 18.906 1 75.474 ? 11 LEU C CG 1 3 +ATOM 3384 C CD1 . LEU C 3 11 ? 35.814 -37.527 18.26 1 84.499 ? 11 LEU C CD1 1 3 +ATOM 3385 C CD2 . LEU C 3 11 ? 37.782 -38.421 19.487 1 72.1 ? 11 LEU C CD2 1 3 +ATOM 3386 N N . VAL C 3 12 ? 35.268 -40.767 23.009 1 80.544 ? 12 VAL C N 1 3 +ATOM 3387 C CA . VAL C 3 12 ? 34.374 -40.772 24.152 1 77.825 ? 12 VAL C CA 1 3 +ATOM 3388 C C . VAL C 3 12 ? 34.196 -39.346 24.638 1 77.265 ? 12 VAL C C 1 3 +ATOM 3389 O O . VAL C 3 12 ? 35.172 -38.714 25.022 1 73.951 ? 12 VAL C O 1 3 +ATOM 3390 C CB . VAL C 3 12 ? 34.917 -41.685 25.258 1 79.977 ? 12 VAL C CB 1 3 +ATOM 3391 C CG1 . VAL C 3 12 ? 34.107 -41.643 26.545 1 78.241 ? 12 VAL C CG1 1 3 +ATOM 3392 C CG2 . VAL C 3 12 ? 34.959 -43.111 24.726 1 90.073 ? 12 VAL C CG2 1 3 +ATOM 3393 N N . ALA C 3 13 ? 32.937 -38.885 24.621 1 83.051 ? 13 ALA C N 1 3 +ATOM 3394 C CA . ALA C 3 13 ? 32.554 -37.625 25.241 1 91.018 ? 13 ALA C CA 1 3 +ATOM 3395 C C . ALA C 3 13 ? 32.625 -37.737 26.767 1 93.758 ? 13 ALA C C 1 3 +ATOM 3396 O O . ALA C 3 13 ? 31.97 -38.564 27.378 1 107.171 ? 13 ALA C O 1 3 +ATOM 3397 C CB . ALA C 3 13 ? 31.16 -37.234 24.799 1 88.752 ? 13 ALA C CB 1 3 +ATOM 3398 N N . TYR C 3 14 ? 33.415 -36.882 27.395 1 92.552 ? 14 TYR C N 1 3 +ATOM 3399 C CA . TYR C 3 14 ? 33.453 -36.849 28.835 1 100.456 ? 14 TYR C CA 1 3 +ATOM 3400 C C . TYR C 3 14 ? 32.843 -35.528 29.281 1 108.029 ? 14 TYR C C 1 3 +ATOM 3401 O O . TYR C 3 14 ? 33.181 -34.456 28.747 1 109.129 ? 14 TYR C O 1 3 +ATOM 3402 C CB . TYR C 3 14 ? 34.899 -37.017 29.273 1 111.152 ? 14 TYR C CB 1 3 +ATOM 3403 C CG . TYR C 3 14 ? 35.469 -38.413 29.101 1 115.953 ? 14 TYR C CG 1 3 +ATOM 3404 C CD1 . TYR C 3 14 ? 35.04 -39.446 29.922 1 117.79 ? 14 TYR C CD1 1 3 +ATOM 3405 C CD2 . TYR C 3 14 ? 36.525 -38.663 28.219 1 120.051 ? 14 TYR C CD2 1 3 +ATOM 3406 C CE1 . TYR C 3 14 ? 35.614 -40.706 29.838 1 115.604 ? 14 TYR C CE1 1 3 +ATOM 3407 C CE2 . TYR C 3 14 ? 37.082 -39.924 28.098 1 116.055 ? 14 TYR C CE2 1 3 +ATOM 3408 C CZ . TYR C 3 14 ? 36.623 -40.943 28.915 1 115.386 ? 14 TYR C CZ 1 3 +ATOM 3409 O OH . TYR C 3 14 ? 37.17 -42.182 28.794 1 101.51 ? 14 TYR C OH 1 3 +ATOM 3410 N N . ASP C 3 15 ? 31.938 -35.652 30.257 1 100.853 ? 15 ASP C N 1 3 +ATOM 3411 C CA . ASP C 3 15 ? 31.179 -34.527 30.768 1 104.563 ? 15 ASP C CA 1 3 +ATOM 3412 C C . ASP C 3 15 ? 30.368 -33.909 29.641 1 96.978 ? 15 ASP C C 1 3 +ATOM 3413 O O . ASP C 3 15 ? 30.18 -32.689 29.597 1 95.439 ? 15 ASP C O 1 3 +ATOM 3414 C CB . ASP C 3 15 ? 32.061 -33.517 31.478 1 121.055 ? 15 ASP C CB 1 3 +ATOM 3415 C CG . ASP C 3 15 ? 32.452 -33.897 32.903 1 143.757 ? 15 ASP C CG 1 3 +ATOM 3416 O OD1 . ASP C 3 15 ? 32.523 -35.122 33.223 1 139.702 ? 15 ASP C OD1 1 3 +ATOM 3417 O OD2 . ASP C 3 15 ? 32.67 -32.969 33.715 1 161.775 ? 15 ASP C OD2 1 3 +ATOM 3418 N N . ASN C 3 16 ? 29.864 -34.792 28.764 1 94.681 ? 16 ASN C N 1 3 +ATOM 3419 C CA . ASN C 3 16 ? 28.928 -34.428 27.701 1 95.89 ? 16 ASN C CA 1 3 +ATOM 3420 C C . ASN C 3 16 ? 29.556 -33.512 26.627 1 93.817 ? 16 ASN C C 1 3 +ATOM 3421 O O . ASN C 3 16 ? 28.831 -32.888 25.875 1 75.829 ? 16 ASN C O 1 3 +ATOM 3422 C CB . ASN C 3 16 ? 27.665 -33.782 28.269 1 90.074 ? 16 ASN C CB 1 3 +ATOM 3423 C CG . ASN C 3 16 ? 26.923 -34.704 29.19 1 74.917 ? 16 ASN C CG 1 3 +ATOM 3424 O OD1 . ASN C 3 16 ? 26.918 -34.51 30.395 1 84.598 ? 16 ASN C OD1 1 3 +ATOM 3425 N ND2 . ASN C 3 16 ? 26.313 -35.728 28.66 1 70.441 ? 16 ASN C ND2 1 3 +ATOM 3426 N N . ALA C 3 17 ? 30.887 -33.5 26.484 1 91.318 ? 17 ALA C N 1 3 +ATOM 3427 C CA . ALA C 3 17 ? 31.548 -32.701 25.479 1 76.983 ? 17 ALA C CA 1 3 +ATOM 3428 C C . ALA C 3 17 ? 32.681 -33.481 24.813 1 76.751 ? 17 ALA C C 1 3 +ATOM 3429 O O . ALA C 3 17 ? 33.263 -34.384 25.402 1 78.249 ? 17 ALA C O 1 3 +ATOM 3430 C CB . ALA C 3 17 ? 32.054 -31.473 26.157 1 80.734 ? 17 ALA C CB 1 3 +ATOM 3431 N N . VAL C 3 18 ? 32.998 -33.086 23.576 1 84.116 ? 18 VAL C N 1 3 +ATOM 3432 C CA . VAL C 3 18 ? 33.998 -33.739 22.737 1 85.725 ? 18 VAL C CA 1 3 +ATOM 3433 C C . VAL C 3 18 ? 34.543 -32.747 21.691 1 90.187 ? 18 VAL C C 1 3 +ATOM 3434 O O . VAL C 3 18 ? 33.934 -31.731 21.402 1 82.422 ? 18 VAL C O 1 3 +ATOM 3435 C CB . VAL C 3 18 ? 33.332 -34.959 22.077 1 83.022 ? 18 VAL C CB 1 3 +ATOM 3436 C CG1 . VAL C 3 18 ? 32.4 -34.526 20.953 1 92.042 ? 18 VAL C CG1 1 3 +ATOM 3437 C CG2 . VAL C 3 18 ? 34.327 -35.983 21.548 1 81.289 ? 18 VAL C CG2 1 3 +ATOM 3438 N N . ASN C 3 19 ? 35.704 -33.055 21.099 1 89.978 ? 19 ASN C N 1 3 +ATOM 3439 C CA . ASN C 3 19 ? 36.323 -32.234 20.064 1 81.39 ? 19 ASN C CA 1 3 +ATOM 3440 C C . ASN C 3 19 ? 36.546 -33.117 18.838 1 79.975 ? 19 ASN C C 1 3 +ATOM 3441 O O . ASN C 3 19 ? 37.407 -33.999 18.821 1 84.435 ? 19 ASN C O 1 3 +ATOM 3442 C CB . ASN C 3 19 ? 37.642 -31.621 20.527 1 90.884 ? 19 ASN C CB 1 3 +ATOM 3443 C CG . ASN C 3 19 ? 37.478 -30.476 21.501 1 106.694 ? 19 ASN C CG 1 3 +ATOM 3444 O OD1 . ASN C 3 19 ? 37.299 -29.332 21.058 1 105.482 ? 19 ASN C OD1 1 3 +ATOM 3445 N ND2 . ASN C 3 19 ? 37.576 -30.739 22.805 1 125.187 ? 19 ASN C ND2 1 3 +ATOM 3446 N N . LEU C 3 20 ? 35.733 -32.893 17.809 1 77.357 ? 20 LEU C N 1 3 +ATOM 3447 C CA . LEU C 3 20 ? 35.812 -33.676 16.596 1 73.435 ? 20 LEU C CA 1 3 +ATOM 3448 C C . LEU C 3 20 ? 36.578 -32.886 15.518 1 89.575 ? 20 LEU C C 1 3 +ATOM 3449 O O . LEU C 3 20 ? 36.092 -31.932 14.888 1 119.296 ? 20 LEU C O 1 3 +ATOM 3450 C CB . LEU C 3 20 ? 34.378 -34.074 16.266 1 66.413 ? 20 LEU C CB 1 3 +ATOM 3451 C CG . LEU C 3 20 ? 34.187 -34.945 15.027 1 72.923 ? 20 LEU C CG 1 3 +ATOM 3452 C CD1 . LEU C 3 20 ? 35.296 -35.959 14.912 1 82.842 ? 20 LEU C CD1 1 3 +ATOM 3453 C CD2 . LEU C 3 20 ? 32.831 -35.615 15.054 1 72.473 ? 20 LEU C CD2 1 3 +ATOM 3454 N N . SER C 3 21 ? 37.845 -33.279 15.341 1 95.772 ? 21 SER C N 1 3 +ATOM 3455 C CA . SER C 3 21 ? 38.714 -32.728 14.306 1 90.107 ? 21 SER C CA 1 3 +ATOM 3456 C C . SER C 3 21 ? 38.481 -33.446 12.982 1 84.068 ? 21 SER C C 1 3 +ATOM 3457 O O . SER C 3 21 ? 38.528 -34.666 12.93 1 83.005 ? 21 SER C O 1 3 +ATOM 3458 C CB . SER C 3 21 ? 40.18 -32.833 14.693 1 94.674 ? 21 SER C CB 1 3 +ATOM 3459 O OG . SER C 3 21 ? 40.709 -31.599 15.154 1 100.587 ? 21 SER C OG 1 3 +ATOM 3460 N N . CYS C 3 22 ? 38.256 -32.689 11.905 1 83.293 ? 22 CYS C N 1 3 +ATOM 3461 C CA . CYS C 3 22 ? 38.119 -33.266 10.579 1 83.403 ? 22 CYS C CA 1 3 +ATOM 3462 C C . CYS C 3 22 ? 39.322 -32.881 9.73 1 87.078 ? 22 CYS C C 1 3 +ATOM 3463 O O . CYS C 3 22 ? 39.522 -31.704 9.459 1 103.528 ? 22 CYS C O 1 3 +ATOM 3464 C CB . CYS C 3 22 ? 36.853 -32.771 9.904 1 83.678 ? 22 CYS C CB 1 3 +ATOM 3465 S SG . CYS C 3 22 ? 35.345 -32.935 10.896 1 89.717 ? 22 CYS C SG 1 3 +ATOM 3466 N N . LYS C 3 23 ? 40.151 -33.858 9.353 1 91.795 ? 23 LYS C N 1 3 +ATOM 3467 C CA . LYS C 3 23 ? 41.415 -33.562 8.684 1 93.607 ? 23 LYS C CA 1 3 +ATOM 3468 C C . LYS C 3 23 ? 41.191 -33.72 7.18 1 97.076 ? 23 LYS C C 1 3 +ATOM 3469 O O . LYS C 3 23 ? 40.792 -34.784 6.698 1 105.614 ? 23 LYS C O 1 3 +ATOM 3470 C CB . LYS C 3 23 ? 42.613 -34.352 9.231 1 91.541 ? 23 LYS C CB 1 3 +ATOM 3471 C CG . LYS C 3 23 ? 42.789 -34.061 10.711 1 96.89 ? 23 LYS C CG 1 3 +ATOM 3472 C CD . LYS C 3 23 ? 43.986 -34.665 11.434 1 110.626 ? 23 LYS C CD 1 3 +ATOM 3473 C CE . LYS C 3 23 ? 43.796 -34.687 12.944 1 112.3 ? 23 LYS C CE 1 3 +ATOM 3474 N NZ . LYS C 3 23 ? 45.074 -34.483 13.633 1 113.013 ? 23 LYS C NZ 1 3 +ATOM 3475 N N . TYR C 3 24 ? 41.447 -32.628 6.442 1 90.839 ? 24 TYR C N 1 3 +ATOM 3476 C CA . TYR C 3 24 ? 41.254 -32.607 5.007 1 78.073 ? 24 TYR C CA 1 3 +ATOM 3477 C C . TYR C 3 24 ? 42.59 -32.71 4.29 1 85.415 ? 24 TYR C C 1 3 +ATOM 3478 O O . TYR C 3 24 ? 43.656 -32.504 4.871 1 92.182 ? 24 TYR C O 1 3 +ATOM 3479 C CB . TYR C 3 24 ? 40.521 -31.327 4.645 1 73.977 ? 24 TYR C CB 1 3 +ATOM 3480 C CG . TYR C 3 24 ? 39.219 -31.171 5.411 1 73.07 ? 24 TYR C CG 1 3 +ATOM 3481 C CD1 . TYR C 3 24 ? 38.134 -32.008 5.146 1 68.657 ? 24 TYR C CD1 1 3 +ATOM 3482 C CD2 . TYR C 3 24 ? 39.101 -30.198 6.41 1 79.855 ? 24 TYR C CD2 1 3 +ATOM 3483 C CE1 . TYR C 3 24 ? 36.944 -31.879 5.838 1 73.375 ? 24 TYR C CE1 1 3 +ATOM 3484 C CE2 . TYR C 3 24 ? 37.907 -30.048 7.103 1 84.407 ? 24 TYR C CE2 1 3 +ATOM 3485 C CZ . TYR C 3 24 ? 36.835 -30.903 6.822 1 90.836 ? 24 TYR C CZ 1 3 +ATOM 3486 O OH . TYR C 3 24 ? 35.644 -30.779 7.501 1 98.222 ? 24 TYR C OH 1 3 +ATOM 3487 N N . SER C 3 25 ? 42.518 -33.047 3.005 1 92.834 ? 25 SER C N 1 3 +ATOM 3488 C CA . SER C 3 25 ? 43.701 -33.06 2.162 1 96.643 ? 25 SER C CA 1 3 +ATOM 3489 C C . SER C 3 25 ? 43.667 -31.791 1.312 1 90.952 ? 25 SER C C 1 3 +ATOM 3490 O O . SER C 3 25 ? 43.783 -31.863 0.097 1 89.214 ? 25 SER C O 1 3 +ATOM 3491 C CB . SER C 3 25 ? 43.787 -34.357 1.335 1 98.064 ? 25 SER C CB 1 3 +ATOM 3492 O OG . SER C 3 25 ? 42.859 -34.401 0.254 1 106.1 ? 25 SER C OG 1 3 +ATOM 3493 N N . TYR C 3 26 ? 43.487 -30.63 1.962 1 93.709 ? 26 TYR C N 1 3 +ATOM 3494 C CA . TYR C 3 26 ? 43.384 -29.362 1.255 1 110.224 ? 26 TYR C CA 1 3 +ATOM 3495 C C . TYR C 3 26 ? 43.641 -28.178 2.191 1 112.016 ? 26 TYR C C 1 3 +ATOM 3496 O O . TYR C 3 26 ? 43.3 -28.229 3.369 1 111.422 ? 26 TYR C O 1 3 +ATOM 3497 C CB . TYR C 3 26 ? 42.012 -29.282 0.574 1 119.667 ? 26 TYR C CB 1 3 +ATOM 3498 C CG . TYR C 3 26 ? 41.958 -28.549 -0.767 1 115.021 ? 26 TYR C CG 1 3 +ATOM 3499 C CD1 . TYR C 3 26 ? 42.96 -28.672 -1.736 1 104.649 ? 26 TYR C CD1 1 3 +ATOM 3500 C CD2 . TYR C 3 26 ? 40.874 -27.736 -1.068 1 110.968 ? 26 TYR C CD2 1 3 +ATOM 3501 C CE1 . TYR C 3 26 ? 42.891 -27.989 -2.941 1 111.498 ? 26 TYR C CE1 1 3 +ATOM 3502 C CE2 . TYR C 3 26 ? 40.804 -27.035 -2.259 1 119.659 ? 26 TYR C CE2 1 3 +ATOM 3503 C CZ . TYR C 3 26 ? 41.802 -27.164 -3.203 1 124.087 ? 26 TYR C CZ 1 3 +ATOM 3504 O OH . TYR C 3 26 ? 41.571 -26.409 -4.328 1 119.834 ? 26 TYR C OH 1 3 +ATOM 3505 N N . ASN C 3 27 ? 44.254 -27.107 1.653 1 121.532 ? 27 ASN C N 1 3 +ATOM 3506 C CA . ASN C 3 27 ? 44.734 -25.989 2.457 1 117.226 ? 27 ASN C CA 1 3 +ATOM 3507 C C . ASN C 3 27 ? 43.574 -25.029 2.68 1 100.129 ? 27 ASN C C 1 3 +ATOM 3508 O O . ASN C 3 27 ? 43.319 -24.213 1.807 1 108.791 ? 27 ASN C O 1 3 +ATOM 3509 C CB . ASN C 3 27 ? 45.927 -25.293 1.795 1 120.594 ? 27 ASN C CB 1 3 +ATOM 3510 C CG . ASN C 3 27 ? 46.874 -24.635 2.776 1 144.864 ? 27 ASN C CG 1 3 +ATOM 3511 O OD1 . ASN C 3 27 ? 46.765 -24.839 3.988 1 173.188 ? 27 ASN C OD1 1 3 +ATOM 3512 N ND2 . ASN C 3 27 ? 47.803 -23.835 2.278 1 168.288 ? 27 ASN C ND2 1 3 +ATOM 3513 N N . LEU C 3 28 ? 42.896 -25.108 3.837 1 97.372 ? 28 LEU C N 1 3 +ATOM 3514 C CA . LEU C 3 28 ? 41.716 -24.292 4.114 1 100.929 ? 28 LEU C CA 1 3 +ATOM 3515 C C . LEU C 3 28 ? 42.076 -22.896 4.63 1 99.389 ? 28 LEU C C 1 3 +ATOM 3516 O O . LEU C 3 28 ? 41.177 -22.086 4.869 1 91.574 ? 28 LEU C O 1 3 +ATOM 3517 C CB . LEU C 3 28 ? 40.805 -24.964 5.136 1 100.197 ? 28 LEU C CB 1 3 +ATOM 3518 C CG . LEU C 3 28 ? 40.327 -26.376 4.812 1 100.859 ? 28 LEU C CG 1 3 +ATOM 3519 C CD1 . LEU C 3 28 ? 39.32 -26.801 5.856 1 101.246 ? 28 LEU C CD1 1 3 +ATOM 3520 C CD2 . LEU C 3 28 ? 39.743 -26.47 3.419 1 104.953 ? 28 LEU C CD2 1 3 +ATOM 3521 N N . PHE C 3 29 ? 43.373 -22.608 4.814 1 101.479 ? 29 PHE C N 1 3 +ATOM 3522 C CA . PHE C 3 29 ? 43.784 -21.251 5.132 1 107.44 ? 29 PHE C CA 1 3 +ATOM 3523 C C . PHE C 3 29 ? 43.514 -20.401 3.896 1 107.372 ? 29 PHE C C 1 3 +ATOM 3524 O O . PHE C 3 29 ? 43.887 -20.791 2.786 1 111.066 ? 29 PHE C O 1 3 +ATOM 3525 C CB . PHE C 3 29 ? 45.249 -21.104 5.568 1 113.079 ? 29 PHE C CB 1 3 +ATOM 3526 C CG . PHE C 3 29 ? 45.527 -21.268 7.059 1 118.846 ? 29 PHE C CG 1 3 +ATOM 3527 C CD1 . PHE C 3 29 ? 44.598 -20.882 8.023 1 114.48 ? 29 PHE C CD1 1 3 +ATOM 3528 C CD2 . PHE C 3 29 ? 46.733 -21.818 7.495 1 127.916 ? 29 PHE C CD2 1 3 +ATOM 3529 C CE1 . PHE C 3 29 ? 44.874 -21.034 9.377 1 120.14 ? 29 PHE C CE1 1 3 +ATOM 3530 C CE2 . PHE C 3 29 ? 47.003 -21.982 8.844 1 128.734 ? 29 PHE C CE2 1 3 +ATOM 3531 C CZ . PHE C 3 29 ? 46.07 -21.591 9.785 1 128.729 ? 29 PHE C CZ 1 3 +ATOM 3532 N N . SER C 3 30 ? 42.839 -19.259 4.114 1 100.887 ? 30 SER C N 1 3 +ATOM 3533 C CA . SER C 3 30 ? 42.525 -18.322 3.052 1 93.51 ? 30 SER C CA 1 3 +ATOM 3534 C C . SER C 3 30 ? 41.711 -19.021 1.969 1 85.134 ? 30 SER C C 1 3 +ATOM 3535 O O . SER C 3 30 ? 42.086 -19.033 0.799 1 73.622 ? 30 SER C O 1 3 +ATOM 3536 C CB . SER C 3 30 ? 43.777 -17.696 2.489 1 96.171 ? 30 SER C CB 1 3 +ATOM 3537 O OG . SER C 3 30 ? 44.319 -16.729 3.374 1 99.829 ? 30 SER C OG 1 3 +ATOM 3538 N N . ARG C 3 31 ? 40.584 -19.604 2.381 1 88.618 ? 31 ARG C N 1 3 +ATOM 3539 C CA . ARG C 3 31 ? 39.685 -20.252 1.441 1 86.788 ? 31 ARG C CA 1 3 +ATOM 3540 C C . ARG C 3 31 ? 38.259 -19.949 1.844 1 81.926 ? 31 ARG C C 1 3 +ATOM 3541 O O . ARG C 3 31 ? 37.991 -19.818 3.033 1 79.63 ? 31 ARG C O 1 3 +ATOM 3542 C CB . ARG C 3 31 ? 39.843 -21.773 1.329 1 84.939 ? 31 ARG C CB 1 3 +ATOM 3543 C CG . ARG C 3 31 ? 40.944 -22.096 0.328 1 93.834 ? 31 ARG C CG 1 3 +ATOM 3544 C CD . ARG C 3 31 ? 40.873 -23.475 -0.258 1 91.881 ? 31 ARG C CD 1 3 +ATOM 3545 N NE . ARG C 3 31 ? 42.183 -23.902 -0.762 1 97.526 ? 31 ARG C NE 1 3 +ATOM 3546 C CZ . ARG C 3 31 ? 42.551 -23.951 -2.037 1 109.442 ? 31 ARG C CZ 1 3 +ATOM 3547 N NH1 . ARG C 3 31 ? 41.746 -23.535 -2.998 1 115.512 ? 31 ARG C NH1 1 3 +ATOM 3548 N NH2 . ARG C 3 31 ? 43.733 -24.439 -2.358 1 115.551 ? 31 ARG C NH2 1 3 +ATOM 3549 N N . GLU C 3 32 ? 37.389 -19.845 0.838 1 82.182 ? 32 GLU C N 1 3 +ATOM 3550 C CA . GLU C 3 32 ? 35.956 -19.785 1.066 1 82.101 ? 32 GLU C CA 1 3 +ATOM 3551 C C . GLU C 3 32 ? 35.418 -21.216 1.082 1 81.651 ? 32 GLU C C 1 3 +ATOM 3552 O O . GLU C 3 32 ? 35.41 -21.88 0.049 1 89.343 ? 32 GLU C O 1 3 +ATOM 3553 C CB . GLU C 3 32 ? 35.304 -18.946 -0.029 1 84.186 ? 32 GLU C CB 1 3 +ATOM 3554 C CG . GLU C 3 32 ? 34.288 -17.96 0.536 1 87.517 ? 32 GLU C CG 1 3 +ATOM 3555 C CD . GLU C 3 32 ? 34.939 -16.654 0.967 1 99.302 ? 32 GLU C CD 1 3 +ATOM 3556 O OE1 . GLU C 3 32 ? 34.446 -15.971 1.898 1 99.407 ? 32 GLU C OE1 1 3 +ATOM 3557 O OE2 . GLU C 3 32 ? 35.973 -16.337 0.333 1 98.188 ? 32 GLU C OE2 1 3 +ATOM 3558 N N . PHE C 3 33 ? 34.987 -21.703 2.255 1 80.353 ? 33 PHE C N 1 3 +ATOM 3559 C CA . PHE C 3 33 ? 34.566 -23.096 2.394 1 75.007 ? 33 PHE C CA 1 3 +ATOM 3560 C C . PHE C 3 33 ? 33.293 -23.206 3.246 1 81.615 ? 33 PHE C C 1 3 +ATOM 3561 O O . PHE C 3 33 ? 32.877 -22.242 3.901 1 84.731 ? 33 PHE C O 1 3 +ATOM 3562 C CB . PHE C 3 33 ? 35.694 -23.979 2.952 1 69.745 ? 33 PHE C CB 1 3 +ATOM 3563 C CG . PHE C 3 33 ? 36.113 -23.687 4.385 1 73.371 ? 33 PHE C CG 1 3 +ATOM 3564 C CD1 . PHE C 3 33 ? 35.325 -24.093 5.449 1 74.331 ? 33 PHE C CD1 1 3 +ATOM 3565 C CD2 . PHE C 3 33 ? 37.289 -23 4.671 1 83.135 ? 33 PHE C CD2 1 3 +ATOM 3566 C CE1 . PHE C 3 33 ? 35.695 -23.807 6.754 1 78.295 ? 33 PHE C CE1 1 3 +ATOM 3567 C CE2 . PHE C 3 33 ? 37.653 -22.711 5.98 1 81.131 ? 33 PHE C CE2 1 3 +ATOM 3568 C CZ . PHE C 3 33 ? 36.864 -23.132 7.016 1 81.308 ? 33 PHE C CZ 1 3 +ATOM 3569 N N . ARG C 3 34 ? 32.689 -24.407 3.216 1 72.825 ? 34 ARG C N 1 3 +ATOM 3570 C CA . ARG C 3 34 ? 31.534 -24.742 4.029 1 69.817 ? 34 ARG C CA 1 3 +ATOM 3571 C C . ARG C 3 34 ? 31.725 -26.145 4.587 1 68.335 ? 34 ARG C C 1 3 +ATOM 3572 O O . ARG C 3 34 ? 31.502 -27.122 3.882 1 78.041 ? 34 ARG C O 1 3 +ATOM 3573 C CB . ARG C 3 34 ? 30.203 -24.729 3.271 1 70.2 ? 34 ARG C CB 1 3 +ATOM 3574 C CG . ARG C 3 34 ? 28.994 -24.897 4.188 1 70.708 ? 34 ARG C CG 1 3 +ATOM 3575 C CD . ARG C 3 34 ? 27.923 -25.707 3.533 1 73.583 ? 34 ARG C CD 1 3 +ATOM 3576 N NE . ARG C 3 34 ? 26.61 -25.168 3.87 1 78.006 ? 34 ARG C NE 1 3 +ATOM 3577 C CZ . ARG C 3 34 ? 25.699 -25.836 4.544 1 88.74 ? 34 ARG C CZ 1 3 +ATOM 3578 N NH1 . ARG C 3 34 ? 25.995 -26.998 5.1 1 85.29 ? 34 ARG C NH1 1 3 +ATOM 3579 N NH2 . ARG C 3 34 ? 24.489 -25.319 4.704 1 112.633 ? 34 ARG C NH2 1 3 +ATOM 3580 N N . ALA C 3 35 ? 32.106 -26.243 5.864 1 67.834 ? 35 ALA C N 1 3 +ATOM 3581 C CA . ALA C 3 35 ? 32.272 -27.522 6.535 1 73.478 ? 35 ALA C CA 1 3 +ATOM 3582 C C . ALA C 3 35 ? 30.963 -27.94 7.231 1 80.654 ? 35 ALA C C 1 3 +ATOM 3583 O O . ALA C 3 35 ? 30.154 -27.094 7.624 1 87.784 ? 35 ALA C O 1 3 +ATOM 3584 C CB . ALA C 3 35 ? 33.441 -27.403 7.484 1 72.88 ? 35 ALA C CB 1 3 +ATOM 3585 N N . SER C 3 36 ? 30.746 -29.257 7.377 1 75.258 ? 36 SER C N 1 3 +ATOM 3586 C CA . SER C 3 36 ? 29.508 -29.779 7.929 1 75.98 ? 36 SER C CA 1 3 +ATOM 3587 C C . SER C 3 36 ? 29.831 -30.974 8.794 1 78.849 ? 36 SER C C 1 3 +ATOM 3588 O O . SER C 3 36 ? 30.753 -31.735 8.5 1 107.316 ? 36 SER C O 1 3 +ATOM 3589 C CB . SER C 3 36 ? 28.495 -30.215 6.87 1 84.324 ? 36 SER C CB 1 3 +ATOM 3590 O OG . SER C 3 36 ? 28.119 -29.146 6.024 1 101.579 ? 36 SER C OG 1 3 +ATOM 3591 N N . LEU C 3 37 ? 28.985 -31.161 9.799 1 84.368 ? 37 LEU C N 1 3 +ATOM 3592 C CA . LEU C 3 37 ? 28.953 -32.381 10.583 1 83.083 ? 37 LEU C CA 1 3 +ATOM 3593 C C . LEU C 3 37 ? 27.55 -32.959 10.446 1 87.402 ? 37 LEU C C 1 3 +ATOM 3594 O O . LEU C 3 37 ? 26.578 -32.21 10.651 1 80.718 ? 37 LEU C O 1 3 +ATOM 3595 C CB . LEU C 3 37 ? 29.283 -32.033 12.034 1 78.627 ? 37 LEU C CB 1 3 +ATOM 3596 C CG . LEU C 3 37 ? 29.741 -33.189 12.916 1 75.821 ? 37 LEU C CG 1 3 +ATOM 3597 C CD1 . LEU C 3 37 ? 31.093 -33.672 12.375 1 79.75 ? 37 LEU C CD1 1 3 +ATOM 3598 C CD2 . LEU C 3 37 ? 29.762 -32.798 14.405 1 71.822 ? 37 LEU C CD2 1 3 +ATOM 3599 N N . HIS C 3 38 ? 27.459 -34.261 10.101 1 87.875 ? 38 HIS C N 1 3 +ATOM 3600 C CA . HIS C 3 38 ? 26.179 -34.955 9.99 1 83.703 ? 38 HIS C CA 1 3 +ATOM 3601 C C . HIS C 3 38 ? 26.144 -36.171 10.905 1 77.978 ? 38 HIS C C 1 3 +ATOM 3602 O O . HIS C 3 38 ? 27.137 -36.866 11.065 1 74.532 ? 38 HIS C O 1 3 +ATOM 3603 C CB . HIS C 3 38 ? 25.876 -35.364 8.551 1 90.112 ? 38 HIS C CB 1 3 +ATOM 3604 C CG . HIS C 3 38 ? 25.799 -34.203 7.615 1 90.615 ? 38 HIS C CG 1 3 +ATOM 3605 N ND1 . HIS C 3 38 ? 26.948 -33.87 6.933 1 96.86 ? 38 HIS C ND1 1 3 +ATOM 3606 C CD2 . HIS C 3 38 ? 24.866 -33.301 7.263 1 89.287 ? 38 HIS C CD2 1 3 +ATOM 3607 C CE1 . HIS C 3 38 ? 26.704 -32.829 6.163 1 107.328 ? 38 HIS C CE1 1 3 +ATOM 3608 N NE2 . HIS C 3 38 ? 25.451 -32.451 6.363 1 108.138 ? 38 HIS C NE2 1 3 +ATOM 3609 N N . LYS C 3 39 ? 24.985 -36.407 11.52 1 80.966 ? 39 LYS C N 1 3 +ATOM 3610 C CA . LYS C 3 39 ? 24.84 -37.48 12.486 1 84.246 ? 39 LYS C CA 1 3 +ATOM 3611 C C . LYS C 3 39 ? 23.926 -38.518 11.871 1 80.374 ? 39 LYS C C 1 3 +ATOM 3612 O O . LYS C 3 39 ? 22.935 -38.156 11.251 1 78.36 ? 39 LYS C O 1 3 +ATOM 3613 C CB . LYS C 3 39 ? 24.238 -36.977 13.804 1 84.473 ? 39 LYS C CB 1 3 +ATOM 3614 C CG . LYS C 3 39 ? 23.948 -38.041 14.871 1 87.619 ? 39 LYS C CG 1 3 +ATOM 3615 C CD . LYS C 3 39 ? 22.984 -37.52 15.925 1 86.072 ? 39 LYS C CD 1 3 +ATOM 3616 C CE . LYS C 3 39 ? 21.89 -38.486 16.278 1 99.827 ? 39 LYS C CE 1 3 +ATOM 3617 N NZ . LYS C 3 39 ? 22.235 -39.324 17.432 1 110.988 ? 39 LYS C NZ 1 3 +ATOM 3618 N N . GLY C 3 40 ? 24.282 -39.795 12.064 1 80.866 ? 40 GLY C N 1 3 +ATOM 3619 C CA . GLY C 3 40 ? 23.445 -40.898 11.629 1 88.789 ? 40 GLY C CA 1 3 +ATOM 3620 C C . GLY C 3 40 ? 24.029 -41.587 10.399 1 90.267 ? 40 GLY C C 1 3 +ATOM 3621 O O . GLY C 3 40 ? 24.696 -40.957 9.565 1 91.575 ? 40 GLY C O 1 3 +ATOM 3622 N N . LEU C 3 41 ? 23.711 -42.878 10.274 1 97.42 ? 41 LEU C N 1 3 +ATOM 3623 C CA . LEU C 3 41 ? 24.203 -43.701 9.176 1 111.141 ? 41 LEU C CA 1 3 +ATOM 3624 C C . LEU C 3 41 ? 23.679 -43.174 7.844 1 118.446 ? 41 LEU C C 1 3 +ATOM 3625 O O . LEU C 3 41 ? 24.417 -43.138 6.861 1 119.705 ? 41 LEU C O 1 3 +ATOM 3626 C CB . LEU C 3 41 ? 23.831 -45.171 9.384 1 111.373 ? 41 LEU C CB 1 3 +ATOM 3627 C CG . LEU C 3 41 ? 24.622 -45.911 10.47 1 109.915 ? 41 LEU C CG 1 3 +ATOM 3628 C CD1 . LEU C 3 41 ? 24.02 -47.28 10.8 1 101.086 ? 41 LEU C CD1 1 3 +ATOM 3629 C CD2 . LEU C 3 41 ? 26.078 -46.014 10.036 1 115.543 ? 41 LEU C CD2 1 3 +ATOM 3630 N N . ASP C 3 42 ? 22.413 -42.734 7.857 1 131.267 ? 42 ASP C N 1 3 +ATOM 3631 C CA . ASP C 3 42 ? 21.729 -42.179 6.7 1 129.781 ? 42 ASP C CA 1 3 +ATOM 3632 C C . ASP C 3 42 ? 22.064 -40.696 6.516 1 131.048 ? 42 ASP C C 1 3 +ATOM 3633 O O . ASP C 3 42 ? 21.396 -40.056 5.711 1 157.454 ? 42 ASP C O 1 3 +ATOM 3634 C CB . ASP C 3 42 ? 20.222 -42.391 6.818 1 124.29 ? 42 ASP C CB 1 3 +ATOM 3635 C CG . ASP C 3 42 ? 19.583 -41.867 8.102 1 114.659 ? 42 ASP C CG 1 3 +ATOM 3636 O OD1 . ASP C 3 42 ? 20.31 -41.416 8.995 1 114.244 ? 42 ASP C OD1 1 3 +ATOM 3637 O OD2 . ASP C 3 42 ? 18.356 -41.939 8.238 1 105.849 ? 42 ASP C OD2 1 3 +ATOM 3638 N N . SER C 3 43 ? 23.048 -40.163 7.277 1 127.988 ? 43 SER C N 1 3 +ATOM 3639 C CA . SER C 3 43 ? 23.5 -38.763 7.27 1 116.71 ? 43 SER C CA 1 3 +ATOM 3640 C C . SER C 3 43 ? 22.367 -37.736 7.187 1 117.894 ? 43 SER C C 1 3 +ATOM 3641 O O . SER C 3 43 ? 22.549 -36.668 6.586 1 110.312 ? 43 SER C O 1 3 +ATOM 3642 C CB . SER C 3 43 ? 24.501 -38.495 6.185 1 103.06 ? 43 SER C CB 1 3 +ATOM 3643 O OG . SER C 3 43 ? 25.724 -39.114 6.52 1 120.207 ? 43 SER C OG 1 3 +ATOM 3644 N N . ALA C 3 44 ? 21.224 -38.04 7.828 1 121.444 ? 44 ALA C N 1 3 +ATOM 3645 C CA . ALA C 3 44 ? 20.048 -37.182 7.756 1 123.841 ? 44 ALA C CA 1 3 +ATOM 3646 C C . ALA C 3 44 ? 20.296 -35.849 8.469 1 113.141 ? 44 ALA C C 1 3 +ATOM 3647 O O . ALA C 3 44 ? 20.317 -34.803 7.822 1 116.835 ? 44 ALA C O 1 3 +ATOM 3648 C CB . ALA C 3 44 ? 18.83 -37.902 8.308 1 133.203 ? 44 ALA C CB 1 3 +ATOM 3649 N N . VAL C 3 45 ? 20.525 -35.901 9.788 1 104.41 ? 45 VAL C N 1 3 +ATOM 3650 C CA . VAL C 3 45 ? 20.617 -34.719 10.632 1 89.872 ? 45 VAL C CA 1 3 +ATOM 3651 C C . VAL C 3 45 ? 21.94 -34.004 10.388 1 81.301 ? 45 VAL C C 1 3 +ATOM 3652 O O . VAL C 3 45 ? 22.981 -34.647 10.448 1 76.148 ? 45 VAL C O 1 3 +ATOM 3653 C CB . VAL C 3 45 ? 20.535 -35.082 12.125 1 91.656 ? 45 VAL C CB 1 3 +ATOM 3654 C CG1 . VAL C 3 45 ? 20.749 -33.832 12.974 1 106.585 ? 45 VAL C CG1 1 3 +ATOM 3655 C CG2 . VAL C 3 45 ? 19.269 -35.842 12.501 1 93.684 ? 45 VAL C CG2 1 3 +ATOM 3656 N N . GLU C 3 46 ? 21.884 -32.679 10.196 1 87.999 ? 46 GLU C N 1 3 +ATOM 3657 C CA . GLU C 3 46 ? 23.077 -31.854 10.072 1 91.022 ? 46 GLU C CA 1 3 +ATOM 3658 C C . GLU C 3 46 ? 23.328 -31.175 11.411 1 75.393 ? 46 GLU C C 1 3 +ATOM 3659 O O . GLU C 3 46 ? 22.604 -30.287 11.783 1 82.347 ? 46 GLU C O 1 3 +ATOM 3660 C CB . GLU C 3 46 ? 22.937 -30.838 8.936 1 101.584 ? 46 GLU C CB 1 3 +ATOM 3661 C CG . GLU C 3 46 ? 24.195 -30.002 8.727 1 105.47 ? 46 GLU C CG 1 3 +ATOM 3662 C CD . GLU C 3 46 ? 24.257 -29.305 7.384 1 112.833 ? 46 GLU C CD 1 3 +ATOM 3663 O OE1 . GLU C 3 46 ? 23.322 -28.5 7.11 1 106.877 ? 46 GLU C OE1 1 3 +ATOM 3664 O OE2 . GLU C 3 46 ? 25.242 -29.587 6.647 1 110.281 ? 46 GLU C OE2 1 3 +ATOM 3665 N N . VAL C 3 47 ? 24.351 -31.611 12.133 1 71.722 ? 47 VAL C N 1 3 +ATOM 3666 C CA . VAL C 3 47 ? 24.644 -31.133 13.477 1 83.804 ? 47 VAL C CA 1 3 +ATOM 3667 C C . VAL C 3 47 ? 25.188 -29.689 13.47 1 85.241 ? 47 VAL C C 1 3 +ATOM 3668 O O . VAL C 3 47 ? 24.828 -28.859 14.312 1 69.516 ? 47 VAL C O 1 3 +ATOM 3669 C CB . VAL C 3 47 ? 25.655 -32.119 14.116 1 88.311 ? 47 VAL C CB 1 3 +ATOM 3670 C CG1 . VAL C 3 47 ? 26.226 -31.62 15.439 1 85.484 ? 47 VAL C CG1 1 3 +ATOM 3671 C CG2 . VAL C 3 47 ? 25.076 -33.519 14.319 1 92.634 ? 47 VAL C CG2 1 3 +ATOM 3672 N N . CYS C 3 48 ? 26.128 -29.397 12.567 1 87.89 ? 48 CYS C N 1 3 +ATOM 3673 C CA . CYS C 3 48 ? 26.876 -28.144 12.631 1 85.41 ? 48 CYS C CA 1 3 +ATOM 3674 C C . CYS C 3 48 ? 27.396 -27.736 11.253 1 85.398 ? 48 CYS C C 1 3 +ATOM 3675 O O . CYS C 3 48 ? 27.696 -28.581 10.411 1 82.535 ? 48 CYS C O 1 3 +ATOM 3676 C CB . CYS C 3 48 ? 28.061 -28.235 13.581 1 85.82 ? 48 CYS C CB 1 3 +ATOM 3677 S SG . CYS C 3 48 ? 28.657 -26.624 14.155 0.71 101.97 ? 48 CYS C SG 1 3 +ATOM 3678 N N . VAL C 3 49 ? 27.473 -26.416 11.023 1 93.686 ? 49 VAL C N 1 3 +ATOM 3679 C CA . VAL C 3 49 ? 27.872 -25.881 9.728 1 85.835 ? 49 VAL C CA 1 3 +ATOM 3680 C C . VAL C 3 49 ? 28.851 -24.734 9.935 1 77.477 ? 49 VAL C C 1 3 +ATOM 3681 O O . VAL C 3 49 ? 28.426 -23.69 10.393 1 79.791 ? 49 VAL C O 1 3 +ATOM 3682 C CB . VAL C 3 49 ? 26.689 -25.377 8.888 1 82.797 ? 49 VAL C CB 1 3 +ATOM 3683 C CG1 . VAL C 3 49 ? 27.218 -24.893 7.537 1 87.129 ? 49 VAL C CG1 1 3 +ATOM 3684 C CG2 . VAL C 3 49 ? 25.559 -26.407 8.77 1 77.848 ? 49 VAL C CG2 1 3 +ATOM 3685 N N . VAL C 3 50 ? 30.129 -24.946 9.602 1 75.084 ? 50 VAL C N 1 3 +ATOM 3686 C CA . VAL C 3 50 ? 31.168 -23.959 9.824 1 85.114 ? 50 VAL C CA 1 3 +ATOM 3687 C C . VAL C 3 50 ? 31.54 -23.396 8.46 1 81.059 ? 50 VAL C C 1 3 +ATOM 3688 O O . VAL C 3 50 ? 32.183 -24.089 7.705 1 82.719 ? 50 VAL C O 1 3 +ATOM 3689 C CB . VAL C 3 50 ? 32.378 -24.557 10.583 1 90.861 ? 50 VAL C CB 1 3 +ATOM 3690 C CG1 . VAL C 3 50 ? 33.608 -23.653 10.55 1 105.058 ? 50 VAL C CG1 1 3 +ATOM 3691 C CG2 . VAL C 3 50 ? 32.02 -24.857 12.047 1 97.19 ? 50 VAL C CG2 1 3 +ATOM 3692 N N . TYR C 3 51 ? 31.154 -22.146 8.166 1 84.896 ? 51 TYR C N 1 3 +ATOM 3693 C CA . TYR C 3 51 ? 31.528 -21.459 6.932 1 76.719 ? 51 TYR C CA 1 3 +ATOM 3694 C C . TYR C 3 51 ? 32.832 -20.693 7.134 1 74.907 ? 51 TYR C C 1 3 +ATOM 3695 O O . TYR C 3 51 ? 32.981 -19.951 8.108 1 71.141 ? 51 TYR C O 1 3 +ATOM 3696 C CB . TYR C 3 51 ? 30.526 -20.394 6.49 1 72.945 ? 51 TYR C CB 1 3 +ATOM 3697 C CG . TYR C 3 51 ? 29.227 -20.916 5.906 1 73.8 ? 51 TYR C CG 1 3 +ATOM 3698 C CD1 . TYR C 3 51 ? 29.122 -21.197 4.558 1 79.135 ? 51 TYR C CD1 1 3 +ATOM 3699 C CD2 . TYR C 3 51 ? 28.098 -21.08 6.698 1 76.587 ? 51 TYR C CD2 1 3 +ATOM 3700 C CE1 . TYR C 3 51 ? 27.924 -21.621 4.003 1 89.342 ? 51 TYR C CE1 1 3 +ATOM 3701 C CE2 . TYR C 3 51 ? 26.893 -21.499 6.157 1 89.453 ? 51 TYR C CE2 1 3 +ATOM 3702 C CZ . TYR C 3 51 ? 26.8 -21.78 4.804 1 89.59 ? 51 TYR C CZ 1 3 +ATOM 3703 O OH . TYR C 3 51 ? 25.581 -22.192 4.319 1 77.847 ? 51 TYR C OH 1 3 +ATOM 3704 N N . GLY C 3 52 ? 33.754 -20.843 6.177 1 74.682 ? 52 GLY C N 1 3 +ATOM 3705 C CA . GLY C 3 52 ? 35.047 -20.174 6.253 1 79.516 ? 52 GLY C CA 1 3 +ATOM 3706 C C . GLY C 3 52 ? 35.196 -19.06 5.224 1 79.115 ? 52 GLY C C 1 3 +ATOM 3707 O O . GLY C 3 52 ? 34.725 -19.201 4.106 1 89.366 ? 52 GLY C O 1 3 +ATOM 3708 N N . ASN C 3 53 ? 35.896 -17.991 5.634 1 83.33 ? 53 ASN C N 1 3 +ATOM 3709 C CA . ASN C 3 53 ? 36.156 -16.793 4.848 1 89.897 ? 53 ASN C CA 1 3 +ATOM 3710 C C . ASN C 3 53 ? 37.581 -16.776 4.314 1 94.6 ? 53 ASN C C 1 3 +ATOM 3711 O O . ASN C 3 53 ? 38.451 -17.508 4.809 1 106.841 ? 53 ASN C O 1 3 +ATOM 3712 C CB . ASN C 3 53 ? 36.087 -15.527 5.693 1 97.844 ? 53 ASN C CB 1 3 +ATOM 3713 C CG . ASN C 3 53 ? 34.995 -14.59 5.277 1 103.606 ? 53 ASN C CG 1 3 +ATOM 3714 O OD1 . ASN C 3 53 ? 34.467 -14.705 4.168 1 135.023 ? 53 ASN C OD1 1 3 +ATOM 3715 N ND2 . ASN C 3 53 ? 34.668 -13.664 6.149 1 95.852 ? 53 ASN C ND2 1 3 +ATOM 3716 N N . TYR C 3 54 ? 37.806 -15.88 3.346 1 92.851 ? 54 TYR C N 1 3 +ATOM 3717 C CA . TYR C 3 54 ? 39.132 -15.691 2.781 1 100.17 ? 54 TYR C CA 1 3 +ATOM 3718 C C . TYR C 3 54 ? 40.044 -15.093 3.853 1 106.832 ? 54 TYR C C 1 3 +ATOM 3719 O O . TYR C 3 54 ? 41.219 -15.446 3.959 1 121.663 ? 54 TYR C O 1 3 +ATOM 3720 C CB . TYR C 3 54 ? 39.144 -14.815 1.524 1 97.42 ? 54 TYR C CB 1 3 +ATOM 3721 C CG . TYR C 3 54 ? 40.486 -14.896 0.801 1 103.168 ? 54 TYR C CG 1 3 +ATOM 3722 C CD1 . TYR C 3 54 ? 40.803 -16.006 0.022 1 101.469 ? 54 TYR C CD1 1 3 +ATOM 3723 C CD2 . TYR C 3 54 ? 41.448 -13.888 0.92 1 107.436 ? 54 TYR C CD2 1 3 +ATOM 3724 C CE1 . TYR C 3 54 ? 42.013 -16.091 -0.648 1 109.69 ? 54 TYR C CE1 1 3 +ATOM 3725 C CE2 . TYR C 3 54 ? 42.67 -13.967 0.265 1 104.346 ? 54 TYR C CE2 1 3 +ATOM 3726 C CZ . TYR C 3 54 ? 42.951 -15.075 -0.52 1 109.919 ? 54 TYR C CZ 1 3 +ATOM 3727 O OH . TYR C 3 54 ? 44.134 -15.206 -1.192 1 108.275 ? 54 TYR C OH 1 3 +ATOM 3728 N N . SER C 3 55 ? 39.49 -14.189 4.665 1 101.744 ? 55 SER C N 1 3 +ATOM 3729 C CA . SER C 3 55 ? 40.257 -13.543 5.712 1 104.998 ? 55 SER C CA 1 3 +ATOM 3730 C C . SER C 3 55 ? 40.168 -14.369 6.992 1 111.294 ? 55 SER C C 1 3 +ATOM 3731 O O . SER C 3 55 ? 40.23 -13.818 8.084 1 125.148 ? 55 SER C O 1 3 +ATOM 3732 C CB . SER C 3 55 ? 39.797 -12.124 5.886 1 108.226 ? 55 SER C CB 1 3 +ATOM 3733 O OG . SER C 3 55 ? 38.388 -12.031 5.719 1 113.68 ? 55 SER C OG 1 3 +ATOM 3734 N N . GLN C 3 56 ? 40.056 -15.698 6.821 1 114.727 ? 56 GLN C N 1 3 +ATOM 3735 C CA . GLN C 3 56 ? 40.143 -16.718 7.855 1 112.991 ? 56 GLN C CA 1 3 +ATOM 3736 C C . GLN C 3 56 ? 39.167 -16.465 8.995 1 107.994 ? 56 GLN C C 1 3 +ATOM 3737 O O . GLN C 3 56 ? 39.446 -16.85 10.124 1 106.742 ? 56 GLN C O 1 3 +ATOM 3738 C CB . GLN C 3 56 ? 41.559 -16.839 8.409 1 116.549 ? 56 GLN C CB 1 3 +ATOM 3739 C CG . GLN C 3 56 ? 42.577 -17.281 7.368 1 118.889 ? 56 GLN C CG 1 3 +ATOM 3740 C CD . GLN C 3 56 ? 43.986 -17.236 7.901 1 117.061 ? 56 GLN C CD 1 3 +ATOM 3741 O OE1 . GLN C 3 56 ? 44.206 -17.111 9.108 1 114.669 ? 56 GLN C OE1 1 3 +ATOM 3742 N NE2 . GLN C 3 56 ? 44.948 -17.374 7.001 1 126.904 ? 56 GLN C NE2 1 3 +ATOM 3743 N N . GLN C 3 57 ? 38.002 -15.889 8.687 1 110.028 ? 57 GLN C N 1 3 +ATOM 3744 C CA . GLN C 3 57 ? 36.977 -15.676 9.69 1 114.058 ? 57 GLN C CA 1 3 +ATOM 3745 C C . GLN C 3 57 ? 35.979 -16.832 9.622 1 110.989 ? 57 GLN C C 1 3 +ATOM 3746 O O . GLN C 3 57 ? 35.826 -17.494 8.598 1 110.935 ? 57 GLN C O 1 3 +ATOM 3747 C CB . GLN C 3 57 ? 36.366 -14.296 9.455 1 114.405 ? 57 GLN C CB 1 3 +ATOM 3748 C CG . GLN C 3 57 ? 36.432 -13.374 10.662 1 131.192 ? 57 GLN C CG 1 3 +ATOM 3749 C CD . GLN C 3 57 ? 37.829 -12.853 10.927 1 142.742 ? 57 GLN C CD 1 3 +ATOM 3750 O OE1 . GLN C 3 57 ? 38.397 -12.1 10.127 1 136.694 ? 57 GLN C OE1 1 3 +ATOM 3751 N NE2 . GLN C 3 57 ? 38.386 -13.223 12.074 1 150.835 ? 57 GLN C NE2 1 3 +ATOM 3752 N N . LEU C 3 58 ? 35.277 -17.085 10.728 1 101.917 ? 58 LEU C N 1 3 +ATOM 3753 C CA . LEU C 3 58 ? 34.367 -18.22 10.776 1 99.146 ? 58 LEU C CA 1 3 +ATOM 3754 C C . LEU C 3 58 ? 32.938 -17.791 11.125 1 99.219 ? 58 LEU C C 1 3 +ATOM 3755 O O . LEU C 3 58 ? 32.716 -16.986 12.025 1 115.361 ? 58 LEU C O 1 3 +ATOM 3756 C CB . LEU C 3 58 ? 34.881 -19.251 11.785 1 101.821 ? 58 LEU C CB 1 3 +ATOM 3757 C CG . LEU C 3 58 ? 36.022 -20.183 11.348 1 102.593 ? 58 LEU C CG 1 3 +ATOM 3758 C CD1 . LEU C 3 58 ? 36.266 -21.314 12.391 1 104.002 ? 58 LEU C CD1 1 3 +ATOM 3759 C CD2 . LEU C 3 58 ? 35.803 -20.789 9.958 1 95.573 ? 58 LEU C CD2 1 3 +ATOM 3760 N N . GLN C 3 59 ? 31.963 -18.421 10.463 1 95.139 ? 59 GLN C N 1 3 +ATOM 3761 C CA . GLN C 3 59 ? 30.548 -18.27 10.778 1 97.253 ? 59 GLN C CA 1 3 +ATOM 3762 C C . GLN C 3 59 ? 29.984 -19.644 11.155 1 92.995 ? 59 GLN C C 1 3 +ATOM 3763 O O . GLN C 3 59 ? 29.579 -20.397 10.286 1 95.171 ? 59 GLN C O 1 3 +ATOM 3764 C CB . GLN C 3 59 ? 29.875 -17.765 9.501 1 104.81 ? 59 GLN C CB 1 3 +ATOM 3765 C CG . GLN C 3 59 ? 28.911 -16.601 9.667 1 116.274 ? 59 GLN C CG 1 3 +ATOM 3766 C CD . GLN C 3 59 ? 28.562 -15.952 8.337 1 130.595 ? 59 GLN C CD 1 3 +ATOM 3767 O OE1 . GLN C 3 59 ? 28.584 -16.582 7.272 1 143.512 ? 59 GLN C OE1 1 3 +ATOM 3768 N NE2 . GLN C 3 59 ? 28.212 -14.674 8.366 1 139.266 ? 59 GLN C NE2 1 3 +ATOM 3769 N N . VAL C 3 60 ? 29.924 -19.972 12.449 1 94.213 ? 60 VAL C N 1 3 +ATOM 3770 C CA . VAL C 3 60 ? 29.47 -21.284 12.916 1 89.853 ? 60 VAL C CA 1 3 +ATOM 3771 C C . VAL C 3 60 ? 27.955 -21.266 13.168 1 82.184 ? 60 VAL C C 1 3 +ATOM 3772 O O . VAL C 3 60 ? 27.422 -20.311 13.68 1 97.773 ? 60 VAL C O 1 3 +ATOM 3773 C CB . VAL C 3 60 ? 30.301 -21.719 14.154 1 91.269 ? 60 VAL C CB 1 3 +ATOM 3774 C CG1 . VAL C 3 60 ? 29.856 -23.055 14.743 1 94.038 ? 60 VAL C CG1 1 3 +ATOM 3775 C CG2 . VAL C 3 60 ? 31.8 -21.792 13.827 1 91.142 ? 60 VAL C CG2 1 3 +ATOM 3776 N N . TYR C 3 61 ? 27.241 -22.328 12.772 1 85.199 ? 61 TYR C N 1 3 +ATOM 3777 C CA . TYR C 3 61 ? 25.797 -22.461 12.96 1 87.781 ? 61 TYR C CA 1 3 +ATOM 3778 C C . TYR C 3 61 ? 25.48 -23.84 13.548 1 93.551 ? 61 TYR C C 1 3 +ATOM 3779 O O . TYR C 3 61 ? 26.075 -24.81 13.092 1 90.332 ? 61 TYR C O 1 3 +ATOM 3780 C CB . TYR C 3 61 ? 25.057 -22.351 11.623 1 79.817 ? 61 TYR C CB 1 3 +ATOM 3781 C CG . TYR C 3 61 ? 25.15 -20.984 10.973 1 81.38 ? 61 TYR C CG 1 3 +ATOM 3782 C CD1 . TYR C 3 61 ? 24.215 -20.002 11.251 1 96.288 ? 61 TYR C CD1 1 3 +ATOM 3783 C CD2 . TYR C 3 61 ? 26.185 -20.655 10.106 1 89.264 ? 61 TYR C CD2 1 3 +ATOM 3784 C CE1 . TYR C 3 61 ? 24.304 -18.733 10.691 1 105.295 ? 61 TYR C CE1 1 3 +ATOM 3785 C CE2 . TYR C 3 61 ? 26.291 -19.391 9.544 1 92.971 ? 61 TYR C CE2 1 3 +ATOM 3786 C CZ . TYR C 3 61 ? 25.342 -18.431 9.825 1 98.522 ? 61 TYR C CZ 1 3 +ATOM 3787 O OH . TYR C 3 61 ? 25.467 -17.209 9.231 1 108.929 ? 61 TYR C OH 1 3 +ATOM 3788 N N . SER C 3 62 ? 24.577 -23.908 14.545 1 95.849 ? 62 SER C N 1 3 +ATOM 3789 C CA . SER C 3 62 ? 24.177 -25.158 15.185 1 101.939 ? 62 SER C CA 1 3 +ATOM 3790 C C . SER C 3 62 ? 22.69 -25.397 14.958 1 116.853 ? 62 SER C C 1 3 +ATOM 3791 O O . SER C 3 62 ? 21.907 -24.596 15.458 1 135.474 ? 62 SER C O 1 3 +ATOM 3792 C CB . SER C 3 62 ? 24.362 -25.091 16.655 1 103.136 ? 62 SER C CB 1 3 +ATOM 3793 O OG . SER C 3 62 ? 25.614 -24.568 17.062 1 98.384 ? 62 SER C OG 1 3 +ATOM 3794 N N . LYS C 3 63 ? 22.294 -26.459 14.241 1 115.236 ? 63 LYS C N 1 3 +ATOM 3795 C CA . LYS C 3 63 ? 21.037 -26.341 13.513 1 140.831 ? 63 LYS C CA 1 3 +ATOM 3796 C C . LYS C 3 63 ? 19.904 -27.128 14.161 1 143.968 ? 63 LYS C C 1 3 +ATOM 3797 O O . LYS C 3 63 ? 18.73 -26.754 14.03 1 137.686 ? 63 LYS C O 1 3 +ATOM 3798 C CB . LYS C 3 63 ? 21.094 -26.729 12.032 1 136.714 ? 63 LYS C CB 1 3 +ATOM 3799 C CG . LYS C 3 63 ? 22.125 -26.047 11.154 1 132.996 ? 63 LYS C CG 1 3 +ATOM 3800 C CD . LYS C 3 63 ? 21.604 -25.846 9.739 1 132.537 ? 63 LYS C CD 1 3 +ATOM 3801 C CE . LYS C 3 63 ? 20.391 -24.967 9.68 1 126.532 ? 63 LYS C CE 1 3 +ATOM 3802 N NZ . LYS C 3 63 ? 20.106 -24.698 8.278 1 137.018 ? 63 LYS C NZ 1 3 +ATOM 3803 N N . THR C 3 64 ? 20.269 -28.243 14.807 1 129.308 ? 64 THR C N 1 3 +ATOM 3804 C CA . THR C 3 64 ? 19.296 -29.284 15.104 1 132.918 ? 64 THR C CA 1 3 +ATOM 3805 C C . THR C 3 64 ? 19.24 -29.527 16.607 1 119.543 ? 64 THR C C 1 3 +ATOM 3806 O O . THR C 3 64 ? 19.009 -30.65 17.052 1 126.087 ? 64 THR C O 1 3 +ATOM 3807 C CB . THR C 3 64 ? 19.642 -30.559 14.321 1 139.453 ? 64 THR C CB 1 3 +ATOM 3808 O OG1 . THR C 3 64 ? 21.031 -30.835 14.502 1 154.607 ? 64 THR C OG1 1 3 +ATOM 3809 C CG2 . THR C 3 64 ? 19.347 -30.445 12.833 1 126.541 ? 64 THR C CG2 1 3 +ATOM 3810 N N . GLY C 3 65 ? 19.442 -28.469 17.396 1 112.646 ? 65 GLY C N 1 3 +ATOM 3811 C CA . GLY C 3 65 ? 19.46 -28.594 18.852 1 116.167 ? 65 GLY C CA 1 3 +ATOM 3812 C C . GLY C 3 65 ? 20.762 -29.227 19.358 1 102.717 ? 65 GLY C C 1 3 +ATOM 3813 O O . GLY C 3 65 ? 20.753 -30.12 20.21 1 90.34 ? 65 GLY C O 1 3 +ATOM 3814 N N . PHE C 3 66 ? 21.87 -28.783 18.752 1 99.994 ? 66 PHE C N 1 3 +ATOM 3815 C CA . PHE C 3 66 ? 23.214 -29.081 19.215 1 88.651 ? 66 PHE C CA 1 3 +ATOM 3816 C C . PHE C 3 66 ? 23.918 -27.795 19.646 1 87.222 ? 66 PHE C C 1 3 +ATOM 3817 O O . PHE C 3 66 ? 23.675 -26.719 19.12 1 86.92 ? 66 PHE C O 1 3 +ATOM 3818 C CB . PHE C 3 66 ? 23.989 -29.737 18.076 1 86.369 ? 66 PHE C CB 1 3 +ATOM 3819 C CG . PHE C 3 66 ? 23.655 -31.209 17.897 1 92.82 ? 66 PHE C CG 1 3 +ATOM 3820 C CD1 . PHE C 3 66 ? 24.324 -32.178 18.641 1 94.459 ? 66 PHE C CD1 1 3 +ATOM 3821 C CD2 . PHE C 3 66 ? 22.672 -31.61 16.989 1 85.183 ? 66 PHE C CD2 1 3 +ATOM 3822 C CE1 . PHE C 3 66 ? 24.033 -33.517 18.443 1 83.681 ? 66 PHE C CE1 1 3 +ATOM 3823 C CE2 . PHE C 3 66 ? 22.366 -32.943 16.824 1 73.812 ? 66 PHE C CE2 1 3 +ATOM 3824 C CZ . PHE C 3 66 ? 23.034 -33.885 17.559 1 76.809 ? 66 PHE C CZ 1 3 +ATOM 3825 N N . ASN C 3 67 ? 24.829 -27.931 20.6 1 89.931 ? 67 ASN C N 1 3 +ATOM 3826 C CA . ASN C 3 67 ? 25.648 -26.847 21.1 1 93.377 ? 67 ASN C CA 1 3 +ATOM 3827 C C . ASN C 3 67 ? 26.994 -26.984 20.384 1 89.361 ? 67 ASN C C 1 3 +ATOM 3828 O O . ASN C 3 67 ? 27.866 -27.72 20.824 1 91.315 ? 67 ASN C O 1 3 +ATOM 3829 C CB . ASN C 3 67 ? 25.648 -26.924 22.628 1 108.906 ? 67 ASN C CB 1 3 +ATOM 3830 C CG . ASN C 3 67 ? 26.394 -25.824 23.344 1 139.848 ? 67 ASN C CG 1 3 +ATOM 3831 O OD1 . ASN C 3 67 ? 27.116 -25.013 22.74 1 138.261 ? 67 ASN C OD1 1 3 +ATOM 3832 N ND2 . ASN C 3 67 ? 26.225 -25.809 24.66 1 164.708 ? 67 ASN C ND2 1 3 +ATOM 3833 N N . CYS C 3 68 ? 27.166 -26.299 19.251 1 94.121 ? 68 CYS C N 1 3 +ATOM 3834 C CA . CYS C 3 68 ? 28.384 -26.422 18.457 1 87.93 ? 68 CYS C CA 1 3 +ATOM 3835 C C . CYS C 3 68 ? 29.21 -25.136 18.448 1 82.328 ? 68 CYS C C 1 3 +ATOM 3836 O O . CYS C 3 68 ? 28.663 -24.026 18.462 1 87.144 ? 68 CYS C O 1 3 +ATOM 3837 C CB . CYS C 3 68 ? 28.044 -26.801 17.027 1 91.756 ? 68 CYS C CB 1 3 +ATOM 3838 S SG . CYS C 3 68 ? 29.489 -27.078 15.984 0.78 107.423 ? 68 CYS C SG 1 3 +ATOM 3839 N N . ASP C 3 69 ? 30.541 -25.323 18.39 1 76.446 ? 69 ASP C N 1 3 +ATOM 3840 C CA . ASP C 3 69 ? 31.548 -24.267 18.271 1 82.493 ? 69 ASP C CA 1 3 +ATOM 3841 C C . ASP C 3 69 ? 32.611 -24.736 17.267 1 82.192 ? 69 ASP C C 1 3 +ATOM 3842 O O . ASP C 3 69 ? 32.846 -25.944 17.152 1 98.689 ? 69 ASP C O 1 3 +ATOM 3843 C CB . ASP C 3 69 ? 32.199 -23.928 19.616 1 91.026 ? 69 ASP C CB 1 3 +ATOM 3844 C CG . ASP C 3 69 ? 31.514 -22.953 20.593 1 96.266 ? 69 ASP C CG 1 3 +ATOM 3845 O OD1 . ASP C 3 69 ? 30.365 -22.48 20.321 1 91.529 ? 69 ASP C OD1 1 3 +ATOM 3846 O OD2 . ASP C 3 69 ? 32.122 -22.668 21.664 1 94.046 ? 69 ASP C OD2 1 3 +ATOM 3847 N N . GLY C 3 70 ? 33.254 -23.801 16.536 1 83.981 ? 70 GLY C N 1 3 +ATOM 3848 C CA . GLY C 3 70 ? 34.167 -24.144 15.439 1 84.841 ? 70 GLY C CA 1 3 +ATOM 3849 C C . GLY C 3 70 ? 35.559 -23.499 15.57 1 86.219 ? 70 GLY C C 1 3 +ATOM 3850 O O . GLY C 3 70 ? 35.662 -22.336 15.936 1 113.956 ? 70 GLY C O 1 3 +ATOM 3851 N N . LYS C 3 71 ? 36.632 -24.24 15.236 1 82.98 ? 71 LYS C N 1 3 +ATOM 3852 C CA . LYS C 3 71 ? 37.997 -23.721 15.203 1 83.08 ? 71 LYS C CA 1 3 +ATOM 3853 C C . LYS C 3 71 ? 38.705 -24.146 13.908 1 86.917 ? 71 LYS C C 1 3 +ATOM 3854 O O . LYS C 3 71 ? 38.712 -25.321 13.568 1 86.286 ? 71 LYS C O 1 3 +ATOM 3855 C CB . LYS C 3 71 ? 38.779 -24.168 16.449 1 86.952 ? 71 LYS C CB 1 3 +ATOM 3856 C CG . LYS C 3 71 ? 40.166 -23.545 16.615 1 96.905 ? 71 LYS C CG 1 3 +ATOM 3857 C CD . LYS C 3 71 ? 40.454 -23.023 18.027 1 108.194 ? 71 LYS C CD 1 3 +ATOM 3858 C CE . LYS C 3 71 ? 39.706 -21.76 18.446 1 104.136 ? 71 LYS C CE 1 3 +ATOM 3859 N NZ . LYS C 3 71 ? 39.695 -21.599 19.904 1 102.49 ? 71 LYS C NZ 1 3 +ATOM 3860 N N . LEU C 3 72 ? 39.345 -23.198 13.195 1 99.309 ? 72 LEU C N 1 3 +ATOM 3861 C CA . LEU C 3 72 ? 40.009 -23.458 11.917 1 95.519 ? 72 LEU C CA 1 3 +ATOM 3862 C C . LEU C 3 72 ? 41.507 -23.69 12.125 1 94.185 ? 72 LEU C C 1 3 +ATOM 3863 O O . LEU C 3 72 ? 42.111 -23.043 12.974 1 85.812 ? 72 LEU C O 1 3 +ATOM 3864 C CB . LEU C 3 72 ? 39.779 -22.274 10.975 1 98.066 ? 72 LEU C CB 1 3 +ATOM 3865 C CG . LEU C 3 72 ? 40.442 -22.406 9.604 1 107.932 ? 72 LEU C CG 1 3 +ATOM 3866 C CD1 . LEU C 3 72 ? 39.875 -23.601 8.827 1 108.958 ? 72 LEU C CD1 1 3 +ATOM 3867 C CD2 . LEU C 3 72 ? 40.291 -21.128 8.814 1 116.894 ? 72 LEU C CD2 1 3 +ATOM 3868 N N . GLY C 3 73 ? 42.119 -24.569 11.313 1 102.672 ? 73 GLY C N 1 3 +ATOM 3869 C CA . GLY C 3 73 ? 43.532 -24.878 11.479 1 114.485 ? 73 GLY C CA 1 3 +ATOM 3870 C C . GLY C 3 73 ? 44.146 -25.605 10.285 1 113.972 ? 73 GLY C C 1 3 +ATOM 3871 O O . GLY C 3 73 ? 44.201 -26.845 10.256 1 117.44 ? 73 GLY C O 1 3 +ATOM 3872 N N . ASN C 3 74 ? 44.629 -24.789 9.334 1 108.725 ? 74 ASN C N 1 3 +ATOM 3873 C CA . ASN C 3 74 ? 45.405 -25.245 8.198 1 111.291 ? 74 ASN C CA 1 3 +ATOM 3874 C C . ASN C 3 74 ? 44.538 -26.197 7.373 1 101.402 ? 74 ASN C C 1 3 +ATOM 3875 O O . ASN C 3 74 ? 43.671 -25.727 6.64 1 100.921 ? 74 ASN C O 1 3 +ATOM 3876 C CB . ASN C 3 74 ? 46.778 -25.745 8.645 1 126.37 ? 74 ASN C CB 1 3 +ATOM 3877 C CG . ASN C 3 74 ? 47.717 -25.946 7.472 1 146.236 ? 74 ASN C CG 1 3 +ATOM 3878 O OD1 . ASN C 3 74 ? 47.498 -25.418 6.373 1 169.762 ? 74 ASN C OD1 1 3 +ATOM 3879 N ND2 . ASN C 3 74 ? 48.767 -26.723 7.687 1 161.502 ? 74 ASN C ND2 1 3 +ATOM 3880 N N . GLU C 3 75 ? 44.764 -27.518 7.509 1 111.861 ? 75 GLU C N 1 3 +ATOM 3881 C CA . GLU C 3 75 ? 44.068 -28.517 6.706 1 114.05 ? 75 GLU C CA 1 3 +ATOM 3882 C C . GLU C 3 75 ? 43.01 -29.238 7.555 1 95.872 ? 75 GLU C C 1 3 +ATOM 3883 O O . GLU C 3 75 ? 42.772 -30.433 7.398 1 89.67 ? 75 GLU C O 1 3 +ATOM 3884 C CB . GLU C 3 75 ? 45.076 -29.418 5.977 1 121.749 ? 75 GLU C CB 1 3 +ATOM 3885 C CG . GLU C 3 75 ? 46.256 -29.892 6.824 1 127.626 ? 75 GLU C CG 1 3 +ATOM 3886 C CD . GLU C 3 75 ? 47.229 -30.863 6.137 1 137.882 ? 75 GLU C CD 1 3 +ATOM 3887 O OE1 . GLU C 3 75 ? 47.551 -30.69 4.937 1 133.359 ? 75 GLU C OE1 1 3 +ATOM 3888 O OE2 . GLU C 3 75 ? 47.759 -31.774 6.825 1 138.483 ? 75 GLU C OE2 1 3 +ATOM 3889 N N . SER C 3 76 ? 42.317 -28.489 8.422 1 84.318 ? 76 SER C N 1 3 +ATOM 3890 C CA . SER C 3 76 ? 41.366 -29.091 9.343 1 78.083 ? 76 SER C CA 1 3 +ATOM 3891 C C . SER C 3 76 ? 40.364 -28.071 9.867 1 80.109 ? 76 SER C C 1 3 +ATOM 3892 O O . SER C 3 76 ? 40.621 -26.865 9.9 1 90.596 ? 76 SER C O 1 3 +ATOM 3893 C CB . SER C 3 76 ? 42.056 -29.741 10.504 1 75.505 ? 76 SER C CB 1 3 +ATOM 3894 O OG . SER C 3 76 ? 42.603 -28.763 11.377 1 77.363 ? 76 SER C OG 1 3 +ATOM 3895 N N . VAL C 3 77 ? 39.233 -28.62 10.31 1 80.572 ? 77 VAL C N 1 3 +ATOM 3896 C CA . VAL C 3 77 ? 38.208 -27.908 11.04 1 80.573 ? 77 VAL C CA 1 3 +ATOM 3897 C C . VAL C 3 77 ? 37.928 -28.72 12.298 1 82.576 ? 77 VAL C C 1 3 +ATOM 3898 O O . VAL C 3 77 ? 37.8 -29.934 12.218 1 99.01 ? 77 VAL C O 1 3 +ATOM 3899 C CB . VAL C 3 77 ? 36.948 -27.758 10.161 1 79.281 ? 77 VAL C CB 1 3 +ATOM 3900 C CG1 . VAL C 3 77 ? 35.711 -27.412 10.985 1 82.14 ? 77 VAL C CG1 1 3 +ATOM 3901 C CG2 . VAL C 3 77 ? 37.141 -26.704 9.083 1 84.582 ? 77 VAL C CG2 1 3 +ATOM 3902 N N . THR C 3 78 ? 37.788 -28.076 13.46 1 84.037 ? 78 THR C N 1 3 +ATOM 3903 C CA . THR C 3 78 ? 37.413 -28.803 14.669 1 81.559 ? 78 THR C CA 1 3 +ATOM 3904 C C . THR C 3 78 ? 36.017 -28.396 15.154 1 81.721 ? 78 THR C C 1 3 +ATOM 3905 O O . THR C 3 78 ? 35.711 -27.219 15.291 1 86.551 ? 78 THR C O 1 3 +ATOM 3906 C CB . THR C 3 78 ? 38.468 -28.583 15.747 1 76.926 ? 78 THR C CB 1 3 +ATOM 3907 O OG1 . THR C 3 78 ? 39.71 -28.926 15.137 1 78.292 ? 78 THR C OG1 1 3 +ATOM 3908 C CG2 . THR C 3 78 ? 38.195 -29.457 16.952 1 76.441 ? 78 THR C CG2 1 3 +ATOM 3909 N N . PHE C 3 79 ? 35.152 -29.39 15.392 1 84.356 ? 79 PHE C N 1 3 +ATOM 3910 C CA . PHE C 3 79 ? 33.818 -29.154 15.929 1 83.332 ? 79 PHE C CA 1 3 +ATOM 3911 C C . PHE C 3 79 ? 33.804 -29.461 17.423 1 76.979 ? 79 PHE C C 1 3 +ATOM 3912 O O . PHE C 3 79 ? 34.002 -30.605 17.821 1 72.042 ? 79 PHE C O 1 3 +ATOM 3913 C CB . PHE C 3 79 ? 32.801 -30.027 15.19 1 83.869 ? 79 PHE C CB 1 3 +ATOM 3914 C CG . PHE C 3 79 ? 32.753 -29.762 13.695 1 87.133 ? 79 PHE C CG 1 3 +ATOM 3915 C CD1 . PHE C 3 79 ? 31.919 -28.777 13.189 1 90.057 ? 79 PHE C CD1 1 3 +ATOM 3916 C CD2 . PHE C 3 79 ? 33.528 -30.494 12.808 1 90.005 ? 79 PHE C CD2 1 3 +ATOM 3917 C CE1 . PHE C 3 79 ? 31.85 -28.536 11.834 1 89.152 ? 79 PHE C CE1 1 3 +ATOM 3918 C CE2 . PHE C 3 79 ? 33.472 -30.236 11.454 1 98.03 ? 79 PHE C CE2 1 3 +ATOM 3919 C CZ . PHE C 3 79 ? 32.637 -29.258 10.976 1 100.362 ? 79 PHE C CZ 1 3 +ATOM 3920 N N . TYR C 3 80 ? 33.582 -28.427 18.238 1 81.287 ? 80 TYR C N 1 3 +ATOM 3921 C CA . TYR C 3 80 ? 33.512 -28.583 19.681 1 82.637 ? 80 TYR C CA 1 3 +ATOM 3922 C C . TYR C 3 80 ? 32.044 -28.725 20.096 1 79.876 ? 80 TYR C C 1 3 +ATOM 3923 O O . TYR C 3 80 ? 31.36 -27.726 20.288 1 67.428 ? 80 TYR C O 1 3 +ATOM 3924 C CB . TYR C 3 80 ? 34.221 -27.401 20.353 1 90.513 ? 80 TYR C CB 1 3 +ATOM 3925 C CG . TYR C 3 80 ? 34.245 -27.463 21.88 1 117.31 ? 80 TYR C CG 1 3 +ATOM 3926 C CD1 . TYR C 3 80 ? 34.019 -28.644 22.592 1 114.598 ? 80 TYR C CD1 1 3 +ATOM 3927 C CD2 . TYR C 3 80 ? 34.516 -26.321 22.626 1 134.757 ? 80 TYR C CD2 1 3 +ATOM 3928 C CE1 . TYR C 3 80 ? 34.062 -28.686 23.979 1 112.167 ? 80 TYR C CE1 1 3 +ATOM 3929 C CE2 . TYR C 3 80 ? 34.564 -26.351 24.013 1 130.895 ? 80 TYR C CE2 1 3 +ATOM 3930 C CZ . TYR C 3 80 ? 34.315 -27.531 24.693 1 119.106 ? 80 TYR C CZ 1 3 +ATOM 3931 O OH . TYR C 3 80 ? 34.383 -27.577 26.055 1 135.477 ? 80 TYR C OH 1 3 +ATOM 3932 N N . LEU C 3 81 ? 31.578 -29.97 20.292 1 83.086 ? 81 LEU C N 1 3 +ATOM 3933 C CA . LEU C 3 81 ? 30.211 -30.216 20.724 1 83.464 ? 81 LEU C CA 1 3 +ATOM 3934 C C . LEU C 3 81 ? 30.124 -30.243 22.246 1 80.096 ? 81 LEU C C 1 3 +ATOM 3935 O O . LEU C 3 81 ? 30.741 -31.073 22.881 1 83.394 ? 81 LEU C O 1 3 +ATOM 3936 C CB . LEU C 3 81 ? 29.696 -31.54 20.175 1 89.217 ? 81 LEU C CB 1 3 +ATOM 3937 C CG . LEU C 3 81 ? 29.878 -31.776 18.679 1 95.614 ? 81 LEU C CG 1 3 +ATOM 3938 C CD1 . LEU C 3 81 ? 29.404 -33.18 18.349 1 98.021 ? 81 LEU C CD1 1 3 +ATOM 3939 C CD2 . LEU C 3 81 ? 29.133 -30.717 17.906 1 97.046 ? 81 LEU C CD2 1 3 +ATOM 3940 N N . GLN C 3 82 ? 29.274 -29.383 22.809 1 81.409 ? 82 GLN C N 1 3 +ATOM 3941 C CA . GLN C 3 82 ? 29.007 -29.307 24.241 1 89.04 ? 82 GLN C CA 1 3 +ATOM 3942 C C . GLN C 3 82 ? 27.558 -29.702 24.538 1 87.318 ? 82 GLN C C 1 3 +ATOM 3943 O O . GLN C 3 82 ? 26.786 -29.897 23.612 1 86.226 ? 82 GLN C O 1 3 +ATOM 3944 C CB . GLN C 3 82 ? 29.253 -27.899 24.779 1 103.595 ? 82 GLN C CB 1 3 +ATOM 3945 C CG . GLN C 3 82 ? 30.687 -27.413 24.581 1 107.313 ? 82 GLN C CG 1 3 +ATOM 3946 C CD . GLN C 3 82 ? 30.896 -25.991 25.041 1 113.089 ? 82 GLN C CD 1 3 +ATOM 3947 O OE1 . GLN C 3 82 ? 31.097 -25.752 26.235 1 104.898 ? 82 GLN C OE1 1 3 +ATOM 3948 N NE2 . GLN C 3 82 ? 30.846 -25.05 24.1 1 117.745 ? 82 GLN C NE2 1 3 +ATOM 3949 N N . ASN C 3 83 ? 27.247 -29.949 25.825 1 92.818 ? 83 ASN C N 1 3 +ATOM 3950 C CA . ASN C 3 83 ? 25.92 -30.326 26.305 1 94.975 ? 83 ASN C CA 1 3 +ATOM 3951 C C . ASN C 3 83 ? 25.286 -31.457 25.476 1 99.792 ? 83 ASN C C 1 3 +ATOM 3952 O O . ASN C 3 83 ? 24.065 -31.488 25.298 1 122.125 ? 83 ASN C O 1 3 +ATOM 3953 C CB . ASN C 3 83 ? 25.028 -29.09 26.41 1 99.366 ? 83 ASN C CB 1 3 +ATOM 3954 C CG . ASN C 3 83 ? 25.45 -28.16 27.529 1 119.102 ? 83 ASN C CG 1 3 +ATOM 3955 O OD1 . ASN C 3 83 ? 25.826 -27.007 27.294 1 126.445 ? 83 ASN C OD1 1 3 +ATOM 3956 N ND2 . ASN C 3 83 ? 25.368 -28.613 28.769 1 127.539 ? 83 ASN C ND2 1 3 +ATOM 3957 N N . LEU C 3 84 ? 26.096 -32.413 24.985 1 90.196 ? 84 LEU C N 1 3 +ATOM 3958 C CA . LEU C 3 84 ? 25.584 -33.58 24.274 1 82.68 ? 84 LEU C CA 1 3 +ATOM 3959 C C . LEU C 3 84 ? 24.754 -34.431 25.237 1 87.082 ? 84 LEU C C 1 3 +ATOM 3960 O O . LEU C 3 84 ? 25.121 -34.599 26.401 1 83.094 ? 84 LEU C O 1 3 +ATOM 3961 C CB . LEU C 3 84 ? 26.735 -34.41 23.707 1 80.201 ? 84 LEU C CB 1 3 +ATOM 3962 C CG . LEU C 3 84 ? 27.326 -34 22.355 1 85.491 ? 84 LEU C CG 1 3 +ATOM 3963 C CD1 . LEU C 3 84 ? 28.649 -34.707 22.146 1 84.677 ? 84 LEU C CD1 1 3 +ATOM 3964 C CD2 . LEU C 3 84 ? 26.396 -34.312 21.195 1 88.313 ? 84 LEU C CD2 1 3 +ATOM 3965 N N . TYR C 3 85 ? 23.659 -35.014 24.738 1 89.8 ? 85 TYR C N 1 3 +ATOM 3966 C CA . TYR C 3 85 ? 22.903 -35.997 25.506 1 94.905 ? 85 TYR C CA 1 3 +ATOM 3967 C C . TYR C 3 85 ? 23.477 -37.407 25.296 1 91.143 ? 85 TYR C C 1 3 +ATOM 3968 O O . TYR C 3 85 ? 24.079 -37.741 24.281 1 78.855 ? 85 TYR C O 1 3 +ATOM 3969 C CB . TYR C 3 85 ? 21.423 -35.947 25.12 1 100.467 ? 85 TYR C CB 1 3 +ATOM 3970 C CG . TYR C 3 85 ? 20.736 -34.606 25.313 1 100.776 ? 85 TYR C CG 1 3 +ATOM 3971 C CD1 . TYR C 3 85 ? 20.581 -34.069 26.577 1 105.811 ? 85 TYR C CD1 1 3 +ATOM 3972 C CD2 . TYR C 3 85 ? 20.183 -33.909 24.243 1 107.706 ? 85 TYR C CD2 1 3 +ATOM 3973 C CE1 . TYR C 3 85 ? 19.92 -32.867 26.772 1 120.545 ? 85 TYR C CE1 1 3 +ATOM 3974 C CE2 . TYR C 3 85 ? 19.53 -32.703 24.416 1 118.708 ? 85 TYR C CE2 1 3 +ATOM 3975 C CZ . TYR C 3 85 ? 19.39 -32.182 25.689 1 128.918 ? 85 TYR C CZ 1 3 +ATOM 3976 O OH . TYR C 3 85 ? 18.736 -30.992 25.848 1 135.751 ? 85 TYR C OH 1 3 +ATOM 3977 N N . VAL C 3 86 ? 23.249 -38.278 26.275 1 101.052 ? 86 VAL C N 1 3 +ATOM 3978 C CA . VAL C 3 86 ? 23.737 -39.645 26.194 1 94.593 ? 86 VAL C CA 1 3 +ATOM 3979 C C . VAL C 3 86 ? 23.064 -40.351 25.012 1 90.805 ? 86 VAL C C 1 3 +ATOM 3980 O O . VAL C 3 86 ? 23.659 -41.241 24.41 1 79.327 ? 86 VAL C O 1 3 +ATOM 3981 C CB . VAL C 3 86 ? 23.489 -40.364 27.532 1 98.133 ? 86 VAL C CB 1 3 +ATOM 3982 C CG1 . VAL C 3 86 ? 22.025 -40.245 27.973 1 105.005 ? 86 VAL C CG1 1 3 +ATOM 3983 C CG2 . VAL C 3 86 ? 23.936 -41.822 27.488 1 108.019 ? 86 VAL C CG2 1 3 +ATOM 3984 N N . ASN C 3 87 ? 21.818 -39.943 24.692 1 93.168 ? 87 ASN C N 1 3 +ATOM 3985 C CA . ASN C 3 87 ? 21.015 -40.508 23.609 1 87.23 ? 87 ASN C CA 1 3 +ATOM 3986 C C . ASN C 3 87 ? 21.542 -40.051 22.236 1 85.231 ? 87 ASN C C 1 3 +ATOM 3987 O O . ASN C 3 87 ? 20.993 -40.401 21.2 1 90.712 ? 87 ASN C O 1 3 +ATOM 3988 C CB . ASN C 3 87 ? 19.537 -40.198 23.866 1 83.632 ? 87 ASN C CB 1 3 +ATOM 3989 C CG . ASN C 3 87 ? 19.253 -38.731 23.692 1 90.747 ? 87 ASN C CG 1 3 +ATOM 3990 O OD1 . ASN C 3 87 ? 20.131 -37.992 23.23 1 95.969 ? 87 ASN C OD1 1 3 +ATOM 3991 N ND2 . ASN C 3 87 ? 18.059 -38.26 24.004 1 104.3 ? 87 ASN C ND2 1 3 +ATOM 3992 N N . GLN C 3 88 ? 22.616 -39.257 22.213 1 80.863 ? 88 GLN C N 1 3 +ATOM 3993 C CA . GLN C 3 88 ? 23.192 -38.769 20.971 1 78.428 ? 88 GLN C CA 1 3 +ATOM 3994 C C . GLN C 3 88 ? 24.406 -39.602 20.545 1 77.33 ? 88 GLN C C 1 3 +ATOM 3995 O O . GLN C 3 88 ? 25.124 -39.223 19.618 1 76.97 ? 88 GLN C O 1 3 +ATOM 3996 C CB . GLN C 3 88 ? 23.533 -37.293 21.157 1 79.181 ? 88 GLN C CB 1 3 +ATOM 3997 C CG . GLN C 3 88 ? 22.591 -36.343 20.433 1 87.81 ? 88 GLN C CG 1 3 +ATOM 3998 C CD . GLN C 3 88 ? 22.217 -35.108 21.237 1 93.907 ? 88 GLN C CD 1 3 +ATOM 3999 O OE1 . GLN C 3 88 ? 23.039 -34.434 21.863 1 97.746 ? 88 GLN C OE1 1 3 +ATOM 4000 N NE2 . GLN C 3 88 ? 20.942 -34.767 21.207 1 96.91 ? 88 GLN C NE2 1 3 +ATOM 4001 N N . THR C 3 89 ? 24.643 -40.732 21.218 1 75.446 ? 89 THR C N 1 3 +ATOM 4002 C CA . THR C 3 89 ? 25.743 -41.625 20.874 1 73.696 ? 89 THR C CA 1 3 +ATOM 4003 C C . THR C 3 89 ? 25.49 -42.186 19.48 1 69.881 ? 89 THR C C 1 3 +ATOM 4004 O O . THR C 3 89 ? 24.465 -42.805 19.252 1 75.147 ? 89 THR C O 1 3 +ATOM 4005 C CB . THR C 3 89 ? 25.811 -42.725 21.936 1 73.946 ? 89 THR C CB 1 3 +ATOM 4006 O OG1 . THR C 3 89 ? 26.105 -42.102 23.184 1 75.986 ? 89 THR C OG1 1 3 +ATOM 4007 C CG2 . THR C 3 89 ? 26.855 -43.777 21.628 1 74.512 ? 89 THR C CG2 1 3 +ATOM 4008 N N . ASP C 3 90 ? 26.379 -41.913 18.527 1 71.932 ? 90 ASP C N 1 3 +ATOM 4009 C CA . ASP C 3 90 ? 26.075 -42.195 17.123 1 81.331 ? 90 ASP C CA 1 3 +ATOM 4010 C C . ASP C 3 90 ? 27.351 -42.068 16.283 1 75.531 ? 90 ASP C C 1 3 +ATOM 4011 O O . ASP C 3 90 ? 28.439 -41.805 16.808 1 74.225 ? 90 ASP C O 1 3 +ATOM 4012 C CB . ASP C 3 90 ? 24.937 -41.315 16.583 1 79.846 ? 90 ASP C CB 1 3 +ATOM 4013 C CG . ASP C 3 90 ? 23.981 -41.948 15.576 1 77.331 ? 90 ASP C CG 1 3 +ATOM 4014 O OD1 . ASP C 3 90 ? 24.446 -42.588 14.631 1 82.844 ? 90 ASP C OD1 1 3 +ATOM 4015 O OD2 . ASP C 3 90 ? 22.761 -41.794 15.735 1 84.853 ? 90 ASP C OD2 1 3 +ATOM 4016 N N . ILE C 3 91 ? 27.186 -42.286 14.974 1 68.446 ? 91 ILE C N 1 3 +ATOM 4017 C CA . ILE C 3 91 ? 28.239 -42.035 14.016 1 72.263 ? 91 ILE C CA 1 3 +ATOM 4018 C C . ILE C 3 91 ? 28.069 -40.622 13.48 1 76.458 ? 91 ILE C C 1 3 +ATOM 4019 O O . ILE C 3 91 ? 26.946 -40.22 13.159 1 75.229 ? 91 ILE C O 1 3 +ATOM 4020 C CB . ILE C 3 91 ? 28.215 -43.087 12.895 1 70.199 ? 91 ILE C CB 1 3 +ATOM 4021 C CG1 . ILE C 3 91 ? 29.446 -42.938 12 1 70.207 ? 91 ILE C CG1 1 3 +ATOM 4022 C CG2 . ILE C 3 91 ? 26.914 -43.09 12.089 1 62.483 ? 91 ILE C CG2 1 3 +ATOM 4023 C CD1 . ILE C 3 91 ? 29.672 -44.159 11.151 1 69.785 ? 91 ILE C CD1 1 3 +ATOM 4024 N N . TYR C 3 92 ? 29.19 -39.884 13.405 1 71.691 ? 92 TYR C N 1 3 +ATOM 4025 C CA . TYR C 3 92 ? 29.168 -38.512 12.919 1 72.056 ? 92 TYR C CA 1 3 +ATOM 4026 C C . TYR C 3 92 ? 30.11 -38.415 11.729 1 78.237 ? 92 TYR C C 1 3 +ATOM 4027 O O . TYR C 3 92 ? 31.171 -39.009 11.745 1 87.683 ? 92 TYR C O 1 3 +ATOM 4028 C CB . TYR C 3 92 ? 29.568 -37.516 14.012 1 62.245 ? 92 TYR C CB 1 3 +ATOM 4029 C CG . TYR C 3 92 ? 28.531 -37.397 15.118 1 60.223 ? 92 TYR C CG 1 3 +ATOM 4030 C CD1 . TYR C 3 92 ? 28.338 -38.421 16.031 1 68.067 ? 92 TYR C CD1 1 3 +ATOM 4031 C CD2 . TYR C 3 92 ? 27.728 -36.288 15.246 1 59.577 ? 92 TYR C CD2 1 3 +ATOM 4032 C CE1 . TYR C 3 92 ? 27.391 -38.345 17.04 1 65.778 ? 92 TYR C CE1 1 3 +ATOM 4033 C CE2 . TYR C 3 92 ? 26.779 -36.2 16.248 1 61.498 ? 92 TYR C CE2 1 3 +ATOM 4034 C CZ . TYR C 3 92 ? 26.598 -37.237 17.139 1 62.656 ? 92 TYR C CZ 1 3 +ATOM 4035 O OH . TYR C 3 92 ? 25.713 -37.207 18.161 1 75.957 ? 92 TYR C OH 1 3 +ATOM 4036 N N . PHE C 3 93 ? 29.723 -37.656 10.707 1 81.404 ? 93 PHE C N 1 3 +ATOM 4037 C CA . PHE C 3 93 ? 30.498 -37.571 9.49 1 74.146 ? 93 PHE C CA 1 3 +ATOM 4038 C C . PHE C 3 93 ? 30.836 -36.123 9.161 1 72.023 ? 93 PHE C C 1 3 +ATOM 4039 O O . PHE C 3 93 ? 29.958 -35.263 9.119 1 57.38 ? 93 PHE C O 1 3 +ATOM 4040 C CB . PHE C 3 93 ? 29.687 -38.097 8.31 1 82.984 ? 93 PHE C CB 1 3 +ATOM 4041 C CG . PHE C 3 93 ? 29.358 -39.575 8.379 1 82.729 ? 93 PHE C CG 1 3 +ATOM 4042 C CD1 . PHE C 3 93 ? 30.274 -40.539 7.975 1 81.624 ? 93 PHE C CD1 1 3 +ATOM 4043 C CD2 . PHE C 3 93 ? 28.106 -39.98 8.795 1 82.469 ? 93 PHE C CD2 1 3 +ATOM 4044 C CE1 . PHE C 3 93 ? 29.952 -41.877 8.034 1 80.065 ? 93 PHE C CE1 1 3 +ATOM 4045 C CE2 . PHE C 3 93 ? 27.78 -41.322 8.815 1 87.178 ? 93 PHE C CE2 1 3 +ATOM 4046 C CZ . PHE C 3 93 ? 28.707 -42.265 8.458 1 87.523 ? 93 PHE C CZ 1 3 +ATOM 4047 N N . CYS C 3 94 ? 32.108 -35.907 8.822 1 80.672 ? 94 CYS C N 1 3 +ATOM 4048 C CA . CYS C 3 94 ? 32.591 -34.618 8.369 1 80.488 ? 94 CYS C CA 1 3 +ATOM 4049 C C . CYS C 3 94 ? 32.356 -34.489 6.875 1 85.373 ? 94 CYS C C 1 3 +ATOM 4050 O O . CYS C 3 94 ? 32.682 -35.401 6.126 1 88.097 ? 94 CYS C O 1 3 +ATOM 4051 C CB . CYS C 3 94 ? 34.087 -34.465 8.581 1 80.674 ? 94 CYS C CB 1 3 +ATOM 4052 S SG . CYS C 3 94 ? 34.6 -34.697 10.298 1 100.506 ? 94 CYS C SG 1 3 +ATOM 4053 N N . LYS C 3 95 ? 31.862 -33.312 6.48 1 94.086 ? 95 LYS C N 1 3 +ATOM 4054 C CA . LYS C 3 95 ? 31.617 -32.955 5.099 1 87.908 ? 95 LYS C CA 1 3 +ATOM 4055 C C . LYS C 3 95 ? 32.292 -31.598 4.835 1 88.363 ? 95 LYS C C 1 3 +ATOM 4056 O O . LYS C 3 95 ? 32.4 -30.784 5.734 1 78.471 ? 95 LYS C O 1 3 +ATOM 4057 C CB . LYS C 3 95 ? 30.091 -33.006 4.963 1 86.842 ? 95 LYS C CB 1 3 +ATOM 4058 C CG . LYS C 3 95 ? 29.57 -32.937 3.521 1 108.75 ? 95 LYS C CG 1 3 +ATOM 4059 C CD . LYS C 3 95 ? 28.476 -31.901 3.197 1 120.143 ? 95 LYS C CD 1 3 +ATOM 4060 C CE . LYS C 3 95 ? 28.959 -30.454 3.149 1 111.176 ? 95 LYS C CE 1 3 +ATOM 4061 N NZ . LYS C 3 95 ? 27.93 -29.464 2.834 1 104.744 ? 95 LYS C NZ 1 3 +ATOM 4062 N N . ILE C 3 96 ? 32.743 -31.341 3.602 1 91.457 ? 96 ILE C N 1 3 +ATOM 4063 C CA . ILE C 3 96 ? 33.428 -30.097 3.251 1 89.066 ? 96 ILE C CA 1 3 +ATOM 4064 C C . ILE C 3 96 ? 33.121 -29.74 1.798 1 79.979 ? 96 ILE C C 1 3 +ATOM 4065 O O . ILE C 3 96 ? 33.064 -30.643 0.957 1 77.67 ? 96 ILE C O 1 3 +ATOM 4066 C CB . ILE C 3 96 ? 34.958 -30.202 3.483 1 101.478 ? 96 ILE C CB 1 3 +ATOM 4067 C CG1 . ILE C 3 96 ? 35.741 -28.936 3.127 1 90 ? 96 ILE C CG1 1 3 +ATOM 4068 C CG2 . ILE C 3 96 ? 35.611 -31.369 2.747 1 108.125 ? 96 ILE C CG2 1 3 +ATOM 4069 C CD1 . ILE C 3 96 ? 35.462 -27.756 4.018 1 83.212 ? 96 ILE C CD1 1 3 +ATOM 4070 N N . GLU C 3 97 ? 32.994 -28.425 1.502 1 72.872 ? 97 GLU C N 1 3 +ATOM 4071 C CA . GLU C 3 97 ? 33.112 -27.912 0.135 1 74.136 ? 97 GLU C CA 1 3 +ATOM 4072 C C . GLU C 3 97 ? 33.991 -26.66 0.076 1 70.066 ? 97 GLU C C 1 3 +ATOM 4073 O O . GLU C 3 97 ? 33.85 -25.781 0.896 1 74.272 ? 97 GLU C O 1 3 +ATOM 4074 C CB . GLU C 3 97 ? 31.779 -27.711 -0.592 1 70.026 ? 97 GLU C CB 1 3 +ATOM 4075 C CG . GLU C 3 97 ? 30.719 -26.987 0.211 1 76.854 ? 97 GLU C CG 1 3 +ATOM 4076 C CD . GLU C 3 97 ? 29.436 -26.818 -0.583 1 90.547 ? 97 GLU C CD 1 3 +ATOM 4077 O OE1 . GLU C 3 97 ? 28.846 -25.715 -0.477 1 119.134 ? 97 GLU C OE1 1 3 +ATOM 4078 O OE2 . GLU C 3 97 ? 29.017 -27.77 -1.281 1 76.751 ? 97 GLU C OE2 1 3 +ATOM 4079 N N . VAL C 3 98 ? 34.887 -26.578 -0.909 1 72.024 ? 98 VAL C N 1 3 +ATOM 4080 C CA . VAL C 3 98 ? 35.661 -25.378 -1.168 1 82.023 ? 98 VAL C CA 1 3 +ATOM 4081 C C . VAL C 3 98 ? 35.123 -24.679 -2.423 1 83.238 ? 98 VAL C C 1 3 +ATOM 4082 O O . VAL C 3 98 ? 34.869 -25.318 -3.434 1 89.832 ? 98 VAL C O 1 3 +ATOM 4083 C CB . VAL C 3 98 ? 37.136 -25.807 -1.325 1 93.605 ? 98 VAL C CB 1 3 +ATOM 4084 C CG1 . VAL C 3 98 ? 37.978 -24.723 -1.986 1 102.937 ? 98 VAL C CG1 1 3 +ATOM 4085 C CG2 . VAL C 3 98 ? 37.753 -26.25 -0.006 1 92.007 ? 98 VAL C CG2 1 3 +ATOM 4086 N N . MET C 3 99 ? 34.993 -23.347 -2.404 1 80.988 ? 99 MET C N 1 3 +ATOM 4087 C CA . MET C 3 99 ? 34.494 -22.616 -3.559 1 77.946 ? 99 MET C CA 1 3 +ATOM 4088 C C . MET C 3 99 ? 35.562 -21.703 -4.163 1 86.277 ? 99 MET C C 1 3 +ATOM 4089 O O . MET C 3 99 ? 35.641 -21.55 -5.386 1 97.404 ? 99 MET C O 1 3 +ATOM 4090 C CB . MET C 3 99 ? 33.282 -21.775 -3.156 1 79.562 ? 99 MET C CB 1 3 +ATOM 4091 C CG . MET C 3 99 ? 31.951 -22.519 -3.253 1 81.458 ? 99 MET C CG 1 3 +ATOM 4092 S SD . MET C 3 99 ? 31.388 -22.778 -4.946 1 79.745 ? 99 MET C SD 1 3 +ATOM 4093 C CE . MET C 3 99 ? 31.423 -21.097 -5.588 1 84.053 ? 99 MET C CE 1 3 +ATOM 4094 N N . TYR C 3 100 ? 36.357 -21.056 -3.303 1 88.016 ? 100 TYR C N 1 3 +ATOM 4095 C CA . TYR C 3 100 ? 37.384 -20.129 -3.746 1 87.981 ? 100 TYR C CA 1 3 +ATOM 4096 C C . TYR C 3 100 ? 38.619 -20.29 -2.869 1 86.924 ? 100 TYR C C 1 3 +ATOM 4097 O O . TYR C 3 100 ? 38.486 -20.431 -1.656 1 91.648 ? 100 TYR C O 1 3 +ATOM 4098 C CB . TYR C 3 100 ? 36.94 -18.669 -3.606 1 86.099 ? 100 TYR C CB 1 3 +ATOM 4099 C CG . TYR C 3 100 ? 35.753 -18.233 -4.448 1 84.426 ? 100 TYR C CG 1 3 +ATOM 4100 C CD1 . TYR C 3 100 ? 35.921 -17.737 -5.731 1 86.035 ? 100 TYR C CD1 1 3 +ATOM 4101 C CD2 . TYR C 3 100 ? 34.463 -18.292 -3.94 1 88.004 ? 100 TYR C CD2 1 3 +ATOM 4102 C CE1 . TYR C 3 100 ? 34.833 -17.322 -6.487 1 94.11 ? 100 TYR C CE1 1 3 +ATOM 4103 C CE2 . TYR C 3 100 ? 33.364 -17.884 -4.687 1 90.788 ? 100 TYR C CE2 1 3 +ATOM 4104 C CZ . TYR C 3 100 ? 33.55 -17.377 -5.959 1 91.241 ? 100 TYR C CZ 1 3 +ATOM 4105 O OH . TYR C 3 100 ? 32.452 -16.976 -6.669 1 88.683 ? 100 TYR C OH 1 3 +ATOM 4106 N N . PRO C 3 101 ? 39.846 -20.196 -3.43 1 93.235 ? 101 PRO C N 1 3 +ATOM 4107 C CA . PRO C 3 101 ? 40.057 -20.092 -4.876 1 100.657 ? 101 PRO C CA 1 3 +ATOM 4108 C C . PRO C 3 101 ? 39.746 -21.411 -5.589 1 93.891 ? 101 PRO C C 1 3 +ATOM 4109 O O . PRO C 3 101 ? 39.833 -22.478 -4.988 1 95.438 ? 101 PRO C O 1 3 +ATOM 4110 C CB . PRO C 3 101 ? 41.533 -19.642 -4.991 1 103.647 ? 101 PRO C CB 1 3 +ATOM 4111 C CG . PRO C 3 101 ? 41.86 -19.145 -3.595 1 102.612 ? 101 PRO C CG 1 3 +ATOM 4112 C CD . PRO C 3 101 ? 41.108 -20.106 -2.686 1 98.344 ? 101 PRO C CD 1 3 +ATOM 4113 N N . PRO C 3 102 ? 39.328 -21.363 -6.872 1 83.13 ? 102 PRO C N 1 3 +ATOM 4114 C CA . PRO C 3 102 ? 38.915 -22.557 -7.598 1 82.496 ? 102 PRO C CA 1 3 +ATOM 4115 C C . PRO C 3 102 ? 40.004 -23.62 -7.699 1 88.347 ? 102 PRO C C 1 3 +ATOM 4116 O O . PRO C 3 102 ? 41.197 -23.314 -7.603 1 88.237 ? 102 PRO C O 1 3 +ATOM 4117 C CB . PRO C 3 102 ? 38.526 -22.028 -8.991 1 84.4 ? 102 PRO C CB 1 3 +ATOM 4118 C CG . PRO C 3 102 ? 38.266 -20.561 -8.8 1 82.169 ? 102 PRO C CG 1 3 +ATOM 4119 C CD . PRO C 3 102 ? 39.198 -20.148 -7.687 1 84.08 ? 102 PRO C CD 1 3 +ATOM 4120 N N . PRO C 3 103 ? 39.619 -24.88 -7.999 1 89.343 ? 103 PRO C N 1 3 +ATOM 4121 C CA . PRO C 3 103 ? 38.217 -25.227 -8.247 1 85.613 ? 103 PRO C CA 1 3 +ATOM 4122 C C . PRO C 3 103 ? 37.305 -25.54 -7.056 1 83.479 ? 103 PRO C C 1 3 +ATOM 4123 O O . PRO C 3 103 ? 37.761 -25.63 -5.909 1 81.098 ? 103 PRO C O 1 3 +ATOM 4124 C CB . PRO C 3 103 ? 38.42 -26.446 -9.168 1 88.297 ? 103 PRO C CB 1 3 +ATOM 4125 C CG . PRO C 3 103 ? 39.635 -27.136 -8.628 1 88.135 ? 103 PRO C CG 1 3 +ATOM 4126 C CD . PRO C 3 103 ? 40.534 -26.007 -8.206 1 90.015 ? 103 PRO C CD 1 3 +ATOM 4127 N N . TYR C 3 104 ? 35.998 -25.623 -7.376 1 76.905 ? 104 TYR C N 1 3 +ATOM 4128 C CA . TYR C 3 104 ? 34.957 -26.141 -6.502 1 71.936 ? 104 TYR C CA 1 3 +ATOM 4129 C C . TYR C 3 104 ? 35.223 -27.618 -6.262 1 72.074 ? 104 TYR C C 1 3 +ATOM 4130 O O . TYR C 3 104 ? 35.344 -28.369 -7.22 1 78.761 ? 104 TYR C O 1 3 +ATOM 4131 C CB . TYR C 3 104 ? 33.55 -26.05 -7.11 1 75.997 ? 104 TYR C CB 1 3 +ATOM 4132 C CG . TYR C 3 104 ? 32.507 -26.895 -6.376 1 82.83 ? 104 TYR C CG 1 3 +ATOM 4133 C CD1 . TYR C 3 104 ? 32.103 -26.57 -5.087 1 88.106 ? 104 TYR C CD1 1 3 +ATOM 4134 C CD2 . TYR C 3 104 ? 31.937 -28.033 -6.946 1 83.936 ? 104 TYR C CD2 1 3 +ATOM 4135 C CE1 . TYR C 3 104 ? 31.181 -27.339 -4.395 1 80.026 ? 104 TYR C CE1 1 3 +ATOM 4136 C CE2 . TYR C 3 104 ? 30.994 -28.798 -6.267 1 79.477 ? 104 TYR C CE2 1 3 +ATOM 4137 C CZ . TYR C 3 104 ? 30.613 -28.443 -4.989 1 73.64 ? 104 TYR C CZ 1 3 +ATOM 4138 O OH . TYR C 3 104 ? 29.71 -29.115 -4.239 1 71.739 ? 104 TYR C OH 1 3 +ATOM 4139 N N . LEU C 3 105 ? 35.32 -28.026 -4.992 1 72.698 ? 105 LEU C N 1 3 +ATOM 4140 C CA . LEU C 3 105 ? 35.56 -29.419 -4.624 1 77.01 ? 105 LEU C CA 1 3 +ATOM 4141 C C . LEU C 3 105 ? 34.674 -29.793 -3.444 1 75.796 ? 105 LEU C C 1 3 +ATOM 4142 O O . LEU C 3 105 ? 34.353 -28.948 -2.63 1 80.371 ? 105 LEU C O 1 3 +ATOM 4143 C CB . LEU C 3 105 ? 37.017 -29.652 -4.21 1 79.938 ? 105 LEU C CB 1 3 +ATOM 4144 C CG . LEU C 3 105 ? 38.109 -29.416 -5.256 1 79.405 ? 105 LEU C CG 1 3 +ATOM 4145 C CD1 . LEU C 3 105 ? 39.392 -29.441 -4.466 1 84.479 ? 105 LEU C CD1 1 3 +ATOM 4146 C CD2 . LEU C 3 105 ? 38.107 -30.435 -6.392 1 83.375 ? 105 LEU C CD2 1 3 +ATOM 4147 N N . ASP C 3 106 ? 34.343 -31.082 -3.32 1 83.324 ? 106 ASP C N 1 3 +ATOM 4148 C CA . ASP C 3 106 ? 33.639 -31.654 -2.175 1 76.435 ? 106 ASP C CA 1 3 +ATOM 4149 C C . ASP C 3 106 ? 34.472 -32.855 -1.717 1 83.487 ? 106 ASP C C 1 3 +ATOM 4150 O O . ASP C 3 106 ? 35.423 -33.268 -2.39 1 81.281 ? 106 ASP C O 1 3 +ATOM 4151 C CB . ASP C 3 106 ? 32.169 -31.926 -2.5 1 77.655 ? 106 ASP C CB 1 3 +ATOM 4152 C CG . ASP C 3 106 ? 31.883 -33.033 -3.513 1 99.041 ? 106 ASP C CG 1 3 +ATOM 4153 O OD1 . ASP C 3 106 ? 32.64 -33.201 -4.487 1 129.873 ? 106 ASP C OD1 1 3 +ATOM 4154 O OD2 . ASP C 3 106 ? 30.858 -33.725 -3.379 1 106.997 ? 106 ASP C OD2 1 3 +ATOM 4155 N N . ASN C 3 107 ? 34.1 -33.447 -0.58 1 86.683 ? 107 ASN C N 1 3 +ATOM 4156 C CA . ASN C 3 107 ? 34.888 -34.519 0.011 1 87.046 ? 107 ASN C CA 1 3 +ATOM 4157 C C . ASN C 3 107 ? 34.383 -35.912 -0.382 1 87.322 ? 107 ASN C C 1 3 +ATOM 4158 O O . ASN C 3 107 ? 33.207 -36.114 -0.632 1 84.282 ? 107 ASN C O 1 3 +ATOM 4159 C CB . ASN C 3 107 ? 34.871 -34.399 1.524 1 94.174 ? 107 ASN C CB 1 3 +ATOM 4160 C CG . ASN C 3 107 ? 33.496 -34.612 2.117 1 104.624 ? 107 ASN C CG 1 3 +ATOM 4161 O OD1 . ASN C 3 107 ? 32.616 -33.742 2.061 1 105.195 ? 107 ASN C OD1 1 3 +ATOM 4162 N ND2 . ASN C 3 107 ? 33.301 -35.77 2.722 1 125.144 ? 107 ASN C ND2 1 3 +ATOM 4163 N N . GLU C 3 108 ? 35.301 -36.885 -0.417 1 97.131 ? 108 GLU C N 1 3 +ATOM 4164 C CA . GLU C 3 108 ? 34.983 -38.293 -0.625 1 109.606 ? 108 GLU C CA 1 3 +ATOM 4165 C C . GLU C 3 108 ? 34.541 -38.857 0.725 1 100.545 ? 108 GLU C C 1 3 +ATOM 4166 O O . GLU C 3 108 ? 35.269 -38.759 1.71 1 108.075 ? 108 GLU C O 1 3 +ATOM 4167 C CB . GLU C 3 108 ? 36.177 -39.03 -1.256 1 127.988 ? 108 GLU C CB 1 3 +ATOM 4168 C CG . GLU C 3 108 ? 35.929 -40.476 -1.71 1 131.924 ? 108 GLU C CG 1 3 +ATOM 4169 C CD . GLU C 3 108 ? 36.714 -40.922 -2.955 1 140.169 ? 108 GLU C CD 1 3 +ATOM 4170 O OE1 . GLU C 3 108 ? 37.061 -40.024 -3.776 1 145.773 ? 108 GLU C OE1 1 3 +ATOM 4171 O OE2 . GLU C 3 108 ? 37.004 -42.14 -3.131 1 128.313 ? 108 GLU C OE2 1 3 +ATOM 4172 N N . LYS C 3 109 ? 33.34 -39.435 0.737 1 89.879 ? 109 LYS C N 1 3 +ATOM 4173 C CA . LYS C 3 109 ? 32.698 -39.992 1.922 1 95.629 ? 109 LYS C CA 1 3 +ATOM 4174 C C . LYS C 3 109 ? 33.69 -40.525 2.968 1 99.854 ? 109 LYS C C 1 3 +ATOM 4175 O O . LYS C 3 109 ? 34.381 -41.512 2.72 1 116.767 ? 109 LYS C O 1 3 +ATOM 4176 C CB . LYS C 3 109 ? 31.749 -41.089 1.421 1 100.057 ? 109 LYS C CB 1 3 +ATOM 4177 C CG . LYS C 3 109 ? 30.936 -41.81 2.485 1 104.264 ? 109 LYS C CG 1 3 +ATOM 4178 C CD . LYS C 3 109 ? 29.87 -40.925 3.109 1 111.609 ? 109 LYS C CD 1 3 +ATOM 4179 C CE . LYS C 3 109 ? 29.105 -41.602 4.204 1 116.433 ? 109 LYS C CE 1 3 +ATOM 4180 N NZ . LYS C 3 109 ? 28.738 -42.972 3.827 1 121.309 ? 109 LYS C NZ 1 3 +ATOM 4181 N N . SER C 3 110 ? 33.731 -39.905 4.164 1 92.605 ? 110 SER C N 1 3 +ATOM 4182 C CA . SER C 3 110 ? 34.619 -40.364 5.232 1 83.374 ? 110 SER C CA 1 3 +ATOM 4183 C C . SER C 3 110 ? 34.017 -41.577 5.935 1 79.96 ? 110 SER C C 1 3 +ATOM 4184 O O . SER C 3 110 ? 32.831 -41.86 5.817 1 71.114 ? 110 SER C O 1 3 +ATOM 4185 C CB . SER C 3 110 ? 34.917 -39.308 6.256 1 82.839 ? 110 SER C CB 1 3 +ATOM 4186 O OG . SER C 3 110 ? 33.803 -39.136 7.119 1 88.954 ? 110 SER C OG 1 3 +ATOM 4187 N N . ASN C 3 111 ? 34.881 -42.303 6.653 1 80.84 ? 111 ASN C N 1 3 +ATOM 4188 C CA . ASN C 3 111 ? 34.483 -43.485 7.401 1 77.754 ? 111 ASN C CA 1 3 +ATOM 4189 C C . ASN C 3 111 ? 33.633 -43.064 8.596 1 82.007 ? 111 ASN C C 1 3 +ATOM 4190 O O . ASN C 3 111 ? 32.83 -43.838 9.076 1 87.587 ? 111 ASN C O 1 3 +ATOM 4191 C CB . ASN C 3 111 ? 35.674 -44.3 7.889 1 79.066 ? 111 ASN C CB 1 3 +ATOM 4192 C CG . ASN C 3 111 ? 36.5 -44.846 6.752 1 90.679 ? 111 ASN C CG 1 3 +ATOM 4193 O OD1 . ASN C 3 111 ? 36.204 -44.576 5.581 1 93.702 ? 111 ASN C OD1 1 3 +ATOM 4194 N ND2 . ASN C 3 111 ? 37.535 -45.612 7.07 1 101.54 ? 111 ASN C ND2 1 3 +ATOM 4195 N N . GLY C 3 112 ? 33.797 -41.837 9.089 1 80.462 ? 112 GLY C N 1 3 +ATOM 4196 C CA . GLY C 3 112 ? 32.982 -41.374 10.192 1 79.691 ? 112 GLY C CA 1 3 +ATOM 4197 C C . GLY C 3 112 ? 33.726 -41.48 11.519 1 79.659 ? 112 GLY C C 1 3 +ATOM 4198 O O . GLY C 3 112 ? 34.906 -41.811 11.559 1 96.442 ? 112 GLY C O 1 3 +ATOM 4199 N N . THR C 3 113 ? 33.015 -41.163 12.603 1 71.728 ? 113 THR C N 1 3 +ATOM 4200 C CA . THR C 3 113 ? 33.579 -41.22 13.935 1 73.768 ? 113 THR C CA 1 3 +ATOM 4201 C C . THR C 3 113 ? 32.44 -41.525 14.897 1 73.058 ? 113 THR C C 1 3 +ATOM 4202 O O . THR C 3 113 ? 31.398 -40.88 14.881 1 66.427 ? 113 THR C O 1 3 +ATOM 4203 C CB . THR C 3 113 ? 34.32 -39.932 14.281 1 78.046 ? 113 THR C CB 1 3 +ATOM 4204 O OG1 . THR C 3 113 ? 34.666 -39.939 15.665 1 74.632 ? 113 THR C OG1 1 3 +ATOM 4205 C CG2 . THR C 3 113 ? 33.441 -38.717 14.072 1 98.487 ? 113 THR C CG2 1 3 +ATOM 4206 N N . ILE C 3 114 ? 32.646 -42.576 15.694 1 77.45 ? 114 ILE C N 1 3 +ATOM 4207 C CA . ILE C 3 114 ? 31.674 -42.999 16.673 1 75.607 ? 114 ILE C CA 1 3 +ATOM 4208 C C . ILE C 3 114 ? 31.909 -42.163 17.905 1 77.893 ? 114 ILE C C 1 3 +ATOM 4209 O O . ILE C 3 114 ? 32.97 -42.256 18.495 1 72.113 ? 114 ILE C O 1 3 +ATOM 4210 C CB . ILE C 3 114 ? 31.808 -44.479 17.031 1 80.713 ? 114 ILE C CB 1 3 +ATOM 4211 C CG1 . ILE C 3 114 ? 31.702 -45.363 15.796 1 95.198 ? 114 ILE C CG1 1 3 +ATOM 4212 C CG2 . ILE C 3 114 ? 30.79 -44.861 18.101 1 81.799 ? 114 ILE C CG2 1 3 +ATOM 4213 C CD1 . ILE C 3 114 ? 30.421 -45.181 15.005 1 95.921 ? 114 ILE C CD1 1 3 +ATOM 4214 N N . ILE C 3 115 ? 30.886 -41.406 18.299 1 77.501 ? 115 ILE C N 1 3 +ATOM 4215 C CA . ILE C 3 115 ? 30.94 -40.695 19.551 1 73.452 ? 115 ILE C CA 1 3 +ATOM 4216 C C . ILE C 3 115 ? 30.127 -41.459 20.589 1 77.274 ? 115 ILE C C 1 3 +ATOM 4217 O O . ILE C 3 115 ? 28.927 -41.648 20.417 1 76.343 ? 115 ILE C O 1 3 +ATOM 4218 C CB . ILE C 3 115 ? 30.423 -39.272 19.343 1 75.467 ? 115 ILE C CB 1 3 +ATOM 4219 C CG1 . ILE C 3 115 ? 31.307 -38.514 18.346 1 80.651 ? 115 ILE C CG1 1 3 +ATOM 4220 C CG2 . ILE C 3 115 ? 30.318 -38.57 20.693 1 82.061 ? 115 ILE C CG2 1 3 +ATOM 4221 C CD1 . ILE C 3 115 ? 30.85 -37.091 18.047 1 84.615 ? 115 ILE C CD1 1 3 +ATOM 4222 N N . HIS C 3 116 ? 30.796 -41.908 21.66 1 80.235 ? 116 HIS C N 1 3 +ATOM 4223 C CA . HIS C 3 116 ? 30.117 -42.485 22.814 1 70.97 ? 116 HIS C CA 1 3 +ATOM 4224 C C . HIS C 3 116 ? 29.92 -41.379 23.85 1 73.896 ? 116 HIS C C 1 3 +ATOM 4225 O O . HIS C 3 116 ? 30.878 -40.983 24.499 1 74.935 ? 116 HIS C O 1 3 +ATOM 4226 C CB . HIS C 3 116 ? 30.895 -43.681 23.392 1 63.395 ? 116 HIS C CB 1 3 +ATOM 4227 C CG . HIS C 3 116 ? 30.235 -44.376 24.54 1 64.885 ? 116 HIS C CG 1 3 +ATOM 4228 N ND1 . HIS C 3 116 ? 30.896 -45.178 25.446 1 69.546 ? 116 HIS C ND1 1 3 +ATOM 4229 C CD2 . HIS C 3 116 ? 28.934 -44.4 24.922 1 69.74 ? 116 HIS C CD2 1 3 +ATOM 4230 C CE1 . HIS C 3 116 ? 30.011 -45.66 26.332 1 73.165 ? 116 HIS C CE1 1 3 +ATOM 4231 N NE2 . HIS C 3 116 ? 28.819 -45.177 26.057 1 70.613 ? 116 HIS C NE2 1 3 +ATOM 4232 N N . VAL C 3 117 ? 28.675 -40.936 24.064 1 72.541 ? 117 VAL C N 1 3 +ATOM 4233 C CA . VAL C 3 117 ? 28.406 -39.979 25.136 1 74.74 ? 117 VAL C CA 1 3 +ATOM 4234 C C . VAL C 3 117 ? 28.083 -40.689 26.462 1 85.216 ? 117 VAL C C 1 3 +ATOM 4235 O O . VAL C 3 117 ? 27.027 -41.32 26.548 1 105.872 ? 117 VAL C O 1 3 +ATOM 4236 C CB . VAL C 3 117 ? 27.239 -39.079 24.688 1 74.565 ? 117 VAL C CB 1 3 +ATOM 4237 C CG1 . VAL C 3 117 ? 27.116 -37.863 25.584 1 80.352 ? 117 VAL C CG1 1 3 +ATOM 4238 C CG2 . VAL C 3 117 ? 27.389 -38.639 23.238 1 76.024 ? 117 VAL C CG2 1 3 +ATOM 4239 N N . LYS C 3 118 ? 28.922 -40.531 27.509 1 89.473 ? 118 LYS C N 1 3 +ATOM 4240 C CA . LYS C 3 118 ? 28.832 -41.313 28.754 1 91.805 ? 118 LYS C CA 1 3 +ATOM 4241 C C . LYS C 3 118 ? 28.058 -40.64 29.908 1 89.586 ? 118 LYS C C 1 3 +ATOM 4242 O O . LYS C 3 118 ? 27.901 -39.384 29.849 1 95.361 ? 118 LYS C O 1 3 +ATOM 4243 C CB . LYS C 3 118 ? 30.24 -41.582 29.298 1 91.748 ? 118 LYS C CB 1 3 +ATOM 4244 C CG . LYS C 3 118 ? 30.982 -42.64 28.517 1 101.266 ? 118 LYS C CG 1 3 +ATOM 4245 C CD . LYS C 3 118 ? 30.829 -44.068 29.066 1 112.112 ? 118 LYS C CD 1 3 +ATOM 4246 C CE . LYS C 3 118 ? 31.688 -44.397 30.254 1 114.207 ? 118 LYS C CE 1 3 +ATOM 4247 N NZ . LYS C 3 118 ? 33.095 -44.387 29.847 1 114.701 ? 118 LYS C NZ 1 3 +ATOM 4248 N N . GLU D 1 1 ? 34.432 -1.749 -51.183 1 105.879 ? 1 GLU D N 1 4 +ATOM 4249 C CA . GLU D 1 1 ? 33.679 -3.03 -51.206 1 102.846 ? 1 GLU D CA 1 4 +ATOM 4250 C C . GLU D 1 1 ? 33.419 -3.385 -52.671 1 102.787 ? 1 GLU D C 1 4 +ATOM 4251 O O . GLU D 1 1 ? 32.65 -2.771 -53.425 1 89.252 ? 1 GLU D O 1 4 +ATOM 4252 C CB . GLU D 1 1 ? 32.449 -2.975 -50.297 1 101.645 ? 1 GLU D CB 1 4 +ATOM 4253 C CG . GLU D 1 1 ? 31.696 -4.295 -50.143 1 102.793 ? 1 GLU D CG 1 4 +ATOM 4254 C CD . GLU D 1 1 ? 30.455 -4.209 -49.233 1 105.946 ? 1 GLU D CD 1 4 +ATOM 4255 O OE1 . GLU D 1 1 ? 29.625 -3.292 -49.47 1 103.285 ? 1 GLU D OE1 1 4 +ATOM 4256 O OE2 . GLU D 1 1 ? 30.274 -5.031 -48.284 1 99.928 ? 1 GLU D OE2 1 4 +ATOM 4257 N N . VAL D 1 2 ? 34.158 -4.404 -53.094 1 100.838 ? 2 VAL D N 1 4 +ATOM 4258 C CA . VAL D 1 2 ? 33.958 -4.985 -54.405 1 89.907 ? 2 VAL D CA 1 4 +ATOM 4259 C C . VAL D 1 2 ? 32.742 -5.899 -54.302 1 93.279 ? 2 VAL D C 1 4 +ATOM 4260 O O . VAL D 1 2 ? 32.586 -6.643 -53.327 1 103.628 ? 2 VAL D O 1 4 +ATOM 4261 C CB . VAL D 1 2 ? 35.227 -5.751 -54.815 1 82.22 ? 2 VAL D CB 1 4 +ATOM 4262 C CG1 . VAL D 1 2 ? 35.008 -6.588 -56.075 1 77.588 ? 2 VAL D CG1 1 4 +ATOM 4263 C CG2 . VAL D 1 2 ? 36.407 -4.795 -54.947 1 82.215 ? 2 VAL D CG2 1 4 +ATOM 4264 N N . GLN D 1 3 ? 31.855 -5.816 -55.296 1 88.725 ? 3 GLN D N 1 4 +ATOM 4265 C CA . GLN D 1 3 ? 30.689 -6.684 -55.318 1 83.404 ? 3 GLN D CA 1 4 +ATOM 4266 C C . GLN D 1 3 ? 30.534 -7.261 -56.716 1 79.216 ? 3 GLN D C 1 4 +ATOM 4267 O O . GLN D 1 3 ? 30.71 -6.549 -57.707 1 94.375 ? 3 GLN D O 1 4 +ATOM 4268 C CB . GLN D 1 3 ? 29.439 -5.923 -54.875 1 82.505 ? 3 GLN D CB 1 4 +ATOM 4269 C CG . GLN D 1 3 ? 29.504 -5.435 -53.434 1 82.246 ? 3 GLN D CG 1 4 +ATOM 4270 C CD . GLN D 1 3 ? 28.401 -4.47 -53.093 1 87.108 ? 3 GLN D CD 1 4 +ATOM 4271 O OE1 . GLN D 1 3 ? 28.543 -3.238 -53.142 1 88.22 ? 3 GLN D OE1 1 4 +ATOM 4272 N NE2 . GLN D 1 3 ? 27.262 -5.065 -52.802 1 91.879 ? 3 GLN D NE2 1 4 +ATOM 4273 N N . LEU D 1 4 ? 30.235 -8.557 -56.758 1 75.131 ? 4 LEU D N 1 4 +ATOM 4274 C CA . LEU D 1 4 ? 29.836 -9.249 -57.97 1 78.88 ? 4 LEU D CA 1 4 +ATOM 4275 C C . LEU D 1 4 ? 28.498 -9.923 -57.689 1 75.65 ? 4 LEU D C 1 4 +ATOM 4276 O O . LEU D 1 4 ? 28.42 -10.752 -56.79 1 96.245 ? 4 LEU D O 1 4 +ATOM 4277 C CB . LEU D 1 4 ? 30.9 -10.287 -58.338 1 87.277 ? 4 LEU D CB 1 4 +ATOM 4278 C CG . LEU D 1 4 ? 32.263 -9.762 -58.807 1 84.443 ? 4 LEU D CG 1 4 +ATOM 4279 C CD1 . LEU D 1 4 ? 33.199 -10.943 -59.09 1 76.662 ? 4 LEU D CD1 1 4 +ATOM 4280 C CD2 . LEU D 1 4 ? 32.173 -8.842 -60.026 1 83.616 ? 4 LEU D CD2 1 4 +ATOM 4281 N N . LEU D 1 5 ? 27.452 -9.609 -58.448 1 71.99 ? 5 LEU D N 1 4 +ATOM 4282 C CA . LEU D 1 5 ? 26.17 -10.254 -58.215 1 73.291 ? 5 LEU D CA 1 4 +ATOM 4283 C C . LEU D 1 5 ? 25.664 -10.975 -59.466 1 81.426 ? 5 LEU D C 1 4 +ATOM 4284 O O . LEU D 1 5 ? 25.347 -10.325 -60.457 1 110.322 ? 5 LEU D O 1 4 +ATOM 4285 C CB . LEU D 1 5 ? 25.2 -9.181 -57.752 1 73.654 ? 5 LEU D CB 1 4 +ATOM 4286 C CG . LEU D 1 5 ? 23.814 -9.708 -57.403 1 91.963 ? 5 LEU D CG 1 4 +ATOM 4287 C CD1 . LEU D 1 5 ? 23.965 -10.609 -56.191 1 106.878 ? 5 LEU D CD1 1 4 +ATOM 4288 C CD2 . LEU D 1 5 ? 22.774 -8.641 -57.188 1 109.952 ? 5 LEU D CD2 1 4 +ATOM 4289 N N . GLU D 1 6 ? 25.573 -12.315 -59.397 1 75.433 ? 6 GLU D N 1 4 +ATOM 4290 C CA . GLU D 1 6 ? 25.048 -13.124 -60.481 1 76.197 ? 6 GLU D CA 1 4 +ATOM 4291 C C . GLU D 1 6 ? 23.515 -13.128 -60.454 1 78.89 ? 6 GLU D C 1 4 +ATOM 4292 O O . GLU D 1 6 ? 22.887 -12.939 -59.416 1 98.997 ? 6 GLU D O 1 4 +ATOM 4293 C CB . GLU D 1 6 ? 25.556 -14.567 -60.436 1 80.347 ? 6 GLU D CB 1 4 +ATOM 4294 C CG . GLU D 1 6 ? 27.061 -14.725 -60.651 1 83.101 ? 6 GLU D CG 1 4 +ATOM 4295 C CD . GLU D 1 6 ? 27.872 -14.709 -59.375 1 85.062 ? 6 GLU D CD 1 4 +ATOM 4296 O OE1 . GLU D 1 6 ? 29.012 -15.187 -59.384 1 82.677 ? 6 GLU D OE1 1 4 +ATOM 4297 O OE2 . GLU D 1 6 ? 27.353 -14.238 -58.352 1 118.005 ? 6 GLU D OE2 1 4 +ATOM 4298 N N . SER D 1 7 ? 22.921 -13.362 -61.627 1 72.917 ? 7 SER D N 1 4 +ATOM 4299 C CA . SER D 1 7 ? 21.484 -13.536 -61.785 1 77.847 ? 7 SER D CA 1 4 +ATOM 4300 C C . SER D 1 7 ? 21.23 -14.284 -63.099 1 82.417 ? 7 SER D C 1 4 +ATOM 4301 O O . SER D 1 7 ? 22.169 -14.521 -63.856 1 94.097 ? 7 SER D O 1 4 +ATOM 4302 C CB . SER D 1 7 ? 20.764 -12.214 -61.733 1 73.653 ? 7 SER D CB 1 4 +ATOM 4303 O OG . SER D 1 7 ? 21.264 -11.408 -62.787 1 84.872 ? 7 SER D OG 1 4 +ATOM 4304 N N . GLY D 1 8 ? 19.979 -14.712 -63.334 1 86.421 ? 8 GLY D N 1 4 +ATOM 4305 C CA . GLY D 1 8 ? 19.585 -15.339 -64.592 1 89.122 ? 8 GLY D CA 1 4 +ATOM 4306 C C . GLY D 1 8 ? 19.556 -16.872 -64.538 1 90.854 ? 8 GLY D C 1 4 +ATOM 4307 O O . GLY D 1 8 ? 19.178 -17.513 -65.513 1 91.518 ? 8 GLY D O 1 4 +ATOM 4308 N N . GLY D 1 9 ? 19.957 -17.471 -63.406 1 91.23 ? 9 GLY D N 1 4 +ATOM 4309 C CA . GLY D 1 9 ? 19.905 -18.918 -63.223 1 85.134 ? 9 GLY D CA 1 4 +ATOM 4310 C C . GLY D 1 9 ? 18.543 -19.368 -62.703 1 90.054 ? 9 GLY D C 1 4 +ATOM 4311 O O . GLY D 1 9 ? 17.666 -18.54 -62.513 1 103.112 ? 9 GLY D O 1 4 +ATOM 4312 N N . GLY D 1 10 ? 18.407 -20.674 -62.416 1 98.306 ? 10 GLY D N 1 4 +ATOM 4313 C CA . GLY D 1 10 ? 17.132 -21.324 -62.12 1 98.007 ? 10 GLY D CA 1 4 +ATOM 4314 C C . GLY D 1 10 ? 16.965 -22.621 -62.921 1 97.428 ? 10 GLY D C 1 4 +ATOM 4315 O O . GLY D 1 10 ? 17.952 -23.264 -63.28 1 114.187 ? 10 GLY D O 1 4 +ATOM 4316 N N . LEU D 1 11 ? 15.714 -23.009 -63.204 1 95.679 ? 11 LEU D N 1 4 +ATOM 4317 C CA . LEU D 1 11 ? 15.447 -24.312 -63.808 1 102.556 ? 11 LEU D CA 1 4 +ATOM 4318 C C . LEU D 1 11 ? 15.224 -24.131 -65.306 1 100.196 ? 11 LEU D C 1 4 +ATOM 4319 O O . LEU D 1 11 ? 14.453 -23.263 -65.681 1 105.983 ? 11 LEU D O 1 4 +ATOM 4320 C CB . LEU D 1 11 ? 14.236 -24.977 -63.143 1 105.232 ? 11 LEU D CB 1 4 +ATOM 4321 C CG . LEU D 1 11 ? 13.807 -26.344 -63.692 1 101.092 ? 11 LEU D CG 1 4 +ATOM 4322 C CD1 . LEU D 1 11 ? 14.911 -27.387 -63.552 1 97.231 ? 11 LEU D CD1 1 4 +ATOM 4323 C CD2 . LEU D 1 11 ? 12.508 -26.813 -63.033 1 92.232 ? 11 LEU D CD2 1 4 +ATOM 4324 N N . VAL D 1 12 ? 15.85 -24.971 -66.146 1 99.502 ? 12 VAL D N 1 4 +ATOM 4325 C CA . VAL D 1 12 ? 15.661 -24.907 -67.597 1 99.971 ? 12 VAL D CA 1 4 +ATOM 4326 C C . VAL D 1 12 ? 15.636 -26.319 -68.195 1 104.918 ? 12 VAL D C 1 4 +ATOM 4327 O O . VAL D 1 12 ? 16.271 -27.233 -67.665 1 107.781 ? 12 VAL D O 1 4 +ATOM 4328 C CB . VAL D 1 12 ? 16.75 -24.034 -68.257 1 102.729 ? 12 VAL D CB 1 4 +ATOM 4329 C CG1 . VAL D 1 12 ? 18.154 -24.578 -67.989 1 106.301 ? 12 VAL D CG1 1 4 +ATOM 4330 C CG2 . VAL D 1 12 ? 16.518 -23.832 -69.755 1 103.189 ? 12 VAL D CG2 1 4 +ATOM 4331 N N . GLN D 1 13 ? 14.879 -26.484 -69.29 1 107.811 ? 13 GLN D N 1 4 +ATOM 4332 C CA . GLN D 1 13 ? 14.725 -27.764 -69.962 1 112.522 ? 13 GLN D CA 1 4 +ATOM 4333 C C . GLN D 1 13 ? 15.996 -28.115 -70.735 1 114.863 ? 13 GLN D C 1 4 +ATOM 4334 O O . GLN D 1 13 ? 16.653 -27.229 -71.283 1 110.182 ? 13 GLN D O 1 4 +ATOM 4335 C CB . GLN D 1 13 ? 13.542 -27.693 -70.93 1 120.012 ? 13 GLN D CB 1 4 +ATOM 4336 C CG . GLN D 1 13 ? 12.166 -27.621 -70.275 1 133.743 ? 13 GLN D CG 1 4 +ATOM 4337 C CD . GLN D 1 13 ? 11.75 -28.896 -69.566 1 164.314 ? 13 GLN D CD 1 4 +ATOM 4338 O OE1 . GLN D 1 13 ? 11.761 -29.998 -70.136 1 190.479 ? 13 GLN D OE1 1 4 +ATOM 4339 N NE2 . GLN D 1 13 ? 11.347 -28.756 -68.308 1 180.173 ? 13 GLN D NE2 1 4 +ATOM 4340 N N . PRO D 1 14 ? 16.382 -29.412 -70.839 1 123.219 ? 14 PRO D N 1 4 +ATOM 4341 C CA . PRO D 1 14 ? 17.516 -29.794 -71.686 1 128.762 ? 14 PRO D CA 1 4 +ATOM 4342 C C . PRO D 1 14 ? 17.256 -29.407 -73.142 1 143.486 ? 14 PRO D C 1 4 +ATOM 4343 O O . PRO D 1 14 ? 16.139 -29.525 -73.629 1 167.816 ? 14 PRO D O 1 4 +ATOM 4344 C CB . PRO D 1 14 ? 17.665 -31.315 -71.499 1 118.809 ? 14 PRO D CB 1 4 +ATOM 4345 C CG . PRO D 1 14 ? 16.309 -31.752 -70.974 1 126.746 ? 14 PRO D CG 1 4 +ATOM 4346 C CD . PRO D 1 14 ? 15.764 -30.571 -70.162 1 128.333 ? 14 PRO D CD 1 4 +ATOM 4347 N N . GLY D 1 15 ? 18.298 -28.926 -73.83 1 142.726 ? 15 GLY D N 1 4 +ATOM 4348 C CA . GLY D 1 15 ? 18.182 -28.454 -75.201 1 136.463 ? 15 GLY D CA 1 4 +ATOM 4349 C C . GLY D 1 15 ? 17.91 -26.951 -75.241 1 131.556 ? 15 GLY D C 1 4 +ATOM 4350 O O . GLY D 1 15 ? 18.206 -26.298 -76.239 1 127.702 ? 15 GLY D O 1 4 +ATOM 4351 N N . GLY D 1 16 ? 17.351 -26.413 -74.149 1 129.483 ? 16 GLY D N 1 4 +ATOM 4352 C CA . GLY D 1 16 ? 16.903 -25.03 -74.096 1 127.826 ? 16 GLY D CA 1 4 +ATOM 4353 C C . GLY D 1 16 ? 18.043 -24.053 -73.798 1 116.714 ? 16 GLY D C 1 4 +ATOM 4354 O O . GLY D 1 16 ? 19.208 -24.437 -73.726 1 106.134 ? 16 GLY D O 1 4 +ATOM 4355 N N . SER D 1 17 ? 17.682 -22.777 -73.626 1 108.044 ? 17 SER D N 1 4 +ATOM 4356 C CA . SER D 1 17 ? 18.651 -21.697 -73.563 1 105.563 ? 17 SER D CA 1 4 +ATOM 4357 C C . SER D 1 17 ? 18.407 -20.861 -72.317 1 104.537 ? 17 SER D C 1 4 +ATOM 4358 O O . SER D 1 17 ? 17.267 -20.744 -71.877 1 109.812 ? 17 SER D O 1 4 +ATOM 4359 C CB . SER D 1 17 ? 18.593 -20.824 -74.796 1 108.675 ? 17 SER D CB 1 4 +ATOM 4360 O OG . SER D 1 17 ? 19.101 -21.494 -75.945 1 109.46 ? 17 SER D OG 1 4 +ATOM 4361 N N . LEU D 1 18 ? 19.491 -20.272 -71.795 1 103.034 ? 18 LEU D N 1 4 +ATOM 4362 C CA . LEU D 1 18 ? 19.466 -19.471 -70.582 1 95.534 ? 18 LEU D CA 1 4 +ATOM 4363 C C . LEU D 1 18 ? 20.594 -18.448 -70.652 1 96.891 ? 18 LEU D C 1 4 +ATOM 4364 O O . LEU D 1 18 ? 21.657 -18.767 -71.18 1 99.283 ? 18 LEU D O 1 4 +ATOM 4365 C CB . LEU D 1 18 ? 19.659 -20.407 -69.39 1 94.894 ? 18 LEU D CB 1 4 +ATOM 4366 C CG . LEU D 1 18 ? 19.273 -19.835 -68.029 1 99.185 ? 18 LEU D CG 1 4 +ATOM 4367 C CD1 . LEU D 1 18 ? 17.768 -19.643 -67.957 1 103.069 ? 18 LEU D CD1 1 4 +ATOM 4368 C CD2 . LEU D 1 18 ? 19.769 -20.714 -66.913 1 102.959 ? 18 LEU D CD2 1 4 +ATOM 4369 N N . ARG D 1 19 ? 20.378 -17.237 -70.115 1 98.471 ? 19 ARG D N 1 4 +ATOM 4370 C CA . ARG D 1 19 ? 21.397 -16.191 -70.142 1 90.453 ? 19 ARG D CA 1 4 +ATOM 4371 C C . ARG D 1 19 ? 21.685 -15.702 -68.725 1 94.57 ? 19 ARG D C 1 4 +ATOM 4372 O O . ARG D 1 19 ? 20.793 -15.176 -68.051 1 104.787 ? 19 ARG D O 1 4 +ATOM 4373 C CB . ARG D 1 19 ? 20.955 -15 -70.986 1 89.411 ? 19 ARG D CB 1 4 +ATOM 4374 C CG . ARG D 1 19 ? 21.841 -13.767 -70.947 1 87.712 ? 19 ARG D CG 1 4 +ATOM 4375 C CD . ARG D 1 19 ? 21.016 -12.6 -71.475 1 94.989 ? 19 ARG D CD 1 4 +ATOM 4376 N NE . ARG D 1 19 ? 21.773 -11.345 -71.536 1 112.987 ? 19 ARG D NE 1 4 +ATOM 4377 C CZ . ARG D 1 19 ? 21.297 -10.112 -71.754 1 126.601 ? 19 ARG D CZ 1 4 +ATOM 4378 N NH1 . ARG D 1 19 ? 22.141 -9.089 -71.827 1 137.257 ? 19 ARG D NH1 1 4 +ATOM 4379 N NH2 . ARG D 1 19 ? 20 -9.889 -71.92 1 118.862 ? 19 ARG D NH2 1 4 +ATOM 4380 N N . LEU D 1 20 ? 22.946 -15.873 -68.298 1 90.895 ? 20 LEU D N 1 4 +ATOM 4381 C CA . LEU D 1 20 ? 23.395 -15.472 -66.973 1 83.439 ? 20 LEU D CA 1 4 +ATOM 4382 C C . LEU D 1 20 ? 24.028 -14.096 -67.057 1 80.11 ? 20 LEU D C 1 4 +ATOM 4383 O O . LEU D 1 20 ? 24.583 -13.753 -68.088 1 93.497 ? 20 LEU D O 1 4 +ATOM 4384 C CB . LEU D 1 20 ? 24.404 -16.453 -66.394 1 78.667 ? 20 LEU D CB 1 4 +ATOM 4385 C CG . LEU D 1 20 ? 23.967 -17.915 -66.297 1 76.739 ? 20 LEU D CG 1 4 +ATOM 4386 C CD1 . LEU D 1 20 ? 25.046 -18.739 -65.653 1 70.472 ? 20 LEU D CD1 1 4 +ATOM 4387 C CD2 . LEU D 1 20 ? 22.71 -18.062 -65.501 1 81.955 ? 20 LEU D CD2 1 4 +ATOM 4388 N N . SER D 1 21 ? 23.935 -13.334 -65.965 1 80.416 ? 21 SER D N 1 4 +ATOM 4389 C CA . SER D 1 21 ? 24.5 -11.995 -65.886 1 81.669 ? 21 SER D CA 1 4 +ATOM 4390 C C . SER D 1 21 ? 25.243 -11.863 -64.567 1 79.912 ? 21 SER D C 1 4 +ATOM 4391 O O . SER D 1 21 ? 24.867 -12.501 -63.594 1 96.435 ? 21 SER D O 1 4 +ATOM 4392 C CB . SER D 1 21 ? 23.445 -10.914 -66.032 1 82.895 ? 21 SER D CB 1 4 +ATOM 4393 O OG . SER D 1 21 ? 22.208 -11.314 -65.454 1 99.68 ? 21 SER D OG 1 4 +ATOM 4394 N N . CYS D 1 22 ? 26.29 -11.039 -64.565 1 78.648 ? 22 CYS D N 1 4 +ATOM 4395 C CA . CYS D 1 22 ? 27.097 -10.791 -63.382 1 76.171 ? 22 CYS D CA 1 4 +ATOM 4396 C C . CYS D 1 22 ? 27.434 -9.306 -63.34 1 79.474 ? 22 CYS D C 1 4 +ATOM 4397 O O . CYS D 1 22 ? 28.197 -8.805 -64.167 1 87.14 ? 22 CYS D O 1 4 +ATOM 4398 C CB . CYS D 1 22 ? 28.343 -11.657 -63.416 1 79.047 ? 22 CYS D CB 1 4 +ATOM 4399 S SG . CYS D 1 22 ? 29.719 -11.035 -62.414 0.84 85.602 ? 22 CYS D SG 1 4 +ATOM 4400 N N . ALA D 1 23 ? 26.789 -8.584 -62.42 1 88.195 ? 23 ALA D N 1 4 +ATOM 4401 C CA . ALA D 1 23 ? 26.949 -7.138 -62.349 1 88.122 ? 23 ALA D CA 1 4 +ATOM 4402 C C . ALA D 1 23 ? 28.083 -6.85 -61.377 1 84.523 ? 23 ALA D C 1 4 +ATOM 4403 O O . ALA D 1 23 ? 28.234 -7.585 -60.408 1 96.18 ? 23 ALA D O 1 4 +ATOM 4404 C CB . ALA D 1 23 ? 25.652 -6.456 -61.956 1 83.895 ? 23 ALA D CB 1 4 +ATOM 4405 N N . ALA D 1 24 ? 28.873 -5.81 -61.671 1 79.18 ? 24 ALA D N 1 4 +ATOM 4406 C CA . ALA D 1 24 ? 30.073 -5.511 -60.915 1 77.278 ? 24 ALA D CA 1 4 +ATOM 4407 C C . ALA D 1 24 ? 30.077 -4.065 -60.431 1 85.214 ? 24 ALA D C 1 4 +ATOM 4408 O O . ALA D 1 24 ? 29.633 -3.148 -61.131 1 88.655 ? 24 ALA D O 1 4 +ATOM 4409 C CB . ALA D 1 24 ? 31.269 -5.778 -61.781 1 80.528 ? 24 ALA D CB 1 4 +ATOM 4410 N N . SER D 1 25 ? 30.68 -3.879 -59.254 1 88.33 ? 25 SER D N 1 4 +ATOM 4411 C CA . SER D 1 25 ? 30.895 -2.568 -58.673 1 90.947 ? 25 SER D CA 1 4 +ATOM 4412 C C . SER D 1 25 ? 32.085 -2.615 -57.717 1 82.454 ? 25 SER D C 1 4 +ATOM 4413 O O . SER D 1 25 ? 32.485 -3.67 -57.242 1 80.968 ? 25 SER D O 1 4 +ATOM 4414 C CB . SER D 1 25 ? 29.65 -2.099 -57.954 1 99.473 ? 25 SER D CB 1 4 +ATOM 4415 O OG . SER D 1 25 ? 29.477 -2.775 -56.711 1 90.177 ? 25 SER D OG 1 4 +ATOM 4416 N N . GLY D 1 26 ? 32.646 -1.448 -57.407 1 89.364 ? 26 GLY D N 1 4 +ATOM 4417 C CA . GLY D 1 26 ? 33.749 -1.365 -56.467 1 90.703 ? 26 GLY D CA 1 4 +ATOM 4418 C C . GLY D 1 26 ? 35.105 -1.528 -57.153 1 88.788 ? 26 GLY D C 1 4 +ATOM 4419 O O . GLY D 1 26 ? 36.095 -1.689 -56.442 1 96.832 ? 26 GLY D O 1 4 +ATOM 4420 N N . PHE D 1 27 ? 35.142 -1.531 -58.505 1 82.919 ? 27 PHE D N 1 4 +ATOM 4421 C CA . PHE D 1 27 ? 36.401 -1.55 -59.247 1 83.663 ? 27 PHE D CA 1 4 +ATOM 4422 C C . PHE D 1 27 ? 36.201 -1.105 -60.695 1 88.037 ? 27 PHE D C 1 4 +ATOM 4423 O O . PHE D 1 27 ? 35.065 -1.046 -61.17 1 96.705 ? 27 PHE D O 1 4 +ATOM 4424 C CB . PHE D 1 27 ? 37.018 -2.945 -59.22 1 83.555 ? 27 PHE D CB 1 4 +ATOM 4425 C CG . PHE D 1 27 ? 36.229 -4.026 -59.95 1 83.45 ? 27 PHE D CG 1 4 +ATOM 4426 C CD1 . PHE D 1 27 ? 35.118 -4.634 -59.375 1 82.004 ? 27 PHE D CD1 1 4 +ATOM 4427 C CD2 . PHE D 1 27 ? 36.637 -4.456 -61.203 1 85.399 ? 27 PHE D CD2 1 4 +ATOM 4428 C CE1 . PHE D 1 27 ? 34.439 -5.627 -60.037 1 77.705 ? 27 PHE D CE1 1 4 +ATOM 4429 C CE2 . PHE D 1 27 ? 35.967 -5.468 -61.853 1 86.964 ? 27 PHE D CE2 1 4 +ATOM 4430 C CZ . PHE D 1 27 ? 34.876 -6.052 -61.264 1 84.124 ? 27 PHE D CZ 1 4 +ATOM 4431 N N . THR D 1 28 ? 37.305 -0.789 -61.397 1 88.733 ? 28 THR D N 1 4 +ATOM 4432 C CA . THR D 1 28 ? 37.187 -0.378 -62.791 1 85.347 ? 28 THR D CA 1 4 +ATOM 4433 C C . THR D 1 28 ? 36.961 -1.613 -63.662 1 85.657 ? 28 THR D C 1 4 +ATOM 4434 O O . THR D 1 28 ? 37.928 -2.254 -64.052 1 94.682 ? 28 THR D O 1 4 +ATOM 4435 C CB . THR D 1 28 ? 38.418 0.388 -63.267 1 76.002 ? 28 THR D CB 1 4 +ATOM 4436 O OG1 . THR D 1 28 ? 38.692 1.387 -62.309 1 82.51 ? 28 THR D OG1 1 4 +ATOM 4437 C CG2 . THR D 1 28 ? 38.169 1.092 -64.583 1 74.539 ? 28 THR D CG2 1 4 +ATOM 4438 N N . PHE D 1 29 ? 35.696 -1.899 -64.004 1 79.816 ? 29 PHE D N 1 4 +ATOM 4439 C CA . PHE D 1 29 ? 35.295 -3.141 -64.653 1 75.366 ? 29 PHE D CA 1 4 +ATOM 4440 C C . PHE D 1 29 ? 36.122 -3.423 -65.91 1 70.946 ? 29 PHE D C 1 4 +ATOM 4441 O O . PHE D 1 29 ? 36.566 -4.543 -66.103 1 70 ? 29 PHE D O 1 4 +ATOM 4442 C CB . PHE D 1 29 ? 33.79 -3.051 -64.94 1 76.455 ? 29 PHE D CB 1 4 +ATOM 4443 C CG . PHE D 1 29 ? 33.192 -4.313 -65.542 1 72.369 ? 29 PHE D CG 1 4 +ATOM 4444 C CD1 . PHE D 1 29 ? 33.069 -5.478 -64.801 1 65.077 ? 29 PHE D CD1 1 4 +ATOM 4445 C CD2 . PHE D 1 29 ? 32.723 -4.32 -66.849 1 75.034 ? 29 PHE D CD2 1 4 +ATOM 4446 C CE1 . PHE D 1 29 ? 32.543 -6.636 -65.378 1 68.866 ? 29 PHE D CE1 1 4 +ATOM 4447 C CE2 . PHE D 1 29 ? 32.171 -5.474 -67.412 1 72.004 ? 29 PHE D CE2 1 4 +ATOM 4448 C CZ . PHE D 1 29 ? 32.088 -6.63 -66.682 1 65.988 ? 29 PHE D CZ 1 4 +ATOM 4449 N N . SER D 1 30 ? 36.323 -2.41 -66.759 1 75.932 ? 30 SER D N 1 4 +ATOM 4450 C CA . SER D 1 30 ? 36.964 -2.543 -68.065 1 77.566 ? 30 SER D CA 1 4 +ATOM 4451 C C . SER D 1 30 ? 38.479 -2.753 -67.965 1 82.254 ? 30 SER D C 1 4 +ATOM 4452 O O . SER D 1 30 ? 39.125 -3.05 -68.978 1 94.017 ? 30 SER D O 1 4 +ATOM 4453 C CB . SER D 1 30 ? 36.69 -1.323 -68.892 1 86.713 ? 30 SER D CB 1 4 +ATOM 4454 O OG . SER D 1 30 ? 37.272 -0.184 -68.265 1 98.652 ? 30 SER D OG 1 4 +ATOM 4455 N N . SER D 1 31 ? 39.055 -2.58 -66.768 1 85.946 ? 31 SER D N 1 4 +ATOM 4456 C CA . SER D 1 31 ? 40.485 -2.79 -66.564 1 93.228 ? 31 SER D CA 1 4 +ATOM 4457 C C . SER D 1 31 ? 40.82 -4.257 -66.29 1 91.697 ? 31 SER D C 1 4 +ATOM 4458 O O . SER D 1 31 ? 42.003 -4.578 -66.224 1 98.508 ? 31 SER D O 1 4 +ATOM 4459 C CB . SER D 1 31 ? 41.035 -1.957 -65.42 1 96.696 ? 31 SER D CB 1 4 +ATOM 4460 O OG . SER D 1 31 ? 40.935 -0.567 -65.664 1 93.418 ? 31 SER D OG 1 4 +ATOM 4461 N N . TYR D 1 32 ? 39.822 -5.137 -66.09 1 87.08 ? 32 TYR D N 1 4 +ATOM 4462 C CA . TYR D 1 32 ? 40.111 -6.507 -65.681 1 88.212 ? 32 TYR D CA 1 4 +ATOM 4463 C C . TYR D 1 32 ? 39.439 -7.552 -66.581 1 84.468 ? 32 TYR D C 1 4 +ATOM 4464 O O . TYR D 1 32 ? 38.308 -7.366 -67.051 1 66.958 ? 32 TYR D O 1 4 +ATOM 4465 C CB . TYR D 1 32 ? 39.671 -6.754 -64.237 1 92.952 ? 32 TYR D CB 1 4 +ATOM 4466 C CG . TYR D 1 32 ? 40.322 -5.879 -63.179 1 93.537 ? 32 TYR D CG 1 4 +ATOM 4467 C CD1 . TYR D 1 32 ? 41.577 -6.176 -62.658 1 112.098 ? 32 TYR D CD1 1 4 +ATOM 4468 C CD2 . TYR D 1 32 ? 39.657 -4.772 -62.694 1 87.036 ? 32 TYR D CD2 1 4 +ATOM 4469 C CE1 . TYR D 1 32 ? 42.16 -5.37 -61.691 1 113.431 ? 32 TYR D CE1 1 4 +ATOM 4470 C CE2 . TYR D 1 32 ? 40.22 -3.954 -61.736 1 86.614 ? 32 TYR D CE2 1 4 +ATOM 4471 C CZ . TYR D 1 32 ? 41.462 -4.26 -61.238 1 94.402 ? 32 TYR D CZ 1 4 +ATOM 4472 O OH . TYR D 1 32 ? 41.867 -3.398 -60.291 1 102.083 ? 32 TYR D OH 1 4 +ATOM 4473 N N . ALA D 1 33 ? 40.154 -8.682 -66.766 1 85.297 ? 33 ALA D N 1 4 +ATOM 4474 C CA . ALA D 1 33 ? 39.603 -9.863 -67.409 1 80.228 ? 33 ALA D CA 1 4 +ATOM 4475 C C . ALA D 1 33 ? 38.611 -10.53 -66.464 1 74.552 ? 33 ALA D C 1 4 +ATOM 4476 O O . ALA D 1 33 ? 38.78 -10.51 -65.262 1 78.907 ? 33 ALA D O 1 4 +ATOM 4477 C CB . ALA D 1 33 ? 40.704 -10.813 -67.796 1 88.903 ? 33 ALA D CB 1 4 +ATOM 4478 N N . MET D 1 34 ? 37.547 -11.097 -67.014 1 79.34 ? 34 MET D N 1 4 +ATOM 4479 C CA . MET D 1 34 ? 36.515 -11.735 -66.216 1 78.033 ? 34 MET D CA 1 4 +ATOM 4480 C C . MET D 1 34 ? 36.4 -13.171 -66.683 1 78.592 ? 34 MET D C 1 4 +ATOM 4481 O O . MET D 1 34 ? 36.704 -13.459 -67.829 1 87.077 ? 34 MET D O 1 4 +ATOM 4482 C CB . MET D 1 34 ? 35.151 -11.049 -66.377 1 82.152 ? 34 MET D CB 1 4 +ATOM 4483 C CG . MET D 1 34 ? 35.126 -9.613 -65.856 1 93.643 ? 34 MET D CG 1 4 +ATOM 4484 S SD . MET D 1 34 ? 35.477 -9.512 -64.091 1 89.687 ? 34 MET D SD 1 4 +ATOM 4485 C CE . MET D 1 34 ? 33.897 -10.153 -63.506 1 108.342 ? 34 MET D CE 1 4 +ATOM 4486 N N . SER D 1 35 ? 35.969 -14.049 -65.776 1 86.576 ? 35 SER D N 1 4 +ATOM 4487 C CA . SER D 1 35 ? 35.739 -15.45 -66.084 1 84.771 ? 35 SER D CA 1 4 +ATOM 4488 C C . SER D 1 35 ? 34.399 -15.919 -65.52 1 73.613 ? 35 SER D C 1 4 +ATOM 4489 O O . SER D 1 35 ? 33.812 -15.32 -64.623 1 73.511 ? 35 SER D O 1 4 +ATOM 4490 C CB . SER D 1 35 ? 36.872 -16.31 -65.578 1 93.06 ? 35 SER D CB 1 4 +ATOM 4491 O OG . SER D 1 35 ? 38.077 -16.006 -66.269 1 105.997 ? 35 SER D OG 1 4 +ATOM 4492 N N . TRP D 1 36 ? 33.902 -16.996 -66.107 1 69.441 ? 36 TRP D N 1 4 +ATOM 4493 C CA . TRP D 1 36 ? 32.868 -17.81 -65.503 1 73.314 ? 36 TRP D CA 1 4 +ATOM 4494 C C . TRP D 1 36 ? 33.482 -19.145 -65.077 1 73.312 ? 36 TRP D C 1 4 +ATOM 4495 O O . TRP D 1 36 ? 34.204 -19.769 -65.857 1 88.5 ? 36 TRP D O 1 4 +ATOM 4496 C CB . TRP D 1 36 ? 31.738 -18.032 -66.51 1 74.727 ? 36 TRP D CB 1 4 +ATOM 4497 C CG . TRP D 1 36 ? 30.881 -16.829 -66.745 1 72.011 ? 36 TRP D CG 1 4 +ATOM 4498 C CD1 . TRP D 1 36 ? 30.981 -15.93 -67.762 1 76.062 ? 36 TRP D CD1 1 4 +ATOM 4499 C CD2 . TRP D 1 36 ? 29.751 -16.436 -65.948 1 75.382 ? 36 TRP D CD2 1 4 +ATOM 4500 N NE1 . TRP D 1 36 ? 29.987 -14.995 -67.654 1 88.623 ? 36 TRP D NE1 1 4 +ATOM 4501 C CE2 . TRP D 1 36 ? 29.218 -15.272 -66.553 1 88.084 ? 36 TRP D CE2 1 4 +ATOM 4502 C CE3 . TRP D 1 36 ? 29.152 -16.943 -64.793 1 68.613 ? 36 TRP D CE3 1 4 +ATOM 4503 C CZ2 . TRP D 1 36 ? 28.113 -14.601 -66.03 1 89.934 ? 36 TRP D CZ2 1 4 +ATOM 4504 C CZ3 . TRP D 1 36 ? 28.058 -16.286 -64.281 1 81.042 ? 36 TRP D CZ3 1 4 +ATOM 4505 C CH2 . TRP D 1 36 ? 27.552 -15.126 -64.886 1 95.526 ? 36 TRP D CH2 1 4 +ATOM 4506 N N . VAL D 1 37 ? 33.205 -19.551 -63.835 1 69.968 ? 37 VAL D N 1 4 +ATOM 4507 C CA . VAL D 1 37 ? 33.637 -20.827 -63.288 1 70.784 ? 37 VAL D CA 1 4 +ATOM 4508 C C . VAL D 1 37 ? 32.386 -21.529 -62.763 1 68.958 ? 37 VAL D C 1 4 +ATOM 4509 O O . VAL D 1 37 ? 31.569 -20.874 -62.126 1 63.247 ? 37 VAL D O 1 4 +ATOM 4510 C CB . VAL D 1 37 ? 34.705 -20.641 -62.185 1 67.718 ? 37 VAL D CB 1 4 +ATOM 4511 C CG1 . VAL D 1 37 ? 35.117 -21.965 -61.547 1 66.402 ? 37 VAL D CG1 1 4 +ATOM 4512 C CG2 . VAL D 1 37 ? 35.927 -19.869 -62.691 1 66.6 ? 37 VAL D CG2 1 4 +ATOM 4513 N N . ARG D 1 38 ? 32.223 -22.829 -63.067 1 73.281 ? 38 ARG D N 1 4 +ATOM 4514 C CA . ARG D 1 38 ? 31.05 -23.553 -62.607 1 82.993 ? 38 ARG D CA 1 4 +ATOM 4515 C C . ARG D 1 38 ? 31.446 -24.709 -61.688 1 89.906 ? 38 ARG D C 1 4 +ATOM 4516 O O . ARG D 1 38 ? 32.549 -25.242 -61.785 1 82.623 ? 38 ARG D O 1 4 +ATOM 4517 C CB . ARG D 1 38 ? 30.187 -24.026 -63.778 1 81.092 ? 38 ARG D CB 1 4 +ATOM 4518 C CG . ARG D 1 38 ? 30.774 -25.201 -64.534 1 76.12 ? 38 ARG D CG 1 4 +ATOM 4519 C CD . ARG D 1 38 ? 29.795 -25.663 -65.586 1 75.279 ? 38 ARG D CD 1 4 +ATOM 4520 N NE . ARG D 1 38 ? 30.419 -26.687 -66.428 1 83.794 ? 38 ARG D NE 1 4 +ATOM 4521 C CZ . ARG D 1 38 ? 29.954 -27.029 -67.614 1 89.226 ? 38 ARG D CZ 1 4 +ATOM 4522 N NH1 . ARG D 1 38 ? 28.791 -26.552 -68.006 1 82.873 ? 38 ARG D NH1 1 4 +ATOM 4523 N NH2 . ARG D 1 38 ? 30.646 -27.84 -68.397 1 102.133 ? 38 ARG D NH2 1 4 +ATOM 4524 N N . GLN D 1 39 ? 30.525 -25.074 -60.782 1 89.643 ? 39 GLN D N 1 4 +ATOM 4525 C CA . GLN D 1 39 ? 30.779 -26.13 -59.823 1 92.799 ? 39 GLN D CA 1 4 +ATOM 4526 C C . GLN D 1 39 ? 29.513 -26.947 -59.659 1 98.585 ? 39 GLN D C 1 4 +ATOM 4527 O O . GLN D 1 39 ? 28.554 -26.444 -59.078 1 103.915 ? 39 GLN D O 1 4 +ATOM 4528 C CB . GLN D 1 39 ? 31.188 -25.548 -58.475 1 89.495 ? 39 GLN D CB 1 4 +ATOM 4529 C CG . GLN D 1 39 ? 31.558 -26.612 -57.447 1 90.838 ? 39 GLN D CG 1 4 +ATOM 4530 C CD . GLN D 1 39 ? 32.183 -26.05 -56.192 1 91.046 ? 39 GLN D CD 1 4 +ATOM 4531 O OE1 . GLN D 1 39 ? 31.774 -25.012 -55.67 1 90.649 ? 39 GLN D OE1 1 4 +ATOM 4532 N NE2 . GLN D 1 39 ? 33.193 -26.733 -55.69 1 101.178 ? 39 GLN D NE2 1 4 +ATOM 4533 N N . ALA D 1 40 ? 29.533 -28.18 -60.192 1 96.36 ? 40 ALA D N 1 4 +ATOM 4534 C CA . ALA D 1 40 ? 28.389 -29.068 -60.104 1 101.636 ? 40 ALA D CA 1 4 +ATOM 4535 C C . ALA D 1 40 ? 28.142 -29.431 -58.639 1 113.854 ? 40 ALA D C 1 4 +ATOM 4536 O O . ALA D 1 40 ? 29.109 -29.461 -57.879 1 125.897 ? 40 ALA D O 1 4 +ATOM 4537 C CB . ALA D 1 40 ? 28.633 -30.272 -60.981 1 99.911 ? 40 ALA D CB 1 4 +ATOM 4538 N N . PRO D 1 41 ? 26.881 -29.695 -58.183 1 121.459 ? 41 PRO D N 1 4 +ATOM 4539 C CA . PRO D 1 41 ? 26.612 -29.974 -56.764 1 109.791 ? 41 PRO D CA 1 4 +ATOM 4540 C C . PRO D 1 41 ? 27.493 -31.09 -56.208 1 94.961 ? 41 PRO D C 1 4 +ATOM 4541 O O . PRO D 1 41 ? 27.491 -32.177 -56.763 1 86.85 ? 41 PRO D O 1 4 +ATOM 4542 C CB . PRO D 1 41 ? 25.115 -30.354 -56.734 1 114.384 ? 41 PRO D CB 1 4 +ATOM 4543 C CG . PRO D 1 41 ? 24.524 -29.654 -57.93 1 119.998 ? 41 PRO D CG 1 4 +ATOM 4544 C CD . PRO D 1 41 ? 25.641 -29.722 -58.989 1 122.82 ? 41 PRO D CD 1 4 +ATOM 4545 N N . GLY D 1 42 ? 28.27 -30.783 -55.158 1 96.48 ? 42 GLY D N 1 4 +ATOM 4546 C CA . GLY D 1 42 ? 29.244 -31.692 -54.565 1 96.256 ? 42 GLY D CA 1 4 +ATOM 4547 C C . GLY D 1 42 ? 30.424 -32.099 -55.467 1 94.625 ? 42 GLY D C 1 4 +ATOM 4548 O O . GLY D 1 42 ? 31.041 -33.128 -55.234 1 116.697 ? 42 GLY D O 1 4 +ATOM 4549 N N . LYS D 1 43 ? 30.794 -31.31 -56.476 1 93.647 ? 43 LYS D N 1 4 +ATOM 4550 C CA . LYS D 1 43 ? 31.946 -31.628 -57.314 1 94.696 ? 43 LYS D CA 1 4 +ATOM 4551 C C . LYS D 1 43 ? 32.983 -30.504 -57.237 1 97.69 ? 43 LYS D C 1 4 +ATOM 4552 O O . LYS D 1 43 ? 32.799 -29.543 -56.487 1 86.988 ? 43 LYS D O 1 4 +ATOM 4553 C CB . LYS D 1 43 ? 31.511 -31.792 -58.774 1 103.152 ? 43 LYS D CB 1 4 +ATOM 4554 C CG . LYS D 1 43 ? 30.45 -32.828 -59.058 1 99.556 ? 43 LYS D CG 1 4 +ATOM 4555 C CD . LYS D 1 43 ? 30.943 -34.25 -59.065 1 100.75 ? 43 LYS D CD 1 4 +ATOM 4556 C CE . LYS D 1 43 ? 30.191 -34.98 -60.16 1 103.877 ? 43 LYS D CE 1 4 +ATOM 4557 N NZ . LYS D 1 43 ? 30.441 -36.424 -60.153 1 113.241 ? 43 LYS D NZ 1 4 +ATOM 4558 N N . GLY D 1 44 ? 34.058 -30.624 -58.04 1 99.997 ? 44 GLY D N 1 4 +ATOM 4559 C CA . GLY D 1 44 ? 35.118 -29.628 -58.105 1 91.254 ? 44 GLY D CA 1 4 +ATOM 4560 C C . GLY D 1 44 ? 34.763 -28.46 -59.027 1 89.459 ? 44 GLY D C 1 4 +ATOM 4561 O O . GLY D 1 44 ? 33.678 -28.378 -59.609 1 81.544 ? 44 GLY D O 1 4 +ATOM 4562 N N . LEU D 1 45 ? 35.721 -27.541 -59.147 1 80.767 ? 45 LEU D N 1 4 +ATOM 4563 C CA . LEU D 1 45 ? 35.559 -26.324 -59.92 1 72.095 ? 45 LEU D CA 1 4 +ATOM 4564 C C . LEU D 1 45 ? 35.948 -26.614 -61.353 1 73.764 ? 45 LEU D C 1 4 +ATOM 4565 O O . LEU D 1 45 ? 36.959 -27.268 -61.604 1 97.593 ? 45 LEU D O 1 4 +ATOM 4566 C CB . LEU D 1 45 ? 36.476 -25.251 -59.338 1 69.76 ? 45 LEU D CB 1 4 +ATOM 4567 C CG . LEU D 1 45 ? 36.227 -24.929 -57.858 1 71.297 ? 45 LEU D CG 1 4 +ATOM 4568 C CD1 . LEU D 1 45 ? 37.388 -24.29 -57.149 1 73.954 ? 45 LEU D CD1 1 4 +ATOM 4569 C CD2 . LEU D 1 45 ? 35.005 -24.045 -57.731 1 72.511 ? 45 LEU D CD2 1 4 +ATOM 4570 N N . GLU D 1 46 ? 35.166 -26.083 -62.284 1 71.32 ? 46 GLU D N 1 4 +ATOM 4571 C CA . GLU D 1 46 ? 35.465 -26.222 -63.694 1 82.91 ? 46 GLU D CA 1 4 +ATOM 4572 C C . GLU D 1 46 ? 35.388 -24.836 -64.325 1 83.697 ? 46 GLU D C 1 4 +ATOM 4573 O O . GLU D 1 46 ? 34.341 -24.194 -64.292 1 79.221 ? 46 GLU D O 1 4 +ATOM 4574 C CB . GLU D 1 46 ? 34.463 -27.185 -64.327 1 98.57 ? 46 GLU D CB 1 4 +ATOM 4575 C CG . GLU D 1 46 ? 34.673 -27.423 -65.822 1 122.165 ? 46 GLU D CG 1 4 +ATOM 4576 C CD . GLU D 1 46 ? 33.555 -28.19 -66.526 1 130.6 ? 46 GLU D CD 1 4 +ATOM 4577 O OE1 . GLU D 1 46 ? 33.703 -28.351 -67.763 1 118.771 ? 46 GLU D OE1 1 4 +ATOM 4578 O OE2 . GLU D 1 46 ? 32.539 -28.591 -65.881 1 129.898 ? 46 GLU D OE2 1 4 +ATOM 4579 N N . TRP D 1 47 ? 36.51 -24.389 -64.891 1 86.998 ? 47 TRP D N 1 4 +ATOM 4580 C CA . TRP D 1 47 ? 36.556 -23.122 -65.6 1 82.232 ? 47 TRP D CA 1 4 +ATOM 4581 C C . TRP D 1 47 ? 35.747 -23.228 -66.891 1 81.688 ? 47 TRP D C 1 4 +ATOM 4582 O O . TRP D 1 47 ? 35.828 -24.243 -67.574 1 94.01 ? 47 TRP D O 1 4 +ATOM 4583 C CB . TRP D 1 47 ? 38.015 -22.751 -65.873 1 82.226 ? 47 TRP D CB 1 4 +ATOM 4584 C CG . TRP D 1 47 ? 38.215 -21.494 -66.678 1 78.679 ? 47 TRP D CG 1 4 +ATOM 4585 C CD1 . TRP D 1 47 ? 38.342 -20.222 -66.199 1 81.868 ? 47 TRP D CD1 1 4 +ATOM 4586 C CD2 . TRP D 1 47 ? 38.398 -21.402 -68.102 1 67.316 ? 47 TRP D CD2 1 4 +ATOM 4587 N NE1 . TRP D 1 47 ? 38.557 -19.349 -67.231 1 79.961 ? 47 TRP D NE1 1 4 +ATOM 4588 C CE2 . TRP D 1 47 ? 38.606 -20.045 -68.405 1 70.735 ? 47 TRP D CE2 1 4 +ATOM 4589 C CE3 . TRP D 1 47 ? 38.415 -22.329 -69.135 1 72.116 ? 47 TRP D CE3 1 4 +ATOM 4590 C CZ2 . TRP D 1 47 ? 38.823 -19.591 -69.697 1 76.841 ? 47 TRP D CZ2 1 4 +ATOM 4591 C CZ3 . TRP D 1 47 ? 38.643 -21.882 -70.415 1 83.458 ? 47 TRP D CZ3 1 4 +ATOM 4592 C CH2 . TRP D 1 47 ? 38.837 -20.528 -70.699 1 82.032 ? 47 TRP D CH2 1 4 +ATOM 4593 N N . VAL D 1 48 ? 34.964 -22.184 -67.206 1 76.086 ? 48 VAL D N 1 4 +ATOM 4594 C CA . VAL D 1 48 ? 34.026 -22.217 -68.318 1 78.573 ? 48 VAL D CA 1 4 +ATOM 4595 C C . VAL D 1 48 ? 34.555 -21.335 -69.445 1 72.431 ? 48 VAL D C 1 4 +ATOM 4596 O O . VAL D 1 48 ? 34.682 -21.794 -70.572 1 84.299 ? 48 VAL D O 1 4 +ATOM 4597 C CB . VAL D 1 48 ? 32.581 -21.847 -67.905 1 78.545 ? 48 VAL D CB 1 4 +ATOM 4598 C CG1 . VAL D 1 48 ? 31.615 -21.695 -69.09 1 80.353 ? 48 VAL D CG1 1 4 +ATOM 4599 C CG2 . VAL D 1 48 ? 32.042 -22.863 -66.898 1 74.746 ? 48 VAL D CG2 1 4 +ATOM 4600 N N . SER D 1 49 ? 34.825 -20.067 -69.169 1 69.05 ? 49 SER D N 1 4 +ATOM 4601 C CA . SER D 1 49 ? 35.26 -19.149 -70.216 1 82.468 ? 49 SER D CA 1 4 +ATOM 4602 C C . SER D 1 49 ? 35.855 -17.884 -69.604 1 81.55 ? 49 SER D C 1 4 +ATOM 4603 O O . SER D 1 49 ? 35.687 -17.611 -68.415 1 86.562 ? 49 SER D O 1 4 +ATOM 4604 C CB . SER D 1 49 ? 34.154 -18.798 -71.17 1 87.245 ? 49 SER D CB 1 4 +ATOM 4605 O OG . SER D 1 49 ? 33.047 -18.291 -70.444 1 111.345 ? 49 SER D OG 1 4 +ATOM 4606 N N . ALA D 1 50 ? 36.571 -17.132 -70.442 1 78.738 ? 50 ALA D N 1 4 +ATOM 4607 C CA . ALA D 1 50 ? 37.224 -15.905 -70.02 1 75.667 ? 50 ALA D CA 1 4 +ATOM 4608 C C . ALA D 1 50 ? 37.139 -14.863 -71.136 1 69.507 ? 50 ALA D C 1 4 +ATOM 4609 O O . ALA D 1 50 ? 37.174 -15.19 -72.316 1 70.257 ? 50 ALA D O 1 4 +ATOM 4610 C CB . ALA D 1 50 ? 38.671 -16.165 -69.603 1 75.717 ? 50 ALA D CB 1 4 +ATOM 4611 N N . ILE D 1 51 ? 37.069 -13.592 -70.732 1 68.506 ? 51 ILE D N 1 4 +ATOM 4612 C CA . ILE D 1 51 ? 36.948 -12.483 -71.658 1 70.872 ? 51 ILE D CA 1 4 +ATOM 4613 C C . ILE D 1 51 ? 37.874 -11.353 -71.194 1 72.402 ? 51 ILE D C 1 4 +ATOM 4614 O O . ILE D 1 51 ? 38.016 -11.099 -69.999 1 68.239 ? 51 ILE D O 1 4 +ATOM 4615 C CB . ILE D 1 51 ? 35.469 -12.054 -71.808 1 67.003 ? 51 ILE D CB 1 4 +ATOM 4616 C CG1 . ILE D 1 51 ? 35.321 -10.974 -72.866 1 70.609 ? 51 ILE D CG1 1 4 +ATOM 4617 C CG2 . ILE D 1 51 ? 34.871 -11.598 -70.481 1 63.826 ? 51 ILE D CG2 1 4 +ATOM 4618 C CD1 . ILE D 1 51 ? 33.896 -10.684 -73.271 1 72.188 ? 51 ILE D CD1 1 4 +ATOM 4619 N N . SER D 1 52 ? 38.531 -10.691 -72.155 1 76.648 ? 52 SER D N 1 4 +ATOM 4620 C CA . SER D 1 52 ? 39.464 -9.623 -71.834 1 79.401 ? 52 SER D CA 1 4 +ATOM 4621 C C . SER D 1 52 ? 38.682 -8.411 -71.341 1 78.842 ? 52 SER D C 1 4 +ATOM 4622 O O . SER D 1 52 ? 37.474 -8.351 -71.516 1 96.668 ? 52 SER D O 1 4 +ATOM 4623 C CB . SER D 1 52 ? 40.362 -9.289 -73.015 1 80.772 ? 52 SER D CB 1 4 +ATOM 4624 O OG . SER D 1 52 ? 39.608 -8.845 -74.131 1 88.437 ? 52 SER D OG 1 4 +ATOM 4625 N N . GLY D 1 53 A 39.374 -7.442 -70.738 1 77.806 ? 52 GLY D N 1 4 +ATOM 4626 C CA . GLY D 1 53 A 38.761 -6.204 -70.263 1 77.015 ? 52 GLY D CA 1 4 +ATOM 4627 C C . GLY D 1 53 A 38.024 -5.415 -71.353 1 74.419 ? 52 GLY D C 1 4 +ATOM 4628 O O . GLY D 1 53 A 37.089 -4.67 -71.053 1 79.436 ? 52 GLY D O 1 4 +ATOM 4629 N N . SER D 1 54 ? 38.448 -5.602 -72.609 1 76.512 ? 53 SER D N 1 4 +ATOM 4630 C CA . SER D 1 54 ? 37.879 -4.916 -73.758 1 81.684 ? 53 SER D CA 1 4 +ATOM 4631 C C . SER D 1 54 ? 36.809 -5.756 -74.442 1 76.204 ? 53 SER D C 1 4 +ATOM 4632 O O . SER D 1 54 ? 35.996 -5.224 -75.18 1 73.334 ? 53 SER D O 1 4 +ATOM 4633 C CB . SER D 1 54 ? 38.957 -4.576 -74.757 1 91.48 ? 53 SER D CB 1 4 +ATOM 4634 O OG . SER D 1 54 ? 39.446 -5.737 -75.424 1 83.865 ? 53 SER D OG 1 4 +ATOM 4635 N N . GLY D 1 55 ? 36.866 -7.074 -74.248 1 77.564 ? 54 GLY D N 1 4 +ATOM 4636 C CA . GLY D 1 55 ? 35.938 -7.992 -74.879 1 80.94 ? 54 GLY D CA 1 4 +ATOM 4637 C C . GLY D 1 55 ? 36.485 -8.536 -76.194 1 88.423 ? 54 GLY D C 1 4 +ATOM 4638 O O . GLY D 1 55 ? 35.839 -9.397 -76.789 1 91.784 ? 54 GLY D O 1 4 +ATOM 4639 N N . GLY D 1 56 ? 37.685 -8.079 -76.605 1 92.27 ? 55 GLY D N 1 4 +ATOM 4640 C CA . GLY D 1 56 ? 38.27 -8.439 -77.895 1 93.894 ? 55 GLY D CA 1 4 +ATOM 4641 C C . GLY D 1 56 ? 38.758 -9.891 -77.967 1 93.245 ? 55 GLY D C 1 4 +ATOM 4642 O O . GLY D 1 56 ? 38.751 -10.544 -79.022 1 104.164 ? 55 GLY D O 1 4 +ATOM 4643 N N . SER D 1 57 ? 39.159 -10.411 -76.809 1 89.445 ? 56 SER D N 1 4 +ATOM 4644 C CA . SER D 1 57 ? 39.652 -11.767 -76.714 1 88.576 ? 56 SER D CA 1 4 +ATOM 4645 C C . SER D 1 57 ? 38.695 -12.597 -75.854 1 85.238 ? 56 SER D C 1 4 +ATOM 4646 O O . SER D 1 57 ? 38.418 -12.217 -74.714 1 80.306 ? 56 SER D O 1 4 +ATOM 4647 C CB . SER D 1 57 ? 41.08 -11.729 -76.181 1 88.078 ? 56 SER D CB 1 4 +ATOM 4648 O OG . SER D 1 57 ? 41.9 -10.798 -76.893 1 79.255 ? 56 SER D OG 1 4 +ATOM 4649 N N . THR D 1 58 ? 38.168 -13.698 -76.427 1 91.608 ? 57 THR D N 1 4 +ATOM 4650 C CA . THR D 1 58 ? 37.361 -14.653 -75.675 1 86.852 ? 57 THR D CA 1 4 +ATOM 4651 C C . THR D 1 58 ? 37.978 -16.043 -75.795 1 74.804 ? 57 THR D C 1 4 +ATOM 4652 O O . THR D 1 58 ? 38.46 -16.396 -76.864 1 74.263 ? 57 THR D O 1 4 +ATOM 4653 C CB . THR D 1 58 ? 35.882 -14.64 -76.101 1 88.835 ? 57 THR D CB 1 4 +ATOM 4654 O OG1 . THR D 1 58 ? 35.669 -15.255 -77.379 1 84.471 ? 57 THR D OG1 1 4 +ATOM 4655 C CG2 . THR D 1 58 ? 35.302 -13.239 -76.01 1 87.759 ? 57 THR D CG2 1 4 +ATOM 4656 N N . TYR D 1 59 ? 37.947 -16.782 -74.673 1 73.716 ? 58 TYR D N 1 4 +ATOM 4657 C CA . TYR D 1 59 ? 38.406 -18.162 -74.54 1 82.977 ? 58 TYR D CA 1 4 +ATOM 4658 C C . TYR D 1 59 ? 37.27 -19.019 -73.966 1 89.614 ? 58 TYR D C 1 4 +ATOM 4659 O O . TYR D 1 59 ? 36.469 -18.544 -73.15 1 89.462 ? 58 TYR D O 1 4 +ATOM 4660 C CB . TYR D 1 59 ? 39.678 -18.215 -73.672 1 81.716 ? 58 TYR D CB 1 4 +ATOM 4661 C CG . TYR D 1 59 ? 40.733 -17.246 -74.197 1 79.603 ? 58 TYR D CG 1 4 +ATOM 4662 C CD1 . TYR D 1 59 ? 41.588 -17.601 -75.231 1 78.869 ? 58 TYR D CD1 1 4 +ATOM 4663 C CD2 . TYR D 1 59 ? 40.812 -15.953 -73.72 1 79.451 ? 58 TYR D CD2 1 4 +ATOM 4664 C CE1 . TYR D 1 59 ? 42.489 -16.712 -75.776 1 76.267 ? 58 TYR D CE1 1 4 +ATOM 4665 C CE2 . TYR D 1 59 ? 41.708 -15.048 -74.256 1 84.023 ? 58 TYR D CE2 1 4 +ATOM 4666 C CZ . TYR D 1 59 ? 42.546 -15.431 -75.283 1 81.396 ? 58 TYR D CZ 1 4 +ATOM 4667 O OH . TYR D 1 59 ? 43.434 -14.531 -75.783 1 101.393 ? 58 TYR D OH 1 4 +ATOM 4668 N N . TYR D 1 60 ? 37.217 -20.296 -74.387 1 98.157 ? 59 TYR D N 1 4 +ATOM 4669 C CA . TYR D 1 60 ? 36.181 -21.22 -73.934 1 103.437 ? 59 TYR D CA 1 4 +ATOM 4670 C C . TYR D 1 60 ? 36.786 -22.57 -73.547 1 107.332 ? 59 TYR D C 1 4 +ATOM 4671 O O . TYR D 1 60 ? 37.826 -22.975 -74.058 1 119.947 ? 59 TYR D O 1 4 +ATOM 4672 C CB . TYR D 1 60 ? 35.082 -21.407 -74.984 1 97.889 ? 59 TYR D CB 1 4 +ATOM 4673 C CG . TYR D 1 60 ? 34.358 -20.115 -75.336 1 94.207 ? 59 TYR D CG 1 4 +ATOM 4674 C CD1 . TYR D 1 60 ? 33.286 -19.651 -74.579 1 85.661 ? 59 TYR D CD1 1 4 +ATOM 4675 C CD2 . TYR D 1 60 ? 34.776 -19.345 -76.412 1 89.4 ? 59 TYR D CD2 1 4 +ATOM 4676 C CE1 . TYR D 1 60 ? 32.629 -18.478 -74.903 1 85.064 ? 59 TYR D CE1 1 4 +ATOM 4677 C CE2 . TYR D 1 60 ? 34.14 -18.161 -76.733 1 92.201 ? 59 TYR D CE2 1 4 +ATOM 4678 C CZ . TYR D 1 60 ? 33.067 -17.72 -75.978 1 94.708 ? 59 TYR D CZ 1 4 +ATOM 4679 O OH . TYR D 1 60 ? 32.451 -16.544 -76.319 1 96.756 ? 59 TYR D OH 1 4 +ATOM 4680 N N . ALA D 1 61 ? 36.114 -23.253 -72.614 1 98.505 ? 60 ALA D N 1 4 +ATOM 4681 C CA . ALA D 1 61 ? 36.478 -24.6 -72.23 1 98.041 ? 60 ALA D CA 1 4 +ATOM 4682 C C . ALA D 1 61 ? 36.022 -25.552 -73.321 1 107.971 ? 60 ALA D C 1 4 +ATOM 4683 O O . ALA D 1 61 ? 35.053 -25.243 -74.021 1 112.427 ? 60 ALA D O 1 4 +ATOM 4684 C CB . ALA D 1 61 ? 35.819 -24.944 -70.921 1 103.472 ? 60 ALA D CB 1 4 +ATOM 4685 N N . ASP D 1 62 ? 36.691 -26.714 -73.391 1 111.356 ? 61 ASP D N 1 4 +ATOM 4686 C CA . ASP D 1 62 ? 36.363 -27.734 -74.365 1 108.637 ? 61 ASP D CA 1 4 +ATOM 4687 C C . ASP D 1 62 ? 34.875 -28.1 -74.255 1 113.244 ? 61 ASP D C 1 4 +ATOM 4688 O O . ASP D 1 62 ? 34.212 -28.154 -75.287 1 111.263 ? 61 ASP D O 1 4 +ATOM 4689 C CB . ASP D 1 62 ? 37.408 -28.833 -74.305 1 101.576 ? 61 ASP D CB 1 4 +ATOM 4690 C CG . ASP D 1 62 ? 38.723 -28.517 -75.016 1 102.51 ? 61 ASP D CG 1 4 +ATOM 4691 O OD1 . ASP D 1 62 ? 38.694 -27.735 -75.998 1 97.349 ? 61 ASP D OD1 1 4 +ATOM 4692 O OD2 . ASP D 1 62 ? 39.779 -29.042 -74.576 1 98.176 ? 61 ASP D OD2 1 4 +ATOM 4693 N N . SER D 1 63 ? 34.331 -28.274 -73.032 1 116.512 ? 62 SER D N 1 4 +ATOM 4694 C CA . SER D 1 63 ? 32.961 -28.766 -72.826 1 114.484 ? 62 SER D CA 1 4 +ATOM 4695 C C . SER D 1 63 ? 31.864 -27.8 -73.297 1 107.504 ? 62 SER D C 1 4 +ATOM 4696 O O . SER D 1 63 ? 30.751 -28.214 -73.647 1 99.365 ? 62 SER D O 1 4 +ATOM 4697 C CB . SER D 1 63 ? 32.728 -29.168 -71.376 1 101.429 ? 62 SER D CB 1 4 +ATOM 4698 O OG . SER D 1 63 ? 33.284 -28.224 -70.472 1 89.136 ? 62 SER D OG 1 4 +ATOM 4699 N N . VAL D 1 64 ? 32.173 -26.502 -73.32 1 108.92 ? 63 VAL D N 1 4 +ATOM 4700 C CA . VAL D 1 64 ? 31.149 -25.505 -73.584 1 109.753 ? 63 VAL D CA 1 4 +ATOM 4701 C C . VAL D 1 64 ? 31.335 -24.862 -74.951 1 111.035 ? 63 VAL D C 1 4 +ATOM 4702 O O . VAL D 1 64 ? 30.578 -23.959 -75.278 1 120.536 ? 63 VAL D O 1 4 +ATOM 4703 C CB . VAL D 1 64 ? 31.086 -24.418 -72.496 1 104.224 ? 63 VAL D CB 1 4 +ATOM 4704 C CG1 . VAL D 1 64 ? 30.78 -25.027 -71.137 1 105.41 ? 63 VAL D CG1 1 4 +ATOM 4705 C CG2 . VAL D 1 64 ? 32.344 -23.55 -72.455 1 100.06 ? 63 VAL D CG2 1 4 +ATOM 4706 N N . LYS D 1 65 ? 32.31 -25.326 -75.742 1 112.977 ? 64 LYS D N 1 4 +ATOM 4707 C CA . LYS D 1 65 ? 32.592 -24.721 -77.037 1 114.131 ? 64 LYS D CA 1 4 +ATOM 4708 C C . LYS D 1 65 ? 31.393 -24.894 -77.965 1 113.016 ? 64 LYS D C 1 4 +ATOM 4709 O O . LYS D 1 65 ? 30.783 -25.96 -78.017 1 126.326 ? 64 LYS D O 1 4 +ATOM 4710 C CB . LYS D 1 65 ? 33.843 -25.301 -77.706 1 111.67 ? 64 LYS D CB 1 4 +ATOM 4711 C CG . LYS D 1 65 ? 35.14 -24.617 -77.338 1 108.498 ? 64 LYS D CG 1 4 +ATOM 4712 C CD . LYS D 1 65 ? 36.378 -25.353 -77.815 1 119.377 ? 64 LYS D CD 1 4 +ATOM 4713 C CE . LYS D 1 65 ? 37.562 -24.452 -77.816 1 125.611 ? 64 LYS D CE 1 4 +ATOM 4714 N NZ . LYS D 1 65 ? 38.607 -25.01 -78.668 1 140.78 ? 64 LYS D NZ 1 4 +ATOM 4715 N N . GLY D 1 66 ? 31.069 -23.831 -78.706 1 102.505 ? 65 GLY D N 1 4 +ATOM 4716 C CA . GLY D 1 66 ? 30.026 -23.895 -79.716 1 104.192 ? 65 GLY D CA 1 4 +ATOM 4717 C C . GLY D 1 66 ? 28.638 -23.633 -79.129 1 108.374 ? 65 GLY D C 1 4 +ATOM 4718 O O . GLY D 1 66 ? 27.716 -23.318 -79.875 1 115.375 ? 65 GLY D O 1 4 +ATOM 4719 N N . ARG D 1 67 ? 28.49 -23.733 -77.8 1 106.154 ? 66 ARG D N 1 4 +ATOM 4720 C CA . ARG D 1 67 ? 27.185 -23.643 -77.166 1 103.402 ? 66 ARG D CA 1 4 +ATOM 4721 C C . ARG D 1 67 ? 27.057 -22.417 -76.265 1 102.508 ? 66 ARG D C 1 4 +ATOM 4722 O O . ARG D 1 67 ? 25.964 -21.87 -76.147 1 104.151 ? 66 ARG D O 1 4 +ATOM 4723 C CB . ARG D 1 67 ? 26.961 -24.908 -76.348 1 93.908 ? 66 ARG D CB 1 4 +ATOM 4724 C CG . ARG D 1 67 ? 26.976 -26.167 -77.191 1 87.701 ? 66 ARG D CG 1 4 +ATOM 4725 C CD . ARG D 1 67 ? 26.59 -27.338 -76.313 1 88.027 ? 66 ARG D CD 1 4 +ATOM 4726 N NE . ARG D 1 67 ? 27.421 -27.521 -75.118 1 86.304 ? 66 ARG D NE 1 4 +ATOM 4727 C CZ . ARG D 1 67 ? 26.932 -27.458 -73.883 1 91.087 ? 66 ARG D CZ 1 4 +ATOM 4728 N NH1 . ARG D 1 67 ? 25.631 -27.271 -73.674 1 87.393 ? 66 ARG D NH1 1 4 +ATOM 4729 N NH2 . ARG D 1 67 ? 27.746 -27.574 -72.849 1 93.41 ? 66 ARG D NH2 1 4 +ATOM 4730 N N . PHE D 1 68 ? 28.155 -22.018 -75.614 1 98.384 ? 67 PHE D N 1 4 +ATOM 4731 C CA . PHE D 1 68 ? 28.14 -20.892 -74.692 1 101.955 ? 67 PHE D CA 1 4 +ATOM 4732 C C . PHE D 1 68 ? 28.836 -19.687 -75.324 1 100.317 ? 67 PHE D C 1 4 +ATOM 4733 O O . PHE D 1 68 ? 29.796 -19.854 -76.065 1 106.116 ? 67 PHE D O 1 4 +ATOM 4734 C CB . PHE D 1 68 ? 28.826 -21.303 -73.383 1 99.505 ? 67 PHE D CB 1 4 +ATOM 4735 C CG . PHE D 1 68 ? 28.043 -22.231 -72.462 1 98.906 ? 67 PHE D CG 1 4 +ATOM 4736 C CD1 . PHE D 1 68 ? 27.031 -23.057 -72.937 1 98.356 ? 67 PHE D CD1 1 4 +ATOM 4737 C CD2 . PHE D 1 68 ? 28.358 -22.297 -71.109 1 97.02 ? 67 PHE D CD2 1 4 +ATOM 4738 C CE1 . PHE D 1 68 ? 26.346 -23.896 -72.074 1 99.826 ? 67 PHE D CE1 1 4 +ATOM 4739 C CE2 . PHE D 1 68 ? 27.664 -23.139 -70.254 1 94 ? 67 PHE D CE2 1 4 +ATOM 4740 C CZ . PHE D 1 68 ? 26.675 -23.956 -70.743 1 94.907 ? 67 PHE D CZ 1 4 +ATOM 4741 N N . THR D 1 69 ? 28.372 -18.473 -74.994 1 96.962 ? 68 THR D N 1 4 +ATOM 4742 C CA . THR D 1 69 ? 29.002 -17.253 -75.476 1 94.902 ? 68 THR D CA 1 4 +ATOM 4743 C C . THR D 1 69 ? 29.202 -16.282 -74.322 1 96.826 ? 68 THR D C 1 4 +ATOM 4744 O O . THR D 1 69 ? 28.218 -15.806 -73.758 1 89.698 ? 68 THR D O 1 4 +ATOM 4745 C CB . THR D 1 69 ? 28.136 -16.614 -76.553 1 93.598 ? 68 THR D CB 1 4 +ATOM 4746 O OG1 . THR D 1 69 ? 28.294 -17.492 -77.658 1 96.191 ? 68 THR D OG1 1 4 +ATOM 4747 C CG2 . THR D 1 69 ? 28.6 -15.231 -76.977 1 88.705 ? 68 THR D CG2 1 4 +ATOM 4748 N N . ILE D 1 70 ? 30.471 -15.935 -74.055 1 93.418 ? 69 ILE D N 1 4 +ATOM 4749 C CA . ILE D 1 70 ? 30.792 -14.951 -73.032 1 87.379 ? 69 ILE D CA 1 4 +ATOM 4750 C C . ILE D 1 70 ? 30.912 -13.569 -73.68 1 91.891 ? 69 ILE D C 1 4 +ATOM 4751 O O . ILE D 1 70 ? 31.586 -13.397 -74.697 1 93.131 ? 69 ILE D O 1 4 +ATOM 4752 C CB . ILE D 1 70 ? 32.04 -15.334 -72.217 1 85.516 ? 69 ILE D CB 1 4 +ATOM 4753 C CG1 . ILE D 1 70 ? 32.249 -14.372 -71.05 1 80.235 ? 69 ILE D CG1 1 4 +ATOM 4754 C CG2 . ILE D 1 70 ? 33.306 -15.425 -73.075 1 93.948 ? 69 ILE D CG2 1 4 +ATOM 4755 C CD1 . ILE D 1 70 ? 33.273 -14.86 -70.052 1 73.528 ? 69 ILE D CD1 1 4 +ATOM 4756 N N . SER D 1 71 ? 30.211 -12.587 -73.089 1 92.211 ? 70 SER D N 1 4 +ATOM 4757 C CA . SER D 1 71 ? 30.158 -11.215 -73.58 1 86.762 ? 70 SER D CA 1 4 +ATOM 4758 C C . SER D 1 71 ? 30.181 -10.234 -72.414 1 83.679 ? 70 SER D C 1 4 +ATOM 4759 O O . SER D 1 71 ? 30.049 -10.659 -71.269 1 102.571 ? 70 SER D O 1 4 +ATOM 4760 C CB . SER D 1 71 ? 28.941 -10.995 -74.41 1 91.353 ? 70 SER D CB 1 4 +ATOM 4761 O OG . SER D 1 71 ? 27.791 -11.495 -73.752 1 102.596 ? 70 SER D OG 1 4 +ATOM 4762 N N . ARG D 1 72 ? 30.354 -8.937 -72.707 1 77.144 ? 71 ARG D N 1 4 +ATOM 4763 C CA . ARG D 1 72 ? 30.395 -7.936 -71.651 1 81.485 ? 71 ARG D CA 1 4 +ATOM 4764 C C . ARG D 1 72 ? 29.98 -6.566 -72.173 1 84.965 ? 71 ARG D C 1 4 +ATOM 4765 O O . ARG D 1 72 ? 30.174 -6.245 -73.338 1 85.9 ? 71 ARG D O 1 4 +ATOM 4766 C CB . ARG D 1 72 ? 31.766 -7.802 -70.975 1 75.129 ? 71 ARG D CB 1 4 +ATOM 4767 C CG . ARG D 1 72 ? 32.879 -7.261 -71.854 1 70.711 ? 71 ARG D CG 1 4 +ATOM 4768 C CD . ARG D 1 72 ? 34.218 -7.52 -71.213 1 69.747 ? 71 ARG D CD 1 4 +ATOM 4769 N NE . ARG D 1 72 ? 34.418 -6.742 -69.977 1 69.926 ? 71 ARG D NE 1 4 +ATOM 4770 C CZ . ARG D 1 72 ? 35.314 -7.02 -69.001 1 66.209 ? 71 ARG D CZ 1 4 +ATOM 4771 N NH1 . ARG D 1 72 ? 36.055 -8.123 -69.025 1 68.593 ? 71 ARG D NH1 1 4 +ATOM 4772 N NH2 . ARG D 1 72 ? 35.459 -6.225 -67.959 1 59.642 ? 71 ARG D NH2 1 4 +ATOM 4773 N N . ASP D 1 73 ? 29.392 -5.776 -71.269 1 92.352 ? 72 ASP D N 1 4 +ATOM 4774 C CA . ASP D 1 73 ? 28.949 -4.424 -71.545 1 89.669 ? 72 ASP D CA 1 4 +ATOM 4775 C C . ASP D 1 73 ? 29.655 -3.523 -70.543 1 82.434 ? 72 ASP D C 1 4 +ATOM 4776 O O . ASP D 1 73 ? 29.299 -3.518 -69.369 1 80.488 ? 72 ASP D O 1 4 +ATOM 4777 C CB . ASP D 1 73 ? 27.435 -4.331 -71.432 1 84.622 ? 72 ASP D CB 1 4 +ATOM 4778 C CG . ASP D 1 73 ? 26.789 -3.075 -71.993 1 94.385 ? 72 ASP D CG 1 4 +ATOM 4779 O OD1 . ASP D 1 73 ? 27.519 -2.112 -72.336 1 85.573 ? 72 ASP D OD1 1 4 +ATOM 4780 O OD2 . ASP D 1 73 ? 25.55 -3.086 -72.113 1 117.795 ? 72 ASP D OD2 1 4 +ATOM 4781 N N . ASN D 1 74 ? 30.698 -2.818 -70.979 1 77.459 ? 73 ASN D N 1 4 +ATOM 4782 C CA . ASN D 1 74 ? 31.487 -2.091 -70.005 1 82.844 ? 73 ASN D CA 1 4 +ATOM 4783 C C . ASN D 1 74 ? 30.705 -0.85 -69.569 1 84.761 ? 73 ASN D C 1 4 +ATOM 4784 O O . ASN D 1 74 ? 30.957 -0.318 -68.486 1 88.414 ? 73 ASN D O 1 4 +ATOM 4785 C CB . ASN D 1 74 ? 32.894 -1.783 -70.515 1 86.899 ? 73 ASN D CB 1 4 +ATOM 4786 C CG . ASN D 1 74 ? 33.783 -2.996 -70.637 1 81.317 ? 73 ASN D CG 1 4 +ATOM 4787 O OD1 . ASN D 1 74 ? 33.54 -4.035 -70.029 1 72.188 ? 73 ASN D OD1 1 4 +ATOM 4788 N ND2 . ASN D 1 74 ? 34.834 -2.892 -71.425 1 99.507 ? 73 ASN D ND2 1 4 +ATOM 4789 N N . SER D 1 75 ? 29.783 -0.374 -70.425 1 91.403 ? 74 SER D N 1 4 +ATOM 4790 C CA . SER D 1 75 ? 28.921 0.751 -70.084 1 102.072 ? 74 SER D CA 1 4 +ATOM 4791 C C . SER D 1 75 ? 27.968 0.402 -68.935 1 105.272 ? 74 SER D C 1 4 +ATOM 4792 O O . SER D 1 75 ? 27.586 1.269 -68.166 1 115.429 ? 74 SER D O 1 4 +ATOM 4793 C CB . SER D 1 75 ? 28.164 1.238 -71.291 1 103.668 ? 74 SER D CB 1 4 +ATOM 4794 O OG . SER D 1 75 ? 27.345 0.216 -71.843 1 97.984 ? 74 SER D OG 1 4 +ATOM 4795 N N . LYS D 1 76 ? 27.57 -0.868 -68.823 1 109.287 ? 75 LYS D N 1 4 +ATOM 4796 C CA . LYS D 1 76 ? 26.672 -1.324 -67.77 1 100.939 ? 75 LYS D CA 1 4 +ATOM 4797 C C . LYS D 1 76 ? 27.404 -2.05 -66.637 1 92.665 ? 75 LYS D C 1 4 +ATOM 4798 O O . LYS D 1 76 ? 26.753 -2.51 -65.704 1 86.997 ? 75 LYS D O 1 4 +ATOM 4799 C CB . LYS D 1 76 ? 25.627 -2.261 -68.394 1 110.696 ? 75 LYS D CB 1 4 +ATOM 4800 C CG . LYS D 1 76 ? 24.436 -1.52 -68.966 1 116.408 ? 75 LYS D CG 1 4 +ATOM 4801 C CD . LYS D 1 76 ? 23.337 -2.41 -69.525 1 123.476 ? 75 LYS D CD 1 4 +ATOM 4802 C CE . LYS D 1 76 ? 22.228 -1.59 -70.09 1 128.242 ? 75 LYS D CE 1 4 +ATOM 4803 N NZ . LYS D 1 76 ? 22.736 -0.685 -71.126 1 128.916 ? 75 LYS D NZ 1 4 +ATOM 4804 N N . ASN D 1 77 ? 28.734 -2.203 -66.731 1 95.5 ? 76 ASN D N 1 4 +ATOM 4805 C CA . ASN D 1 77 ? 29.545 -2.98 -65.785 1 88.728 ? 76 ASN D CA 1 4 +ATOM 4806 C C . ASN D 1 77 ? 28.964 -4.37 -65.526 1 78.479 ? 76 ASN D C 1 4 +ATOM 4807 O O . ASN D 1 77 ? 29.027 -4.856 -64.408 1 68.99 ? 76 ASN D O 1 4 +ATOM 4808 C CB . ASN D 1 77 ? 29.791 -2.234 -64.473 1 91.279 ? 76 ASN D CB 1 4 +ATOM 4809 C CG . ASN D 1 77 ? 30.711 -1.042 -64.652 1 97.224 ? 76 ASN D CG 1 4 +ATOM 4810 O OD1 . ASN D 1 77 ? 31.408 -0.936 -65.667 1 120.08 ? 76 ASN D OD1 1 4 +ATOM 4811 N ND2 . ASN D 1 77 ? 30.723 -0.114 -63.705 1 90.424 ? 76 ASN D ND2 1 4 +ATOM 4812 N N . THR D 1 78 ? 28.475 -5.019 -66.591 1 80.746 ? 77 THR D N 1 4 +ATOM 4813 C CA . THR D 1 78 ? 27.813 -6.31 -66.516 1 84.037 ? 77 THR D CA 1 4 +ATOM 4814 C C . THR D 1 78 ? 28.507 -7.293 -67.461 1 72.016 ? 77 THR D C 1 4 +ATOM 4815 O O . THR D 1 78 ? 28.937 -6.921 -68.545 1 71.558 ? 77 THR D O 1 4 +ATOM 4816 C CB . THR D 1 78 ? 26.326 -6.143 -66.865 1 89.231 ? 77 THR D CB 1 4 +ATOM 4817 O OG1 . THR D 1 78 ? 25.794 -5.046 -66.124 1 87.517 ? 77 THR D OG1 1 4 +ATOM 4818 C CG2 . THR D 1 78 ? 25.491 -7.353 -66.485 1 87.058 ? 77 THR D CG2 1 4 +ATOM 4819 N N . LEU D 1 79 ? 28.583 -8.562 -67.041 1 63.451 ? 78 LEU D N 1 4 +ATOM 4820 C CA . LEU D 1 79 ? 29.21 -9.636 -67.794 1 61.322 ? 78 LEU D CA 1 4 +ATOM 4821 C C . LEU D 1 79 ? 28.143 -10.673 -68.056 1 66.528 ? 78 LEU D C 1 4 +ATOM 4822 O O . LEU D 1 79 ? 27.427 -11.023 -67.129 1 81.775 ? 78 LEU D O 1 4 +ATOM 4823 C CB . LEU D 1 79 ? 30.342 -10.22 -66.95 1 64.131 ? 78 LEU D CB 1 4 +ATOM 4824 C CG . LEU D 1 79 ? 30.957 -11.531 -67.429 1 67.661 ? 78 LEU D CG 1 4 +ATOM 4825 C CD1 . LEU D 1 79 ? 31.96 -11.272 -68.507 1 67.183 ? 78 LEU D CD1 1 4 +ATOM 4826 C CD2 . LEU D 1 79 ? 31.58 -12.256 -66.235 1 77.213 ? 78 LEU D CD2 1 4 +ATOM 4827 N N . TYR D 1 80 ? 28.048 -11.175 -69.292 1 78.902 ? 79 TYR D N 1 4 +ATOM 4828 C CA . TYR D 1 80 ? 26.971 -12.09 -69.67 1 76.69 ? 79 TYR D CA 1 4 +ATOM 4829 C C . TYR D 1 80 ? 27.538 -13.446 -70.062 1 76.338 ? 79 TYR D C 1 4 +ATOM 4830 O O . TYR D 1 80 ? 28.7 -13.545 -70.449 1 76.83 ? 79 TYR D O 1 4 +ATOM 4831 C CB . TYR D 1 80 ? 26.095 -11.573 -70.812 1 73.319 ? 79 TYR D CB 1 4 +ATOM 4832 C CG . TYR D 1 80 ? 25.468 -10.219 -70.508 1 88.239 ? 79 TYR D CG 1 4 +ATOM 4833 C CD1 . TYR D 1 80 ? 24.339 -10.119 -69.709 1 93.809 ? 79 TYR D CD1 1 4 +ATOM 4834 C CD2 . TYR D 1 80 ? 26.023 -9.036 -70.993 1 97.117 ? 79 TYR D CD2 1 4 +ATOM 4835 C CE1 . TYR D 1 80 ? 23.778 -8.887 -69.411 1 110.779 ? 79 TYR D CE1 1 4 +ATOM 4836 C CE2 . TYR D 1 80 ? 25.468 -7.803 -70.7 1 99.981 ? 79 TYR D CE2 1 4 +ATOM 4837 C CZ . TYR D 1 80 ? 24.339 -7.723 -69.908 1 106.701 ? 79 TYR D CZ 1 4 +ATOM 4838 O OH . TYR D 1 80 ? 23.753 -6.52 -69.614 1 114.011 ? 79 TYR D OH 1 4 +ATOM 4839 N N . LEU D 1 81 ? 26.688 -14.472 -69.915 1 89.226 ? 80 LEU D N 1 4 +ATOM 4840 C CA . LEU D 1 81 ? 26.959 -15.819 -70.39 1 90.352 ? 80 LEU D CA 1 4 +ATOM 4841 C C . LEU D 1 81 ? 25.712 -16.339 -71.096 1 87.134 ? 80 LEU D C 1 4 +ATOM 4842 O O . LEU D 1 81 ? 24.693 -16.534 -70.444 1 74.904 ? 80 LEU D O 1 4 +ATOM 4843 C CB . LEU D 1 81 ? 27.36 -16.759 -69.257 1 81.12 ? 80 LEU D CB 1 4 +ATOM 4844 C CG . LEU D 1 81 ? 27.837 -18.138 -69.72 1 87.305 ? 80 LEU D CG 1 4 +ATOM 4845 C CD1 . LEU D 1 81 ? 29.093 -17.997 -70.598 1 91.677 ? 80 LEU D CD1 1 4 +ATOM 4846 C CD2 . LEU D 1 81 ? 28.098 -19.083 -68.555 1 86.298 ? 80 LEU D CD2 1 4 +ATOM 4847 N N . GLN D 1 82 ? 25.812 -16.553 -72.416 1 82.578 ? 81 GLN D N 1 4 +ATOM 4848 C CA . GLN D 1 82 ? 24.681 -17.038 -73.188 1 90.97 ? 81 GLN D CA 1 4 +ATOM 4849 C C . GLN D 1 82 ? 24.847 -18.543 -73.366 1 98.94 ? 81 GLN D C 1 4 +ATOM 4850 O O . GLN D 1 82 ? 25.59 -18.986 -74.237 1 101.955 ? 81 GLN D O 1 4 +ATOM 4851 C CB . GLN D 1 82 ? 24.559 -16.387 -74.567 1 94.115 ? 81 GLN D CB 1 4 +ATOM 4852 C CG . GLN D 1 82 ? 23.274 -16.737 -75.319 1 93.896 ? 81 GLN D CG 1 4 +ATOM 4853 C CD . GLN D 1 82 ? 22.029 -16.227 -74.622 1 101.617 ? 81 GLN D CD 1 4 +ATOM 4854 O OE1 . GLN D 1 82 ? 21.184 -16.992 -74.14 1 94.284 ? 81 GLN D OE1 1 4 +ATOM 4855 N NE2 . GLN D 1 82 ? 21.914 -14.91 -74.517 1 112.148 ? 81 GLN D NE2 1 4 +ATOM 4856 N N . MET D 1 83 ? 24.12 -19.315 -72.55 1 98.771 ? 82 MET D N 1 4 +ATOM 4857 C CA . MET D 1 83 ? 24.158 -20.762 -72.604 1 91.03 ? 82 MET D CA 1 4 +ATOM 4858 C C . MET D 1 83 ? 23.053 -21.237 -73.544 1 99.356 ? 82 MET D C 1 4 +ATOM 4859 O O . MET D 1 83 ? 21.878 -20.995 -73.28 1 103.65 ? 82 MET D O 1 4 +ATOM 4860 C CB . MET D 1 83 ? 23.965 -21.341 -71.202 1 88.701 ? 82 MET D CB 1 4 +ATOM 4861 C CG . MET D 1 83 ? 24.924 -20.78 -70.172 1 91.382 ? 82 MET D CG 1 4 +ATOM 4862 S SD . MET D 1 83 ? 24.831 -21.615 -68.576 0.91 89.525 ? 82 MET D SD 1 4 +ATOM 4863 C CE . MET D 1 83 ? 23.145 -21.176 -68.13 1 88.203 ? 82 MET D CE 1 4 +ATOM 4864 N N . ASN D 1 84 A 23.448 -21.92 -74.636 1 101.501 ? 82 ASN D N 1 4 +ATOM 4865 C CA . ASN D 1 84 A 22.509 -22.516 -75.578 1 99.009 ? 82 ASN D CA 1 4 +ATOM 4866 C C . ASN D 1 84 A 22.702 -24.027 -75.631 1 104.201 ? 82 ASN D C 1 4 +ATOM 4867 O O . ASN D 1 84 A 23.764 -24.523 -75.264 1 120.241 ? 82 ASN D O 1 4 +ATOM 4868 C CB . ASN D 1 84 A 22.675 -21.938 -76.971 1 99.363 ? 82 ASN D CB 1 4 +ATOM 4869 C CG . ASN D 1 84 A 22.563 -20.437 -76.965 1 102.421 ? 82 ASN D CG 1 4 +ATOM 4870 O OD1 . ASN D 1 84 A 23.41 -19.762 -77.552 1 123.174 ? 82 ASN D OD1 1 4 +ATOM 4871 N ND2 . ASN D 1 84 A 21.53 -19.899 -76.336 1 101.277 ? 82 ASN D ND2 1 4 +ATOM 4872 N N . SER D 1 85 B 21.678 -24.747 -76.1 1 98.752 ? 82 SER D N 1 4 +ATOM 4873 C CA . SER D 1 85 B 21.754 -26.19 -76.278 1 103.594 ? 82 SER D CA 1 4 +ATOM 4874 C C . SER D 1 85 B 22.207 -26.886 -74.994 1 100.666 ? 82 SER D C 1 4 +ATOM 4875 O O . SER D 1 85 B 22.955 -27.861 -75.051 1 100.962 ? 82 SER D O 1 4 +ATOM 4876 C CB . SER D 1 85 B 22.648 -26.562 -77.435 1 109.837 ? 82 SER D CB 1 4 +ATOM 4877 O OG . SER D 1 85 B 22.115 -26.107 -78.67 1 120.145 ? 82 SER D OG 1 4 +ATOM 4878 N N . LEU D 1 86 C 21.692 -26.41 -73.853 1 97.229 ? 82 LEU D N 1 4 +ATOM 4879 C CA . LEU D 1 86 C 22.077 -26.899 -72.539 1 97.93 ? 82 LEU D CA 1 4 +ATOM 4880 C C . LEU D 1 86 C 21.849 -28.391 -72.424 1 108.227 ? 82 LEU D C 1 4 +ATOM 4881 O O . LEU D 1 86 C 20.897 -28.918 -72.979 1 132.014 ? 82 LEU D O 1 4 +ATOM 4882 C CB . LEU D 1 86 C 21.251 -26.197 -71.472 1 99.784 ? 82 LEU D CB 1 4 +ATOM 4883 C CG . LEU D 1 86 C 21.736 -24.792 -71.129 1 107.861 ? 82 LEU D CG 1 4 +ATOM 4884 C CD1 . LEU D 1 86 C 20.689 -23.998 -70.371 1 107.344 ? 82 LEU D CD1 1 4 +ATOM 4885 C CD2 . LEU D 1 86 C 23.066 -24.909 -70.362 1 112.687 ? 82 LEU D CD2 1 4 +ATOM 4886 N N . ARG D 1 87 ? 22.71 -29.035 -71.638 1 110.978 ? 83 ARG D N 1 4 +ATOM 4887 C CA . ARG D 1 87 ? 22.597 -30.451 -71.348 1 117.776 ? 83 ARG D CA 1 4 +ATOM 4888 C C . ARG D 1 87 ? 22.453 -30.604 -69.843 1 126.264 ? 83 ARG D C 1 4 +ATOM 4889 O O . ARG D 1 87 ? 22.702 -29.647 -69.108 1 148.666 ? 83 ARG D O 1 4 +ATOM 4890 C CB . ARG D 1 87 ? 23.853 -31.162 -71.858 1 118.607 ? 83 ARG D CB 1 4 +ATOM 4891 C CG . ARG D 1 87 ? 24.211 -30.926 -73.318 1 118.38 ? 83 ARG D CG 1 4 +ATOM 4892 C CD . ARG D 1 87 ? 25.644 -31.355 -73.549 1 115.363 ? 83 ARG D CD 1 4 +ATOM 4893 N NE . ARG D 1 87 ? 25.998 -31.096 -74.946 1 122.123 ? 83 ARG D NE 1 4 +ATOM 4894 C CZ . ARG D 1 87 ? 27.234 -30.972 -75.407 1 125.431 ? 83 ARG D CZ 1 4 +ATOM 4895 N NH1 . ARG D 1 87 ? 28.269 -31.021 -74.58 1 120.526 ? 83 ARG D NH1 1 4 +ATOM 4896 N NH2 . ARG D 1 87 ? 27.417 -30.781 -76.703 1 125.977 ? 83 ARG D NH2 1 4 +ATOM 4897 N N . ALA D 1 88 ? 22.079 -31.813 -69.395 1 129.573 ? 84 ALA D N 1 4 +ATOM 4898 C CA . ALA D 1 88 ? 21.936 -32.084 -67.968 1 114.699 ? 84 ALA D CA 1 4 +ATOM 4899 C C . ALA D 1 88 ? 23.255 -31.804 -67.251 1 105.287 ? 84 ALA D C 1 4 +ATOM 4900 O O . ALA D 1 88 ? 23.24 -31.255 -66.161 1 99.362 ? 84 ALA D O 1 4 +ATOM 4901 C CB . ALA D 1 88 ? 21.45 -33.499 -67.716 1 105.149 ? 84 ALA D CB 1 4 +ATOM 4902 N N . GLU D 1 89 ? 24.373 -32.149 -67.909 1 109.137 ? 85 GLU D N 1 4 +ATOM 4903 C CA . GLU D 1 89 ? 25.728 -32.036 -67.383 1 102.863 ? 85 GLU D CA 1 4 +ATOM 4904 C C . GLU D 1 89 ? 26.08 -30.594 -67.012 1 96.046 ? 85 GLU D C 1 4 +ATOM 4905 O O . GLU D 1 89 ? 26.9 -30.359 -66.133 1 98.427 ? 85 GLU D O 1 4 +ATOM 4906 C CB . GLU D 1 89 ? 26.708 -32.625 -68.402 1 115.646 ? 85 GLU D CB 1 4 +ATOM 4907 C CG . GLU D 1 89 ? 26.435 -34.1 -68.717 1 130.454 ? 85 GLU D CG 1 4 +ATOM 4908 C CD . GLU D 1 89 ? 25.728 -34.398 -70.031 1 143.434 ? 85 GLU D CD 1 4 +ATOM 4909 O OE1 . GLU D 1 89 ? 25.079 -35.459 -70.201 1 150.337 ? 85 GLU D OE1 1 4 +ATOM 4910 O OE2 . GLU D 1 89 ? 25.888 -33.549 -70.923 1 150.795 ? 85 GLU D OE2 1 4 +ATOM 4911 N N . ASP D 1 90 ? 25.451 -29.622 -67.67 1 99.245 ? 86 ASP D N 1 4 +ATOM 4912 C CA . ASP D 1 90 ? 25.724 -28.22 -67.414 1 89.658 ? 86 ASP D CA 1 4 +ATOM 4913 C C . ASP D 1 90 ? 25.1 -27.754 -66.106 1 90.34 ? 86 ASP D C 1 4 +ATOM 4914 O O . ASP D 1 90 ? 25.06 -26.567 -65.853 1 104.533 ? 86 ASP D O 1 4 +ATOM 4915 C CB . ASP D 1 90 ? 25.194 -27.364 -68.55 1 89.142 ? 86 ASP D CB 1 4 +ATOM 4916 C CG . ASP D 1 90 ? 25.863 -27.634 -69.89 1 91.937 ? 86 ASP D CG 1 4 +ATOM 4917 O OD1 . ASP D 1 90 ? 27.1 -27.73 -69.876 1 88.782 ? 86 ASP D OD1 1 4 +ATOM 4918 O OD2 . ASP D 1 90 ? 25.155 -27.755 -70.929 1 84.842 ? 86 ASP D OD2 1 4 +ATOM 4919 N N . THR D 1 91 ? 24.565 -28.661 -65.294 1 89.365 ? 87 THR D N 1 4 +ATOM 4920 C CA . THR D 1 91 ? 23.977 -28.264 -64.031 1 84.427 ? 87 THR D CA 1 4 +ATOM 4921 C C . THR D 1 91 ? 25.14 -27.999 -63.092 1 85.246 ? 87 THR D C 1 4 +ATOM 4922 O O . THR D 1 91 ? 25.998 -28.855 -62.896 1 84.212 ? 87 THR D O 1 4 +ATOM 4923 C CB . THR D 1 91 ? 23.038 -29.352 -63.513 1 84.897 ? 87 THR D CB 1 4 +ATOM 4924 O OG1 . THR D 1 91 ? 21.961 -29.41 -64.445 1 93.228 ? 87 THR D OG1 1 4 +ATOM 4925 C CG2 . THR D 1 91 ? 22.48 -29.062 -62.131 1 82.644 ? 87 THR D CG2 1 4 +ATOM 4926 N N . ALA D 1 92 ? 25.136 -26.796 -62.524 1 87.821 ? 88 ALA D N 1 4 +ATOM 4927 C CA . ALA D 1 92 ? 26.197 -26.37 -61.637 1 85.347 ? 88 ALA D CA 1 4 +ATOM 4928 C C . ALA D 1 92 ? 25.828 -25.023 -61.022 1 85.176 ? 88 ALA D C 1 4 +ATOM 4929 O O . ALA D 1 92 ? 24.928 -24.339 -61.501 1 82.653 ? 88 ALA D O 1 4 +ATOM 4930 C CB . ALA D 1 92 ? 27.473 -26.296 -62.449 1 87.695 ? 88 ALA D CB 1 4 +ATOM 4931 N N . VAL D 1 93 ? 26.541 -24.624 -59.972 1 82.711 ? 89 VAL D N 1 4 +ATOM 4932 C CA . VAL D 1 93 ? 26.485 -23.239 -59.546 1 82.643 ? 89 VAL D CA 1 4 +ATOM 4933 C C . VAL D 1 93 ? 27.449 -22.471 -60.446 1 82.811 ? 89 VAL D C 1 4 +ATOM 4934 O O . VAL D 1 93 ? 28.604 -22.858 -60.565 1 71.216 ? 89 VAL D O 1 4 +ATOM 4935 C CB . VAL D 1 93 ? 26.798 -23.048 -58.045 1 82.525 ? 89 VAL D CB 1 4 +ATOM 4936 C CG1 . VAL D 1 93 ? 27.074 -21.596 -57.677 1 91.679 ? 89 VAL D CG1 1 4 +ATOM 4937 C CG2 . VAL D 1 93 ? 25.657 -23.534 -57.178 1 75.523 ? 89 VAL D CG2 1 4 +ATOM 4938 N N . TYR D 1 94 ? 26.959 -21.406 -61.094 1 86.672 ? 90 TYR D N 1 4 +ATOM 4939 C CA . TYR D 1 94 ? 27.781 -20.607 -61.989 1 82.068 ? 90 TYR D CA 1 4 +ATOM 4940 C C . TYR D 1 94 ? 28.263 -19.337 -61.285 1 83.166 ? 90 TYR D C 1 4 +ATOM 4941 O O . TYR D 1 94 ? 27.483 -18.397 -61.05 1 70.463 ? 90 TYR D O 1 4 +ATOM 4942 C CB . TYR D 1 94 ? 26.994 -20.298 -63.263 1 82.171 ? 90 TYR D CB 1 4 +ATOM 4943 C CG . TYR D 1 94 ? 26.941 -21.474 -64.22 1 89.46 ? 90 TYR D CG 1 4 +ATOM 4944 C CD1 . TYR D 1 94 ? 26.013 -22.495 -64.056 1 94.437 ? 90 TYR D CD1 1 4 +ATOM 4945 C CD2 . TYR D 1 94 ? 27.845 -21.571 -65.27 1 89.127 ? 90 TYR D CD2 1 4 +ATOM 4946 C CE1 . TYR D 1 94 ? 25.983 -23.577 -64.919 1 92.941 ? 90 TYR D CE1 1 4 +ATOM 4947 C CE2 . TYR D 1 94 ? 27.809 -22.632 -66.152 1 89.793 ? 90 TYR D CE2 1 4 +ATOM 4948 C CZ . TYR D 1 94 ? 26.885 -23.641 -65.965 1 90.797 ? 90 TYR D CZ 1 4 +ATOM 4949 O OH . TYR D 1 94 ? 26.893 -24.685 -66.833 1 85.11 ? 90 TYR D OH 1 4 +ATOM 4950 N N . TYR D 1 95 ? 29.586 -19.31 -61.018 1 77.334 ? 91 TYR D N 1 4 +ATOM 4951 C CA . TYR D 1 95 ? 30.266 -18.164 -60.438 1 74.686 ? 91 TYR D CA 1 4 +ATOM 4952 C C . TYR D 1 95 ? 30.875 -17.258 -61.508 1 78.083 ? 91 TYR D C 1 4 +ATOM 4953 O O . TYR D 1 95 ? 31.366 -17.771 -62.504 1 97.49 ? 91 TYR D O 1 4 +ATOM 4954 C CB . TYR D 1 95 ? 31.43 -18.672 -59.602 1 70.441 ? 91 TYR D CB 1 4 +ATOM 4955 C CG . TYR D 1 95 ? 31.064 -19.515 -58.395 1 79.368 ? 91 TYR D CG 1 4 +ATOM 4956 C CD1 . TYR D 1 95 ? 30.693 -18.933 -57.195 1 79.979 ? 91 TYR D CD1 1 4 +ATOM 4957 C CD2 . TYR D 1 95 ? 31.201 -20.894 -58.43 1 90.877 ? 91 TYR D CD2 1 4 +ATOM 4958 C CE1 . TYR D 1 95 ? 30.4 -19.701 -56.083 1 83.313 ? 91 TYR D CE1 1 4 +ATOM 4959 C CE2 . TYR D 1 95 ? 30.952 -21.676 -57.314 1 84.575 ? 91 TYR D CE2 1 4 +ATOM 4960 C CZ . TYR D 1 95 ? 30.556 -21.074 -56.138 1 83.131 ? 91 TYR D CZ 1 4 +ATOM 4961 O OH . TYR D 1 95 ? 30.268 -21.854 -55.061 1 101.825 ? 91 TYR D OH 1 4 +ATOM 4962 N N . CYS D 1 96 ? 30.877 -15.931 -61.287 1 75.703 ? 92 CYS D N 1 4 +ATOM 4963 C CA . CYS D 1 96 ? 31.679 -15.006 -62.085 1 77.957 ? 92 CYS D CA 1 4 +ATOM 4964 C C . CYS D 1 96 ? 32.853 -14.52 -61.242 1 70.951 ? 92 CYS D C 1 4 +ATOM 4965 O O . CYS D 1 96 ? 32.673 -14.226 -60.061 1 66.299 ? 92 CYS D O 1 4 +ATOM 4966 C CB . CYS D 1 96 ? 30.865 -13.838 -62.632 1 83.667 ? 92 CYS D CB 1 4 +ATOM 4967 S SG . CYS D 1 96 ? 30.296 -12.684 -61.355 1 91.102 ? 92 CYS D SG 1 4 +ATOM 4968 N N . ALA D 1 97 ? 34.052 -14.493 -61.841 1 68.583 ? 93 ALA D N 1 4 +ATOM 4969 C CA . ALA D 1 97 ? 35.263 -14.177 -61.098 1 71.118 ? 93 ALA D CA 1 4 +ATOM 4970 C C . ALA D 1 97 ? 36.012 -13.017 -61.76 1 72.344 ? 93 ALA D C 1 4 +ATOM 4971 O O . ALA D 1 97 ? 36.047 -12.889 -62.972 1 70.074 ? 93 ALA D O 1 4 +ATOM 4972 C CB . ALA D 1 97 ? 36.143 -15.4 -60.959 1 68.397 ? 93 ALA D CB 1 4 +ATOM 4973 N N . LYS D 1 98 ? 36.583 -12.149 -60.921 1 78.904 ? 94 LYS D N 1 4 +ATOM 4974 C CA . LYS D 1 98 ? 37.465 -11.078 -61.346 1 79.386 ? 94 LYS D CA 1 4 +ATOM 4975 C C . LYS D 1 98 ? 38.896 -11.6 -61.263 1 77.149 ? 94 LYS D C 1 4 +ATOM 4976 O O . LYS D 1 98 ? 39.298 -12.126 -60.231 1 68.808 ? 94 LYS D O 1 4 +ATOM 4977 C CB . LYS D 1 98 ? 37.241 -9.859 -60.438 1 83.009 ? 94 LYS D CB 1 4 +ATOM 4978 C CG . LYS D 1 98 ? 38.166 -8.653 -60.618 1 94.06 ? 94 LYS D CG 1 4 +ATOM 4979 C CD . LYS D 1 98 ? 38.251 -7.744 -59.4 1 98.89 ? 94 LYS D CD 1 4 +ATOM 4980 C CE . LYS D 1 98 ? 39.465 -6.853 -59.395 1 105.057 ? 94 LYS D CE 1 4 +ATOM 4981 N NZ . LYS D 1 98 ? 40.561 -7.321 -58.529 1 99.762 ? 94 LYS D NZ 1 4 +ATOM 4982 N N . SER D 1 99 ? 39.654 -11.403 -62.346 1 81.695 ? 95 SER D N 1 4 +ATOM 4983 C CA . SER D 1 99 ? 41.023 -11.861 -62.434 1 87.943 ? 95 SER D CA 1 4 +ATOM 4984 C C . SER D 1 99 ? 42.021 -10.695 -62.356 1 95.346 ? 95 SER D C 1 4 +ATOM 4985 O O . SER D 1 99 ? 41.784 -9.606 -62.885 1 82.414 ? 95 SER D O 1 4 +ATOM 4986 C CB . SER D 1 99 ? 41.202 -12.683 -63.682 1 93.041 ? 95 SER D CB 1 4 +ATOM 4987 O OG . SER D 1 99 ? 42.538 -13.159 -63.728 1 117.924 ? 95 SER D OG 1 4 +ATOM 4988 N N . TYR D 1 100 ? 43.138 -10.968 -61.658 1 102.7 ? 96 TYR D N 1 4 +ATOM 4989 C CA . TYR D 1 100 ? 44.351 -10.162 -61.634 1 106.919 ? 96 TYR D CA 1 4 +ATOM 4990 C C . TYR D 1 100 ? 45.454 -11.045 -61.052 1 114.758 ? 96 TYR D C 1 4 +ATOM 4991 O O . TYR D 1 100 ? 45.592 -11.13 -59.822 1 139.332 ? 96 TYR D O 1 4 +ATOM 4992 C CB . TYR D 1 100 ? 44.244 -8.85 -60.836 1 124.498 ? 96 TYR D CB 1 4 +ATOM 4993 C CG . TYR D 1 100 ? 45.434 -7.953 -61.164 1 143.227 ? 96 TYR D CG 1 4 +ATOM 4994 C CD1 . TYR D 1 100 ? 45.483 -7.263 -62.376 1 150.428 ? 96 TYR D CD1 1 4 +ATOM 4995 C CD2 . TYR D 1 100 ? 46.55 -7.877 -60.325 1 138.366 ? 96 TYR D CD2 1 4 +ATOM 4996 C CE1 . TYR D 1 100 ? 46.595 -6.517 -62.733 1 143.602 ? 96 TYR D CE1 1 4 +ATOM 4997 C CE2 . TYR D 1 100 ? 47.666 -7.132 -60.672 1 133.987 ? 96 TYR D CE2 1 4 +ATOM 4998 C CZ . TYR D 1 100 ? 47.681 -6.446 -61.877 1 140.47 ? 96 TYR D CZ 1 4 +ATOM 4999 O OH . TYR D 1 100 ? 48.736 -5.676 -62.261 1 140.935 ? 96 TYR D OH 1 4 +ATOM 5000 N N . GLY D 1 101 ? 46.186 -11.753 -61.929 1 103.308 ? 97 GLY D N 1 4 +ATOM 5001 C CA . GLY D 1 101 ? 47.231 -12.678 -61.479 1 109.554 ? 97 GLY D CA 1 4 +ATOM 5002 C C . GLY D 1 101 ? 46.696 -14.027 -60.964 1 96.186 ? 97 GLY D C 1 4 +ATOM 5003 O O . GLY D 1 101 ? 47.431 -15.02 -60.951 1 98.726 ? 97 GLY D O 1 4 +ATOM 5004 N N . ALA D 1 102 ? 45.445 -14.02 -60.464 1 81.757 ? 98 ALA D N 1 4 +ATOM 5005 C CA . ALA D 1 102 ? 44.579 -15.189 -60.339 1 77.154 ? 98 ALA D CA 1 4 +ATOM 5006 C C . ALA D 1 102 ? 43.128 -14.705 -60.163 1 78.415 ? 98 ALA D C 1 4 +ATOM 5007 O O . ALA D 1 102 ? 42.881 -13.52 -60.272 1 88.297 ? 98 ALA D O 1 4 +ATOM 5008 C CB . ALA D 1 102 ? 45.076 -16.028 -59.19 1 75.486 ? 98 ALA D CB 1 4 +ATOM 5009 N N . PHE D 1 103 ? 42.154 -15.565 -59.833 1 73.052 ? 99 PHE D N 1 4 +ATOM 5010 C CA . PHE D 1 103 ? 40.807 -15.083 -59.54 1 74.407 ? 99 PHE D CA 1 4 +ATOM 5011 C C . PHE D 1 103 ? 40.738 -14.516 -58.114 1 78.1 ? 99 PHE D C 1 4 +ATOM 5012 O O . PHE D 1 103 ? 40.448 -15.261 -57.181 1 82.277 ? 99 PHE D O 1 4 +ATOM 5013 C CB . PHE D 1 103 ? 39.79 -16.212 -59.773 1 81.732 ? 99 PHE D CB 1 4 +ATOM 5014 C CG . PHE D 1 103 ? 39.785 -16.791 -61.189 1 79.95 ? 99 PHE D CG 1 4 +ATOM 5015 C CD1 . PHE D 1 103 ? 39.851 -15.965 -62.301 1 87.296 ? 99 PHE D CD1 1 4 +ATOM 5016 C CD2 . PHE D 1 103 ? 39.743 -18.157 -61.404 1 78.828 ? 99 PHE D CD2 1 4 +ATOM 5017 C CE1 . PHE D 1 103 ? 39.877 -16.482 -63.579 1 80.929 ? 99 PHE D CE1 1 4 +ATOM 5018 C CE2 . PHE D 1 103 ? 39.732 -18.666 -62.683 1 83.488 ? 99 PHE D CE2 1 4 +ATOM 5019 C CZ . PHE D 1 103 ? 39.811 -17.827 -63.765 1 85.788 ? 99 PHE D CZ 1 4 +ATOM 5020 N N . ASP D 1 104 ? 40.963 -13.196 -57.947 1 90.738 ? 100 ASP D N 1 4 +ATOM 5021 C CA . ASP D 1 104 ? 41.03 -12.568 -56.623 1 93.02 ? 100 ASP D CA 1 4 +ATOM 5022 C C . ASP D 1 104 ? 39.625 -12.328 -56.038 1 83.504 ? 100 ASP D C 1 4 +ATOM 5023 O O . ASP D 1 104 ? 39.5 -12.139 -54.835 1 76.798 ? 100 ASP D O 1 4 +ATOM 5024 C CB . ASP D 1 104 ? 41.954 -11.341 -56.54 1 92.098 ? 100 ASP D CB 1 4 +ATOM 5025 C CG . ASP D 1 104 ? 41.615 -10.14 -57.422 1 93.807 ? 100 ASP D CG 1 4 +ATOM 5026 O OD1 . ASP D 1 104 ? 40.712 -10.313 -58.28 1 93.598 ? 100 ASP D OD1 1 4 +ATOM 5027 O OD2 . ASP D 1 104 ? 42.254 -9.048 -57.258 1 83.516 ? 100 ASP D OD2 1 4 +ATOM 5028 N N . TYR D 1 105 ? 38.556 -12.312 -56.844 1 76.272 ? 101 TYR D N 1 4 +ATOM 5029 C CA . TYR D 1 105 ? 37.232 -12.063 -56.277 1 77.022 ? 101 TYR D CA 1 4 +ATOM 5030 C C . TYR D 1 105 ? 36.181 -12.893 -57.014 1 72.586 ? 101 TYR D C 1 4 +ATOM 5031 O O . TYR D 1 105 ? 36.217 -12.992 -58.227 1 74.276 ? 101 TYR D O 1 4 +ATOM 5032 C CB . TYR D 1 105 ? 36.846 -10.579 -56.254 1 90.528 ? 101 TYR D CB 1 4 +ATOM 5033 C CG . TYR D 1 105 ? 35.771 -10.254 -55.224 1 102.199 ? 101 TYR D CG 1 4 +ATOM 5034 C CD1 . TYR D 1 105 ? 36.098 -9.928 -53.91 1 105.295 ? 101 TYR D CD1 1 4 +ATOM 5035 C CD2 . TYR D 1 105 ? 34.417 -10.337 -55.552 1 114.242 ? 101 TYR D CD2 1 4 +ATOM 5036 C CE1 . TYR D 1 105 ? 35.103 -9.695 -52.963 1 104.427 ? 101 TYR D CE1 1 4 +ATOM 5037 C CE2 . TYR D 1 105 ? 33.418 -10.09 -54.624 1 114.475 ? 101 TYR D CE2 1 4 +ATOM 5038 C CZ . TYR D 1 105 ? 33.763 -9.773 -53.326 1 111.66 ? 101 TYR D CZ 1 4 +ATOM 5039 O OH . TYR D 1 105 ? 32.709 -9.523 -52.505 1 112.756 ? 101 TYR D OH 1 4 +ATOM 5040 N N . TRP D 1 106 ? 35.263 -13.51 -56.255 1 74.3 ? 102 TRP D N 1 4 +ATOM 5041 C CA . TRP D 1 106 ? 34.235 -14.395 -56.776 1 63.473 ? 102 TRP D CA 1 4 +ATOM 5042 C C . TRP D 1 106 ? 32.856 -13.967 -56.296 1 64.637 ? 102 TRP D C 1 4 +ATOM 5043 O O . TRP D 1 106 ? 32.683 -13.564 -55.144 1 66.968 ? 102 TRP D O 1 4 +ATOM 5044 C CB . TRP D 1 106 ? 34.469 -15.796 -56.235 1 61.754 ? 102 TRP D CB 1 4 +ATOM 5045 C CG . TRP D 1 106 ? 35.759 -16.446 -56.63 1 67.05 ? 102 TRP D CG 1 4 +ATOM 5046 C CD1 . TRP D 1 106 ? 37.028 -16.141 -56.227 1 70.63 ? 102 TRP D CD1 1 4 +ATOM 5047 C CD2 . TRP D 1 106 ? 35.86 -17.637 -57.435 1 67.453 ? 102 TRP D CD2 1 4 +ATOM 5048 N NE1 . TRP D 1 106 ? 37.925 -17.013 -56.789 1 70.727 ? 102 TRP D NE1 1 4 +ATOM 5049 C CE2 . TRP D 1 106 ? 37.239 -17.946 -57.522 1 68.37 ? 102 TRP D CE2 1 4 +ATOM 5050 C CE3 . TRP D 1 106 ? 34.923 -18.443 -58.094 1 62.697 ? 102 TRP D CE3 1 4 +ATOM 5051 C CZ2 . TRP D 1 106 ? 37.697 -19.045 -58.244 1 73.389 ? 102 TRP D CZ2 1 4 +ATOM 5052 C CZ3 . TRP D 1 106 ? 35.381 -19.524 -58.813 1 72.519 ? 102 TRP D CZ3 1 4 +ATOM 5053 C CH2 . TRP D 1 106 ? 36.748 -19.831 -58.862 1 78.781 ? 102 TRP D CH2 1 4 +ATOM 5054 N N . GLY D 1 107 ? 31.861 -14.151 -57.157 1 68.847 ? 103 GLY D N 1 4 +ATOM 5055 C CA . GLY D 1 107 ? 30.486 -13.847 -56.798 1 73.123 ? 103 GLY D CA 1 4 +ATOM 5056 C C . GLY D 1 107 ? 29.894 -14.988 -55.978 1 71.213 ? 103 GLY D C 1 4 +ATOM 5057 O O . GLY D 1 107 ? 30.558 -15.995 -55.793 1 55.661 ? 103 GLY D O 1 4 +ATOM 5058 N N . GLN D 1 108 ? 28.646 -14.815 -55.515 1 83.491 ? 104 GLN D N 1 4 +ATOM 5059 C CA . GLN D 1 108 ? 27.957 -15.785 -54.669 1 89.567 ? 104 GLN D CA 1 4 +ATOM 5060 C C . GLN D 1 108 ? 27.589 -17.038 -55.469 1 88.084 ? 104 GLN D C 1 4 +ATOM 5061 O O . GLN D 1 108 ? 27.541 -18.143 -54.935 1 92.926 ? 104 GLN D O 1 4 +ATOM 5062 C CB . GLN D 1 108 ? 26.703 -15.174 -54.023 1 106.372 ? 104 GLN D CB 1 4 +ATOM 5063 C CG . GLN D 1 108 ? 26.953 -14.166 -52.895 1 122.505 ? 104 GLN D CG 1 4 +ATOM 5064 C CD . GLN D 1 108 ? 27.838 -14.652 -51.753 1 119.168 ? 104 GLN D CD 1 4 +ATOM 5065 O OE1 . GLN D 1 108 ? 27.709 -15.764 -51.219 1 100.93 ? 104 GLN D OE1 1 4 +ATOM 5066 N NE2 . GLN D 1 108 ? 28.779 -13.806 -51.356 1 119.804 ? 104 GLN D NE2 1 4 +ATOM 5067 N N . GLY D 1 109 ? 27.307 -16.865 -56.763 1 84.56 ? 105 GLY D N 1 4 +ATOM 5068 C CA . GLY D 1 109 ? 26.922 -17.97 -57.614 1 78.328 ? 105 GLY D CA 1 4 +ATOM 5069 C C . GLY D 1 109 ? 25.429 -17.906 -57.92 1 82.458 ? 105 GLY D C 1 4 +ATOM 5070 O O . GLY D 1 109 ? 24.658 -17.312 -57.172 1 80.8 ? 105 GLY D O 1 4 +ATOM 5071 N N . THR D 1 110 ? 25.045 -18.455 -59.077 1 85.022 ? 106 THR D N 1 4 +ATOM 5072 C CA . THR D 1 110 ? 23.648 -18.597 -59.453 1 84.112 ? 106 THR D CA 1 4 +ATOM 5073 C C . THR D 1 110 ? 23.46 -20.052 -59.872 1 90.694 ? 106 THR D C 1 4 +ATOM 5074 O O . THR D 1 110 ? 24.278 -20.601 -60.607 1 105.907 ? 106 THR D O 1 4 +ATOM 5075 C CB . THR D 1 110 ? 23.288 -17.577 -60.536 1 89.576 ? 106 THR D CB 1 4 +ATOM 5076 O OG1 . THR D 1 110 ? 21.936 -17.75 -60.927 1 96.866 ? 106 THR D OG1 1 4 +ATOM 5077 C CG2 . THR D 1 110 ? 24.091 -17.726 -61.809 1 92.54 ? 106 THR D CG2 1 4 +ATOM 5078 N N . LEU D 1 111 ? 22.415 -20.713 -59.348 1 96.507 ? 107 LEU D N 1 4 +ATOM 5079 C CA . LEU D 1 111 ? 22.294 -22.157 -59.504 1 96.529 ? 107 LEU D CA 1 4 +ATOM 5080 C C . LEU D 1 111 ? 21.474 -22.408 -60.75 1 94.249 ? 107 LEU D C 1 4 +ATOM 5081 O O . LEU D 1 111 ? 20.318 -21.997 -60.823 1 89.067 ? 107 LEU D O 1 4 +ATOM 5082 C CB . LEU D 1 111 ? 21.673 -22.901 -58.323 1 108.226 ? 107 LEU D CB 1 4 +ATOM 5083 C CG . LEU D 1 111 ? 21.384 -24.399 -58.519 1 105.324 ? 107 LEU D CG 1 4 +ATOM 5084 C CD1 . LEU D 1 111 ? 22.629 -25.211 -58.797 1 107.197 ? 107 LEU D CD1 1 4 +ATOM 5085 C CD2 . LEU D 1 111 ? 20.676 -24.962 -57.302 1 105.526 ? 107 LEU D CD2 1 4 +ATOM 5086 N N . VAL D 1 112 ? 22.11 -23.095 -61.7 1 95.023 ? 108 VAL D N 1 4 +ATOM 5087 C CA . VAL D 1 112 ? 21.446 -23.516 -62.909 1 104.973 ? 108 VAL D CA 1 4 +ATOM 5088 C C . VAL D 1 112 ? 21.204 -25.013 -62.771 1 105.989 ? 108 VAL D C 1 4 +ATOM 5089 O O . VAL D 1 112 ? 22.147 -25.793 -62.654 1 95.878 ? 108 VAL D O 1 4 +ATOM 5090 C CB . VAL D 1 112 ? 22.275 -23.16 -64.16 1 107.15 ? 108 VAL D CB 1 4 +ATOM 5091 C CG1 . VAL D 1 112 ? 21.647 -23.708 -65.432 1 104.86 ? 108 VAL D CG1 1 4 +ATOM 5092 C CG2 . VAL D 1 112 ? 22.482 -21.654 -64.3 1 103.973 ? 108 VAL D CG2 1 4 +ATOM 5093 N N . THR D 1 113 ? 19.92 -25.385 -62.786 1 104.662 ? 109 THR D N 1 4 +ATOM 5094 C CA . THR D 1 113 ? 19.489 -26.771 -62.835 1 90.89 ? 109 THR D CA 1 4 +ATOM 5095 C C . THR D 1 113 ? 18.933 -27.049 -64.234 1 92.591 ? 109 THR D C 1 4 +ATOM 5096 O O . THR D 1 113 ? 17.989 -26.391 -64.681 1 95.28 ? 109 THR D O 1 4 +ATOM 5097 C CB . THR D 1 113 ? 18.427 -26.979 -61.756 1 89.304 ? 109 THR D CB 1 4 +ATOM 5098 O OG1 . THR D 1 113 ? 18.804 -26.257 -60.581 1 80.027 ? 109 THR D OG1 1 4 +ATOM 5099 C CG2 . THR D 1 113 ? 18.146 -28.452 -61.508 1 87.571 ? 109 THR D CG2 1 4 +ATOM 5100 N N . VAL D 1 114 ? 19.515 -28.028 -64.933 1 96.524 ? 110 VAL D N 1 4 +ATOM 5101 C CA . VAL D 1 114 ? 19.004 -28.421 -66.242 1 108.572 ? 110 VAL D CA 1 4 +ATOM 5102 C C . VAL D 1 114 ? 18.302 -29.766 -66.083 1 107.903 ? 110 VAL D C 1 4 +ATOM 5103 O O . VAL D 1 114 ? 18.965 -30.781 -65.883 1 95.53 ? 110 VAL D O 1 4 +ATOM 5104 C CB . VAL D 1 114 ? 20.081 -28.488 -67.344 1 112.309 ? 110 VAL D CB 1 4 +ATOM 5105 C CG1 . VAL D 1 114 ? 19.489 -28.774 -68.717 1 104.327 ? 110 VAL D CG1 1 4 +ATOM 5106 C CG2 . VAL D 1 114 ? 20.899 -27.208 -67.402 1 118.005 ? 110 VAL D CG2 1 4 +ATOM 5107 N N . SER D 1 115 ? 16.959 -29.74 -66.159 1 105.282 ? 111 SER D N 1 4 +ATOM 5108 C CA . SER D 1 115 ? 16.147 -30.921 -65.917 1 100.962 ? 111 SER D CA 1 4 +ATOM 5109 C C . SER D 1 115 ? 14.774 -30.793 -66.573 1 98.878 ? 111 SER D C 1 4 +ATOM 5110 O O . SER D 1 115 ? 14.231 -29.691 -66.683 1 94.576 ? 111 SER D O 1 4 +ATOM 5111 C CB . SER D 1 115 ? 16.011 -31.204 -64.44 1 98.736 ? 111 SER D CB 1 4 +ATOM 5112 O OG . SER D 1 115 ? 15.183 -32.345 -64.202 1 95.491 ? 111 SER D OG 1 4 +ATOM 5113 N N . SER D 1 116 ? 14.216 -31.956 -66.951 1 103.257 ? 112 SER D N 1 4 +ATOM 5114 C CA . SER D 1 116 ? 12.873 -32.048 -67.507 1 111.363 ? 112 SER D CA 1 4 +ATOM 5115 C C . SER D 1 116 ? 11.826 -31.962 -66.395 1 103.904 ? 112 SER D C 1 4 +ATOM 5116 O O . SER D 1 116 ? 10.65 -31.792 -66.688 1 109.899 ? 112 SER D O 1 4 +ATOM 5117 C CB . SER D 1 116 ? 12.686 -33.322 -68.333 1 117.533 ? 112 SER D CB 1 4 +ATOM 5118 O OG . SER D 1 116 ? 13.718 -33.464 -69.305 1 127.967 ? 112 SER D OG 1 4 +ATOM 5119 N N . ALA D 1 117 ? 12.259 -32.09 -65.135 1 95.63 ? 113 ALA D N 1 4 +ATOM 5120 C CA . ALA D 1 117 ? 11.353 -32.211 -64.012 1 100.615 ? 113 ALA D CA 1 4 +ATOM 5121 C C . ALA D 1 117 ? 10.627 -30.895 -63.772 1 104.896 ? 113 ALA D C 1 4 +ATOM 5122 O O . ALA D 1 117 ? 11.2 -29.84 -64.017 1 113.852 ? 113 ALA D O 1 4 +ATOM 5123 C CB . ALA D 1 117 ? 12.115 -32.659 -62.785 1 95.485 ? 113 ALA D CB 1 4 +ATOM 5124 N N . SER D 1 118 ? 9.398 -31.001 -63.248 1 106.673 ? 114 SER D N 1 4 +ATOM 5125 C CA . SER D 1 118 ? 8.586 -29.863 -62.857 1 106.707 ? 114 SER D CA 1 4 +ATOM 5126 C C . SER D 1 118 ? 8.886 -29.421 -61.427 1 106.812 ? 114 SER D C 1 4 +ATOM 5127 O O . SER D 1 118 ? 9.432 -30.157 -60.614 1 107.189 ? 114 SER D O 1 4 +ATOM 5128 C CB . SER D 1 118 ? 7.147 -30.179 -63.01 1 107.939 ? 114 SER D CB 1 4 +ATOM 5129 O OG . SER D 1 118 ? 6.883 -30.36 -64.389 1 119.411 ? 114 SER D OG 1 4 +ATOM 5130 N N . THR D 1 119 ? 8.527 -28.166 -61.155 1 105.489 ? 115 THR D N 1 4 +ATOM 5131 C CA . THR D 1 119 ? 8.813 -27.533 -59.884 1 94.058 ? 115 THR D CA 1 4 +ATOM 5132 C C . THR D 1 119 ? 7.793 -28.013 -58.872 1 89.869 ? 115 THR D C 1 4 +ATOM 5133 O O . THR D 1 119 ? 6.588 -27.975 -59.134 1 95.542 ? 115 THR D O 1 4 +ATOM 5134 C CB . THR D 1 119 ? 8.716 -26.023 -60.047 1 105.665 ? 115 THR D CB 1 4 +ATOM 5135 O OG1 . THR D 1 119 ? 9.712 -25.717 -61.022 1 104.604 ? 115 THR D OG1 1 4 +ATOM 5136 C CG2 . THR D 1 119 ? 8.887 -25.29 -58.721 1 115.244 ? 115 THR D CG2 1 4 +ATOM 5137 N N . LYS D 1 120 ? 8.287 -28.426 -57.708 1 84.724 ? 116 LYS D N 1 4 +ATOM 5138 C CA . LYS D 1 120 ? 7.4 -28.886 -56.656 1 88.887 ? 116 LYS D CA 1 4 +ATOM 5139 C C . LYS D 1 120 ? 7.691 -28.139 -55.361 1 85.802 ? 116 LYS D C 1 4 +ATOM 5140 O O . LYS D 1 120 ? 8.83 -28.089 -54.912 1 72.176 ? 116 LYS D O 1 4 +ATOM 5141 C CB . LYS D 1 120 ? 7.512 -30.393 -56.425 1 89.947 ? 116 LYS D CB 1 4 +ATOM 5142 C CG . LYS D 1 120 ? 6.435 -30.901 -55.486 1 98.396 ? 116 LYS D CG 1 4 +ATOM 5143 C CD . LYS D 1 120 ? 6.442 -32.397 -55.209 1 102.222 ? 116 LYS D CD 1 4 +ATOM 5144 C CE . LYS D 1 120 ? 5.407 -32.702 -54.176 1 112.811 ? 116 LYS D CE 1 4 +ATOM 5145 N NZ . LYS D 1 120 ? 5.549 -31.901 -52.955 1 114.108 ? 116 LYS D NZ 1 4 +ATOM 5146 N N . GLY D 1 121 ? 6.63 -27.587 -54.765 1 90.516 ? 117 GLY D N 1 4 +ATOM 5147 C CA . GLY D 1 121 ? 6.718 -26.942 -53.47 1 87.763 ? 117 GLY D CA 1 4 +ATOM 5148 C C . GLY D 1 121 ? 6.849 -27.993 -52.38 1 83.416 ? 117 GLY D C 1 4 +ATOM 5149 O O . GLY D 1 121 ? 6.202 -29.028 -52.48 1 83.402 ? 117 GLY D O 1 4 +ATOM 5150 N N . PRO D 1 122 ? 7.664 -27.741 -51.325 1 91.849 ? 118 PRO D N 1 4 +ATOM 5151 C CA . PRO D 1 122 ? 7.904 -28.722 -50.267 1 93.35 ? 118 PRO D CA 1 4 +ATOM 5152 C C . PRO D 1 122 ? 6.765 -28.837 -49.265 1 86.402 ? 118 PRO D C 1 4 +ATOM 5153 O O . PRO D 1 122 ? 6.043 -27.873 -49.026 1 91.132 ? 118 PRO D O 1 4 +ATOM 5154 C CB . PRO D 1 122 ? 9.2 -28.221 -49.582 1 96.461 ? 118 PRO D CB 1 4 +ATOM 5155 C CG . PRO D 1 122 ? 9.158 -26.73 -49.778 1 102.689 ? 118 PRO D CG 1 4 +ATOM 5156 C CD . PRO D 1 122 ? 8.436 -26.499 -51.11 1 106.444 ? 118 PRO D CD 1 4 +ATOM 5157 N N . SER D 1 123 ? 6.647 -30.028 -48.678 1 84.047 ? 119 SER D N 1 4 +ATOM 5158 C CA . SER D 1 123 ? 5.835 -30.233 -47.496 1 92.67 ? 119 SER D CA 1 4 +ATOM 5159 C C . SER D 1 123 ? 6.729 -30.103 -46.268 1 96.814 ? 119 SER D C 1 4 +ATOM 5160 O O . SER D 1 123 ? 7.819 -30.666 -46.235 1 105.45 ? 119 SER D O 1 4 +ATOM 5161 C CB . SER D 1 123 ? 5.175 -31.562 -47.53 1 91.903 ? 119 SER D CB 1 4 +ATOM 5162 O OG . SER D 1 123 ? 4.35 -31.658 -48.673 1 109.838 ? 119 SER D OG 1 4 +ATOM 5163 N N . VAL D 1 124 ? 6.253 -29.365 -45.26 1 88.944 ? 120 VAL D N 1 4 +ATOM 5164 C CA . VAL D 1 124 ? 6.977 -29.247 -44.012 1 79.343 ? 120 VAL D CA 1 4 +ATOM 5165 C C . VAL D 1 124 ? 6.221 -29.976 -42.899 1 83.679 ? 120 VAL D C 1 4 +ATOM 5166 O O . VAL D 1 124 ? 5.032 -29.741 -42.639 1 78.17 ? 120 VAL D O 1 4 +ATOM 5167 C CB . VAL D 1 124 ? 7.222 -27.773 -43.675 1 81.481 ? 120 VAL D CB 1 4 +ATOM 5168 C CG1 . VAL D 1 124 ? 7.924 -27.615 -42.336 1 82.212 ? 120 VAL D CG1 1 4 +ATOM 5169 C CG2 . VAL D 1 124 ? 8.001 -27.09 -44.785 1 81.645 ? 120 VAL D CG2 1 4 +ATOM 5170 N N . PHE D 1 125 ? 6.959 -30.876 -42.24 1 79.172 ? 121 PHE D N 1 4 +ATOM 5171 C CA . PHE D 1 125 ? 6.431 -31.643 -41.137 1 80.494 ? 121 PHE D CA 1 4 +ATOM 5172 C C . PHE D 1 125 ? 7.271 -31.365 -39.896 1 79.949 ? 121 PHE D C 1 4 +ATOM 5173 O O . PHE D 1 125 ? 8.481 -31.18 -39.977 1 80.169 ? 121 PHE D O 1 4 +ATOM 5174 C CB . PHE D 1 125 ? 6.443 -33.117 -41.544 1 81.281 ? 121 PHE D CB 1 4 +ATOM 5175 C CG . PHE D 1 125 ? 5.632 -33.405 -42.796 1 85.985 ? 121 PHE D CG 1 4 +ATOM 5176 C CD1 . PHE D 1 125 ? 4.251 -33.25 -42.793 1 89.225 ? 121 PHE D CD1 1 4 +ATOM 5177 C CD2 . PHE D 1 125 ? 6.25 -33.804 -43.979 1 93.121 ? 121 PHE D CD2 1 4 +ATOM 5178 C CE1 . PHE D 1 125 ? 3.504 -33.514 -43.934 1 88.092 ? 121 PHE D CE1 1 4 +ATOM 5179 C CE2 . PHE D 1 125 ? 5.501 -34.06 -45.119 1 91.678 ? 121 PHE D CE2 1 4 +ATOM 5180 C CZ . PHE D 1 125 ? 4.132 -33.9 -45.098 1 89.3 ? 121 PHE D CZ 1 4 +ATOM 5181 N N . PRO D 1 126 ? 6.654 -31.374 -38.697 1 85.824 ? 122 PRO D N 1 4 +ATOM 5182 C CA . PRO D 1 126 ? 7.405 -31.226 -37.459 1 86.298 ? 122 PRO D CA 1 4 +ATOM 5183 C C . PRO D 1 126 ? 8.082 -32.514 -37.003 1 84.065 ? 122 PRO D C 1 4 +ATOM 5184 O O . PRO D 1 126 ? 7.542 -33.601 -37.177 1 75.333 ? 122 PRO D O 1 4 +ATOM 5185 C CB . PRO D 1 126 ? 6.25 -30.835 -36.521 1 95.159 ? 122 PRO D CB 1 4 +ATOM 5186 C CG . PRO D 1 126 ? 5.082 -31.705 -36.96 1 92.151 ? 122 PRO D CG 1 4 +ATOM 5187 C CD . PRO D 1 126 ? 5.21 -31.587 -38.465 1 93.513 ? 122 PRO D CD 1 4 +ATOM 5188 N N . LEU D 1 127 ? 9.238 -32.355 -36.363 1 84.113 ? 123 LEU D N 1 4 +ATOM 5189 C CA . LEU D 1 127 ? 9.878 -33.437 -35.649 1 84.57 ? 123 LEU D CA 1 4 +ATOM 5190 C C . LEU D 1 127 ? 9.754 -33.12 -34.17 1 84.542 ? 123 LEU D C 1 4 +ATOM 5191 O O . LEU D 1 127 ? 10.617 -32.416 -33.647 1 76.566 ? 123 LEU D O 1 4 +ATOM 5192 C CB . LEU D 1 127 ? 11.34 -33.564 -36.071 1 86.115 ? 123 LEU D CB 1 4 +ATOM 5193 C CG . LEU D 1 127 ? 11.587 -33.772 -37.564 1 87.299 ? 123 LEU D CG 1 4 +ATOM 5194 C CD1 . LEU D 1 127 ? 13.051 -33.608 -37.922 1 99.552 ? 123 LEU D CD1 1 4 +ATOM 5195 C CD2 . LEU D 1 127 ? 11.093 -35.148 -37.941 1 83.964 ? 123 LEU D CD2 1 4 +ATOM 5196 N N . ALA D 1 128 ? 8.702 -33.668 -33.536 1 85.352 ? 124 ALA D N 1 4 +ATOM 5197 C CA . ALA D 1 128 ? 8.336 -33.318 -32.174 1 89.843 ? 124 ALA D CA 1 4 +ATOM 5198 C C . ALA D 1 128 ? 9.378 -33.84 -31.19 1 91.162 ? 124 ALA D C 1 4 +ATOM 5199 O O . ALA D 1 128 ? 9.755 -35.013 -31.261 1 86.223 ? 124 ALA D O 1 4 +ATOM 5200 C CB . ALA D 1 128 ? 6.945 -33.84 -31.817 1 90.822 ? 124 ALA D CB 1 4 +ATOM 5201 N N . PRO D 1 129 ? 9.78 -33.018 -30.179 1 101.883 ? 125 PRO D N 1 4 +ATOM 5202 C CA . PRO D 1 129 ? 10.633 -33.489 -29.086 1 99.289 ? 125 PRO D CA 1 4 +ATOM 5203 C C . PRO D 1 129 ? 9.785 -34.323 -28.143 1 102.397 ? 125 PRO D C 1 4 +ATOM 5204 O O . PRO D 1 129 ? 9.056 -33.763 -27.328 1 112.095 ? 125 PRO D O 1 4 +ATOM 5205 C CB . PRO D 1 129 ? 11.178 -32.242 -28.385 1 92.071 ? 125 PRO D CB 1 4 +ATOM 5206 C CG . PRO D 1 129 ? 10.264 -31.117 -28.842 1 98.125 ? 125 PRO D CG 1 4 +ATOM 5207 C CD . PRO D 1 129 ? 9.412 -31.599 -30.01 1 97.526 ? 125 PRO D CD 1 4 +ATOM 5208 N N . SER D 1 130 ? 9.859 -35.648 -28.299 1 109.781 ? 126 SER D N 1 4 +ATOM 5209 C CA . SER D 1 130 ? 9.126 -36.548 -27.43 1 124.132 ? 126 SER D CA 1 4 +ATOM 5210 C C . SER D 1 130 ? 10.106 -37.167 -26.429 1 114.407 ? 126 SER D C 1 4 +ATOM 5211 O O . SER D 1 130 ? 11.195 -36.631 -26.23 1 95.857 ? 126 SER D O 1 4 +ATOM 5212 C CB . SER D 1 130 ? 8.316 -37.547 -28.25 1 133.411 ? 126 SER D CB 1 4 +ATOM 5213 O OG . SER D 1 130 ? 9.108 -38.25 -29.201 1 124.345 ? 126 SER D OG 1 4 +ATOM 5214 N N . SER D 1 131 ? 9.705 -38.242 -25.74 1 111.114 ? 127 SER D N 1 4 +ATOM 5215 C CA . SER D 1 131 ? 10.623 -38.917 -24.837 1 108.283 ? 127 SER D CA 1 4 +ATOM 5216 C C . SER D 1 131 ? 11.639 -39.723 -25.647 1 112.221 ? 127 SER D C 1 4 +ATOM 5217 O O . SER D 1 131 ? 12.747 -39.944 -25.174 1 98.749 ? 127 SER D O 1 4 +ATOM 5218 C CB . SER D 1 131 ? 9.902 -39.77 -23.816 1 107.496 ? 127 SER D CB 1 4 +ATOM 5219 O OG . SER D 1 131 ? 9.197 -40.843 -24.426 1 116.834 ? 127 SER D OG 1 4 +ATOM 5220 N N . LYS D 1 132 ? 11.266 -40.121 -26.883 1 134.89 ? 128 LYS D N 1 4 +ATOM 5221 C CA . LYS D 1 132 ? 12.122 -40.853 -27.821 1 139.303 ? 128 LYS D CA 1 4 +ATOM 5222 C C . LYS D 1 132 ? 13.185 -39.936 -28.432 1 125.668 ? 128 LYS D C 1 4 +ATOM 5223 O O . LYS D 1 132 ? 14.182 -40.397 -28.982 1 106.829 ? 128 LYS D O 1 4 +ATOM 5224 C CB . LYS D 1 132 ? 11.273 -41.475 -28.942 1 143.407 ? 128 LYS D CB 1 4 +ATOM 5225 C CG . LYS D 1 132 ? 10.084 -42.339 -28.485 1 146.137 ? 128 LYS D CG 1 4 +ATOM 5226 C CD . LYS D 1 132 ? 10.442 -43.566 -27.646 1 140.866 ? 128 LYS D CD 1 4 +ATOM 5227 C CE . LYS D 1 132 ? 9.233 -44.146 -26.979 1 148.121 ? 128 LYS D CE 1 4 +ATOM 5228 N NZ . LYS D 1 132 ? 9.535 -45.434 -26.355 1 152.669 ? 128 LYS D NZ 1 4 +ATOM 5229 N N . SER D 1 133 ? 12.933 -38.628 -28.36 1 130.546 ? 129 SER D N 1 4 +ATOM 5230 C CA . SER D 1 133 ? 13.837 -37.587 -28.808 1 121.051 ? 129 SER D CA 1 4 +ATOM 5231 C C . SER D 1 133 ? 14.601 -36.97 -27.627 1 123.415 ? 129 SER D C 1 4 +ATOM 5232 O O . SER D 1 133 ? 14.894 -35.777 -27.676 1 108.953 ? 129 SER D O 1 4 +ATOM 5233 C CB . SER D 1 133 ? 13.013 -36.562 -29.53 1 107.904 ? 129 SER D CB 1 4 +ATOM 5234 O OG . SER D 1 133 ? 13.821 -35.492 -29.96 1 120.293 ? 129 SER D OG 1 4 +ATOM 5235 N N . THR D 1 134 ? 14.919 -37.762 -26.573 1 126.326 ? 130 THR D N 1 4 +ATOM 5236 C CA . THR D 1 134 ? 15.695 -37.305 -25.409 1 120.297 ? 130 THR D CA 1 4 +ATOM 5237 C C . THR D 1 134 ? 16.798 -38.327 -25.094 1 120.914 ? 130 THR D C 1 4 +ATOM 5238 O O . THR D 1 134 ? 16.585 -39.528 -25.212 1 139.834 ? 130 THR D O 1 4 +ATOM 5239 C CB . THR D 1 134 ? 14.822 -37.047 -24.176 1 113.793 ? 130 THR D CB 1 4 +ATOM 5240 O OG1 . THR D 1 134 ? 14.114 -38.248 -23.889 1 134.097 ? 130 THR D OG1 1 4 +ATOM 5241 C CG2 . THR D 1 134 ? 13.842 -35.898 -24.352 1 103.626 ? 130 THR D CG2 1 4 +ATOM 5242 N N . SER D 1 135 ? 18.002 -37.859 -24.721 1 114.462 ? 131 SER D N 1 4 +ATOM 5243 C CA . SER D 1 135 ? 19.194 -38.706 -24.733 1 104.859 ? 131 SER D CA 1 4 +ATOM 5244 C C . SER D 1 135 ? 20.296 -38.102 -23.866 1 105.327 ? 131 SER D C 1 4 +ATOM 5245 O O . SER D 1 135 ? 21.111 -37.313 -24.346 1 99.434 ? 131 SER D O 1 4 +ATOM 5246 C CB . SER D 1 135 ? 19.681 -38.941 -26.143 1 93.282 ? 131 SER D CB 1 4 +ATOM 5247 O OG . SER D 1 135 ? 20.658 -39.966 -26.168 1 90.211 ? 131 SER D OG 1 4 +ATOM 5248 N N . GLY D 1 136 ? 20.296 -38.485 -22.583 1 108.742 ? 132 GLY D N 1 4 +ATOM 5249 C CA . GLY D 1 136 ? 21.331 -38.076 -21.648 1 120.721 ? 132 GLY D CA 1 4 +ATOM 5250 C C . GLY D 1 136 ? 21.191 -36.613 -21.23 1 128.114 ? 132 GLY D C 1 4 +ATOM 5251 O O . GLY D 1 136 ? 22.19 -35.885 -21.183 1 134.721 ? 132 GLY D O 1 4 +ATOM 5252 N N . GLY D 1 137 ? 19.946 -36.209 -20.923 1 124.592 ? 133 GLY D N 1 4 +ATOM 5253 C CA . GLY D 1 137 ? 19.637 -34.862 -20.459 1 113.437 ? 133 GLY D CA 1 4 +ATOM 5254 C C . GLY D 1 137 ? 19.429 -33.863 -21.603 1 105.76 ? 133 GLY D C 1 4 +ATOM 5255 O O . GLY D 1 137 ? 19.029 -32.733 -21.352 1 105.354 ? 133 GLY D O 1 4 +ATOM 5256 N N . THR D 1 138 ? 19.716 -34.274 -22.853 1 102.089 ? 134 THR D N 1 4 +ATOM 5257 C CA . THR D 1 138 ? 19.552 -33.445 -24.042 1 101.119 ? 134 THR D CA 1 4 +ATOM 5258 C C . THR D 1 138 ? 18.282 -33.883 -24.77 1 101.541 ? 134 THR D C 1 4 +ATOM 5259 O O . THR D 1 138 ? 17.927 -35.054 -24.74 1 104.555 ? 134 THR D O 1 4 +ATOM 5260 C CB . THR D 1 138 ? 20.777 -33.587 -24.953 1 95.361 ? 134 THR D CB 1 4 +ATOM 5261 O OG1 . THR D 1 138 ? 21.896 -33.196 -24.172 1 89.986 ? 134 THR D OG1 1 4 +ATOM 5262 C CG2 . THR D 1 138 ? 20.752 -32.712 -26.196 1 88.826 ? 134 THR D CG2 1 4 +ATOM 5263 N N . ALA D 1 139 ? 17.595 -32.931 -25.411 1 101.29 ? 135 ALA D N 1 4 +ATOM 5264 C CA . ALA D 1 139 ? 16.4 -33.202 -26.197 1 91.601 ? 135 ALA D CA 1 4 +ATOM 5265 C C . ALA D 1 139 ? 16.574 -32.581 -27.576 1 81.306 ? 135 ALA D C 1 4 +ATOM 5266 O O . ALA D 1 139 ? 17.22 -31.558 -27.723 1 83.058 ? 135 ALA D O 1 4 +ATOM 5267 C CB . ALA D 1 139 ? 15.186 -32.629 -25.485 1 94.643 ? 135 ALA D CB 1 4 +ATOM 5268 N N . ALA D 1 140 ? 15.928 -33.149 -28.585 1 80.214 ? 136 ALA D N 1 4 +ATOM 5269 C CA . ALA D 1 140 ? 16.049 -32.618 -29.935 1 81.561 ? 136 ALA D CA 1 4 +ATOM 5270 C C . ALA D 1 140 ? 14.678 -32.468 -30.589 1 74.091 ? 136 ALA D C 1 4 +ATOM 5271 O O . ALA D 1 140 ? 13.723 -33.134 -30.233 1 78.789 ? 136 ALA D O 1 4 +ATOM 5272 C CB . ALA D 1 140 ? 16.958 -33.52 -30.763 1 88.376 ? 136 ALA D CB 1 4 +ATOM 5273 N N . LEU D 1 141 ? 14.622 -31.615 -31.607 1 69.746 ? 137 LEU D N 1 4 +ATOM 5274 C CA . LEU D 1 141 ? 13.424 -31.356 -32.388 1 74.238 ? 137 LEU D CA 1 4 +ATOM 5275 C C . LEU D 1 141 ? 13.888 -30.841 -33.741 1 76.82 ? 137 LEU D C 1 4 +ATOM 5276 O O . LEU D 1 141 ? 15.073 -30.549 -33.907 1 87.999 ? 137 LEU D O 1 4 +ATOM 5277 C CB . LEU D 1 141 ? 12.566 -30.311 -31.675 1 84.444 ? 137 LEU D CB 1 4 +ATOM 5278 C CG . LEU D 1 141 ? 13.172 -28.908 -31.531 1 94.022 ? 137 LEU D CG 1 4 +ATOM 5279 C CD1 . LEU D 1 141 ? 12.499 -27.886 -32.428 1 101.342 ? 137 LEU D CD1 1 4 +ATOM 5280 C CD2 . LEU D 1 141 ? 13.154 -28.46 -30.065 1 102.389 ? 137 LEU D CD2 1 4 +ATOM 5281 N N . GLY D 1 142 ? 12.954 -30.656 -34.671 1 73.824 ? 138 GLY D N 1 4 +ATOM 5282 C CA . GLY D 1 142 ? 13.332 -30.151 -35.973 1 73.502 ? 138 GLY D CA 1 4 +ATOM 5283 C C . GLY D 1 142 ? 12.174 -30.118 -36.969 1 80.193 ? 138 GLY D C 1 4 +ATOM 5284 O O . GLY D 1 142 ? 10.996 -30.159 -36.608 1 81.664 ? 138 GLY D O 1 4 +ATOM 5285 N N . CYS D 1 143 ? 12.553 -30.017 -38.245 1 84.047 ? 139 CYS D N 1 4 +ATOM 5286 C CA . CYS D 1 143 ? 11.615 -29.857 -39.336 1 86.372 ? 139 CYS D CA 1 4 +ATOM 5287 C C . CYS D 1 143 ? 12.078 -30.688 -40.516 1 74.294 ? 139 CYS D C 1 4 +ATOM 5288 O O . CYS D 1 143 ? 13.247 -30.704 -40.864 1 70.286 ? 139 CYS D O 1 4 +ATOM 5289 C CB . CYS D 1 143 ? 11.489 -28.397 -39.746 1 95.928 ? 139 CYS D CB 1 4 +ATOM 5290 S SG . CYS D 1 143 ? 10.439 -27.463 -38.603 0.88 105.907 ? 139 CYS D SG 1 4 +ATOM 5291 N N . LEU D 1 144 ? 11.12 -31.369 -41.117 1 73.333 ? 140 LEU D N 1 4 +ATOM 5292 C CA . LEU D 1 144 ? 11.381 -32.163 -42.288 1 78.866 ? 140 LEU D CA 1 4 +ATOM 5293 C C . LEU D 1 144 ? 10.757 -31.441 -43.469 1 76.033 ? 140 LEU D C 1 4 +ATOM 5294 O O . LEU D 1 144 ? 9.568 -31.167 -43.473 1 73.263 ? 140 LEU D O 1 4 +ATOM 5295 C CB . LEU D 1 144 ? 10.781 -33.549 -42.071 1 84.611 ? 140 LEU D CB 1 4 +ATOM 5296 C CG . LEU D 1 144 ? 11.063 -34.579 -43.168 1 84.252 ? 140 LEU D CG 1 4 +ATOM 5297 C CD1 . LEU D 1 144 ? 12.548 -34.78 -43.366 1 92.537 ? 140 LEU D CD1 1 4 +ATOM 5298 C CD2 . LEU D 1 144 ? 10.41 -35.89 -42.84 1 80.718 ? 140 LEU D CD2 1 4 +ATOM 5299 N N . VAL D 1 145 ? 11.601 -31.129 -44.445 1 72.609 ? 141 VAL D N 1 4 +ATOM 5300 C CA . VAL D 1 145 ? 11.188 -30.489 -45.664 1 74.443 ? 141 VAL D CA 1 4 +ATOM 5301 C C . VAL D 1 145 ? 11.265 -31.553 -46.734 1 75.551 ? 141 VAL D C 1 4 +ATOM 5302 O O . VAL D 1 145 ? 12.36 -31.887 -47.178 1 83.378 ? 141 VAL D O 1 4 +ATOM 5303 C CB . VAL D 1 145 ? 12.157 -29.326 -45.931 1 93.373 ? 141 VAL D CB 1 4 +ATOM 5304 C CG1 . VAL D 1 145 ? 11.805 -28.581 -47.215 1 106.631 ? 141 VAL D CG1 1 4 +ATOM 5305 C CG2 . VAL D 1 145 ? 12.23 -28.371 -44.745 1 98.857 ? 141 VAL D CG2 1 4 +ATOM 5306 N N . LYS D 1 146 ? 10.109 -32.101 -47.112 1 84.498 ? 142 LYS D N 1 4 +ATOM 5307 C CA . LYS D 1 146 ? 10.098 -33.244 -48.009 1 92.165 ? 142 LYS D CA 1 4 +ATOM 5308 C C . LYS D 1 146 ? 9.591 -32.843 -49.392 1 88.707 ? 142 LYS D C 1 4 +ATOM 5309 O O . LYS D 1 146 ? 8.794 -31.926 -49.51 1 90.938 ? 142 LYS D O 1 4 +ATOM 5310 C CB . LYS D 1 146 ? 9.301 -34.401 -47.395 1 94.995 ? 142 LYS D CB 1 4 +ATOM 5311 C CG . LYS D 1 146 ? 9.873 -35.757 -47.807 1 101.556 ? 142 LYS D CG 1 4 +ATOM 5312 C CD . LYS D 1 146 ? 9.232 -36.977 -47.168 1 107.559 ? 142 LYS D CD 1 4 +ATOM 5313 C CE . LYS D 1 146 ? 9.623 -38.263 -47.848 1 122.802 ? 142 LYS D CE 1 4 +ATOM 5314 N NZ . LYS D 1 146 ? 8.971 -38.528 -49.144 1 125.164 ? 142 LYS D NZ 1 4 +ATOM 5315 N N . ASP D 1 147 ? 10.106 -33.556 -50.409 1 92.067 ? 143 ASP D N 1 4 +ATOM 5316 C CA . ASP D 1 147 ? 9.612 -33.611 -51.787 1 93.043 ? 143 ASP D CA 1 4 +ATOM 5317 C C . ASP D 1 147 ? 9.47 -32.239 -52.43 1 83.588 ? 143 ASP D C 1 4 +ATOM 5318 O O . ASP D 1 147 ? 8.36 -31.735 -52.583 1 85.798 ? 143 ASP D O 1 4 +ATOM 5319 C CB . ASP D 1 147 ? 8.273 -34.323 -51.884 1 106.427 ? 143 ASP D CB 1 4 +ATOM 5320 C CG . ASP D 1 147 ? 8.262 -35.737 -51.326 1 108.994 ? 143 ASP D CG 1 4 +ATOM 5321 O OD1 . ASP D 1 147 ? 9.371 -36.299 -51.146 1 120.626 ? 143 ASP D OD1 1 4 +ATOM 5322 O OD2 . ASP D 1 147 ? 7.147 -36.218 -51.026 1 113.534 ? 143 ASP D OD2 1 4 +ATOM 5323 N N . TYR D 1 148 ? 10.597 -31.656 -52.845 1 85.427 ? 144 TYR D N 1 4 +ATOM 5324 C CA . TYR D 1 148 ? 10.575 -30.357 -53.502 1 90.897 ? 144 TYR D CA 1 4 +ATOM 5325 C C . TYR D 1 148 ? 11.564 -30.386 -54.665 1 88.531 ? 144 TYR D C 1 4 +ATOM 5326 O O . TYR D 1 148 ? 12.491 -31.188 -54.658 1 83.944 ? 144 TYR D O 1 4 +ATOM 5327 C CB . TYR D 1 148 ? 10.823 -29.211 -52.505 1 89.46 ? 144 TYR D CB 1 4 +ATOM 5328 C CG . TYR D 1 148 ? 12.231 -29.189 -51.926 1 83.463 ? 144 TYR D CG 1 4 +ATOM 5329 C CD1 . TYR D 1 148 ? 13.276 -28.573 -52.613 1 83.392 ? 144 TYR D CD1 1 4 +ATOM 5330 C CD2 . TYR D 1 148 ? 12.533 -29.816 -50.724 1 83.051 ? 144 TYR D CD2 1 4 +ATOM 5331 C CE1 . TYR D 1 148 ? 14.576 -28.572 -52.13 1 74.738 ? 144 TYR D CE1 1 4 +ATOM 5332 C CE2 . TYR D 1 148 ? 13.832 -29.817 -50.225 1 80.713 ? 144 TYR D CE2 1 4 +ATOM 5333 C CZ . TYR D 1 148 ? 14.853 -29.186 -50.927 1 71.306 ? 144 TYR D CZ 1 4 +ATOM 5334 O OH . TYR D 1 148 ? 16.149 -29.128 -50.522 1 60.282 ? 144 TYR D OH 1 4 +ATOM 5335 N N . PHE D 1 149 ? 11.375 -29.491 -55.645 1 84.75 ? 145 PHE D N 1 4 +ATOM 5336 C CA . PHE D 1 149 ? 12.262 -29.418 -56.793 1 82.677 ? 145 PHE D CA 1 4 +ATOM 5337 C C . PHE D 1 149 ? 12.088 -28.057 -57.434 1 85.14 ? 145 PHE D C 1 4 +ATOM 5338 O O . PHE D 1 149 ? 10.949 -27.657 -57.62 1 81.708 ? 145 PHE D O 1 4 +ATOM 5339 C CB . PHE D 1 149 ? 11.953 -30.465 -57.865 1 87.47 ? 145 PHE D CB 1 4 +ATOM 5340 C CG . PHE D 1 149 ? 12.953 -30.546 -59.009 1 89.748 ? 145 PHE D CG 1 4 +ATOM 5341 C CD1 . PHE D 1 149 ? 14.105 -31.317 -58.871 1 93.378 ? 145 PHE D CD1 1 4 +ATOM 5342 C CD2 . PHE D 1 149 ? 12.737 -29.88 -60.212 1 88.868 ? 145 PHE D CD2 1 4 +ATOM 5343 C CE1 . PHE D 1 149 ? 15.034 -31.418 -59.896 1 89.926 ? 145 PHE D CE1 1 4 +ATOM 5344 C CE2 . PHE D 1 149 ? 13.687 -29.957 -61.22 1 98.573 ? 145 PHE D CE2 1 4 +ATOM 5345 C CZ . PHE D 1 149 ? 14.845 -30.703 -61.048 1 95.883 ? 145 PHE D CZ 1 4 +ATOM 5346 N N . PRO D 1 150 ? 13.166 -27.351 -57.864 1 95.562 ? 146 PRO D N 1 4 +ATOM 5347 C CA . PRO D 1 150 ? 14.563 -27.757 -57.65 1 97.068 ? 146 PRO D CA 1 4 +ATOM 5348 C C . PRO D 1 150 ? 15.172 -27.156 -56.389 1 108.123 ? 146 PRO D C 1 4 +ATOM 5349 O O . PRO D 1 150 ? 14.461 -26.539 -55.583 1 99.197 ? 146 PRO D O 1 4 +ATOM 5350 C CB . PRO D 1 150 ? 15.252 -27.21 -58.894 1 87.703 ? 146 PRO D CB 1 4 +ATOM 5351 C CG . PRO D 1 150 ? 14.476 -25.963 -59.218 1 84.304 ? 146 PRO D CG 1 4 +ATOM 5352 C CD . PRO D 1 150 ? 13.072 -26.111 -58.654 1 89.891 ? 146 PRO D CD 1 4 +ATOM 5353 N N . GLU D 1 151 ? 16.5 -27.313 -56.251 1 107.3 ? 147 GLU D N 1 4 +ATOM 5354 C CA . GLU D 1 151 ? 17.221 -26.659 -55.174 1 97.911 ? 147 GLU D CA 1 4 +ATOM 5355 C C . GLU D 1 151 ? 17.189 -25.154 -55.439 1 98.339 ? 147 GLU D C 1 4 +ATOM 5356 O O . GLU D 1 151 ? 17.249 -24.738 -56.592 1 91.38 ? 147 GLU D O 1 4 +ATOM 5357 C CB . GLU D 1 151 ? 18.626 -27.259 -55.071 1 91.514 ? 147 GLU D CB 1 4 +ATOM 5358 C CG . GLU D 1 151 ? 18.684 -28.6 -54.344 1 94.571 ? 147 GLU D CG 1 4 +ATOM 5359 C CD . GLU D 1 151 ? 19.281 -28.517 -52.944 1 98.922 ? 147 GLU D CD 1 4 +ATOM 5360 O OE1 . GLU D 1 151 ? 18.643 -27.904 -52.058 1 88.231 ? 147 GLU D OE1 1 4 +ATOM 5361 O OE2 . GLU D 1 151 ? 20.407 -29.033 -52.755 1 114.025 ? 147 GLU D OE2 1 4 +ATOM 5362 N N . PRO D 1 152 ? 17.155 -24.272 -54.413 1 100.915 ? 148 PRO D N 1 4 +ATOM 5363 C CA . PRO D 1 152 ? 17.264 -24.643 -53.008 1 100.244 ? 148 PRO D CA 1 4 +ATOM 5364 C C . PRO D 1 152 ? 16.11 -24.199 -52.115 1 99.261 ? 148 PRO D C 1 4 +ATOM 5365 O O . PRO D 1 152 ? 15.176 -23.536 -52.567 1 95.919 ? 148 PRO D O 1 4 +ATOM 5366 C CB . PRO D 1 152 ? 18.504 -23.77 -52.787 1 92.536 ? 148 PRO D CB 1 4 +ATOM 5367 C CG . PRO D 1 152 ? 18.067 -22.444 -53.363 1 97.196 ? 148 PRO D CG 1 4 +ATOM 5368 C CD . PRO D 1 152 ? 17.156 -22.812 -54.544 1 103.658 ? 148 PRO D CD 1 4 +ATOM 5369 N N . VAL D 1 153 ? 16.244 -24.502 -50.823 1 99.352 ? 149 VAL D N 1 4 +ATOM 5370 C CA . VAL D 1 153 ? 15.309 -24.035 -49.814 1 97.738 ? 149 VAL D CA 1 4 +ATOM 5371 C C . VAL D 1 153 ? 16.115 -23.385 -48.711 1 85.772 ? 149 VAL D C 1 4 +ATOM 5372 O O . VAL D 1 153 ? 17.259 -23.728 -48.484 1 84.043 ? 149 VAL D O 1 4 +ATOM 5373 C CB . VAL D 1 153 ? 14.433 -25.149 -49.221 1 95.547 ? 149 VAL D CB 1 4 +ATOM 5374 C CG1 . VAL D 1 153 ? 13.327 -25.554 -50.172 1 110.669 ? 149 VAL D CG1 1 4 +ATOM 5375 C CG2 . VAL D 1 153 ? 15.255 -26.375 -48.876 1 101.076 ? 149 VAL D CG2 1 4 +ATOM 5376 N N . THR D 1 154 ? 15.489 -22.454 -48.021 1 86.029 ? 150 THR D N 1 4 +ATOM 5377 C CA . THR D 1 154 ? 16.159 -21.769 -46.945 1 89.754 ? 150 THR D CA 1 4 +ATOM 5378 C C . THR D 1 154 ? 15.412 -22.161 -45.679 1 88.749 ? 150 THR D C 1 4 +ATOM 5379 O O . THR D 1 154 ? 14.173 -22.154 -45.665 1 87.197 ? 150 THR D O 1 4 +ATOM 5380 C CB . THR D 1 154 ? 16.129 -20.269 -47.224 1 102.193 ? 150 THR D CB 1 4 +ATOM 5381 O OG1 . THR D 1 154 ? 15.027 -19.773 -46.466 1 124.677 ? 150 THR D OG1 1 4 +ATOM 5382 C CG2 . THR D 1 154 ? 15.978 -19.936 -48.699 1 102.212 ? 150 THR D CG2 1 4 +ATOM 5383 N N . VAL D 1 155 ? 16.184 -22.528 -44.647 1 80.394 ? 151 VAL D N 1 4 +ATOM 5384 C CA . VAL D 1 155 ? 15.605 -22.941 -43.379 1 88.661 ? 151 VAL D CA 1 4 +ATOM 5385 C C . VAL D 1 155 ? 16.165 -22.026 -42.306 1 81.968 ? 151 VAL D C 1 4 +ATOM 5386 O O . VAL D 1 155 ? 17.369 -21.8 -42.307 1 83.505 ? 151 VAL D O 1 4 +ATOM 5387 C CB . VAL D 1 155 ? 15.89 -24.408 -43.002 1 91.815 ? 151 VAL D CB 1 4 +ATOM 5388 C CG1 . VAL D 1 155 ? 15.013 -24.873 -41.848 1 97.463 ? 151 VAL D CG1 1 4 +ATOM 5389 C CG2 . VAL D 1 155 ? 15.68 -25.332 -44.179 1 100.864 ? 151 VAL D CG2 1 4 +ATOM 5390 N N . SER D 1 156 ? 15.305 -21.54 -41.4 1 72.868 ? 152 SER D N 1 4 +ATOM 5391 C CA . SER D 1 156 ? 15.768 -20.751 -40.27 1 78.878 ? 152 SER D CA 1 4 +ATOM 5392 C C . SER D 1 156 ? 14.985 -21.177 -39.036 1 82.339 ? 152 SER D C 1 4 +ATOM 5393 O O . SER D 1 156 ? 13.932 -21.794 -39.168 1 78.443 ? 152 SER D O 1 4 +ATOM 5394 C CB . SER D 1 156 ? 15.644 -19.248 -40.527 1 85.025 ? 152 SER D CB 1 4 +ATOM 5395 O OG . SER D 1 156 ? 14.28 -18.853 -40.668 1 96.081 ? 152 SER D OG 1 4 +ATOM 5396 N N . TRP D 1 157 ? 15.491 -20.842 -37.839 1 92.157 ? 153 TRP D N 1 4 +ATOM 5397 C CA . TRP D 1 157 ? 14.753 -21.11 -36.612 1 96.798 ? 153 TRP D CA 1 4 +ATOM 5398 C C . TRP D 1 157 ? 14.457 -19.807 -35.887 1 109.41 ? 153 TRP D C 1 4 +ATOM 5399 O O . TRP D 1 157 ? 15.345 -18.974 -35.734 1 103.746 ? 153 TRP D O 1 4 +ATOM 5400 C CB . TRP D 1 157 ? 15.518 -22.081 -35.709 1 95.051 ? 153 TRP D CB 1 4 +ATOM 5401 C CG . TRP D 1 157 ? 15.453 -23.487 -36.233 1 93.756 ? 153 TRP D CG 1 4 +ATOM 5402 C CD1 . TRP D 1 157 ? 16.346 -24.143 -37.037 1 79.553 ? 153 TRP D CD1 1 4 +ATOM 5403 C CD2 . TRP D 1 157 ? 14.371 -24.402 -35.982 1 84.288 ? 153 TRP D CD2 1 4 +ATOM 5404 N NE1 . TRP D 1 157 ? 15.876 -25.392 -37.322 1 76.913 ? 153 TRP D NE1 1 4 +ATOM 5405 C CE2 . TRP D 1 157 ? 14.682 -25.587 -36.674 1 83.11 ? 153 TRP D CE2 1 4 +ATOM 5406 C CE3 . TRP D 1 157 ? 13.193 -24.331 -35.239 1 77.554 ? 153 TRP D CE3 1 4 +ATOM 5407 C CZ2 . TRP D 1 157 ? 13.847 -26.697 -36.63 1 86.726 ? 153 TRP D CZ2 1 4 +ATOM 5408 C CZ3 . TRP D 1 157 ? 12.379 -25.438 -35.188 1 76.895 ? 153 TRP D CZ3 1 4 +ATOM 5409 C CH2 . TRP D 1 157 ? 12.703 -26.601 -35.871 1 78.332 ? 153 TRP D CH2 1 4 +ATOM 5410 N N . ASN D 1 158 ? 13.188 -19.646 -35.485 1 104.14 ? 154 ASN D N 1 4 +ATOM 5411 C CA . ASN D 1 158 ? 12.718 -18.471 -34.773 1 102.219 ? 154 ASN D CA 1 4 +ATOM 5412 C C . ASN D 1 158 ? 13.01 -17.191 -35.567 1 95.576 ? 154 ASN D C 1 4 +ATOM 5413 O O . ASN D 1 158 ? 13.353 -16.171 -34.987 1 95.913 ? 154 ASN D O 1 4 +ATOM 5414 C CB . ASN D 1 158 ? 13.277 -18.478 -33.355 1 111.613 ? 154 ASN D CB 1 4 +ATOM 5415 C CG . ASN D 1 158 ? 12.753 -19.617 -32.513 1 114.683 ? 154 ASN D CG 1 4 +ATOM 5416 O OD1 . ASN D 1 158 ? 11.884 -20.37 -32.953 1 104.614 ? 154 ASN D OD1 1 4 +ATOM 5417 N ND2 . ASN D 1 158 ? 13.214 -19.72 -31.277 1 128.037 ? 154 ASN D ND2 1 4 +ATOM 5418 N N . SER D 1 159 ? 12.818 -17.26 -36.89 1 97.399 ? 155 SER D N 1 4 +ATOM 5419 C CA . SER D 1 159 ? 12.965 -16.173 -37.858 1 93.448 ? 155 SER D CA 1 4 +ATOM 5420 C C . SER D 1 159 ? 14.404 -15.684 -37.943 1 90.552 ? 155 SER D C 1 4 +ATOM 5421 O O . SER D 1 159 ? 14.612 -14.531 -38.245 1 88.679 ? 155 SER D O 1 4 +ATOM 5422 C CB . SER D 1 159 ? 12.013 -14.992 -37.606 1 92.106 ? 155 SER D CB 1 4 +ATOM 5423 O OG . SER D 1 159 ? 10.661 -15.392 -37.404 1 92.725 ? 155 SER D OG 1 4 +ATOM 5424 N N . GLY D 1 160 ? 15.394 -16.552 -37.721 1 96.843 ? 156 GLY D N 1 4 +ATOM 5425 C CA . GLY D 1 160 ? 16.792 -16.154 -37.83 1 98.945 ? 156 GLY D CA 1 4 +ATOM 5426 C C . GLY D 1 160 ? 17.471 -16 -36.464 1 103.601 ? 156 GLY D C 1 4 +ATOM 5427 O O . GLY D 1 160 ? 18.71 -15.934 -36.41 1 84.545 ? 156 GLY D O 1 4 +ATOM 5428 N N . ALA D 1 161 ? 16.66 -15.984 -35.38 1 106.354 ? 157 ALA D N 1 4 +ATOM 5429 C CA . ALA D 1 161 ? 17.122 -15.723 -34.014 1 114.643 ? 157 ALA D CA 1 4 +ATOM 5430 C C . ALA D 1 161 ? 17.862 -16.909 -33.393 1 122.315 ? 157 ALA D C 1 4 +ATOM 5431 O O . ALA D 1 161 ? 18.86 -16.709 -32.704 1 128.891 ? 157 ALA D O 1 4 +ATOM 5432 C CB . ALA D 1 161 ? 15.969 -15.319 -33.121 1 115.269 ? 157 ALA D CB 1 4 +ATOM 5433 N N . LEU D 1 162 ? 17.362 -18.134 -33.594 1 121.981 ? 158 LEU D N 1 4 +ATOM 5434 C CA . LEU D 1 162 ? 17.992 -19.317 -33.028 1 113.501 ? 158 LEU D CA 1 4 +ATOM 5435 C C . LEU D 1 162 ? 19.044 -19.893 -33.976 1 96.205 ? 158 LEU D C 1 4 +ATOM 5436 O O . LEU D 1 162 ? 18.712 -20.271 -35.097 1 90.443 ? 158 LEU D O 1 4 +ATOM 5437 C CB . LEU D 1 162 ? 16.926 -20.357 -32.722 1 108.679 ? 158 LEU D CB 1 4 +ATOM 5438 C CG . LEU D 1 162 ? 17.468 -21.611 -32.047 1 111.226 ? 158 LEU D CG 1 4 +ATOM 5439 C CD1 . LEU D 1 162 ? 18.144 -21.28 -30.721 1 115.746 ? 158 LEU D CD1 1 4 +ATOM 5440 C CD2 . LEU D 1 162 ? 16.319 -22.565 -31.859 1 122.769 ? 158 LEU D CD2 1 4 +ATOM 5441 N N . THR D 1 163 ? 20.308 -19.942 -33.514 1 92.663 ? 159 THR D N 1 4 +ATOM 5442 C CA . THR D 1 163 ? 21.398 -20.599 -34.231 1 97.978 ? 159 THR D CA 1 4 +ATOM 5443 C C . THR D 1 163 ? 22.196 -21.534 -33.317 1 98.351 ? 159 THR D C 1 4 +ATOM 5444 O O . THR D 1 163 ? 22.941 -22.374 -33.813 1 107.96 ? 159 THR D O 1 4 +ATOM 5445 C CB . THR D 1 163 ? 22.358 -19.608 -34.898 1 94.114 ? 159 THR D CB 1 4 +ATOM 5446 O OG1 . THR D 1 163 ? 22.962 -18.868 -33.845 1 102.366 ? 159 THR D OG1 1 4 +ATOM 5447 C CG2 . THR D 1 163 ? 21.69 -18.696 -35.912 1 94.239 ? 159 THR D CG2 1 4 +ATOM 5448 N N . SER D 1 164 ? 22.066 -21.397 -32 1 97.885 ? 160 SER D N 1 4 +ATOM 5449 C CA . SER D 1 164 ? 22.802 -22.225 -31.06 1 109.469 ? 160 SER D CA 1 4 +ATOM 5450 C C . SER D 1 164 ? 22.303 -23.67 -31.097 1 104.794 ? 160 SER D C 1 4 +ATOM 5451 O O . SER D 1 164 ? 21.146 -23.933 -30.762 1 103.467 ? 160 SER D O 1 4 +ATOM 5452 C CB . SER D 1 164 ? 22.664 -21.647 -29.676 1 135.519 ? 160 SER D CB 1 4 +ATOM 5453 O OG . SER D 1 164 ? 23.309 -22.463 -28.712 1 156.343 ? 160 SER D OG 1 4 +ATOM 5454 N N . GLY D 1 165 ? 23.195 -24.603 -31.466 1 103.366 ? 161 GLY D N 1 4 +ATOM 5455 C CA . GLY D 1 165 ? 22.894 -26.028 -31.469 1 107.077 ? 161 GLY D CA 1 4 +ATOM 5456 C C . GLY D 1 165 ? 22.007 -26.458 -32.642 1 105.223 ? 161 GLY D C 1 4 +ATOM 5457 O O . GLY D 1 165 ? 21.404 -27.54 -32.605 1 108.206 ? 161 GLY D O 1 4 +ATOM 5458 N N . VAL D 1 166 ? 21.981 -25.624 -33.692 1 96.339 ? 162 VAL D N 1 4 +ATOM 5459 C CA . VAL D 1 166 ? 21.178 -25.868 -34.883 1 93.459 ? 162 VAL D CA 1 4 +ATOM 5460 C C . VAL D 1 166 ? 22.045 -26.622 -35.888 1 90.741 ? 162 VAL D C 1 4 +ATOM 5461 O O . VAL D 1 166 ? 23.204 -26.281 -36.058 1 87.466 ? 162 VAL D O 1 4 +ATOM 5462 C CB . VAL D 1 166 ? 20.605 -24.571 -35.497 1 77.502 ? 162 VAL D CB 1 4 +ATOM 5463 C CG1 . VAL D 1 166 ? 19.895 -24.801 -36.827 1 67.626 ? 162 VAL D CG1 1 4 +ATOM 5464 C CG2 . VAL D 1 166 ? 19.671 -23.875 -34.515 1 81.528 ? 162 VAL D CG2 1 4 +ATOM 5465 N N . HIS D 1 167 ? 21.481 -27.675 -36.49 1 89.799 ? 163 HIS D N 1 4 +ATOM 5466 C CA . HIS D 1 167 ? 22.136 -28.427 -37.541 1 86.584 ? 163 HIS D CA 1 4 +ATOM 5467 C C . HIS D 1 167 ? 21.164 -28.507 -38.722 1 85.047 ? 163 HIS D C 1 4 +ATOM 5468 O O . HIS D 1 167 ? 20.17 -29.232 -38.638 1 82.148 ? 163 HIS D O 1 4 +ATOM 5469 C CB . HIS D 1 167 ? 22.484 -29.826 -37.013 1 86.951 ? 163 HIS D CB 1 4 +ATOM 5470 C CG . HIS D 1 167 ? 23.49 -29.893 -35.904 1 86.256 ? 163 HIS D CG 1 4 +ATOM 5471 N ND1 . HIS D 1 167 ? 24.726 -29.284 -35.937 1 83.194 ? 163 HIS D ND1 1 4 +ATOM 5472 C CD2 . HIS D 1 167 ? 23.46 -30.59 -34.748 1 89.854 ? 163 HIS D CD2 1 4 +ATOM 5473 C CE1 . HIS D 1 167 ? 25.4 -29.574 -34.824 1 83.446 ? 163 HIS D CE1 1 4 +ATOM 5474 N NE2 . HIS D 1 167 ? 24.655 -30.379 -34.091 1 84.88 ? 163 HIS D NE2 1 4 +ATOM 5475 N N . THR D 1 168 ? 21.415 -27.759 -39.807 1 77.618 ? 164 THR D N 1 4 +ATOM 5476 C CA . THR D 1 168 ? 20.624 -27.947 -41.019 1 75.216 ? 164 THR D CA 1 4 +ATOM 5477 C C . THR D 1 168 ? 21.398 -28.778 -42.033 1 75.842 ? 164 THR D C 1 4 +ATOM 5478 O O . THR D 1 168 ? 22.444 -28.361 -42.525 1 81.086 ? 164 THR D O 1 4 +ATOM 5479 C CB . THR D 1 168 ? 20.201 -26.637 -41.67 1 79.433 ? 164 THR D CB 1 4 +ATOM 5480 O OG1 . THR D 1 168 ? 19.361 -26 -40.708 1 84.684 ? 164 THR D OG1 1 4 +ATOM 5481 C CG2 . THR D 1 168 ? 19.437 -26.873 -42.966 1 82.847 ? 164 THR D CG2 1 4 +ATOM 5482 N N . PHE D 1 169 ? 20.817 -29.922 -42.4 1 76.308 ? 165 PHE D N 1 4 +ATOM 5483 C CA . PHE D 1 169 ? 21.509 -30.916 -43.202 1 74.953 ? 165 PHE D CA 1 4 +ATOM 5484 C C . PHE D 1 169 ? 21.41 -30.659 -44.71 1 72.591 ? 165 PHE D C 1 4 +ATOM 5485 O O . PHE D 1 169 ? 20.436 -30.11 -45.237 1 68.432 ? 165 PHE D O 1 4 +ATOM 5486 C CB . PHE D 1 169 ? 20.919 -32.275 -42.833 1 75.447 ? 165 PHE D CB 1 4 +ATOM 5487 C CG . PHE D 1 169 ? 21.206 -32.689 -41.399 1 70.216 ? 165 PHE D CG 1 4 +ATOM 5488 C CD1 . PHE D 1 169 ? 22.36 -33.397 -41.089 1 69.731 ? 165 PHE D CD1 1 4 +ATOM 5489 C CD2 . PHE D 1 169 ? 20.305 -32.399 -40.38 1 65.44 ? 165 PHE D CD2 1 4 +ATOM 5490 C CE1 . PHE D 1 169 ? 22.618 -33.783 -39.784 1 72.341 ? 165 PHE D CE1 1 4 +ATOM 5491 C CE2 . PHE D 1 169 ? 20.562 -32.793 -39.079 1 64.919 ? 165 PHE D CE2 1 4 +ATOM 5492 C CZ . PHE D 1 169 ? 21.726 -33.475 -38.779 1 69.358 ? 165 PHE D CZ 1 4 +ATOM 5493 N N . PRO D 1 170 ? 22.446 -31.113 -45.457 1 71.073 ? 166 PRO D N 1 4 +ATOM 5494 C CA . PRO D 1 170 ? 22.432 -31.135 -46.914 1 74.51 ? 166 PRO D CA 1 4 +ATOM 5495 C C . PRO D 1 170 ? 21.239 -31.928 -47.406 1 79.857 ? 166 PRO D C 1 4 +ATOM 5496 O O . PRO D 1 170 ? 21.01 -33.037 -46.955 1 86.696 ? 166 PRO D O 1 4 +ATOM 5497 C CB . PRO D 1 170 ? 23.749 -31.807 -47.34 1 68.871 ? 166 PRO D CB 1 4 +ATOM 5498 C CG . PRO D 1 170 ? 24.635 -31.667 -46.145 1 65.553 ? 166 PRO D CG 1 4 +ATOM 5499 C CD . PRO D 1 170 ? 23.71 -31.648 -44.939 1 70.559 ? 166 PRO D CD 1 4 +ATOM 5500 N N . ALA D 1 171 ? 20.519 -31.35 -48.366 1 84.397 ? 167 ALA D N 1 4 +ATOM 5501 C CA . ALA D 1 171 ? 19.425 -32.034 -49.024 1 82.688 ? 167 ALA D CA 1 4 +ATOM 5502 C C . ALA D 1 171 ? 19.981 -33.248 -49.75 1 79.738 ? 167 ALA D C 1 4 +ATOM 5503 O O . ALA D 1 171 ? 21.1 -33.225 -50.244 1 82.539 ? 167 ALA D O 1 4 +ATOM 5504 C CB . ALA D 1 171 ? 18.732 -31.085 -49.985 1 87.589 ? 167 ALA D CB 1 4 +ATOM 5505 N N . VAL D 1 172 ? 19.181 -34.305 -49.824 1 79.221 ? 168 VAL D N 1 4 +ATOM 5506 C CA . VAL D 1 172 ? 19.559 -35.467 -50.605 1 84.757 ? 168 VAL D CA 1 4 +ATOM 5507 C C . VAL D 1 172 ? 18.496 -35.63 -51.688 1 88.715 ? 168 VAL D C 1 4 +ATOM 5508 O O . VAL D 1 172 ? 17.348 -35.231 -51.486 1 87.41 ? 168 VAL D O 1 4 +ATOM 5509 C CB . VAL D 1 172 ? 19.75 -36.756 -49.765 1 88.438 ? 168 VAL D CB 1 4 +ATOM 5510 C CG1 . VAL D 1 172 ? 20.763 -36.573 -48.641 1 82.617 ? 168 VAL D CG1 1 4 +ATOM 5511 C CG2 . VAL D 1 172 ? 18.436 -37.29 -49.201 1 96.442 ? 168 VAL D CG2 1 4 +ATOM 5512 N N . LEU D 1 173 ? 18.889 -36.226 -52.825 1 87.01 ? 169 LEU D N 1 4 +ATOM 5513 C CA . LEU D 1 173 ? 17.965 -36.488 -53.917 1 87.576 ? 169 LEU D CA 1 4 +ATOM 5514 C C . LEU D 1 173 ? 17.337 -37.868 -53.755 1 81.854 ? 169 LEU D C 1 4 +ATOM 5515 O O . LEU D 1 173 ? 18.047 -38.861 -53.77 1 74.178 ? 169 LEU D O 1 4 +ATOM 5516 C CB . LEU D 1 173 ? 18.677 -36.379 -55.263 1 95.326 ? 169 LEU D CB 1 4 +ATOM 5517 C CG . LEU D 1 173 ? 17.77 -36.42 -56.497 1 102.418 ? 169 LEU D CG 1 4 +ATOM 5518 C CD1 . LEU D 1 173 ? 16.846 -35.191 -56.508 1 108.513 ? 169 LEU D CD1 1 4 +ATOM 5519 C CD2 . LEU D 1 173 ? 18.595 -36.565 -57.768 1 102.072 ? 169 LEU D CD2 1 4 +ATOM 5520 N N . GLN D 1 174 ? 16.002 -37.928 -53.679 1 88.919 ? 170 GLN D N 1 4 +ATOM 5521 C CA . GLN D 1 174 ? 15.294 -39.193 -53.526 1 94.794 ? 170 GLN D CA 1 4 +ATOM 5522 C C . GLN D 1 174 ? 15.193 -39.882 -54.892 1 95.747 ? 170 GLN D C 1 4 +ATOM 5523 O O . GLN D 1 174 ? 15.347 -39.252 -55.937 1 89.548 ? 170 GLN D O 1 4 +ATOM 5524 C CB . GLN D 1 174 ? 13.927 -38.962 -52.875 1 97.328 ? 170 GLN D CB 1 4 +ATOM 5525 C CG . GLN D 1 174 ? 13.982 -38.192 -51.558 1 100.581 ? 170 GLN D CG 1 4 +ATOM 5526 C CD . GLN D 1 174 ? 12.621 -37.9 -50.957 1 115.836 ? 170 GLN D CD 1 4 +ATOM 5527 O OE1 . GLN D 1 174 ? 12.395 -38.073 -49.753 1 117.191 ? 170 GLN D OE1 1 4 +ATOM 5528 N NE2 . GLN D 1 174 ? 11.711 -37.399 -51.781 1 129.674 ? 170 GLN D NE2 1 4 +ATOM 5529 N N . SER D 1 175 ? 14.914 -41.192 -54.884 1 98.021 ? 171 SER D N 1 4 +ATOM 5530 C CA . SER D 1 175 ? 14.735 -41.937 -56.123 1 97.377 ? 171 SER D CA 1 4 +ATOM 5531 C C . SER D 1 175 ? 13.563 -41.377 -56.938 1 97.217 ? 171 SER D C 1 4 +ATOM 5532 O O . SER D 1 175 ? 13.466 -41.635 -58.136 1 93.905 ? 171 SER D O 1 4 +ATOM 5533 C CB . SER D 1 175 ? 14.577 -43.413 -55.847 1 96.095 ? 171 SER D CB 1 4 +ATOM 5534 O OG . SER D 1 175 ? 13.377 -43.67 -55.136 1 96.994 ? 171 SER D OG 1 4 +ATOM 5535 N N . SER D 1 176 ? 12.682 -40.612 -56.274 1 100.045 ? 172 SER D N 1 4 +ATOM 5536 C CA . SER D 1 176 ? 11.533 -39.968 -56.906 1 104.345 ? 172 SER D CA 1 4 +ATOM 5537 C C . SER D 1 176 ? 11.937 -38.748 -57.737 1 100.274 ? 172 SER D C 1 4 +ATOM 5538 O O . SER D 1 176 ? 11.107 -38.201 -58.476 1 93.82 ? 172 SER D O 1 4 +ATOM 5539 C CB . SER D 1 176 ? 10.468 -39.59 -55.878 1 97.29 ? 172 SER D CB 1 4 +ATOM 5540 O OG . SER D 1 176 ? 10.98 -38.741 -54.866 1 80.571 ? 172 SER D OG 1 4 +ATOM 5541 N N . GLY D 1 177 ? 13.199 -38.316 -57.593 1 95.076 ? 173 GLY D N 1 4 +ATOM 5542 C CA . GLY D 1 177 ? 13.701 -37.156 -58.312 1 89.479 ? 173 GLY D CA 1 4 +ATOM 5543 C C . GLY D 1 177 ? 13.43 -35.86 -57.556 1 85.035 ? 173 GLY D C 1 4 +ATOM 5544 O O . GLY D 1 177 ? 13.752 -34.804 -58.06 1 89.614 ? 173 GLY D O 1 4 +ATOM 5545 N N . LEU D 1 178 ? 12.85 -35.945 -56.355 1 86.836 ? 174 LEU D N 1 4 +ATOM 5546 C CA . LEU D 1 178 ? 12.593 -34.778 -55.528 1 88.042 ? 174 LEU D CA 1 4 +ATOM 5547 C C . LEU D 1 178 ? 13.611 -34.723 -54.392 1 90.027 ? 174 LEU D C 1 4 +ATOM 5548 O O . LEU D 1 178 ? 14.047 -35.751 -53.891 1 89.752 ? 174 LEU D O 1 4 +ATOM 5549 C CB . LEU D 1 178 ? 11.171 -34.838 -54.972 1 91.014 ? 174 LEU D CB 1 4 +ATOM 5550 C CG . LEU D 1 178 ? 10.054 -34.951 -56.014 1 95.253 ? 174 LEU D CG 1 4 +ATOM 5551 C CD1 . LEU D 1 178 ? 8.796 -35.514 -55.391 1 99.021 ? 174 LEU D CD1 1 4 +ATOM 5552 C CD2 . LEU D 1 178 ? 9.762 -33.606 -56.625 1 99.404 ? 174 LEU D CD2 1 4 +ATOM 5553 N N . TYR D 1 179 ? 13.959 -33.501 -53.967 1 93.332 ? 175 TYR D N 1 4 +ATOM 5554 C CA . TYR D 1 179 ? 14.904 -33.281 -52.882 1 85.337 ? 175 TYR D CA 1 4 +ATOM 5555 C C . TYR D 1 179 ? 14.176 -33.337 -51.544 1 79.884 ? 175 TYR D C 1 4 +ATOM 5556 O O . TYR D 1 179 ? 12.985 -33.082 -51.456 1 78.941 ? 175 TYR D O 1 4 +ATOM 5557 C CB . TYR D 1 179 ? 15.632 -31.948 -53.084 1 83.576 ? 175 TYR D CB 1 4 +ATOM 5558 C CG . TYR D 1 179 ? 16.585 -31.901 -54.28 1 83.516 ? 175 TYR D CG 1 4 +ATOM 5559 C CD1 . TYR D 1 179 ? 17.91 -32.329 -54.166 1 75.202 ? 175 TYR D CD1 1 4 +ATOM 5560 C CD2 . TYR D 1 179 ? 16.163 -31.405 -55.516 1 79.248 ? 175 TYR D CD2 1 4 +ATOM 5561 C CE1 . TYR D 1 179 ? 18.785 -32.255 -55.238 1 78.812 ? 175 TYR D CE1 1 4 +ATOM 5562 C CE2 . TYR D 1 179 ? 17.021 -31.356 -56.599 1 83.956 ? 175 TYR D CE2 1 4 +ATOM 5563 C CZ . TYR D 1 179 ? 18.333 -31.774 -56.457 1 87.476 ? 175 TYR D CZ 1 4 +ATOM 5564 O OH . TYR D 1 179 ? 19.158 -31.697 -57.538 1 105.894 ? 175 TYR D OH 1 4 +ATOM 5565 N N . SER D 1 180 ? 14.923 -33.642 -50.49 1 81.197 ? 176 SER D N 1 4 +ATOM 5566 C CA . SER D 1 180 ? 14.357 -33.703 -49.157 1 83.738 ? 176 SER D CA 1 4 +ATOM 5567 C C . SER D 1 180 ? 15.451 -33.427 -48.122 1 84.719 ? 176 SER D C 1 4 +ATOM 5568 O O . SER D 1 180 ? 16.529 -34.024 -48.199 1 87.899 ? 176 SER D O 1 4 +ATOM 5569 C CB . SER D 1 180 ? 13.706 -35.044 -48.951 1 87.723 ? 176 SER D CB 1 4 +ATOM 5570 O OG . SER D 1 180 ? 13.166 -35.148 -47.644 1 99.34 ? 176 SER D OG 1 4 +ATOM 5571 N N . LEU D 1 181 ? 15.183 -32.512 -47.172 1 73.115 ? 177 LEU D N 1 4 +ATOM 5572 C CA . LEU D 1 181 ? 16.177 -32.202 -46.161 1 73.244 ? 177 LEU D CA 1 4 +ATOM 5573 C C . LEU D 1 181 ? 15.522 -31.939 -44.817 1 74.499 ? 177 LEU D C 1 4 +ATOM 5574 O O . LEU D 1 181 ? 14.392 -31.487 -44.754 1 79.845 ? 177 LEU D O 1 4 +ATOM 5575 C CB . LEU D 1 181 ? 17.08 -31.053 -46.581 1 75.11 ? 177 LEU D CB 1 4 +ATOM 5576 C CG . LEU D 1 181 ? 16.627 -29.609 -46.314 1 77.123 ? 177 LEU D CG 1 4 +ATOM 5577 C CD1 . LEU D 1 181 ? 16.901 -29.077 -44.931 1 74.474 ? 177 LEU D CD1 1 4 +ATOM 5578 C CD2 . LEU D 1 181 ? 17.357 -28.696 -47.294 1 76.819 ? 177 LEU D CD2 1 4 +ATOM 5579 N N . SER D 1 182 ? 16.268 -32.244 -43.756 1 75.598 ? 178 SER D N 1 4 +ATOM 5580 C CA . SER D 1 182 ? 15.817 -32.008 -42.403 1 84.338 ? 178 SER D CA 1 4 +ATOM 5581 C C . SER D 1 182 ? 16.716 -30.958 -41.751 1 79.371 ? 178 SER D C 1 4 +ATOM 5582 O O . SER D 1 182 ? 17.882 -30.839 -42.118 1 72.529 ? 178 SER D O 1 4 +ATOM 5583 C CB . SER D 1 182 ? 15.827 -33.287 -41.624 1 96.525 ? 178 SER D CB 1 4 +ATOM 5584 O OG . SER D 1 182 ? 17.157 -33.688 -41.306 1 105.399 ? 178 SER D OG 1 4 +ATOM 5585 N N . SER D 1 183 ? 16.148 -30.208 -40.798 1 69.794 ? 179 SER D N 1 4 +ATOM 5586 C CA . SER D 1 183 ? 16.863 -29.276 -39.952 1 67.921 ? 179 SER D CA 1 4 +ATOM 5587 C C . SER D 1 183 ? 16.505 -29.584 -38.515 1 68.68 ? 179 SER D C 1 4 +ATOM 5588 O O . SER D 1 183 ? 15.328 -29.73 -38.228 1 66.201 ? 179 SER D O 1 4 +ATOM 5589 C CB . SER D 1 183 ? 16.447 -27.882 -40.264 1 81.332 ? 179 SER D CB 1 4 +ATOM 5590 O OG . SER D 1 183 ? 17.139 -26.925 -39.476 1 86.911 ? 179 SER D OG 1 4 +ATOM 5591 N N . VAL D 1 184 ? 17.488 -29.621 -37.609 1 70.186 ? 180 VAL D N 1 4 +ATOM 5592 C CA . VAL D 1 184 ? 17.196 -29.937 -36.22 1 74.283 ? 180 VAL D CA 1 4 +ATOM 5593 C C . VAL D 1 184 ? 17.857 -28.929 -35.291 1 72.38 ? 180 VAL D C 1 4 +ATOM 5594 O O . VAL D 1 184 ? 18.74 -28.169 -35.68 1 74.534 ? 180 VAL D O 1 4 +ATOM 5595 C CB . VAL D 1 184 ? 17.666 -31.357 -35.862 1 82.708 ? 180 VAL D CB 1 4 +ATOM 5596 C CG1 . VAL D 1 184 ? 17.021 -32.393 -36.782 1 94.454 ? 180 VAL D CG1 1 4 +ATOM 5597 C CG2 . VAL D 1 184 ? 19.195 -31.453 -35.883 1 86.766 ? 180 VAL D CG2 1 4 +ATOM 5598 N N . VAL D 1 185 ? 17.444 -28.98 -34.025 1 78.677 ? 181 VAL D N 1 4 +ATOM 5599 C CA . VAL D 1 185 ? 18.084 -28.189 -32.99 1 88.645 ? 181 VAL D CA 1 4 +ATOM 5600 C C . VAL D 1 185 ? 18.036 -28.941 -31.657 1 83.782 ? 181 VAL D C 1 4 +ATOM 5601 O O . VAL D 1 185 ? 16.977 -29.368 -31.234 1 78.867 ? 181 VAL D O 1 4 +ATOM 5602 C CB . VAL D 1 185 ? 17.442 -26.785 -32.926 1 94.874 ? 181 VAL D CB 1 4 +ATOM 5603 C CG1 . VAL D 1 185 ? 15.914 -26.804 -32.992 1 90.691 ? 181 VAL D CG1 1 4 +ATOM 5604 C CG2 . VAL D 1 185 ? 17.915 -26.01 -31.705 1 107.758 ? 181 VAL D CG2 1 4 +ATOM 5605 N N . THR D 1 186 ? 19.206 -29.111 -31.022 1 88.606 ? 182 THR D N 1 4 +ATOM 5606 C CA . THR D 1 186 ? 19.317 -29.744 -29.714 1 89.044 ? 182 THR D CA 1 4 +ATOM 5607 C C . THR D 1 186 ? 19.273 -28.682 -28.613 1 84.583 ? 182 THR D C 1 4 +ATOM 5608 O O . THR D 1 186 ? 19.883 -27.63 -28.731 1 89.06 ? 182 THR D O 1 4 +ATOM 5609 C CB . THR D 1 186 ? 20.592 -30.592 -29.63 1 94.46 ? 182 THR D CB 1 4 +ATOM 5610 O OG1 . THR D 1 186 ? 21.664 -30.053 -30.405 1 94.761 ? 182 THR D OG1 1 4 +ATOM 5611 C CG2 . THR D 1 186 ? 20.395 -31.959 -30.242 1 95.529 ? 182 THR D CG2 1 4 +ATOM 5612 N N . VAL D 1 187 ? 18.538 -28.976 -27.539 1 80.607 ? 183 VAL D N 1 4 +ATOM 5613 C CA . VAL D 1 187 ? 18.338 -28.087 -26.403 1 80.875 ? 183 VAL D CA 1 4 +ATOM 5614 C C . VAL D 1 187 ? 18.279 -28.958 -25.146 1 83.908 ? 183 VAL D C 1 4 +ATOM 5615 O O . VAL D 1 187 ? 17.847 -30.094 -25.204 1 92.793 ? 183 VAL D O 1 4 +ATOM 5616 C CB . VAL D 1 187 ? 17.038 -27.262 -26.541 1 85.008 ? 183 VAL D CB 1 4 +ATOM 5617 C CG1 . VAL D 1 187 ? 17.137 -26.159 -27.596 1 85.465 ? 183 VAL D CG1 1 4 +ATOM 5618 C CG2 . VAL D 1 187 ? 15.805 -28.123 -26.835 1 86.516 ? 183 VAL D CG2 1 4 +ATOM 5619 N N . PRO D 1 188 ? 18.694 -28.506 -23.949 1 89.178 ? 184 PRO D N 1 4 +ATOM 5620 C CA . PRO D 1 188 ? 18.526 -29.317 -22.743 1 93.348 ? 184 PRO D CA 1 4 +ATOM 5621 C C . PRO D 1 188 ? 17.075 -29.726 -22.524 1 89.552 ? 184 PRO D C 1 4 +ATOM 5622 O O . PRO D 1 188 ? 16.162 -28.948 -22.78 1 84.931 ? 184 PRO D O 1 4 +ATOM 5623 C CB . PRO D 1 188 ? 19.046 -28.389 -21.629 1 102.844 ? 184 PRO D CB 1 4 +ATOM 5624 C CG . PRO D 1 188 ? 20.033 -27.502 -22.343 1 100.382 ? 184 PRO D CG 1 4 +ATOM 5625 C CD . PRO D 1 188 ? 19.366 -27.232 -23.687 1 98.266 ? 184 PRO D CD 1 4 +ATOM 5626 N N . SER D 1 189 ? 16.867 -30.956 -22.047 1 95.971 ? 185 SER D N 1 4 +ATOM 5627 C CA . SER D 1 189 ? 15.515 -31.474 -21.905 1 106.874 ? 185 SER D CA 1 4 +ATOM 5628 C C . SER D 1 189 ? 14.734 -30.687 -20.853 1 95.306 ? 185 SER D C 1 4 +ATOM 5629 O O . SER D 1 189 ? 13.514 -30.732 -20.849 1 97.067 ? 185 SER D O 1 4 +ATOM 5630 C CB . SER D 1 189 ? 15.474 -32.991 -21.64 1 117.712 ? 185 SER D CB 1 4 +ATOM 5631 O OG . SER D 1 189 ? 16.118 -33.39 -20.437 1 123.437 ? 185 SER D OG 1 4 +ATOM 5632 N N . SER D 1 190 ? 15.426 -29.969 -19.967 1 96.093 ? 186 SER D N 1 4 +ATOM 5633 C CA . SER D 1 190 ? 14.76 -29.184 -18.93 1 101.447 ? 186 SER D CA 1 4 +ATOM 5634 C C . SER D 1 190 ? 14.289 -27.818 -19.443 1 98.605 ? 186 SER D C 1 4 +ATOM 5635 O O . SER D 1 190 ? 13.592 -27.115 -18.732 1 104.574 ? 186 SER D O 1 4 +ATOM 5636 C CB . SER D 1 190 ? 15.63 -29.041 -17.698 1 105.881 ? 186 SER D CB 1 4 +ATOM 5637 O OG . SER D 1 190 ? 16.981 -28.739 -18.031 1 111.496 ? 186 SER D OG 1 4 +ATOM 5638 N N . SER D 1 191 ? 14.644 -27.442 -20.67 1 90.599 ? 187 SER D N 1 4 +ATOM 5639 C CA . SER D 1 191 ? 14.221 -26.179 -21.245 1 92.359 ? 187 SER D CA 1 4 +ATOM 5640 C C . SER D 1 191 ? 13.101 -26.377 -22.265 1 105.701 ? 187 SER D C 1 4 +ATOM 5641 O O . SER D 1 191 ? 13.001 -25.608 -23.24 1 109.236 ? 187 SER D O 1 4 +ATOM 5642 C CB . SER D 1 191 ? 15.398 -25.519 -21.928 1 97.722 ? 187 SER D CB 1 4 +ATOM 5643 O OG . SER D 1 191 ? 15.79 -26.208 -23.118 1 91.478 ? 187 SER D OG 1 4 +ATOM 5644 N N . LEU D 1 192 ? 12.292 -27.434 -22.116 1 111.055 ? 188 LEU D N 1 4 +ATOM 5645 C CA . LEU D 1 192 ? 11.357 -27.75 -23.187 1 116.083 ? 188 LEU D CA 1 4 +ATOM 5646 C C . LEU D 1 192 ? 10.075 -26.957 -23.001 1 127.766 ? 188 LEU D C 1 4 +ATOM 5647 O O . LEU D 1 192 ? 9.575 -26.342 -23.955 1 145.821 ? 188 LEU D O 1 4 +ATOM 5648 C CB . LEU D 1 192 ? 11.067 -29.234 -23.316 1 105.616 ? 188 LEU D CB 1 4 +ATOM 5649 C CG . LEU D 1 192 ? 12.096 -29.985 -24.151 1 104.821 ? 188 LEU D CG 1 4 +ATOM 5650 C CD1 . LEU D 1 192 ? 11.813 -31.471 -23.993 1 108.315 ? 188 LEU D CD1 1 4 +ATOM 5651 C CD2 . LEU D 1 192 ? 12.039 -29.531 -25.618 1 104.135 ? 188 LEU D CD2 1 4 +ATOM 5652 N N . GLY D 1 193 ? 9.576 -26.983 -21.766 1 115.865 ? 189 GLY D N 1 4 +ATOM 5653 C CA . GLY D 1 193 ? 8.371 -26.251 -21.456 1 126.117 ? 189 GLY D CA 1 4 +ATOM 5654 C C . GLY D 1 193 ? 8.615 -24.742 -21.367 1 124.005 ? 189 GLY D C 1 4 +ATOM 5655 O O . GLY D 1 193 ? 7.866 -24.072 -20.672 1 138.131 ? 189 GLY D O 1 4 +ATOM 5656 N N . THR D 1 194 ? 9.626 -24.189 -22.053 1 110.844 ? 190 THR D N 1 4 +ATOM 5657 C CA . THR D 1 194 ? 9.989 -22.803 -21.803 1 116.926 ? 190 THR D CA 1 4 +ATOM 5658 C C . THR D 1 194 ? 10.32 -22.024 -23.081 1 126.629 ? 190 THR D C 1 4 +ATOM 5659 O O . THR D 1 194 ? 10.6 -20.829 -23.006 1 123.775 ? 190 THR D O 1 4 +ATOM 5660 C CB . THR D 1 194 ? 11.151 -22.749 -20.815 1 115.244 ? 190 THR D CB 1 4 +ATOM 5661 O OG1 . THR D 1 194 ? 11.055 -21.448 -20.25 1 122.821 ? 190 THR D OG1 1 4 +ATOM 5662 C CG2 . THR D 1 194 ? 12.525 -22.849 -21.458 1 120.341 ? 190 THR D CG2 1 4 +ATOM 5663 N N . GLN D 1 195 ? 10.265 -22.651 -24.259 1 126.916 ? 191 GLN D N 1 4 +ATOM 5664 C CA . GLN D 1 195 ? 10.55 -21.895 -25.467 1 117.729 ? 191 GLN D CA 1 4 +ATOM 5665 C C . GLN D 1 195 ? 9.745 -22.466 -26.625 1 118.961 ? 191 GLN D C 1 4 +ATOM 5666 O O . GLN D 1 195 ? 9.572 -23.696 -26.739 1 126.786 ? 191 GLN D O 1 4 +ATOM 5667 C CB . GLN D 1 195 ? 12.054 -21.935 -25.734 1 125.968 ? 191 GLN D CB 1 4 +ATOM 5668 C CG . GLN D 1 195 ? 12.6 -20.766 -26.548 1 117.771 ? 191 GLN D CG 1 4 +ATOM 5669 C CD . GLN D 1 195 ? 13.906 -20.262 -25.968 1 121.309 ? 191 GLN D CD 1 4 +ATOM 5670 O OE1 . GLN D 1 195 ? 14.07 -20.125 -24.744 1 116.028 ? 191 GLN D OE1 1 4 +ATOM 5671 N NE2 . GLN D 1 195 ? 14.869 -20.026 -26.848 1 124.304 ? 191 GLN D NE2 1 4 +ATOM 5672 N N . THR D 1 196 ? 9.286 -21.541 -27.483 1 112.735 ? 192 THR D N 1 4 +ATOM 5673 C CA . THR D 1 196 ? 8.579 -21.898 -28.704 1 116.885 ? 192 THR D CA 1 4 +ATOM 5674 C C . THR D 1 196 ? 9.562 -21.913 -29.876 1 114.638 ? 192 THR D C 1 4 +ATOM 5675 O O . THR D 1 196 ? 10.272 -20.927 -30.131 1 108.234 ? 192 THR D O 1 4 +ATOM 5676 C CB . THR D 1 196 ? 7.397 -20.956 -28.93 1 113.338 ? 192 THR D CB 1 4 +ATOM 5677 O OG1 . THR D 1 196 ? 6.375 -21.523 -28.114 1 142.884 ? 192 THR D OG1 1 4 +ATOM 5678 C CG2 . THR D 1 196 ? 6.858 -20.985 -30.347 1 109.142 ? 192 THR D CG2 1 4 +ATOM 5679 N N . TYR D 1 197 ? 9.577 -23.056 -30.589 1 107.77 ? 193 TYR D N 1 4 +ATOM 5680 C CA . TYR D 1 197 ? 10.468 -23.224 -31.728 1 102.787 ? 193 TYR D CA 1 4 +ATOM 5681 C C . TYR D 1 197 ? 9.633 -23.236 -33.01 1 101.965 ? 193 TYR D C 1 4 +ATOM 5682 O O . TYR D 1 197 ? 8.732 -24.04 -33.124 1 113.452 ? 193 TYR D O 1 4 +ATOM 5683 C CB . TYR D 1 197 ? 11.359 -24.458 -31.517 1 96.332 ? 193 TYR D CB 1 4 +ATOM 5684 C CG . TYR D 1 197 ? 12.13 -24.483 -30.191 1 102.82 ? 193 TYR D CG 1 4 +ATOM 5685 C CD1 . TYR D 1 197 ? 13.315 -23.759 -30.007 1 92.167 ? 193 TYR D CD1 1 4 +ATOM 5686 C CD2 . TYR D 1 197 ? 11.666 -25.235 -29.105 1 123.935 ? 193 TYR D CD2 1 4 +ATOM 5687 C CE1 . TYR D 1 197 ? 14.011 -23.778 -28.802 1 97.244 ? 193 TYR D CE1 1 4 +ATOM 5688 C CE2 . TYR D 1 197 ? 12.352 -25.27 -27.896 1 124.179 ? 193 TYR D CE2 1 4 +ATOM 5689 C CZ . TYR D 1 197 ? 13.521 -24.529 -27.738 1 118.657 ? 193 TYR D CZ 1 4 +ATOM 5690 O OH . TYR D 1 197 ? 14.175 -24.559 -26.527 1 121.304 ? 193 TYR D OH 1 4 +ATOM 5691 N N . ILE D 1 198 ? 9.931 -22.328 -33.951 1 103.423 ? 194 ILE D N 1 4 +ATOM 5692 C CA . ILE D 1 198 ? 9.274 -22.265 -35.248 1 96.645 ? 194 ILE D CA 1 4 +ATOM 5693 C C . ILE D 1 198 ? 10.327 -22.304 -36.359 1 96.02 ? 194 ILE D C 1 4 +ATOM 5694 O O . ILE D 1 198 ? 11.246 -21.474 -36.393 1 91.122 ? 194 ILE D O 1 4 +ATOM 5695 C CB . ILE D 1 198 ? 8.408 -20.997 -35.347 1 97.973 ? 194 ILE D CB 1 4 +ATOM 5696 C CG1 . ILE D 1 198 ? 7.175 -21.057 -34.451 1 99.871 ? 194 ILE D CG1 1 4 +ATOM 5697 C CG2 . ILE D 1 198 ? 7.998 -20.764 -36.793 1 104.139 ? 194 ILE D CG2 1 4 +ATOM 5698 C CD1 . ILE D 1 198 ? 6.167 -19.942 -34.709 1 96.611 ? 194 ILE D CD1 1 4 +ATOM 5699 N N . CYS D 1 199 ? 10.185 -23.254 -37.297 1 93.44 ? 195 CYS D N 1 4 +ATOM 5700 C CA . CYS D 1 199 ? 11.12 -23.313 -38.412 1 101.959 ? 195 CYS D CA 1 4 +ATOM 5701 C C . CYS D 1 199 ? 10.516 -22.591 -39.61 1 83.409 ? 195 CYS D C 1 4 +ATOM 5702 O O . CYS D 1 199 ? 9.36 -22.788 -39.949 1 73.457 ? 195 CYS D O 1 4 +ATOM 5703 C CB . CYS D 1 199 ? 11.577 -24.726 -38.767 1 112.14 ? 195 CYS D CB 1 4 +ATOM 5704 S SG . CYS D 1 199 ? 10.32 -25.721 -39.592 0.88 112.133 ? 195 CYS D SG 1 4 +ATOM 5705 N N . ASN D 1 200 ? 11.329 -21.747 -40.237 1 81.236 ? 196 ASN D N 1 4 +ATOM 5706 C CA . ASN D 1 200 ? 10.872 -20.922 -41.336 1 87.758 ? 196 ASN D CA 1 4 +ATOM 5707 C C . ASN D 1 200 ? 11.472 -21.541 -42.598 1 85.643 ? 196 ASN D C 1 4 +ATOM 5708 O O . ASN D 1 200 ? 12.697 -21.662 -42.733 1 79.601 ? 196 ASN D O 1 4 +ATOM 5709 C CB . ASN D 1 200 ? 11.199 -19.441 -41.115 1 90.65 ? 196 ASN D CB 1 4 +ATOM 5710 C CG . ASN D 1 200 ? 11.291 -19.116 -39.642 1 92.298 ? 196 ASN D CG 1 4 +ATOM 5711 O OD1 . ASN D 1 200 ? 12.337 -19.311 -39.019 1 95.945 ? 196 ASN D OD1 1 4 +ATOM 5712 N ND2 . ASN D 1 200 ? 10.203 -18.678 -39.03 1 102.791 ? 196 ASN D ND2 1 4 +ATOM 5713 N N . VAL D 1 201 ? 10.581 -21.928 -43.518 1 82.312 ? 197 VAL D N 1 4 +ATOM 5714 C CA . VAL D 1 201 ? 11.006 -22.526 -44.762 1 83.942 ? 197 VAL D CA 1 4 +ATOM 5715 C C . VAL D 1 201 ? 10.605 -21.629 -45.92 1 84.705 ? 197 VAL D C 1 4 +ATOM 5716 O O . VAL D 1 201 ? 9.457 -21.192 -45.995 1 80.711 ? 197 VAL D O 1 4 +ATOM 5717 C CB . VAL D 1 201 ? 10.345 -23.902 -44.845 1 90.517 ? 197 VAL D CB 1 4 +ATOM 5718 C CG1 . VAL D 1 201 ? 10.451 -24.48 -46.249 1 102.161 ? 197 VAL D CG1 1 4 +ATOM 5719 C CG2 . VAL D 1 201 ? 10.962 -24.834 -43.813 1 96.846 ? 197 VAL D CG2 1 4 +ATOM 5720 N N . ASN D 1 202 ? 11.559 -21.382 -46.815 1 85.768 ? 198 ASN D N 1 4 +ATOM 5721 C CA . ASN D 1 202 ? 11.241 -20.654 -48.022 1 102.741 ? 198 ASN D CA 1 4 +ATOM 5722 C C . ASN D 1 202 ? 11.73 -21.446 -49.234 1 98.545 ? 198 ASN D C 1 4 +ATOM 5723 O O . ASN D 1 202 ? 12.889 -21.848 -49.28 1 92.286 ? 198 ASN D O 1 4 +ATOM 5724 C CB . ASN D 1 202 ? 11.811 -19.241 -47.975 1 117.514 ? 198 ASN D CB 1 4 +ATOM 5725 C CG . ASN D 1 202 ? 11.208 -18.357 -49.037 1 139.879 ? 198 ASN D CG 1 4 +ATOM 5726 O OD1 . ASN D 1 202 ? 11.841 -17.382 -49.455 1 143.917 ? 198 ASN D OD1 1 4 +ATOM 5727 N ND2 . ASN D 1 202 ? 10.001 -18.672 -49.492 1 158.024 ? 198 ASN D ND2 1 4 +ATOM 5728 N N . HIS D 1 203 ? 10.838 -21.649 -50.216 1 93.408 ? 199 HIS D N 1 4 +ATOM 5729 C CA . HIS D 1 203 ? 11.203 -22.244 -51.491 1 87.794 ? 199 HIS D CA 1 4 +ATOM 5730 C C . HIS D 1 203 ? 10.871 -21.251 -52.599 1 93.099 ? 199 HIS D C 1 4 +ATOM 5731 O O . HIS D 1 203 ? 9.751 -21.211 -53.083 1 96.169 ? 199 HIS D O 1 4 +ATOM 5732 C CB . HIS D 1 203 ? 10.472 -23.571 -51.737 1 81.178 ? 199 HIS D CB 1 4 +ATOM 5733 C CG . HIS D 1 203 ? 11.041 -24.346 -52.884 1 85.481 ? 199 HIS D CG 1 4 +ATOM 5734 N ND1 . HIS D 1 203 ? 10.272 -24.923 -53.866 1 98.645 ? 199 HIS D ND1 1 4 +ATOM 5735 C CD2 . HIS D 1 203 ? 12.315 -24.675 -53.2 1 87.768 ? 199 HIS D CD2 1 4 +ATOM 5736 C CE1 . HIS D 1 203 ? 11.063 -25.559 -54.734 1 95.399 ? 199 HIS D CE1 1 4 +ATOM 5737 N NE2 . HIS D 1 203 ? 12.311 -25.427 -54.345 1 83.735 ? 199 HIS D NE2 1 4 +ATOM 5738 N N . LYS D 1 204 ? 11.84 -20.433 -53.003 1 101.426 ? 200 LYS D N 1 4 +ATOM 5739 C CA . LYS D 1 204 ? 11.555 -19.376 -53.962 1 102.249 ? 200 LYS D CA 1 4 +ATOM 5740 C C . LYS D 1 204 ? 11.137 -19.952 -55.312 1 104.208 ? 200 LYS D C 1 4 +ATOM 5741 O O . LYS D 1 204 ? 10.217 -19.384 -55.888 1 110.17 ? 200 LYS D O 1 4 +ATOM 5742 C CB . LYS D 1 204 ? 12.697 -18.37 -54.105 1 113.756 ? 200 LYS D CB 1 4 +ATOM 5743 C CG . LYS D 1 204 ? 12.91 -17.541 -52.84 1 140.304 ? 200 LYS D CG 1 4 +ATOM 5744 C CD . LYS D 1 204 ? 13.938 -16.42 -52.983 1 155.975 ? 200 LYS D CD 1 4 +ATOM 5745 C CE . LYS D 1 204 ? 14.58 -15.996 -51.695 1 149.268 ? 200 LYS D CE 1 4 +ATOM 5746 N NZ . LYS D 1 204 ? 15.826 -15.283 -51.972 1 147.792 ? 200 LYS D NZ 1 4 +ATOM 5747 N N . PRO D 1 205 ? 11.728 -21.057 -55.862 1 99.331 ? 201 PRO D N 1 4 +ATOM 5748 C CA . PRO D 1 205 ? 11.293 -21.591 -57.164 1 91.157 ? 201 PRO D CA 1 4 +ATOM 5749 C C . PRO D 1 205 ? 9.8 -21.919 -57.301 1 88.255 ? 201 PRO D C 1 4 +ATOM 5750 O O . PRO D 1 205 ? 9.283 -21.968 -58.411 1 84.108 ? 201 PRO D O 1 4 +ATOM 5751 C CB . PRO D 1 205 ? 12.151 -22.855 -57.355 1 84.15 ? 201 PRO D CB 1 4 +ATOM 5752 C CG . PRO D 1 205 ? 13.376 -22.61 -56.503 1 83.875 ? 201 PRO D CG 1 4 +ATOM 5753 C CD . PRO D 1 205 ? 12.836 -21.856 -55.296 1 90.395 ? 201 PRO D CD 1 4 +ATOM 5754 N N . SER D 1 206 ? 9.103 -22.111 -56.177 1 84.236 ? 202 SER D N 1 4 +ATOM 5755 C CA . SER D 1 206 ? 7.677 -22.372 -56.183 1 86.044 ? 202 SER D CA 1 4 +ATOM 5756 C C . SER D 1 206 ? 6.901 -21.362 -55.337 1 94.048 ? 202 SER D C 1 4 +ATOM 5757 O O . SER D 1 206 ? 5.712 -21.57 -55.116 1 106.568 ? 202 SER D O 1 4 +ATOM 5758 C CB . SER D 1 206 ? 7.433 -23.769 -55.669 1 89.128 ? 202 SER D CB 1 4 +ATOM 5759 O OG . SER D 1 206 ? 7.88 -23.93 -54.329 1 78.005 ? 202 SER D OG 1 4 +ATOM 5760 N N . ASN D 1 207 ? 7.556 -20.288 -54.863 1 100.119 ? 203 ASN D N 1 4 +ATOM 5761 C CA . ASN D 1 207 ? 6.972 -19.307 -53.942 1 111.38 ? 203 ASN D CA 1 4 +ATOM 5762 C C . ASN D 1 207 ? 6.213 -19.974 -52.792 1 118.573 ? 203 ASN D C 1 4 +ATOM 5763 O O . ASN D 1 207 ? 5.019 -19.718 -52.585 1 128.42 ? 203 ASN D O 1 4 +ATOM 5764 C CB . ASN D 1 207 ? 6.118 -18.25 -54.641 1 103.309 ? 203 ASN D CB 1 4 +ATOM 5765 C CG . ASN D 1 207 ? 6.983 -17.184 -55.262 1 102.853 ? 203 ASN D CG 1 4 +ATOM 5766 O OD1 . ASN D 1 207 ? 8.19 -17.109 -55 1 93.839 ? 203 ASN D OD1 1 4 +ATOM 5767 N ND2 . ASN D 1 207 ? 6.38 -16.348 -56.087 1 114.04 ? 203 ASN D ND2 1 4 +ATOM 5768 N N . THR D 1 208 ? 6.968 -20.767 -52.02 1 100.595 ? 204 THR D N 1 4 +ATOM 5769 C CA . THR D 1 208 ? 6.457 -21.445 -50.848 1 106.638 ? 204 THR D CA 1 4 +ATOM 5770 C C . THR D 1 208 ? 7.105 -20.832 -49.617 1 103.692 ? 204 THR D C 1 4 +ATOM 5771 O O . THR D 1 208 ? 8.327 -20.788 -49.509 1 101.073 ? 204 THR D O 1 4 +ATOM 5772 C CB . THR D 1 208 ? 6.795 -22.93 -50.925 1 118.273 ? 204 THR D CB 1 4 +ATOM 5773 O OG1 . THR D 1 208 ? 6.423 -23.417 -52.215 1 120.131 ? 204 THR D OG1 1 4 +ATOM 5774 C CG2 . THR D 1 208 ? 6.106 -23.708 -49.819 1 123.203 ? 204 THR D CG2 1 4 +ATOM 5775 N N . LYS D 1 209 ? 6.281 -20.376 -48.677 1 104.172 ? 205 LYS D N 1 4 +ATOM 5776 C CA . LYS D 1 209 ? 6.803 -19.857 -47.429 1 109.063 ? 205 LYS D CA 1 4 +ATOM 5777 C C . LYS D 1 209 ? 5.977 -20.486 -46.32 1 100.389 ? 205 LYS D C 1 4 +ATOM 5778 O O . LYS D 1 209 ? 4.81 -20.151 -46.163 1 109.322 ? 205 LYS D O 1 4 +ATOM 5779 C CB . LYS D 1 209 ? 6.76 -18.321 -47.4 1 133.42 ? 205 LYS D CB 1 4 +ATOM 5780 C CG . LYS D 1 209 ? 7.972 -17.642 -46.737 1 141.396 ? 205 LYS D CG 1 4 +ATOM 5781 C CD . LYS D 1 209 ? 7.773 -16.222 -46.196 1 139.525 ? 205 LYS D CD 1 4 +ATOM 5782 C CE . LYS D 1 209 ? 6.815 -16.076 -45.039 1 127.054 ? 205 LYS D CE 1 4 +ATOM 5783 N NZ . LYS D 1 209 ? 6.839 -14.744 -44.428 1 117.808 ? 205 LYS D NZ 1 4 +ATOM 5784 N N . VAL D 1 210 ? 6.578 -21.426 -45.592 1 96.478 ? 206 VAL D N 1 4 +ATOM 5785 C CA . VAL D 1 210 ? 5.891 -22.106 -44.511 1 94.116 ? 206 VAL D CA 1 4 +ATOM 5786 C C . VAL D 1 210 ? 6.595 -21.79 -43.194 1 99.549 ? 206 VAL D C 1 4 +ATOM 5787 O O . VAL D 1 210 ? 7.823 -21.771 -43.115 1 92.82 ? 206 VAL D O 1 4 +ATOM 5788 C CB . VAL D 1 210 ? 5.875 -23.624 -44.762 1 102.38 ? 206 VAL D CB 1 4 +ATOM 5789 C CG1 . VAL D 1 210 ? 5.087 -24.374 -43.701 1 100.507 ? 206 VAL D CG1 1 4 +ATOM 5790 C CG2 . VAL D 1 210 ? 5.342 -23.969 -46.144 1 113.929 ? 206 VAL D CG2 1 4 +ATOM 5791 N N . ASP D 1 211 ? 5.788 -21.563 -42.15 1 101.221 ? 207 ASP D N 1 4 +ATOM 5792 C CA . ASP D 1 211 ? 6.259 -21.421 -40.782 1 89.751 ? 207 ASP D CA 1 4 +ATOM 5793 C C . ASP D 1 211 ? 5.666 -22.598 -40.021 1 82.842 ? 207 ASP D C 1 4 +ATOM 5794 O O . ASP D 1 211 ? 4.454 -22.647 -39.805 1 81.204 ? 207 ASP D O 1 4 +ATOM 5795 C CB . ASP D 1 211 ? 5.844 -20.07 -40.203 1 96.685 ? 207 ASP D CB 1 4 +ATOM 5796 C CG . ASP D 1 211 ? 6.604 -18.834 -40.684 1 108.78 ? 207 ASP D CG 1 4 +ATOM 5797 O OD1 . ASP D 1 211 ? 7.759 -19.008 -41.186 1 117.323 ? 207 ASP D OD1 1 4 +ATOM 5798 O OD2 . ASP D 1 211 ? 6.037 -17.703 -40.573 1 112.495 ? 207 ASP D OD2 1 4 +ATOM 5799 N N . LYS D 1 212 ? 6.502 -23.576 -39.665 1 85.625 ? 208 LYS D N 1 4 +ATOM 5800 C CA . LYS D 1 212 ? 6.035 -24.69 -38.842 1 96.37 ? 208 LYS D CA 1 4 +ATOM 5801 C C . LYS D 1 212 ? 6.447 -24.511 -37.377 1 99.332 ? 208 LYS D C 1 4 +ATOM 5802 O O . LYS D 1 212 ? 7.642 -24.424 -37.077 1 91.384 ? 208 LYS D O 1 4 +ATOM 5803 C CB . LYS D 1 212 ? 6.529 -26.05 -39.346 1 93.763 ? 208 LYS D CB 1 4 +ATOM 5804 C CG . LYS D 1 212 ? 5.659 -27.237 -38.944 1 97.515 ? 208 LYS D CG 1 4 +ATOM 5805 C CD . LYS D 1 212 ? 4.306 -27.281 -39.646 1 104.591 ? 208 LYS D CD 1 4 +ATOM 5806 C CE . LYS D 1 212 ? 3.221 -27.896 -38.822 1 109.425 ? 208 LYS D CE 1 4 +ATOM 5807 N NZ . LYS D 1 212 ? 1.935 -27.668 -39.487 1 112.989 ? 208 LYS D NZ 1 4 +ATOM 5808 N N . ARG D 1 213 ? 5.431 -24.489 -36.495 1 95.393 ? 209 ARG D N 1 4 +ATOM 5809 C CA . ARG D 1 213 ? 5.587 -24.395 -35.058 1 98.537 ? 209 ARG D CA 1 4 +ATOM 5810 C C . ARG D 1 213 ? 5.697 -25.813 -34.522 1 94.987 ? 209 ARG D C 1 4 +ATOM 5811 O O . ARG D 1 213 ? 4.777 -26.597 -34.674 1 98.084 ? 209 ARG D O 1 4 +ATOM 5812 C CB . ARG D 1 213 ? 4.378 -23.686 -34.432 1 114.467 ? 209 ARG D CB 1 4 +ATOM 5813 C CG . ARG D 1 213 ? 4.357 -23.587 -32.913 1 125.128 ? 209 ARG D CG 1 4 +ATOM 5814 C CD . ARG D 1 213 ? 2.934 -23.541 -32.326 1 132.761 ? 209 ARG D CD 1 4 +ATOM 5815 N NE . ARG D 1 213 ? 2.98 -23.601 -30.858 1 153.087 ? 209 ARG D NE 1 4 +ATOM 5816 C CZ . ARG D 1 213 ? 1.971 -23.524 -29.978 1 155.184 ? 209 ARG D CZ 1 4 +ATOM 5817 N NH1 . ARG D 1 213 ? 0.713 -23.385 -30.362 1 151.708 ? 209 ARG D NH1 1 4 +ATOM 5818 N NH2 . ARG D 1 213 ? 2.239 -23.586 -28.685 1 155.028 ? 209 ARG D NH2 1 4 +ATOM 5819 N N . VAL D 1 214 ? 6.819 -26.122 -33.871 1 103.113 ? 210 VAL D N 1 4 +ATOM 5820 C CA . VAL D 1 214 ? 7.095 -27.465 -33.388 1 93.721 ? 210 VAL D CA 1 4 +ATOM 5821 C C . VAL D 1 214 ? 6.738 -27.551 -31.906 1 99.329 ? 210 VAL D C 1 4 +ATOM 5822 O O . VAL D 1 214 ? 7.391 -26.928 -31.044 1 85.348 ? 210 VAL D O 1 4 +ATOM 5823 C CB . VAL D 1 214 ? 8.553 -27.89 -33.62 1 85.313 ? 210 VAL D CB 1 4 +ATOM 5824 C CG1 . VAL D 1 214 ? 8.733 -29.363 -33.283 1 89.933 ? 210 VAL D CG1 1 4 +ATOM 5825 C CG2 . VAL D 1 214 ? 9.005 -27.617 -35.049 1 83.27 ? 210 VAL D CG2 1 4 +ATOM 5826 N N . GLU D 1 215 ? 5.689 -28.348 -31.645 1 108.406 ? 211 GLU D N 1 4 +ATOM 5827 C CA . GLU D 1 215 ? 5.181 -28.54 -30.296 1 126.14 ? 211 GLU D CA 1 4 +ATOM 5828 C C . GLU D 1 215 ? 5.69 -29.88 -29.769 1 110.911 ? 211 GLU D C 1 4 +ATOM 5829 O O . GLU D 1 215 ? 5.652 -30.88 -30.478 1 117.868 ? 211 GLU D O 1 4 +ATOM 5830 C CB . GLU D 1 215 ? 3.653 -28.432 -30.227 1 137.319 ? 211 GLU D CB 1 4 +ATOM 5831 C CG . GLU D 1 215 ? 3.093 -27.009 -30.335 1 153.409 ? 211 GLU D CG 1 4 +ATOM 5832 C CD . GLU D 1 215 ? 1.614 -26.871 -29.976 1 168.16 ? 211 GLU D CD 1 4 +ATOM 5833 O OE1 . GLU D 1 215 ? 0.808 -26.623 -30.893 1 175.787 ? 211 GLU D OE1 1 4 +ATOM 5834 O OE2 . GLU D 1 215 ? 1.246 -26.984 -28.787 1 170.864 ? 211 GLU D OE2 1 4 +ATOM 5835 N N . PRO D 1 216 ? 6.163 -29.956 -28.503 1 112.747 ? 212 PRO D N 1 4 +ATOM 5836 C CA . PRO D 1 216 ? 6.554 -31.229 -27.898 1 110.635 ? 212 PRO D CA 1 4 +ATOM 5837 C C . PRO D 1 216 ? 5.332 -32.105 -27.64 1 103.395 ? 212 PRO D C 1 4 +ATOM 5838 O O . PRO D 1 216 ? 4.506 -31.778 -26.797 1 105.742 ? 212 PRO D O 1 4 +ATOM 5839 C CB . PRO D 1 216 ? 7.298 -30.84 -26.591 1 111.218 ? 212 PRO D CB 1 4 +ATOM 5840 C CG . PRO D 1 216 ? 7.464 -29.319 -26.65 1 122.064 ? 212 PRO D CG 1 4 +ATOM 5841 C CD . PRO D 1 216 ? 6.365 -28.826 -27.581 1 129.662 ? 212 PRO D CD 1 4 +ATOM 5842 N N . LYS D 1 217 ? 5.223 -33.214 -28.376 1 102.799 ? 213 LYS D N 1 4 +ATOM 5843 C CA . LYS D 1 217 ? 4.21 -34.216 -28.065 1 120.407 ? 213 LYS D CA 1 4 +ATOM 5844 C C . LYS D 1 217 ? 4.656 -35.108 -26.892 1 116.44 ? 213 LYS D C 1 4 +ATOM 5845 O O . LYS D 1 217 ? 5.828 -35.45 -26.783 1 110.666 ? 213 LYS D O 1 4 +ATOM 5846 C CB . LYS D 1 217 ? 3.821 -34.916 -29.378 1 135.267 ? 213 LYS D CB 1 4 +ATOM 5847 C CG . LYS D 1 217 ? 4.493 -36.238 -29.773 1 148.073 ? 213 LYS D CG 1 4 +ATOM 5848 C CD . LYS D 1 217 ? 3.649 -37.027 -30.786 1 144.666 ? 213 LYS D CD 1 4 +ATOM 5849 C CE . LYS D 1 217 ? 3.558 -38.52 -30.564 1 141.985 ? 213 LYS D CE 1 4 +ATOM 5850 N NZ . LYS D 1 217 ? 2.266 -39.041 -31.029 1 146.332 ? 213 LYS D NZ 1 4 +ATOM 5851 N N . SER D 1 218 ? 3.706 -35.487 -26.016 1 116.232 ? 214 SER D N 1 4 +ATOM 5852 C CA . SER D 1 218 ? 3.936 -36.417 -24.907 1 120.911 ? 214 SER D CA 1 4 +ATOM 5853 C C . SER D 1 218 ? 2.946 -37.591 -24.984 1 110.011 ? 214 SER D C 1 4 +ATOM 5854 O O . SER D 1 218 ? 3.023 -38.316 -25.993 1 105.967 ? 214 SER D O 1 4 +ATOM 5855 C CB . SER D 1 218 ? 3.851 -35.745 -23.535 1 121.787 ? 214 SER D CB 1 4 +ATOM 5856 O OG . SER D 1 218 ? 3.618 -36.688 -22.485 1 108.236 ? 214 SER D OG 1 4 +ATOM 5857 N N . ASP E 2 1 ? 44.191 -28.628 -72.448 1 122.934 ? 1 ASP E N 1 5 +ATOM 5858 C CA . ASP E 2 1 ? 44.627 -29.999 -72.069 1 115.096 ? 1 ASP E CA 1 5 +ATOM 5859 C C . ASP E 2 1 ? 45.794 -29.984 -71.069 1 108.612 ? 1 ASP E C 1 5 +ATOM 5860 O O . ASP E 2 1 ? 46.545 -30.955 -71.023 1 123.153 ? 1 ASP E O 1 5 +ATOM 5861 C CB . ASP E 2 1 ? 44.925 -30.811 -73.317 1 106.717 ? 1 ASP E CB 1 5 +ATOM 5862 C CG . ASP E 2 1 ? 45.37 -32.218 -72.982 1 103.083 ? 1 ASP E CG 1 5 +ATOM 5863 O OD1 . ASP E 2 1 ? 44.581 -32.927 -72.294 1 94.826 ? 1 ASP E OD1 1 5 +ATOM 5864 O OD2 . ASP E 2 1 ? 46.525 -32.536 -73.332 1 100.895 ? 1 ASP E OD2 1 5 +ATOM 5865 N N . ILE E 2 2 ? 45.962 -28.939 -70.243 1 95.001 ? 2 ILE E N 1 5 +ATOM 5866 C CA . ILE E 2 2 ? 46.857 -29.072 -69.091 1 104.3 ? 2 ILE E CA 1 5 +ATOM 5867 C C . ILE E 2 2 ? 46.037 -29.655 -67.938 1 103.126 ? 2 ILE E C 1 5 +ATOM 5868 O O . ILE E 2 2 ? 45.05 -29.06 -67.522 1 101.984 ? 2 ILE E O 1 5 +ATOM 5869 C CB . ILE E 2 2 ? 47.558 -27.766 -68.646 1 104.263 ? 2 ILE E CB 1 5 +ATOM 5870 C CG1 . ILE E 2 2 ? 48.288 -27.068 -69.778 1 109.719 ? 2 ILE E CG1 1 5 +ATOM 5871 C CG2 . ILE E 2 2 ? 48.513 -28.019 -67.472 1 94.788 ? 2 ILE E CG2 1 5 +ATOM 5872 C CD1 . ILE E 2 2 ? 49.068 -25.839 -69.336 1 107.69 ? 2 ILE E CD1 1 5 +ATOM 5873 N N . VAL E 2 3 ? 46.456 -30.812 -67.413 1 99.045 ? 3 VAL E N 1 5 +ATOM 5874 C CA . VAL E 2 3 ? 45.695 -31.498 -66.382 1 100.067 ? 3 VAL E CA 1 5 +ATOM 5875 C C . VAL E 2 3 ? 46.347 -31.274 -65.018 1 100.133 ? 3 VAL E C 1 5 +ATOM 5876 O O . VAL E 2 3 ? 47.554 -31.436 -64.86 1 104.055 ? 3 VAL E O 1 5 +ATOM 5877 C CB . VAL E 2 3 ? 45.607 -33.002 -66.71 1 108.553 ? 3 VAL E CB 1 5 +ATOM 5878 C CG1 . VAL E 2 3 ? 44.827 -33.776 -65.649 1 108.222 ? 3 VAL E CG1 1 5 +ATOM 5879 C CG2 . VAL E 2 3 ? 45.056 -33.239 -68.112 1 113.124 ? 3 VAL E CG2 1 5 +ATOM 5880 N N . MET E 2 4 ? 45.529 -30.939 -64.016 1 95.992 ? 4 MET E N 1 5 +ATOM 5881 C CA . MET E 2 4 ? 46.004 -30.736 -62.653 1 97.78 ? 4 MET E CA 1 5 +ATOM 5882 C C . MET E 2 4 ? 45.522 -31.881 -61.752 1 109.494 ? 4 MET E C 1 5 +ATOM 5883 O O . MET E 2 4 ? 44.325 -32.173 -61.701 1 116.476 ? 4 MET E O 1 5 +ATOM 5884 C CB . MET E 2 4 ? 45.48 -29.405 -62.104 1 88.81 ? 4 MET E CB 1 5 +ATOM 5885 C CG . MET E 2 4 ? 45.631 -28.233 -63.056 1 86.527 ? 4 MET E CG 1 5 +ATOM 5886 S SD . MET E 2 4 ? 47.336 -27.972 -63.582 0.81 79.708 ? 4 MET E SD 1 5 +ATOM 5887 C CE . MET E 2 4 ? 48.098 -27.545 -62.012 1 88.053 ? 4 MET E CE 1 5 +ATOM 5888 N N . THR E 2 5 ? 46.456 -32.534 -61.039 1 108.832 ? 5 THR E N 1 5 +ATOM 5889 C CA . THR E 2 5 ? 46.126 -33.672 -60.19 1 104.041 ? 5 THR E CA 1 5 +ATOM 5890 C C . THR E 2 5 ? 46.612 -33.396 -58.773 1 101.547 ? 5 THR E C 1 5 +ATOM 5891 O O . THR E 2 5 ? 47.811 -33.272 -58.551 1 111.028 ? 5 THR E O 1 5 +ATOM 5892 C CB . THR E 2 5 ? 46.782 -34.952 -60.715 1 108.014 ? 5 THR E CB 1 5 +ATOM 5893 O OG1 . THR E 2 5 ? 46.451 -35.09 -62.092 1 107.776 ? 5 THR E OG1 1 5 +ATOM 5894 C CG2 . THR E 2 5 ? 46.322 -36.18 -59.949 1 103.096 ? 5 THR E CG2 1 5 +ATOM 5895 N N . GLN E 2 6 ? 45.696 -33.375 -57.804 1 94.661 ? 6 GLN E N 1 5 +ATOM 5896 C CA . GLN E 2 6 ? 46.085 -33.111 -56.424 1 97.994 ? 6 GLN E CA 1 5 +ATOM 5897 C C . GLN E 2 6 ? 46.211 -34.424 -55.674 1 92.76 ? 6 GLN E C 1 5 +ATOM 5898 O O . GLN E 2 6 ? 45.611 -35.402 -56.076 1 106.313 ? 6 GLN E O 1 5 +ATOM 5899 C CB . GLN E 2 6 ? 45.081 -32.219 -55.695 1 105.269 ? 6 GLN E CB 1 5 +ATOM 5900 C CG . GLN E 2 6 ? 45.151 -30.759 -56.112 1 101.802 ? 6 GLN E CG 1 5 +ATOM 5901 C CD . GLN E 2 6 ? 43.982 -29.97 -55.587 1 95.418 ? 6 GLN E CD 1 5 +ATOM 5902 O OE1 . GLN E 2 6 ? 43.247 -29.324 -56.334 1 82.71 ? 6 GLN E OE1 1 5 +ATOM 5903 N NE2 . GLN E 2 6 ? 43.839 -30 -54.273 1 103.594 ? 6 GLN E NE2 1 5 +ATOM 5904 N N . SER E 2 7 ? 46.971 -34.429 -54.573 1 99.781 ? 7 SER E N 1 5 +ATOM 5905 C CA . SER E 2 7 ? 47.016 -35.58 -53.673 1 101.363 ? 7 SER E CA 1 5 +ATOM 5906 C C . SER E 2 7 ? 47.399 -35.128 -52.264 1 94.828 ? 7 SER E C 1 5 +ATOM 5907 O O . SER E 2 7 ? 48.238 -34.247 -52.097 1 104.676 ? 7 SER E O 1 5 +ATOM 5908 C CB . SER E 2 7 ? 47.965 -36.64 -54.173 1 104.753 ? 7 SER E CB 1 5 +ATOM 5909 O OG . SER E 2 7 ? 49.309 -36.169 -54.138 1 118.331 ? 7 SER E OG 1 5 +ATOM 5910 N N . PRO E 2 8 ? 46.787 -35.664 -51.191 1 86.264 ? 8 PRO E N 1 5 +ATOM 5911 C CA . PRO E 2 8 ? 45.682 -36.623 -51.298 1 91.002 ? 8 PRO E CA 1 5 +ATOM 5912 C C . PRO E 2 8 ? 44.321 -36.044 -51.687 1 87.53 ? 8 PRO E C 1 5 +ATOM 5913 O O . PRO E 2 8 ? 44.182 -34.839 -51.795 1 90.242 ? 8 PRO E O 1 5 +ATOM 5914 C CB . PRO E 2 8 ? 45.682 -37.155 -49.847 1 97.67 ? 8 PRO E CB 1 5 +ATOM 5915 C CG . PRO E 2 8 ? 46.013 -35.948 -49.006 1 95.321 ? 8 PRO E CG 1 5 +ATOM 5916 C CD . PRO E 2 8 ? 47.145 -35.333 -49.802 1 88.476 ? 8 PRO E CD 1 5 +ATOM 5917 N N . ASP E 2 9 ? 43.32 -36.913 -51.876 1 96.948 ? 9 ASP E N 1 5 +ATOM 5918 C CA . ASP E 2 9 ? 41.936 -36.496 -52.081 1 98.693 ? 9 ASP E CA 1 5 +ATOM 5919 C C . ASP E 2 9 ? 41.363 -35.95 -50.772 1 97.725 ? 9 ASP E C 1 5 +ATOM 5920 O O . ASP E 2 9 ? 40.534 -35.049 -50.815 1 109.9 ? 9 ASP E O 1 5 +ATOM 5921 C CB . ASP E 2 9 ? 41.042 -37.596 -52.65 1 101.836 ? 9 ASP E CB 1 5 +ATOM 5922 C CG . ASP E 2 9 ? 41.261 -37.993 -54.107 1 105.359 ? 9 ASP E CG 1 5 +ATOM 5923 O OD1 . ASP E 2 9 ? 42.22 -37.493 -54.728 1 104.585 ? 9 ASP E OD1 1 5 +ATOM 5924 O OD2 . ASP E 2 9 ? 40.476 -38.816 -54.614 1 105.018 ? 9 ASP E OD2 1 5 +ATOM 5925 N N . SER E 2 10 ? 41.781 -36.509 -49.622 1 102.736 ? 10 SER E N 1 5 +ATOM 5926 C CA . SER E 2 10 ? 41.284 -36.122 -48.304 1 103.016 ? 10 SER E CA 1 5 +ATOM 5927 C C . SER E 2 10 ? 42.424 -36.192 -47.28 1 95.8 ? 10 SER E C 1 5 +ATOM 5928 O O . SER E 2 10 ? 43.281 -37.048 -47.387 1 97.141 ? 10 SER E O 1 5 +ATOM 5929 C CB . SER E 2 10 ? 40.086 -36.983 -47.868 1 96.48 ? 10 SER E CB 1 5 +ATOM 5930 O OG . SER E 2 10 ? 39.46 -36.452 -46.702 1 96.289 ? 10 SER E OG 1 5 +ATOM 5931 N N . LEU E 2 11 ? 42.401 -35.321 -46.262 1 89.848 ? 11 LEU E N 1 5 +ATOM 5932 C CA . LEU E 2 11 ? 43.513 -35.123 -45.343 1 81.537 ? 11 LEU E CA 1 5 +ATOM 5933 C C . LEU E 2 11 ? 42.978 -34.646 -43.984 1 78.146 ? 11 LEU E C 1 5 +ATOM 5934 O O . LEU E 2 11 ? 42.321 -33.626 -43.884 1 81.077 ? 11 LEU E O 1 5 +ATOM 5935 C CB . LEU E 2 11 ? 44.443 -34.096 -46.005 1 80.901 ? 11 LEU E CB 1 5 +ATOM 5936 C CG . LEU E 2 11 ? 45.675 -33.644 -45.214 1 85.055 ? 11 LEU E CG 1 5 +ATOM 5937 C CD1 . LEU E 2 11 ? 46.603 -34.794 -44.902 1 99.508 ? 11 LEU E CD1 1 5 +ATOM 5938 C CD2 . LEU E 2 11 ? 46.45 -32.608 -45.979 1 80.337 ? 11 LEU E CD2 1 5 +ATOM 5939 N N . ALA E 2 12 ? 43.254 -35.368 -42.899 1 83.57 ? 12 ALA E N 1 5 +ATOM 5940 C CA . ALA E 2 12 ? 42.805 -34.953 -41.573 1 85.32 ? 12 ALA E CA 1 5 +ATOM 5941 C C . ALA E 2 12 ? 44.037 -34.756 -40.701 1 91.861 ? 12 ALA E C 1 5 +ATOM 5942 O O . ALA E 2 12 ? 44.805 -35.688 -40.484 1 94.442 ? 12 ALA E O 1 5 +ATOM 5943 C CB . ALA E 2 12 ? 41.816 -35.943 -40.929 1 85.683 ? 12 ALA E CB 1 5 +ATOM 5944 N N . VAL E 2 13 ? 44.205 -33.538 -40.181 1 103.112 ? 13 VAL E N 1 5 +ATOM 5945 C CA . VAL E 2 13 ? 45.36 -33.217 -39.351 1 98.519 ? 13 VAL E CA 1 5 +ATOM 5946 C C . VAL E 2 13 ? 44.893 -32.531 -38.066 1 85.625 ? 13 VAL E C 1 5 +ATOM 5947 O O . VAL E 2 13 ? 43.899 -31.807 -38.08 1 86.634 ? 13 VAL E O 1 5 +ATOM 5948 C CB . VAL E 2 13 ? 46.304 -32.326 -40.186 1 112.29 ? 13 VAL E CB 1 5 +ATOM 5949 C CG1 . VAL E 2 13 ? 47.402 -31.69 -39.336 1 120.462 ? 13 VAL E CG1 1 5 +ATOM 5950 C CG2 . VAL E 2 13 ? 46.869 -33.08 -41.396 1 110.29 ? 13 VAL E CG2 1 5 +ATOM 5951 N N . SER E 2 14 ? 45.621 -32.761 -36.966 1 79.831 ? 14 SER E N 1 5 +ATOM 5952 C CA . SER E 2 14 ? 45.289 -32.206 -35.656 1 85.825 ? 14 SER E CA 1 5 +ATOM 5953 C C . SER E 2 14 ? 45.452 -30.681 -35.61 1 92.358 ? 14 SER E C 1 5 +ATOM 5954 O O . SER E 2 14 ? 46.219 -30.131 -36.404 1 96.828 ? 14 SER E O 1 5 +ATOM 5955 C CB . SER E 2 14 ? 46.149 -32.856 -34.593 1 84.755 ? 14 SER E CB 1 5 +ATOM 5956 O OG . SER E 2 14 ? 45.734 -34.188 -34.326 1 89.284 ? 14 SER E OG 1 5 +ATOM 5957 N N . LEU E 2 15 ? 44.77 -30.02 -34.644 1 94.627 ? 15 LEU E N 1 5 +ATOM 5958 C CA . LEU E 2 15 ? 44.875 -28.572 -34.419 1 93.879 ? 15 LEU E CA 1 5 +ATOM 5959 C C . LEU E 2 15 ? 46.324 -28.193 -34.182 1 89.486 ? 15 LEU E C 1 5 +ATOM 5960 O O . LEU E 2 15 ? 46.944 -28.741 -33.284 1 91.021 ? 15 LEU E O 1 5 +ATOM 5961 C CB . LEU E 2 15 ? 44.086 -28.004 -33.239 1 92.556 ? 15 LEU E CB 1 5 +ATOM 5962 C CG . LEU E 2 15 ? 42.635 -27.612 -33.526 1 107.655 ? 15 LEU E CG 1 5 +ATOM 5963 C CD1 . LEU E 2 15 ? 41.853 -27.227 -32.273 1 102.374 ? 15 LEU E CD1 1 5 +ATOM 5964 C CD2 . LEU E 2 15 ? 42.613 -26.486 -34.552 1 120.209 ? 15 LEU E CD2 1 5 +ATOM 5965 N N . GLY E 2 16 ? 46.82 -27.215 -34.947 1 90.272 ? 16 GLY E N 1 5 +ATOM 5966 C CA . GLY E 2 16 ? 48.149 -26.666 -34.732 1 95.522 ? 16 GLY E CA 1 5 +ATOM 5967 C C . GLY E 2 16 ? 49.235 -27.416 -35.497 1 98.319 ? 16 GLY E C 1 5 +ATOM 5968 O O . GLY E 2 16 ? 50.367 -26.954 -35.536 1 115.747 ? 16 GLY E O 1 5 +ATOM 5969 N N . GLU E 2 17 ? 48.9 -28.573 -36.089 1 100.223 ? 17 GLU E N 1 5 +ATOM 5970 C CA . GLU E 2 17 ? 49.891 -29.41 -36.755 1 93.427 ? 17 GLU E CA 1 5 +ATOM 5971 C C . GLU E 2 17 ? 49.948 -29.06 -38.251 1 91.62 ? 17 GLU E C 1 5 +ATOM 5972 O O . GLU E 2 17 ? 49.109 -28.313 -38.767 1 89.891 ? 17 GLU E O 1 5 +ATOM 5973 C CB . GLU E 2 17 ? 49.633 -30.883 -36.427 1 90.963 ? 17 GLU E CB 1 5 +ATOM 5974 C CG . GLU E 2 17 ? 49.969 -31.248 -34.979 1 107.362 ? 17 GLU E CG 1 5 +ATOM 5975 C CD . GLU E 2 17 ? 51.352 -30.856 -34.416 1 127.857 ? 17 GLU E CD 1 5 +ATOM 5976 O OE1 . GLU E 2 17 ? 51.524 -30.501 -33.22 1 119.568 ? 17 GLU E OE1 1 5 +ATOM 5977 O OE2 . GLU E 2 17 ? 52.314 -30.883 -35.208 1 159.994 ? 17 GLU E OE2 1 5 +ATOM 5978 N N . ARG E 2 18 ? 50.963 -29.601 -38.944 1 88.75 ? 18 ARG E N 1 5 +ATOM 5979 C CA . ARG E 2 18 ? 51.291 -29.209 -40.314 1 91.747 ? 18 ARG E CA 1 5 +ATOM 5980 C C . ARG E 2 18 ? 50.498 -30.03 -41.332 1 86.127 ? 18 ARG E C 1 5 +ATOM 5981 O O . ARG E 2 18 ? 50.51 -31.262 -41.246 1 86.101 ? 18 ARG E O 1 5 +ATOM 5982 C CB . ARG E 2 18 ? 52.786 -29.446 -40.579 1 109.64 ? 18 ARG E CB 1 5 +ATOM 5983 C CG . ARG E 2 18 ? 53.336 -29.068 -41.949 1 118.149 ? 18 ARG E CG 1 5 +ATOM 5984 C CD . ARG E 2 18 ? 54.523 -29.95 -42.375 1 123.548 ? 18 ARG E CD 1 5 +ATOM 5985 N NE . ARG E 2 18 ? 54.07 -31.275 -42.831 1 142.758 ? 18 ARG E NE 1 5 +ATOM 5986 C CZ . ARG E 2 18 ? 54.18 -32.453 -42.206 1 130.473 ? 18 ARG E CZ 1 5 +ATOM 5987 N NH1 . ARG E 2 18 ? 53.639 -33.527 -42.765 1 121.287 ? 18 ARG E NH1 1 5 +ATOM 5988 N NH2 . ARG E 2 18 ? 54.796 -32.555 -41.037 1 127.384 ? 18 ARG E NH2 1 5 +ATOM 5989 N N . ALA E 2 19 ? 49.861 -29.344 -42.303 1 82.588 ? 19 ALA E N 1 5 +ATOM 5990 C CA . ALA E 2 19 ? 49.133 -29.987 -43.405 1 86.53 ? 19 ALA E CA 1 5 +ATOM 5991 C C . ALA E 2 19 ? 49.815 -29.671 -44.738 1 87.2 ? 19 ALA E C 1 5 +ATOM 5992 O O . ALA E 2 19 ? 50.227 -28.543 -44.972 1 94.557 ? 19 ALA E O 1 5 +ATOM 5993 C CB . ALA E 2 19 ? 47.64 -29.593 -43.471 1 81.741 ? 19 ALA E CB 1 5 +ATOM 5994 N N . THR E 2 20 ? 49.873 -30.668 -45.634 1 86.628 ? 20 THR E N 1 5 +ATOM 5995 C CA . THR E 2 20 ? 50.601 -30.575 -46.894 1 84.3 ? 20 THR E CA 1 5 +ATOM 5996 C C . THR E 2 20 ? 49.735 -31.16 -48.009 1 86.326 ? 20 THR E C 1 5 +ATOM 5997 O O . THR E 2 20 ? 49.251 -32.285 -47.896 1 94.54 ? 20 THR E O 1 5 +ATOM 5998 C CB . THR E 2 20 ? 51.929 -31.322 -46.758 1 90.447 ? 20 THR E CB 1 5 +ATOM 5999 O OG1 . THR E 2 20 ? 52.727 -30.499 -45.91 1 94.8 ? 20 THR E OG1 1 5 +ATOM 6000 C CG2 . THR E 2 20 ? 52.63 -31.588 -48.081 1 92.737 ? 20 THR E CG2 1 5 +ATOM 6001 N N . ILE E 2 21 ? 49.54 -30.38 -49.079 1 87.759 ? 21 ILE E N 1 5 +ATOM 6002 C CA . ILE E 2 21 ? 48.734 -30.787 -50.222 1 95.552 ? 21 ILE E CA 1 5 +ATOM 6003 C C . ILE E 2 21 ? 49.607 -30.65 -51.465 1 100.093 ? 21 ILE E C 1 5 +ATOM 6004 O O . ILE E 2 21 ? 50.237 -29.611 -51.649 1 105.018 ? 21 ILE E O 1 5 +ATOM 6005 C CB . ILE E 2 21 ? 47.431 -29.964 -50.357 1 94.846 ? 21 ILE E CB 1 5 +ATOM 6006 C CG1 . ILE E 2 21 ? 46.582 -30.024 -49.077 1 92.516 ? 21 ILE E CG1 1 5 +ATOM 6007 C CG2 . ILE E 2 21 ? 46.625 -30.409 -51.586 1 92.473 ? 21 ILE E CG2 1 5 +ATOM 6008 C CD1 . ILE E 2 21 ? 45.472 -28.993 -48.989 1 91.584 ? 21 ILE E CD1 1 5 +ATOM 6009 N N . ASN E 2 22 ? 49.61 -31.683 -52.324 1 100.592 ? 22 ASN E N 1 5 +ATOM 6010 C CA . ASN E 2 22 ? 50.407 -31.67 -53.536 1 97.543 ? 22 ASN E CA 1 5 +ATOM 6011 C C . ASN E 2 22 ? 49.5 -31.41 -54.725 1 98.57 ? 22 ASN E C 1 5 +ATOM 6012 O O . ASN E 2 22 ? 48.332 -31.801 -54.697 1 84.916 ? 22 ASN E O 1 5 +ATOM 6013 C CB . ASN E 2 22 ? 51.212 -32.949 -53.703 1 100.403 ? 22 ASN E CB 1 5 +ATOM 6014 C CG . ASN E 2 22 ? 52.137 -33.146 -52.527 1 118.832 ? 22 ASN E CG 1 5 +ATOM 6015 O OD1 . ASN E 2 22 ? 53.027 -32.325 -52.277 1 119.858 ? 22 ASN E OD1 1 5 +ATOM 6016 N ND2 . ASN E 2 22 ? 51.913 -34.201 -51.76 1 137.583 ? 22 ASN E ND2 1 5 +ATOM 6017 N N . CYS E 2 23 ? 50.071 -30.737 -55.736 1 111.008 ? 23 CYS E N 1 5 +ATOM 6018 C CA . CYS E 2 23 ? 49.412 -30.506 -57.011 1 117.194 ? 23 CYS E CA 1 5 +ATOM 6019 C C . CYS E 2 23 ? 50.397 -30.743 -58.153 1 112.773 ? 23 CYS E C 1 5 +ATOM 6020 O O . CYS E 2 23 ? 51.423 -30.073 -58.206 1 98.579 ? 23 CYS E O 1 5 +ATOM 6021 C CB . CYS E 2 23 ? 48.831 -29.1 -57.087 1 112.151 ? 23 CYS E CB 1 5 +ATOM 6022 S SG . CYS E 2 23 ? 48.161 -28.688 -58.722 0.67 108.319 ? 23 CYS E SG 1 5 +ATOM 6023 N N . LYS E 2 24 ? 50.054 -31.694 -59.042 1 110.788 ? 24 LYS E N 1 5 +ATOM 6024 C CA . LYS E 2 24 ? 50.899 -32.066 -60.159 1 114.648 ? 24 LYS E CA 1 5 +ATOM 6025 C C . LYS E 2 24 ? 50.234 -31.629 -61.464 1 115.71 ? 24 LYS E C 1 5 +ATOM 6026 O O . LYS E 2 24 ? 49.115 -32.019 -61.767 1 102.451 ? 24 LYS E O 1 5 +ATOM 6027 C CB . LYS E 2 24 ? 51.185 -33.569 -60.11 1 127.43 ? 24 LYS E CB 1 5 +ATOM 6028 C CG . LYS E 2 24 ? 52.107 -34.051 -61.233 1 140.664 ? 24 LYS E CG 1 5 +ATOM 6029 C CD . LYS E 2 24 ? 52.435 -35.544 -61.24 1 135.519 ? 24 LYS E CD 1 5 +ATOM 6030 C CE . LYS E 2 24 ? 51.25 -36.432 -61.5 1 131.337 ? 24 LYS E CE 1 5 +ATOM 6031 N NZ . LYS E 2 24 ? 51.654 -37.799 -61.839 1 133.807 ? 24 LYS E NZ 1 5 +ATOM 6032 N N . SER E 2 25 ? 50.96 -30.816 -62.234 1 123.033 ? 25 SER E N 1 5 +ATOM 6033 C CA . SER E 2 25 ? 50.536 -30.333 -63.536 1 122.906 ? 25 SER E CA 1 5 +ATOM 6034 C C . SER E 2 25 ? 51.075 -31.264 -64.617 1 121.759 ? 25 SER E C 1 5 +ATOM 6035 O O . SER E 2 25 ? 52.222 -31.675 -64.534 1 129.768 ? 25 SER E O 1 5 +ATOM 6036 C CB . SER E 2 25 ? 51.053 -28.932 -63.748 1 127.104 ? 25 SER E CB 1 5 +ATOM 6037 O OG . SER E 2 25 ? 50.801 -28.479 -65.074 1 137.041 ? 25 SER E OG 1 5 +ATOM 6038 N N . SER E 2 26 ? 50.277 -31.563 -65.648 1 115.674 ? 26 SER E N 1 5 +ATOM 6039 C CA . SER E 2 26 ? 50.713 -32.455 -66.716 1 116.075 ? 26 SER E CA 1 5 +ATOM 6040 C C . SER E 2 26 ? 51.756 -31.816 -67.642 1 110.635 ? 26 SER E C 1 5 +ATOM 6041 O O . SER E 2 26 ? 52.392 -32.511 -68.421 1 105.68 ? 26 SER E O 1 5 +ATOM 6042 C CB . SER E 2 26 ? 49.539 -32.949 -67.51 1 116.816 ? 26 SER E CB 1 5 +ATOM 6043 O OG . SER E 2 26 ? 48.95 -31.903 -68.265 1 115.487 ? 26 SER E OG 1 5 +ATOM 6044 N N . GLN E 2 27 ? 51.887 -30.491 -67.601 1 115.555 ? 27 GLN E N 1 5 +ATOM 6045 C CA . GLN E 2 27 ? 52.861 -29.761 -68.397 1 124.414 ? 27 GLN E CA 1 5 +ATOM 6046 C C . GLN E 2 27 ? 53.495 -28.683 -67.521 1 126.708 ? 27 GLN E C 1 5 +ATOM 6047 O O . GLN E 2 27 ? 52.872 -28.228 -66.56 1 143.78 ? 27 GLN E O 1 5 +ATOM 6048 C CB . GLN E 2 27 ? 52.193 -29.088 -69.594 1 131.532 ? 27 GLN E CB 1 5 +ATOM 6049 C CG . GLN E 2 27 ? 51.452 -30.039 -70.52 1 139.646 ? 27 GLN E CG 1 5 +ATOM 6050 C CD . GLN E 2 27 ? 50.874 -29.339 -71.731 1 162.665 ? 27 GLN E CD 1 5 +ATOM 6051 O OE1 . GLN E 2 27 ? 51.186 -28.175 -72.039 1 157.713 ? 27 GLN E OE1 1 5 +ATOM 6052 N NE2 . GLN E 2 27 ? 50.029 -30.066 -72.449 1 178.065 ? 27 GLN E NE2 1 5 +ATOM 6053 N N . SER E 2 28 A 54.726 -28.278 -67.862 1 117.544 ? 27 SER E N 1 5 +ATOM 6054 C CA . SER E 2 28 A 55.472 -27.338 -67.039 1 117.05 ? 27 SER E CA 1 5 +ATOM 6055 C C . SER E 2 28 A 54.853 -25.94 -67.117 1 112.649 ? 27 SER E C 1 5 +ATOM 6056 O O . SER E 2 28 A 54.919 -25.282 -68.153 1 127.316 ? 27 SER E O 1 5 +ATOM 6057 C CB . SER E 2 28 A 56.928 -27.322 -67.426 1 121.91 ? 27 SER E CB 1 5 +ATOM 6058 O OG . SER E 2 28 A 57.658 -26.425 -66.598 1 122.621 ? 27 SER E OG 1 5 +ATOM 6059 N N . VAL E 2 29 B 54.287 -25.465 -66 1 115.766 ? 27 VAL E N 1 5 +ATOM 6060 C CA . VAL E 2 29 B 53.67 -24.143 -65.94 1 112.889 ? 27 VAL E CA 1 5 +ATOM 6061 C C . VAL E 2 29 B 54.704 -23.118 -65.471 1 106.279 ? 27 VAL E C 1 5 +ATOM 6062 O O . VAL E 2 29 B 54.321 -22.092 -64.918 1 96.361 ? 27 VAL E O 1 5 +ATOM 6063 C CB . VAL E 2 29 B 52.396 -24.066 -65.067 1 106.802 ? 27 VAL E CB 1 5 +ATOM 6064 C CG1 . VAL E 2 29 B 51.195 -24.736 -65.738 1 111.55 ? 27 VAL E CG1 1 5 +ATOM 6065 C CG2 . VAL E 2 29 B 52.619 -24.631 -63.67 1 106.174 ? 27 VAL E CG2 1 5 +ATOM 6066 N N . LEU E 2 30 C 55.991 -23.392 -65.741 1 103.03 ? 27 LEU E N 1 5 +ATOM 6067 C CA . LEU E 2 30 C 57.069 -22.446 -65.506 1 108.137 ? 27 LEU E CA 1 5 +ATOM 6068 C C . LEU E 2 30 C 57.261 -21.616 -66.768 1 111.572 ? 27 LEU E C 1 5 +ATOM 6069 O O . LEU E 2 30 C 57.69 -22.155 -67.778 1 123.734 ? 27 LEU E O 1 5 +ATOM 6070 C CB . LEU E 2 30 C 58.337 -23.233 -65.169 1 113.644 ? 27 LEU E CB 1 5 +ATOM 6071 C CG . LEU E 2 30 C 59.657 -22.45 -65.097 1 113.973 ? 27 LEU E CG 1 5 +ATOM 6072 C CD1 . LEU E 2 30 C 59.587 -21.277 -64.135 1 109.016 ? 27 LEU E CD1 1 5 +ATOM 6073 C CD2 . LEU E 2 30 C 60.788 -23.403 -64.696 1 115.256 ? 27 LEU E CD2 1 5 +ATOM 6074 N N . TYR E 2 31 D 56.946 -20.317 -66.714 1 109.383 ? 27 TYR E N 1 5 +ATOM 6075 C CA . TYR E 2 31 D 57.12 -19.443 -67.866 1 104.725 ? 27 TYR E CA 1 5 +ATOM 6076 C C . TYR E 2 31 D 58.565 -18.957 -67.894 1 107.07 ? 27 TYR E C 1 5 +ATOM 6077 O O . TYR E 2 31 D 59.015 -18.284 -66.963 1 113.29 ? 27 TYR E O 1 5 +ATOM 6078 C CB . TYR E 2 31 D 56.129 -18.283 -67.759 1 107.055 ? 27 TYR E CB 1 5 +ATOM 6079 C CG . TYR E 2 31 D 55.948 -17.437 -69.011 1 105.907 ? 27 TYR E CG 1 5 +ATOM 6080 C CD1 . TYR E 2 31 D 55.913 -18.004 -70.277 1 107.491 ? 27 TYR E CD1 1 5 +ATOM 6081 C CD2 . TYR E 2 31 D 55.793 -16.058 -68.915 1 100.43 ? 27 TYR E CD2 1 5 +ATOM 6082 C CE1 . TYR E 2 31 D 55.739 -17.219 -71.407 1 112.697 ? 27 TYR E CE1 1 5 +ATOM 6083 C CE2 . TYR E 2 31 D 55.636 -15.265 -70.035 1 103.66 ? 27 TYR E CE2 1 5 +ATOM 6084 C CZ . TYR E 2 31 D 55.605 -15.844 -71.288 1 110.019 ? 27 TYR E CZ 1 5 +ATOM 6085 O OH . TYR E 2 31 D 55.463 -15.016 -72.371 1 115.089 ? 27 TYR E OH 1 5 +ATOM 6086 N N . SER E 2 32 E 59.304 -19.308 -68.949 1 108.738 ? 27 SER E N 1 5 +ATOM 6087 C CA . SER E 2 32 E 60.754 -19.143 -68.902 1 115.087 ? 27 SER E CA 1 5 +ATOM 6088 C C . SER E 2 32 E 61.114 -17.661 -68.976 1 112.372 ? 27 SER E C 1 5 +ATOM 6089 O O . SER E 2 32 E 62.104 -17.232 -68.39 1 124.315 ? 27 SER E O 1 5 +ATOM 6090 C CB . SER E 2 32 E 61.443 -19.918 -69.979 1 116.186 ? 27 SER E CB 1 5 +ATOM 6091 O OG . SER E 2 32 E 60.889 -19.527 -71.219 1 120.136 ? 27 SER E OG 1 5 +ATOM 6092 N N . SER E 2 33 F 60.275 -16.891 -69.672 1 110.138 ? 27 SER E N 1 5 +ATOM 6093 C CA . SER E 2 33 F 60.406 -15.443 -69.803 1 111.227 ? 27 SER E CA 1 5 +ATOM 6094 C C . SER E 2 33 F 60.664 -14.705 -68.477 1 111.171 ? 27 SER E C 1 5 +ATOM 6095 O O . SER E 2 33 F 61.571 -13.878 -68.409 1 117.132 ? 27 SER E O 1 5 +ATOM 6096 C CB . SER E 2 33 F 59.195 -14.898 -70.505 1 108.063 ? 27 SER E CB 1 5 +ATOM 6097 O OG . SER E 2 33 F 59.318 -13.496 -70.673 1 115.05 ? 27 SER E OG 1 5 +ATOM 6098 N N . ASN E 2 34 ? 59.862 -14.951 -67.428 1 106.991 ? 28 ASN E N 1 5 +ATOM 6099 C CA . ASN E 2 34 ? 60.004 -14.243 -66.158 1 104.145 ? 28 ASN E CA 1 5 +ATOM 6100 C C . ASN E 2 34 ? 60.284 -15.195 -64.994 1 110.251 ? 28 ASN E C 1 5 +ATOM 6101 O O . ASN E 2 34 ? 60.297 -14.761 -63.84 1 117.281 ? 28 ASN E O 1 5 +ATOM 6102 C CB . ASN E 2 34 ? 58.776 -13.401 -65.834 1 106.19 ? 28 ASN E CB 1 5 +ATOM 6103 C CG . ASN E 2 34 ? 57.475 -14.177 -65.904 1 110.669 ? 28 ASN E CG 1 5 +ATOM 6104 O OD1 . ASN E 2 34 ? 57.475 -15.405 -66.031 1 116.796 ? 28 ASN E OD1 1 5 +ATOM 6105 N ND2 . ASN E 2 34 ? 56.346 -13.484 -65.837 1 106.758 ? 28 ASN E ND2 1 5 +ATOM 6106 N N . ASN E 2 35 ? 60.52 -16.479 -65.295 1 110.103 ? 29 ASN E N 1 5 +ATOM 6107 C CA . ASN E 2 35 ? 60.872 -17.493 -64.308 1 110.02 ? 29 ASN E CA 1 5 +ATOM 6108 C C . ASN E 2 35 ? 59.766 -17.735 -63.289 1 101.021 ? 29 ASN E C 1 5 +ATOM 6109 O O . ASN E 2 35 ? 60.03 -18.482 -62.362 1 96.098 ? 29 ASN E O 1 5 +ATOM 6110 C CB . ASN E 2 35 ? 62.156 -17.183 -63.542 1 110.515 ? 29 ASN E CB 1 5 +ATOM 6111 C CG . ASN E 2 35 ? 63.347 -17.879 -64.142 1 117.57 ? 29 ASN E CG 1 5 +ATOM 6112 O OD1 . ASN E 2 35 ? 63.945 -17.381 -65.106 1 117.167 ? 29 ASN E OD1 1 5 +ATOM 6113 N ND2 . ASN E 2 35 ? 63.711 -19.015 -63.564 1 121.277 ? 29 ASN E ND2 1 5 +ATOM 6114 N N . LYS E 2 36 ? 58.557 -17.188 -63.505 1 97.515 ? 30 LYS E N 1 5 +ATOM 6115 C CA . LYS E 2 36 ? 57.429 -17.355 -62.601 1 98.358 ? 30 LYS E CA 1 5 +ATOM 6116 C C . LYS E 2 36 ? 56.596 -18.579 -62.988 1 96.109 ? 30 LYS E C 1 5 +ATOM 6117 O O . LYS E 2 36 ? 56.31 -18.797 -64.169 1 97.979 ? 30 LYS E O 1 5 +ATOM 6118 C CB . LYS E 2 36 ? 56.527 -16.117 -62.661 1 105.257 ? 30 LYS E CB 1 5 +ATOM 6119 C CG . LYS E 2 36 ? 57 -14.85 -61.953 1 114.423 ? 30 LYS E CG 1 5 +ATOM 6120 C CD . LYS E 2 36 ? 55.956 -13.738 -62.069 1 120.789 ? 30 LYS E CD 1 5 +ATOM 6121 C CE . LYS E 2 36 ? 56.282 -12.396 -61.473 1 123.486 ? 30 LYS E CE 1 5 +ATOM 6122 N NZ . LYS E 2 36 ? 56.51 -12.483 -60.031 1 127.822 ? 30 LYS E NZ 1 5 +ATOM 6123 N N . ASN E 2 37 ? 56.179 -19.361 -61.983 1 95.277 ? 31 ASN E N 1 5 +ATOM 6124 C CA . ASN E 2 37 ? 55.294 -20.497 -62.222 1 101.735 ? 31 ASN E CA 1 5 +ATOM 6125 C C . ASN E 2 37 ? 53.836 -20.073 -62.063 1 96.221 ? 31 ASN E C 1 5 +ATOM 6126 O O . ASN E 2 37 ? 53.464 -19.596 -61.002 1 89.985 ? 31 ASN E O 1 5 +ATOM 6127 C CB . ASN E 2 37 ? 55.542 -21.64 -61.248 1 103.435 ? 31 ASN E CB 1 5 +ATOM 6128 C CG . ASN E 2 37 ? 56.98 -22.073 -61.249 1 105.493 ? 31 ASN E CG 1 5 +ATOM 6129 O OD1 . ASN E 2 37 ? 57.348 -22.994 -61.982 1 105.648 ? 31 ASN E OD1 1 5 +ATOM 6130 N ND2 . ASN E 2 37 ? 57.777 -21.464 -60.381 1 110.992 ? 31 ASN E ND2 1 5 +ATOM 6131 N N . TYR E 2 38 ? 53.009 -20.28 -63.097 1 95.283 ? 32 TYR E N 1 5 +ATOM 6132 C CA . TYR E 2 38 ? 51.631 -19.796 -63.073 1 96.718 ? 32 TYR E CA 1 5 +ATOM 6133 C C . TYR E 2 38 ? 50.702 -20.835 -62.445 1 94.24 ? 32 TYR E C 1 5 +ATOM 6134 O O . TYR E 2 38 ? 49.932 -21.506 -63.13 1 88.925 ? 32 TYR E O 1 5 +ATOM 6135 C CB . TYR E 2 38 ? 51.184 -19.322 -64.463 1 102.464 ? 32 TYR E CB 1 5 +ATOM 6136 C CG . TYR E 2 38 ? 51.838 -17.988 -64.81 1 106.539 ? 32 TYR E CG 1 5 +ATOM 6137 C CD1 . TYR E 2 38 ? 53.11 -17.941 -65.368 1 96.468 ? 32 TYR E CD1 1 5 +ATOM 6138 C CD2 . TYR E 2 38 ? 51.231 -16.774 -64.478 1 109.409 ? 32 TYR E CD2 1 5 +ATOM 6139 C CE1 . TYR E 2 38 ? 53.731 -16.734 -65.631 1 99.328 ? 32 TYR E CE1 1 5 +ATOM 6140 C CE2 . TYR E 2 38 ? 51.848 -15.56 -64.736 1 104.813 ? 32 TYR E CE2 1 5 +ATOM 6141 C CZ . TYR E 2 38 ? 53.097 -15.54 -65.325 1 99.925 ? 32 TYR E CZ 1 5 +ATOM 6142 O OH . TYR E 2 38 ? 53.695 -14.342 -65.59 1 95.057 ? 32 TYR E OH 1 5 +ATOM 6143 N N . LEU E 2 39 ? 50.719 -20.885 -61.109 1 94.894 ? 33 LEU E N 1 5 +ATOM 6144 C CA . LEU E 2 39 ? 49.879 -21.796 -60.357 1 86.204 ? 33 LEU E CA 1 5 +ATOM 6145 C C . LEU E 2 39 ? 49.252 -21.084 -59.166 1 81.819 ? 33 LEU E C 1 5 +ATOM 6146 O O . LEU E 2 39 ? 49.954 -20.428 -58.405 1 81.652 ? 33 LEU E O 1 5 +ATOM 6147 C CB . LEU E 2 39 ? 50.729 -22.943 -59.853 1 85.413 ? 33 LEU E CB 1 5 +ATOM 6148 C CG . LEU E 2 39 ? 49.891 -24.058 -59.239 1 96.134 ? 33 LEU E CG 1 5 +ATOM 6149 C CD1 . LEU E 2 39 ? 49.93 -25.268 -60.121 1 102.499 ? 33 LEU E CD1 1 5 +ATOM 6150 C CD2 . LEU E 2 39 ? 50.346 -24.354 -57.843 1 106.055 ? 33 LEU E CD2 1 5 +ATOM 6151 N N . ALA E 2 40 ? 47.941 -21.287 -58.986 1 83.308 ? 34 ALA E N 1 5 +ATOM 6152 C CA . ALA E 2 40 ? 47.182 -20.637 -57.925 1 84.637 ? 34 ALA E CA 1 5 +ATOM 6153 C C . ALA E 2 40 ? 46.607 -21.681 -56.971 1 82.368 ? 34 ALA E C 1 5 +ATOM 6154 O O . ALA E 2 40 ? 46.406 -22.832 -57.337 1 87.693 ? 34 ALA E O 1 5 +ATOM 6155 C CB . ALA E 2 40 ? 46.081 -19.758 -58.496 1 77.371 ? 34 ALA E CB 1 5 +ATOM 6156 N N . TRP E 2 41 ? 46.344 -21.252 -55.737 1 78.473 ? 35 TRP E N 1 5 +ATOM 6157 C CA . TRP E 2 41 ? 45.697 -22.087 -54.75 1 75.096 ? 35 TRP E CA 1 5 +ATOM 6158 C C . TRP E 2 41 ? 44.461 -21.366 -54.217 1 70.46 ? 35 TRP E C 1 5 +ATOM 6159 O O . TRP E 2 41 ? 44.55 -20.219 -53.836 1 70.947 ? 35 TRP E O 1 5 +ATOM 6160 C CB . TRP E 2 41 ? 46.687 -22.388 -53.621 1 79.198 ? 35 TRP E CB 1 5 +ATOM 6161 C CG . TRP E 2 41 ? 47.702 -23.467 -53.904 1 84.368 ? 35 TRP E CG 1 5 +ATOM 6162 C CD1 . TRP E 2 41 ? 49.022 -23.309 -54.217 1 91.516 ? 35 TRP E CD1 1 5 +ATOM 6163 C CD2 . TRP E 2 41 ? 47.484 -24.891 -53.853 1 86.187 ? 35 TRP E CD2 1 5 +ATOM 6164 N NE1 . TRP E 2 41 ? 49.648 -24.525 -54.366 1 83.705 ? 35 TRP E NE1 1 5 +ATOM 6165 C CE2 . TRP E 2 41 ? 48.723 -25.51 -54.168 1 84.968 ? 35 TRP E CE2 1 5 +ATOM 6166 C CE3 . TRP E 2 41 ? 46.364 -25.686 -53.588 1 84.985 ? 35 TRP E CE3 1 5 +ATOM 6167 C CZ2 . TRP E 2 41 ? 48.866 -26.888 -54.231 1 86.499 ? 35 TRP E CZ2 1 5 +ATOM 6168 C CZ3 . TRP E 2 41 ? 46.508 -27.052 -53.654 1 91.069 ? 35 TRP E CZ3 1 5 +ATOM 6169 C CH2 . TRP E 2 41 ? 47.742 -27.638 -53.972 1 94.776 ? 35 TRP E CH2 1 5 +ATOM 6170 N N . TYR E 2 42 ? 43.325 -22.057 -54.12 1 71.09 ? 36 TYR E N 1 5 +ATOM 6171 C CA . TYR E 2 42 ? 42.119 -21.501 -53.525 1 69.944 ? 36 TYR E CA 1 5 +ATOM 6172 C C . TYR E 2 42 ? 41.654 -22.317 -52.316 1 66.904 ? 36 TYR E C 1 5 +ATOM 6173 O O . TYR E 2 42 ? 41.922 -23.505 -52.222 1 64.775 ? 36 TYR E O 1 5 +ATOM 6174 C CB . TYR E 2 42 ? 41.004 -21.494 -54.569 1 71.706 ? 36 TYR E CB 1 5 +ATOM 6175 C CG . TYR E 2 42 ? 41.358 -20.71 -55.808 1 66.739 ? 36 TYR E CG 1 5 +ATOM 6176 C CD1 . TYR E 2 42 ? 42.036 -21.301 -56.856 1 72.495 ? 36 TYR E CD1 1 5 +ATOM 6177 C CD2 . TYR E 2 42 ? 40.974 -19.391 -55.926 1 71.055 ? 36 TYR E CD2 1 5 +ATOM 6178 C CE1 . TYR E 2 42 ? 42.358 -20.58 -57.991 1 86.728 ? 36 TYR E CE1 1 5 +ATOM 6179 C CE2 . TYR E 2 42 ? 41.287 -18.654 -57.054 1 80.743 ? 36 TYR E CE2 1 5 +ATOM 6180 C CZ . TYR E 2 42 ? 41.976 -19.253 -58.099 1 86.252 ? 36 TYR E CZ 1 5 +ATOM 6181 O OH . TYR E 2 42 ? 42.297 -18.544 -59.226 1 84.62 ? 36 TYR E OH 1 5 +ATOM 6182 N N . GLN E 2 43 ? 40.936 -21.648 -51.405 1 70.958 ? 37 GLN E N 1 5 +ATOM 6183 C CA . GLN E 2 43 ? 40.311 -22.257 -50.244 1 74.837 ? 37 GLN E CA 1 5 +ATOM 6184 C C . GLN E 2 43 ? 38.81 -22.126 -50.438 1 78.315 ? 37 GLN E C 1 5 +ATOM 6185 O O . GLN E 2 43 ? 38.324 -21.036 -50.67 1 85.5 ? 37 GLN E O 1 5 +ATOM 6186 C CB . GLN E 2 43 ? 40.731 -21.5 -48.981 1 77.853 ? 37 GLN E CB 1 5 +ATOM 6187 C CG . GLN E 2 43 ? 40.123 -22.012 -47.677 1 80.02 ? 37 GLN E CG 1 5 +ATOM 6188 C CD . GLN E 2 43 ? 40.252 -21.005 -46.551 1 79.339 ? 37 GLN E CD 1 5 +ATOM 6189 O OE1 . GLN E 2 43 ? 39.771 -19.875 -46.674 1 84.853 ? 37 GLN E OE1 1 5 +ATOM 6190 N NE2 . GLN E 2 43 ? 40.908 -21.38 -45.454 1 79.273 ? 37 GLN E NE2 1 5 +ATOM 6191 N N . GLN E 2 44 ? 38.058 -23.218 -50.318 1 83.555 ? 38 GLN E N 1 5 +ATOM 6192 C CA . GLN E 2 44 ? 36.613 -23.099 -50.411 1 81.054 ? 38 GLN E CA 1 5 +ATOM 6193 C C . GLN E 2 44 ? 35.911 -23.757 -49.223 1 72.968 ? 38 GLN E C 1 5 +ATOM 6194 O O . GLN E 2 44 ? 35.832 -24.974 -49.124 1 84.309 ? 38 GLN E O 1 5 +ATOM 6195 C CB . GLN E 2 44 ? 36.12 -23.711 -51.716 1 84.212 ? 38 GLN E CB 1 5 +ATOM 6196 C CG . GLN E 2 44 ? 34.644 -23.419 -51.959 1 83.959 ? 38 GLN E CG 1 5 +ATOM 6197 C CD . GLN E 2 44 ? 34.043 -24.289 -53.033 1 81.383 ? 38 GLN E CD 1 5 +ATOM 6198 O OE1 . GLN E 2 44 ? 34.312 -25.497 -53.106 1 91.241 ? 38 GLN E OE1 1 5 +ATOM 6199 N NE2 . GLN E 2 44 ? 33.245 -23.65 -53.877 1 77.998 ? 38 GLN E NE2 1 5 +ATOM 6200 N N . LYS E 2 45 ? 35.331 -22.944 -48.352 1 78.483 ? 39 LYS E N 1 5 +ATOM 6201 C CA . LYS E 2 45 ? 34.539 -23.454 -47.241 1 87.68 ? 39 LYS E CA 1 5 +ATOM 6202 C C . LYS E 2 45 ? 33.143 -23.822 -47.75 1 88.662 ? 39 LYS E C 1 5 +ATOM 6203 O O . LYS E 2 45 ? 32.716 -23.339 -48.792 1 85.804 ? 39 LYS E O 1 5 +ATOM 6204 C CB . LYS E 2 45 ? 34.498 -22.396 -46.13 1 97.493 ? 39 LYS E CB 1 5 +ATOM 6205 C CG . LYS E 2 45 ? 35.785 -22.213 -45.326 1 100.364 ? 39 LYS E CG 1 5 +ATOM 6206 C CD . LYS E 2 45 ? 35.699 -20.964 -44.448 1 108.374 ? 39 LYS E CD 1 5 +ATOM 6207 C CE . LYS E 2 45 ? 36.743 -20.86 -43.387 1 111.334 ? 39 LYS E CE 1 5 +ATOM 6208 N NZ . LYS E 2 45 ? 36.619 -21.929 -42.39 1 118.95 ? 39 LYS E NZ 1 5 +ATOM 6209 N N . PRO E 2 46 ? 32.377 -24.689 -47.049 1 96.532 ? 40 PRO E N 1 5 +ATOM 6210 C CA . PRO E 2 46 ? 31.047 -25.081 -47.521 1 98.416 ? 40 PRO E CA 1 5 +ATOM 6211 C C . PRO E 2 46 ? 30.071 -23.926 -47.724 1 106.507 ? 40 PRO E C 1 5 +ATOM 6212 O O . PRO E 2 46 ? 29.916 -23.057 -46.858 1 108.378 ? 40 PRO E O 1 5 +ATOM 6213 C CB . PRO E 2 46 ? 30.545 -26.041 -46.446 1 102.447 ? 40 PRO E CB 1 5 +ATOM 6214 C CG . PRO E 2 46 ? 31.388 -25.71 -45.218 1 104.807 ? 40 PRO E CG 1 5 +ATOM 6215 C CD . PRO E 2 46 ? 32.748 -25.35 -45.786 1 99.147 ? 40 PRO E CD 1 5 +ATOM 6216 N N . GLY E 2 47 ? 29.424 -23.947 -48.896 1 111.157 ? 41 GLY E N 1 5 +ATOM 6217 C CA . GLY E 2 47 ? 28.363 -23.014 -49.232 1 110.64 ? 41 GLY E CA 1 5 +ATOM 6218 C C . GLY E 2 47 ? 28.884 -21.62 -49.564 1 94.474 ? 41 GLY E C 1 5 +ATOM 6219 O O . GLY E 2 47 ? 28.102 -20.702 -49.731 1 97.664 ? 41 GLY E O 1 5 +ATOM 6220 N N . GLN E 2 48 ? 30.198 -21.477 -49.686 1 92.803 ? 42 GLN E N 1 5 +ATOM 6221 C CA . GLN E 2 48 ? 30.8 -20.189 -49.952 1 90.86 ? 42 GLN E CA 1 5 +ATOM 6222 C C . GLN E 2 48 ? 31.68 -20.261 -51.197 1 90.739 ? 42 GLN E C 1 5 +ATOM 6223 O O . GLN E 2 48 ? 32.389 -21.252 -51.427 1 102.783 ? 42 GLN E O 1 5 +ATOM 6224 C CB . GLN E 2 48 ? 31.652 -19.799 -48.753 1 105.105 ? 42 GLN E CB 1 5 +ATOM 6225 C CG . GLN E 2 48 ? 30.86 -19.504 -47.489 1 108.423 ? 42 GLN E CG 1 5 +ATOM 6226 C CD . GLN E 2 48 ? 31.793 -19.195 -46.336 1 130.327 ? 42 GLN E CD 1 5 +ATOM 6227 O OE1 . GLN E 2 48 ? 32.903 -18.671 -46.513 1 116.795 ? 42 GLN E OE1 1 5 +ATOM 6228 N NE2 . GLN E 2 48 ? 31.372 -19.571 -45.139 1 160.504 ? 42 GLN E NE2 1 5 +ATOM 6229 N N . PRO E 2 49 ? 31.695 -19.179 -52.013 1 82.128 ? 43 PRO E N 1 5 +ATOM 6230 C CA . PRO E 2 49 ? 32.57 -19.094 -53.188 1 72.231 ? 43 PRO E CA 1 5 +ATOM 6231 C C . PRO E 2 49 ? 34.039 -19.21 -52.82 1 63.67 ? 43 PRO E C 1 5 +ATOM 6232 O O . PRO E 2 49 ? 34.446 -18.848 -51.725 1 71.634 ? 43 PRO E O 1 5 +ATOM 6233 C CB . PRO E 2 49 ? 32.242 -17.718 -53.754 1 75.316 ? 43 PRO E CB 1 5 +ATOM 6234 C CG . PRO E 2 49 ? 31.744 -16.935 -52.56 1 77.285 ? 43 PRO E CG 1 5 +ATOM 6235 C CD . PRO E 2 49 ? 30.916 -17.949 -51.805 1 79.155 ? 43 PRO E CD 1 5 +ATOM 6236 N N . PRO E 2 50 ? 34.896 -19.715 -53.715 1 63.667 ? 44 PRO E N 1 5 +ATOM 6237 C CA . PRO E 2 50 ? 36.316 -19.884 -53.378 1 68.897 ? 44 PRO E CA 1 5 +ATOM 6238 C C . PRO E 2 50 ? 37.03 -18.59 -52.971 1 65.696 ? 44 PRO E C 1 5 +ATOM 6239 O O . PRO E 2 50 ? 36.546 -17.493 -53.186 1 71.358 ? 44 PRO E O 1 5 +ATOM 6240 C CB . PRO E 2 50 ? 36.939 -20.522 -54.638 1 68.355 ? 44 PRO E CB 1 5 +ATOM 6241 C CG . PRO E 2 50 ? 35.751 -21.053 -55.426 1 68.862 ? 44 PRO E CG 1 5 +ATOM 6242 C CD . PRO E 2 50 ? 34.544 -20.171 -55.064 1 65.384 ? 44 PRO E CD 1 5 +ATOM 6243 N N . LYS E 2 51 ? 38.188 -18.738 -52.347 1 66.726 ? 45 LYS E N 1 5 +ATOM 6244 C CA . LYS E 2 51 ? 38.991 -17.617 -51.904 1 72.266 ? 45 LYS E CA 1 5 +ATOM 6245 C C . LYS E 2 51 ? 40.422 -17.862 -52.364 1 74.899 ? 45 LYS E C 1 5 +ATOM 6246 O O . LYS E 2 51 ? 41.029 -18.843 -51.948 1 77.555 ? 45 LYS E O 1 5 +ATOM 6247 C CB . LYS E 2 51 ? 38.977 -17.523 -50.371 1 77.405 ? 45 LYS E CB 1 5 +ATOM 6248 C CG . LYS E 2 51 ? 39.923 -16.507 -49.771 1 86.506 ? 45 LYS E CG 1 5 +ATOM 6249 C CD . LYS E 2 51 ? 40.091 -16.604 -48.264 1 97.769 ? 45 LYS E CD 1 5 +ATOM 6250 C CE . LYS E 2 51 ? 41.167 -15.629 -47.885 1 117.897 ? 45 LYS E CE 1 5 +ATOM 6251 N NZ . LYS E 2 51 ? 41.399 -15.519 -46.448 1 120.868 ? 45 LYS E NZ 1 5 +ATOM 6252 N N . LEU E 2 52 ? 40.985 -16.949 -53.161 1 74.011 ? 46 LEU E N 1 5 +ATOM 6253 C CA . LEU E 2 52 ? 42.385 -17.053 -53.536 1 72.938 ? 46 LEU E CA 1 5 +ATOM 6254 C C . LEU E 2 52 ? 43.319 -16.905 -52.327 1 70.039 ? 46 LEU E C 1 5 +ATOM 6255 O O . LEU E 2 52 ? 43.197 -15.971 -51.547 1 63.396 ? 46 LEU E O 1 5 +ATOM 6256 C CB . LEU E 2 52 ? 42.731 -16.016 -54.59 1 74.626 ? 46 LEU E CB 1 5 +ATOM 6257 C CG . LEU E 2 52 ? 44.189 -16.064 -55.053 1 81.211 ? 46 LEU E CG 1 5 +ATOM 6258 C CD1 . LEU E 2 52 ? 44.419 -17.306 -55.888 1 74.407 ? 46 LEU E CD1 1 5 +ATOM 6259 C CD2 . LEU E 2 52 ? 44.572 -14.79 -55.8 1 102.626 ? 46 LEU E CD2 1 5 +ATOM 6260 N N . LEU E 2 53 ? 44.28 -17.833 -52.218 1 78.223 ? 47 LEU E N 1 5 +ATOM 6261 C CA . LEU E 2 53 ? 45.299 -17.851 -51.181 1 79.916 ? 47 LEU E CA 1 5 +ATOM 6262 C C . LEU E 2 53 ? 46.667 -17.49 -51.758 1 79.176 ? 47 LEU E C 1 5 +ATOM 6263 O O . LEU E 2 53 ? 47.263 -16.517 -51.303 1 88.204 ? 47 LEU E O 1 5 +ATOM 6264 C CB . LEU E 2 53 ? 45.368 -19.237 -50.554 1 85.635 ? 47 LEU E CB 1 5 +ATOM 6265 C CG . LEU E 2 53 ? 44.088 -19.756 -49.898 1 93.194 ? 47 LEU E CG 1 5 +ATOM 6266 C CD1 . LEU E 2 53 ? 44.377 -21.156 -49.381 1 96.303 ? 47 LEU E CD1 1 5 +ATOM 6267 C CD2 . LEU E 2 53 ? 43.591 -18.83 -48.794 1 94.12 ? 47 LEU E CD2 1 5 +ATOM 6268 N N . ILE E 2 54 ? 47.151 -18.292 -52.729 1 70.193 ? 48 ILE E N 1 5 +ATOM 6269 C CA . ILE E 2 54 ? 48.474 -18.129 -53.316 1 74.196 ? 48 ILE E CA 1 5 +ATOM 6270 C C . ILE E 2 54 ? 48.357 -17.972 -54.832 1 78.582 ? 48 ILE E C 1 5 +ATOM 6271 O O . ILE E 2 54 ? 47.51 -18.596 -55.449 1 90.007 ? 48 ILE E O 1 5 +ATOM 6272 C CB . ILE E 2 54 ? 49.376 -19.329 -52.989 1 76.342 ? 48 ILE E CB 1 5 +ATOM 6273 C CG1 . ILE E 2 54 ? 49.368 -19.725 -51.507 1 79.479 ? 48 ILE E CG1 1 5 +ATOM 6274 C CG2 . ILE E 2 54 ? 50.796 -19.051 -53.463 1 76.366 ? 48 ILE E CG2 1 5 +ATOM 6275 C CD1 . ILE E 2 54 ? 49.946 -18.676 -50.583 1 80.751 ? 48 ILE E CD1 1 5 +ATOM 6276 N N . TYR E 2 55 ? 49.232 -17.159 -55.435 1 82.116 ? 49 TYR E N 1 5 +ATOM 6277 C CA . TYR E 2 55 ? 49.358 -17.091 -56.886 1 88.485 ? 49 TYR E CA 1 5 +ATOM 6278 C C . TYR E 2 55 ? 50.848 -17.036 -57.228 1 92.781 ? 49 TYR E C 1 5 +ATOM 6279 O O . TYR E 2 55 ? 51.667 -16.792 -56.345 1 87.213 ? 49 TYR E O 1 5 +ATOM 6280 C CB . TYR E 2 55 ? 48.579 -15.931 -57.516 1 83.908 ? 49 TYR E CB 1 5 +ATOM 6281 C CG . TYR E 2 55 ? 48.971 -14.523 -57.089 1 88.86 ? 49 TYR E CG 1 5 +ATOM 6282 C CD1 . TYR E 2 55 ? 48.528 -13.99 -55.89 1 99.744 ? 49 TYR E CD1 1 5 +ATOM 6283 C CD2 . TYR E 2 55 ? 49.749 -13.703 -57.898 1 91.849 ? 49 TYR E CD2 1 5 +ATOM 6284 C CE1 . TYR E 2 55 ? 48.85 -12.702 -55.5 1 104.965 ? 49 TYR E CE1 1 5 +ATOM 6285 C CE2 . TYR E 2 55 ? 50.074 -12.404 -57.524 1 91.563 ? 49 TYR E CE2 1 5 +ATOM 6286 C CZ . TYR E 2 55 ? 49.62 -11.9 -56.317 1 94.718 ? 49 TYR E CZ 1 5 +ATOM 6287 O OH . TYR E 2 55 ? 49.859 -10.645 -55.835 1 85.122 ? 49 TYR E OH 1 5 +ATOM 6288 N N . TRP E 2 56 ? 51.185 -17.278 -58.504 1 93.077 ? 50 TRP E N 1 5 +ATOM 6289 C CA . TRP E 2 56 ? 52.574 -17.35 -58.95 1 94.077 ? 50 TRP E CA 1 5 +ATOM 6290 C C . TRP E 2 56 ? 53.32 -18.424 -58.147 1 88.398 ? 50 TRP E C 1 5 +ATOM 6291 O O . TRP E 2 56 ? 54.509 -18.293 -57.874 1 97.294 ? 50 TRP E O 1 5 +ATOM 6292 C CB . TRP E 2 56 ? 53.28 -15.969 -58.898 1 98.573 ? 50 TRP E CB 1 5 +ATOM 6293 C CG . TRP E 2 56 ? 52.782 -14.909 -59.865 1 99.705 ? 50 TRP E CG 1 5 +ATOM 6294 C CD1 . TRP E 2 56 ? 52.125 -15.076 -61.058 1 105.109 ? 50 TRP E CD1 1 5 +ATOM 6295 C CD2 . TRP E 2 56 ? 52.92 -13.48 -59.717 1 92.688 ? 50 TRP E CD2 1 5 +ATOM 6296 N NE1 . TRP E 2 56 ? 51.833 -13.876 -61.654 1 92.926 ? 50 TRP E NE1 1 5 +ATOM 6297 C CE2 . TRP E 2 56 ? 52.3 -12.877 -60.845 1 97.265 ? 50 TRP E CE2 1 5 +ATOM 6298 C CE3 . TRP E 2 56 ? 53.493 -12.663 -58.738 1 85.615 ? 50 TRP E CE3 1 5 +ATOM 6299 C CZ2 . TRP E 2 56 ? 52.252 -11.496 -61.017 1 97.738 ? 50 TRP E CZ2 1 5 +ATOM 6300 C CZ3 . TRP E 2 56 ? 53.443 -11.298 -58.91 1 90.406 ? 50 TRP E CZ3 1 5 +ATOM 6301 C CH2 . TRP E 2 56 ? 52.823 -10.726 -60.027 1 95.912 ? 50 TRP E CH2 1 5 +ATOM 6302 N N . ALA E 2 57 ? 52.605 -19.495 -57.781 1 85.446 ? 51 ALA E N 1 5 +ATOM 6303 C CA . ALA E 2 57 ? 53.127 -20.636 -57.033 1 89.01 ? 51 ALA E CA 1 5 +ATOM 6304 C C . ALA E 2 57 ? 53.385 -20.347 -55.543 1 85.448 ? 51 ALA E C 1 5 +ATOM 6305 O O . ALA E 2 57 ? 53.062 -21.206 -54.725 1 83.43 ? 51 ALA E O 1 5 +ATOM 6306 C CB . ALA E 2 57 ? 54.35 -21.228 -57.72 1 92.154 ? 51 ALA E CB 1 5 +ATOM 6307 N N . SER E 2 58 ? 53.996 -19.201 -55.182 1 83.649 ? 52 SER E N 1 5 +ATOM 6308 C CA . SER E 2 58 ? 54.386 -18.938 -53.8 1 86.531 ? 52 SER E CA 1 5 +ATOM 6309 C C . SER E 2 58 ? 54.053 -17.521 -53.334 1 85.06 ? 52 SER E C 1 5 +ATOM 6310 O O . SER E 2 58 ? 54.182 -17.243 -52.152 1 84.822 ? 52 SER E O 1 5 +ATOM 6311 C CB . SER E 2 58 ? 55.858 -19.234 -53.546 1 96.642 ? 52 SER E CB 1 5 +ATOM 6312 O OG . SER E 2 58 ? 56.72 -18.811 -54.595 1 106.564 ? 52 SER E OG 1 5 +ATOM 6313 N N . THR E 2 59 ? 53.631 -16.612 -54.22 1 87.311 ? 53 THR E N 1 5 +ATOM 6314 C CA . THR E 2 59 ? 53.261 -15.264 -53.79 1 88.092 ? 53 THR E CA 1 5 +ATOM 6315 C C . THR E 2 59 ? 51.889 -15.279 -53.114 1 86.478 ? 53 THR E C 1 5 +ATOM 6316 O O . THR E 2 59 ? 50.878 -15.621 -53.724 1 78.951 ? 53 THR E O 1 5 +ATOM 6317 C CB . THR E 2 59 ? 53.268 -14.293 -54.969 1 91.148 ? 53 THR E CB 1 5 +ATOM 6318 O OG1 . THR E 2 59 ? 54.627 -14.145 -55.36 1 97.991 ? 53 THR E OG1 1 5 +ATOM 6319 C CG2 . THR E 2 59 ? 52.731 -12.917 -54.624 1 89.353 ? 53 THR E CG2 1 5 +ATOM 6320 N N . ARG E 2 60 ? 51.859 -14.828 -51.86 1 87.329 ? 54 ARG E N 1 5 +ATOM 6321 C CA . ARG E 2 60 ? 50.657 -14.884 -51.051 1 80.725 ? 54 ARG E CA 1 5 +ATOM 6322 C C . ARG E 2 60 ? 49.82 -13.622 -51.249 1 83.768 ? 54 ARG E C 1 5 +ATOM 6323 O O . ARG E 2 60 ? 50.343 -12.511 -51.139 1 91.798 ? 54 ARG E O 1 5 +ATOM 6324 C CB . ARG E 2 60 ? 51.137 -15.013 -49.608 1 81.96 ? 54 ARG E CB 1 5 +ATOM 6325 C CG . ARG E 2 60 ? 50.099 -15.592 -48.668 1 79.676 ? 54 ARG E CG 1 5 +ATOM 6326 C CD . ARG E 2 60 ? 50.766 -15.989 -47.361 1 82.756 ? 54 ARG E CD 1 5 +ATOM 6327 N NE . ARG E 2 60 ? 51.239 -14.813 -46.617 1 100.585 ? 54 ARG E NE 1 5 +ATOM 6328 C CZ . ARG E 2 60 ? 52.483 -14.634 -46.212 1 106.775 ? 54 ARG E CZ 1 5 +ATOM 6329 N NH1 . ARG E 2 60 ? 53.391 -15.538 -46.522 1 101.075 ? 54 ARG E NH1 1 5 +ATOM 6330 N NH2 . ARG E 2 60 ? 52.812 -13.551 -45.531 1 109.486 ? 54 ARG E NH2 1 5 +ATOM 6331 N N . GLU E 2 61 ? 48.516 -13.815 -51.494 1 82.96 ? 55 GLU E N 1 5 +ATOM 6332 C CA . GLU E 2 61 ? 47.563 -12.73 -51.719 1 86.833 ? 55 GLU E CA 1 5 +ATOM 6333 C C . GLU E 2 61 ? 47.364 -11.92 -50.429 1 88.661 ? 55 GLU E C 1 5 +ATOM 6334 O O . GLU E 2 61 ? 47.551 -12.43 -49.321 1 93.366 ? 55 GLU E O 1 5 +ATOM 6335 C CB . GLU E 2 61 ? 46.247 -13.291 -52.278 1 86.794 ? 55 GLU E CB 1 5 +ATOM 6336 C CG . GLU E 2 61 ? 45.098 -12.287 -52.463 1 90.822 ? 55 GLU E CG 1 5 +ATOM 6337 C CD . GLU E 2 61 ? 45.018 -11.319 -53.655 1 97.219 ? 55 GLU E CD 1 5 +ATOM 6338 O OE1 . GLU E 2 61 ? 45.95 -11.163 -54.466 1 89.21 ? 55 GLU E OE1 1 5 +ATOM 6339 O OE2 . GLU E 2 61 ? 43.954 -10.662 -53.79 1 107.93 ? 55 GLU E OE2 1 5 +ATOM 6340 N N . SER E 2 62 ? 46.989 -10.641 -50.609 1 84.152 ? 56 SER E N 1 5 +ATOM 6341 C CA . SER E 2 62 ? 46.677 -9.686 -49.554 1 75.307 ? 56 SER E CA 1 5 +ATOM 6342 C C . SER E 2 62 ? 45.699 -10.304 -48.57 1 76.065 ? 56 SER E C 1 5 +ATOM 6343 O O . SER E 2 62 ? 44.646 -10.795 -48.977 1 89.552 ? 56 SER E O 1 5 +ATOM 6344 C CB . SER E 2 62 ? 46.068 -8.426 -50.127 1 81.528 ? 56 SER E CB 1 5 +ATOM 6345 O OG . SER E 2 62 ? 46.431 -8.183 -51.493 1 100.607 ? 56 SER E OG 1 5 +ATOM 6346 N N . GLY E 2 63 ? 46.05 -10.271 -47.28 1 80.932 ? 57 GLY E N 1 5 +ATOM 6347 C CA . GLY E 2 63 ? 45.143 -10.677 -46.214 1 77.216 ? 57 GLY E CA 1 5 +ATOM 6348 C C . GLY E 2 63 ? 45.3 -12.147 -45.831 1 82.564 ? 57 GLY E C 1 5 +ATOM 6349 O O . GLY E 2 63 ? 44.826 -12.556 -44.786 1 90.696 ? 57 GLY E O 1 5 +ATOM 6350 N N . VAL E 2 64 ? 45.971 -12.954 -46.654 1 85.267 ? 58 VAL E N 1 5 +ATOM 6351 C CA . VAL E 2 64 ? 46.111 -14.37 -46.361 1 73.721 ? 58 VAL E CA 1 5 +ATOM 6352 C C . VAL E 2 64 ? 47.188 -14.515 -45.298 1 68.551 ? 58 VAL E C 1 5 +ATOM 6353 O O . VAL E 2 64 ? 48.283 -13.973 -45.465 1 70.58 ? 58 VAL E O 1 5 +ATOM 6354 C CB . VAL E 2 64 ? 46.454 -15.16 -47.641 1 75.074 ? 58 VAL E CB 1 5 +ATOM 6355 C CG1 . VAL E 2 64 ? 46.764 -16.629 -47.349 1 74.845 ? 58 VAL E CG1 1 5 +ATOM 6356 C CG2 . VAL E 2 64 ? 45.361 -15.029 -48.698 1 76.094 ? 58 VAL E CG2 1 5 +ATOM 6357 N N . PRO E 2 65 ? 46.914 -15.235 -44.19 1 68.389 ? 59 PRO E N 1 5 +ATOM 6358 C CA . PRO E 2 65 ? 47.871 -15.396 -43.095 1 72.465 ? 59 PRO E CA 1 5 +ATOM 6359 C C . PRO E 2 65 ? 49.213 -15.981 -43.519 1 76.015 ? 59 PRO E C 1 5 +ATOM 6360 O O . PRO E 2 65 ? 49.277 -16.771 -44.474 1 64.848 ? 59 PRO E O 1 5 +ATOM 6361 C CB . PRO E 2 65 ? 47.168 -16.327 -42.082 1 67.846 ? 59 PRO E CB 1 5 +ATOM 6362 C CG . PRO E 2 65 ? 45.718 -16.203 -42.417 1 68.543 ? 59 PRO E CG 1 5 +ATOM 6363 C CD . PRO E 2 65 ? 45.657 -15.929 -43.914 1 69.546 ? 59 PRO E CD 1 5 +ATOM 6364 N N . ASP E 2 66 ? 50.227 -15.616 -42.708 1 88.761 ? 60 ASP E N 1 5 +ATOM 6365 C CA . ASP E 2 66 ? 51.602 -16.088 -42.776 1 96.037 ? 60 ASP E CA 1 5 +ATOM 6366 C C . ASP E 2 66 ? 51.692 -17.619 -42.948 1 92.836 ? 60 ASP E C 1 5 +ATOM 6367 O O . ASP E 2 66 ? 52.654 -18.068 -43.549 1 87.931 ? 60 ASP E O 1 5 +ATOM 6368 C CB . ASP E 2 66 ? 52.394 -15.558 -41.573 1 105.233 ? 60 ASP E CB 1 5 +ATOM 6369 C CG . ASP E 2 66 ? 51.987 -15.955 -40.14 1 111.786 ? 60 ASP E CG 1 5 +ATOM 6370 O OD1 . ASP E 2 66 ? 50.923 -16.57 -39.888 1 99.876 ? 60 ASP E OD1 1 5 +ATOM 6371 O OD2 . ASP E 2 66 ? 52.726 -15.593 -39.205 1 110.77 ? 60 ASP E OD2 1 5 +ATOM 6372 N N . ARG E 2 67 ? 50.741 -18.414 -42.406 1 92.13 ? 61 ARG E N 1 5 +ATOM 6373 C CA . ARG E 2 67 ? 50.861 -19.874 -42.288 1 85.121 ? 61 ARG E CA 1 5 +ATOM 6374 C C . ARG E 2 67 ? 50.673 -20.597 -43.629 1 82.979 ? 61 ARG E C 1 5 +ATOM 6375 O O . ARG E 2 67 ? 51.227 -21.672 -43.846 1 75.138 ? 61 ARG E O 1 5 +ATOM 6376 C CB . ARG E 2 67 ? 49.922 -20.439 -41.213 1 79.342 ? 61 ARG E CB 1 5 +ATOM 6377 C CG . ARG E 2 67 ? 48.441 -20.22 -41.48 1 81.071 ? 61 ARG E CG 1 5 +ATOM 6378 C CD . ARG E 2 67 ? 47.538 -20.928 -40.462 1 83.12 ? 61 ARG E CD 1 5 +ATOM 6379 N NE . ARG E 2 67 ? 46.11 -20.638 -40.629 1 82.029 ? 61 ARG E NE 1 5 +ATOM 6380 C CZ . ARG E 2 67 ? 45.515 -19.512 -40.243 1 92.437 ? 61 ARG E CZ 1 5 +ATOM 6381 N NH1 . ARG E 2 67 ? 46.198 -18.582 -39.592 1 91.631 ? 61 ARG E NH1 1 5 +ATOM 6382 N NH2 . ARG E 2 67 ? 44.229 -19.317 -40.483 1 104.652 ? 61 ARG E NH2 1 5 +ATOM 6383 N N . PHE E 2 68 ? 49.907 -20.011 -44.549 1 82.824 ? 62 PHE E N 1 5 +ATOM 6384 C CA . PHE E 2 68 ? 49.764 -20.572 -45.885 1 81.957 ? 62 PHE E CA 1 5 +ATOM 6385 C C . PHE E 2 68 ? 51.017 -20.263 -46.696 1 94.155 ? 62 PHE E C 1 5 +ATOM 6386 O O . PHE E 2 68 ? 51.46 -19.117 -46.701 1 109.739 ? 62 PHE E O 1 5 +ATOM 6387 C CB . PHE E 2 68 ? 48.527 -19.996 -46.58 1 79.508 ? 62 PHE E CB 1 5 +ATOM 6388 C CG . PHE E 2 68 ? 47.23 -20.431 -45.921 1 79.141 ? 62 PHE E CG 1 5 +ATOM 6389 C CD1 . PHE E 2 68 ? 46.728 -19.759 -44.816 1 82.684 ? 62 PHE E CD1 1 5 +ATOM 6390 C CD2 . PHE E 2 68 ? 46.542 -21.532 -46.39 1 83.254 ? 62 PHE E CD2 1 5 +ATOM 6391 C CE1 . PHE E 2 68 ? 45.583 -20.2 -44.186 1 82.313 ? 62 PHE E CE1 1 5 +ATOM 6392 C CE2 . PHE E 2 68 ? 45.37 -21.936 -45.785 1 88.171 ? 62 PHE E CE2 1 5 +ATOM 6393 C CZ . PHE E 2 68 ? 44.895 -21.271 -44.685 1 89.349 ? 62 PHE E CZ 1 5 +ATOM 6394 N N . SER E 2 69 ? 51.582 -21.276 -47.374 1 101.792 ? 63 SER E N 1 5 +ATOM 6395 C CA . SER E 2 69 ? 52.832 -21.108 -48.118 1 104.65 ? 63 SER E CA 1 5 +ATOM 6396 C C . SER E 2 69 ? 52.919 -22.076 -49.297 1 113.587 ? 63 SER E C 1 5 +ATOM 6397 O O . SER E 2 69 ? 52.92 -23.293 -49.11 1 124.201 ? 63 SER E O 1 5 +ATOM 6398 C CB . SER E 2 69 ? 54.043 -21.247 -47.222 1 92.375 ? 63 SER E CB 1 5 +ATOM 6399 O OG . SER E 2 69 ? 53.844 -22.267 -46.249 1 91.227 ? 63 SER E OG 1 5 +ATOM 6400 N N . GLY E 2 70 ? 53.029 -21.521 -50.514 1 115.066 ? 64 GLY E N 1 5 +ATOM 6401 C CA . GLY E 2 70 ? 53.174 -22.331 -51.72 1 114.798 ? 64 GLY E CA 1 5 +ATOM 6402 C C . GLY E 2 70 ? 54.643 -22.565 -52.069 1 110.591 ? 64 GLY E C 1 5 +ATOM 6403 O O . GLY E 2 70 ? 55.468 -21.71 -51.749 1 102.519 ? 64 GLY E O 1 5 +ATOM 6404 N N . SER E 2 71 ? 54.957 -23.703 -52.728 1 104.69 ? 65 SER E N 1 5 +ATOM 6405 C CA . SER E 2 71 ? 56.342 -24.069 -53.04 1 100.844 ? 65 SER E CA 1 5 +ATOM 6406 C C . SER E 2 71 ? 56.409 -25.04 -54.218 1 94.673 ? 65 SER E C 1 5 +ATOM 6407 O O . SER E 2 71 ? 55.428 -25.728 -54.488 1 87.646 ? 65 SER E O 1 5 +ATOM 6408 C CB . SER E 2 71 ? 57.053 -24.658 -51.844 1 103.649 ? 65 SER E CB 1 5 +ATOM 6409 O OG . SER E 2 71 ? 56.311 -25.732 -51.277 1 101.944 ? 65 SER E OG 1 5 +ATOM 6410 N N . GLY E 2 72 ? 57.558 -25.06 -54.926 1 92.819 ? 66 GLY E N 1 5 +ATOM 6411 C CA . GLY E 2 72 ? 57.747 -25.922 -56.089 1 94.309 ? 66 GLY E CA 1 5 +ATOM 6412 C C . GLY E 2 72 ? 57.81 -25.145 -57.411 1 99.468 ? 66 GLY E C 1 5 +ATOM 6413 O O . GLY E 2 72 ? 57.535 -23.943 -57.453 1 98.703 ? 66 GLY E O 1 5 +ATOM 6414 N N . SER E 2 73 ? 58.174 -25.848 -58.498 1 100.235 ? 67 SER E N 1 5 +ATOM 6415 C CA . SER E 2 73 ? 58.272 -25.26 -59.83 1 94.376 ? 67 SER E CA 1 5 +ATOM 6416 C C . SER E 2 73 ? 58.129 -26.365 -60.874 1 95.6 ? 67 SER E C 1 5 +ATOM 6417 O O . SER E 2 73 ? 58.238 -27.548 -60.556 1 98.97 ? 67 SER E O 1 5 +ATOM 6418 C CB . SER E 2 73 ? 59.554 -24.443 -60.018 1 91.337 ? 67 SER E CB 1 5 +ATOM 6419 O OG . SER E 2 73 ? 60.676 -25.22 -60.382 1 91.311 ? 67 SER E OG 1 5 +ATOM 6420 N N . GLY E 2 74 ? 57.824 -25.979 -62.113 1 96.311 ? 68 GLY E N 1 5 +ATOM 6421 C CA . GLY E 2 74 ? 57.71 -26.953 -63.183 1 100.836 ? 68 GLY E CA 1 5 +ATOM 6422 C C . GLY E 2 74 ? 56.348 -27.643 -63.158 1 103.483 ? 68 GLY E C 1 5 +ATOM 6423 O O . GLY E 2 74 ? 55.371 -27.076 -63.643 1 108.109 ? 68 GLY E O 1 5 +ATOM 6424 N N . THR E 2 75 ? 56.283 -28.858 -62.592 1 104.526 ? 69 THR E N 1 5 +ATOM 6425 C CA . THR E 2 75 ? 55.059 -29.646 -62.64 1 111.894 ? 69 THR E CA 1 5 +ATOM 6426 C C . THR E 2 75 ? 54.596 -30.057 -61.243 1 119.455 ? 69 THR E C 1 5 +ATOM 6427 O O . THR E 2 75 ? 53.401 -30.242 -61.077 1 130.462 ? 69 THR E O 1 5 +ATOM 6428 C CB . THR E 2 75 ? 55.178 -30.878 -63.54 1 116.875 ? 69 THR E CB 1 5 +ATOM 6429 O OG1 . THR E 2 75 ? 56.282 -31.663 -63.103 1 140.093 ? 69 THR E OG1 1 5 +ATOM 6430 C CG2 . THR E 2 75 ? 55.357 -30.537 -65.009 1 119.188 ? 69 THR E CG2 1 5 +ATOM 6431 N N . ASP E 2 76 ? 55.492 -30.22 -60.252 1 120.041 ? 70 ASP E N 1 5 +ATOM 6432 C CA . ASP E 2 76 ? 55.063 -30.573 -58.897 1 109.759 ? 70 ASP E CA 1 5 +ATOM 6433 C C . ASP E 2 76 ? 55.117 -29.334 -57.992 1 106.083 ? 70 ASP E C 1 5 +ATOM 6434 O O . ASP E 2 76 ? 56.076 -28.554 -58.033 1 102.165 ? 70 ASP E O 1 5 +ATOM 6435 C CB . ASP E 2 76 ? 55.741 -31.825 -58.342 1 109.419 ? 70 ASP E CB 1 5 +ATOM 6436 C CG . ASP E 2 76 ? 57.266 -31.903 -58.372 1 117.345 ? 70 ASP E CG 1 5 +ATOM 6437 O OD1 . ASP E 2 76 ? 57.889 -31.067 -59.062 1 129.694 ? 70 ASP E OD1 1 5 +ATOM 6438 O OD2 . ASP E 2 76 ? 57.828 -32.783 -57.673 1 115.942 ? 70 ASP E OD2 1 5 +ATOM 6439 N N . PHE E 2 77 ? 54.05 -29.165 -57.187 1 95.858 ? 71 PHE E N 1 5 +ATOM 6440 C CA . PHE E 2 77 ? 53.866 -28.014 -56.315 1 94.984 ? 71 PHE E CA 1 5 +ATOM 6441 C C . PHE E 2 77 ? 53.324 -28.47 -54.965 1 98.839 ? 71 PHE E C 1 5 +ATOM 6442 O O . PHE E 2 77 ? 52.823 -29.585 -54.867 1 116.631 ? 71 PHE E O 1 5 +ATOM 6443 C CB . PHE E 2 77 ? 52.894 -27.031 -56.978 1 105.19 ? 71 PHE E CB 1 5 +ATOM 6444 C CG . PHE E 2 77 ? 53.439 -26.359 -58.232 1 102.707 ? 71 PHE E CG 1 5 +ATOM 6445 C CD1 . PHE E 2 77 ? 54.248 -25.234 -58.127 1 101.817 ? 71 PHE E CD1 1 5 +ATOM 6446 C CD2 . PHE E 2 77 ? 53.152 -26.858 -59.497 1 93.94 ? 71 PHE E CD2 1 5 +ATOM 6447 C CE1 . PHE E 2 77 ? 54.752 -24.626 -59.256 1 103.555 ? 71 PHE E CE1 1 5 +ATOM 6448 C CE2 . PHE E 2 77 ? 53.662 -26.249 -60.622 1 93.618 ? 71 PHE E CE2 1 5 +ATOM 6449 C CZ . PHE E 2 77 ? 54.464 -25.138 -60.498 1 102.757 ? 71 PHE E CZ 1 5 +ATOM 6450 N N . THR E 2 78 ? 53.37 -27.592 -53.945 1 101.506 ? 72 THR E N 1 5 +ATOM 6451 C CA . THR E 2 78 ? 52.934 -27.96 -52.599 1 102.122 ? 72 THR E CA 1 5 +ATOM 6452 C C . THR E 2 78 ? 52.373 -26.764 -51.833 1 102.432 ? 72 THR E C 1 5 +ATOM 6453 O O . THR E 2 78 ? 53.041 -25.741 -51.736 1 116.108 ? 72 THR E O 1 5 +ATOM 6454 C CB . THR E 2 78 ? 54.108 -28.56 -51.829 1 102.446 ? 72 THR E CB 1 5 +ATOM 6455 O OG1 . THR E 2 78 ? 54.461 -29.767 -52.496 1 103.306 ? 72 THR E OG1 1 5 +ATOM 6456 C CG2 . THR E 2 78 ? 53.759 -28.845 -50.378 1 101.002 ? 72 THR E CG2 1 5 +ATOM 6457 N N . LEU E 2 79 ? 51.169 -26.932 -51.258 1 103.177 ? 73 LEU E N 1 5 +ATOM 6458 C CA . LEU E 2 79 ? 50.567 -25.952 -50.357 1 97.669 ? 73 LEU E CA 1 5 +ATOM 6459 C C . LEU E 2 79 ? 50.797 -26.402 -48.918 1 89.649 ? 73 LEU E C 1 5 +ATOM 6460 O O . LEU E 2 79 ? 50.535 -27.555 -48.61 1 92.302 ? 73 LEU E O 1 5 +ATOM 6461 C CB . LEU E 2 79 ? 49.069 -25.795 -50.645 1 90.604 ? 73 LEU E CB 1 5 +ATOM 6462 C CG . LEU E 2 79 ? 48.29 -24.906 -49.669 1 87.427 ? 73 LEU E CG 1 5 +ATOM 6463 C CD1 . LEU E 2 79 ? 48.797 -23.469 -49.761 1 89.108 ? 73 LEU E CD1 1 5 +ATOM 6464 C CD2 . LEU E 2 79 ? 46.797 -24.97 -49.919 1 85.182 ? 73 LEU E CD2 1 5 +ATOM 6465 N N . THR E 2 80 ? 51.252 -25.496 -48.041 1 86.882 ? 74 THR E N 1 5 +ATOM 6466 C CA . THR E 2 80 ? 51.548 -25.875 -46.663 1 87.651 ? 74 THR E CA 1 5 +ATOM 6467 C C . THR E 2 80 ? 50.86 -24.936 -45.659 1 94.247 ? 74 THR E C 1 5 +ATOM 6468 O O . THR E 2 80 ? 51.096 -23.724 -45.641 1 97.716 ? 74 THR E O 1 5 +ATOM 6469 C CB . THR E 2 80 ? 53.057 -25.909 -46.41 1 81.203 ? 74 THR E CB 1 5 +ATOM 6470 O OG1 . THR E 2 80 ? 53.619 -26.69 -47.458 1 76.726 ? 74 THR E OG1 1 5 +ATOM 6471 C CG2 . THR E 2 80 ? 53.39 -26.478 -45.037 1 81.061 ? 74 THR E CG2 1 5 +ATOM 6472 N N . ILE E 2 81 ? 50.068 -25.54 -44.76 1 83.252 ? 75 ILE E N 1 5 +ATOM 6473 C CA . ILE E 2 81 ? 49.512 -24.848 -43.616 1 76.006 ? 75 ILE E CA 1 5 +ATOM 6474 C C . ILE E 2 81 ? 50.319 -25.255 -42.389 1 78.868 ? 75 ILE E C 1 5 +ATOM 6475 O O . ILE E 2 81 ? 50.252 -26.404 -41.949 1 86.79 ? 75 ILE E O 1 5 +ATOM 6476 C CB . ILE E 2 81 ? 48.017 -25.178 -43.495 1 72.549 ? 75 ILE E CB 1 5 +ATOM 6477 C CG1 . ILE E 2 81 ? 47.288 -24.952 -44.831 1 71.463 ? 75 ILE E CG1 1 5 +ATOM 6478 C CG2 . ILE E 2 81 ? 47.379 -24.394 -42.349 1 71.996 ? 75 ILE E CG2 1 5 +ATOM 6479 C CD1 . ILE E 2 81 ? 45.828 -25.351 -44.824 1 67.977 ? 75 ILE E CD1 1 5 +ATOM 6480 N N . SER E 2 82 ? 51.097 -24.299 -41.856 1 84.529 ? 76 SER E N 1 5 +ATOM 6481 C CA . SER E 2 82 ? 52.073 -24.579 -40.809 1 90.422 ? 76 SER E CA 1 5 +ATOM 6482 C C . SER E 2 82 ? 51.4 -25.001 -39.504 1 98.626 ? 76 SER E C 1 5 +ATOM 6483 O O . SER E 2 82 ? 51.86 -25.927 -38.809 1 103.493 ? 76 SER E O 1 5 +ATOM 6484 C CB . SER E 2 82 ? 52.939 -23.396 -40.572 1 91.058 ? 76 SER E CB 1 5 +ATOM 6485 O OG . SER E 2 82 ? 53.619 -23.084 -41.774 1 103.307 ? 76 SER E OG 1 5 +ATOM 6486 N N . SER E 2 83 ? 50.329 -24.278 -39.166 1 94.826 ? 77 SER E N 1 5 +ATOM 6487 C CA . SER E 2 83 ? 49.628 -24.481 -37.91 1 97.026 ? 77 SER E CA 1 5 +ATOM 6488 C C . SER E 2 83 ? 48.14 -24.498 -38.237 1 97.02 ? 77 SER E C 1 5 +ATOM 6489 O O . SER E 2 83 ? 47.531 -23.445 -38.384 1 93.874 ? 77 SER E O 1 5 +ATOM 6490 C CB . SER E 2 83 ? 50.017 -23.387 -36.911 1 103.086 ? 77 SER E CB 1 5 +ATOM 6491 O OG . SER E 2 83 ? 49.657 -23.672 -35.565 1 109.549 ? 77 SER E OG 1 5 +ATOM 6492 N N . LEU E 2 84 ? 47.575 -25.696 -38.424 1 95.859 ? 78 LEU E N 1 5 +ATOM 6493 C CA . LEU E 2 84 ? 46.194 -25.81 -38.884 1 88.553 ? 78 LEU E CA 1 5 +ATOM 6494 C C . LEU E 2 84 ? 45.234 -25.226 -37.845 1 85.268 ? 78 LEU E C 1 5 +ATOM 6495 O O . LEU E 2 84 ? 45.265 -25.603 -36.675 1 86.607 ? 78 LEU E O 1 5 +ATOM 6496 C CB . LEU E 2 84 ? 45.836 -27.259 -39.215 1 84.29 ? 78 LEU E CB 1 5 +ATOM 6497 C CG . LEU E 2 84 ? 44.514 -27.498 -39.964 1 75.559 ? 78 LEU E CG 1 5 +ATOM 6498 C CD1 . LEU E 2 84 ? 44.46 -26.919 -41.351 1 77.397 ? 78 LEU E CD1 1 5 +ATOM 6499 C CD2 . LEU E 2 84 ? 44.312 -28.99 -40.088 1 84.319 ? 78 LEU E CD2 1 5 +ATOM 6500 N N . GLN E 2 85 ? 44.354 -24.326 -38.298 1 82.183 ? 79 GLN E N 1 5 +ATOM 6501 C CA . GLN E 2 85 ? 43.388 -23.683 -37.426 1 85.353 ? 79 GLN E CA 1 5 +ATOM 6502 C C . GLN E 2 85 ? 42.003 -24.238 -37.698 1 83.505 ? 79 GLN E C 1 5 +ATOM 6503 O O . GLN E 2 85 ? 41.767 -24.781 -38.777 1 87.016 ? 79 GLN E O 1 5 +ATOM 6504 C CB . GLN E 2 85 ? 43.383 -22.181 -37.695 1 92.285 ? 79 GLN E CB 1 5 +ATOM 6505 C CG . GLN E 2 85 ? 44.71 -21.502 -37.393 1 93.906 ? 79 GLN E CG 1 5 +ATOM 6506 C CD . GLN E 2 85 ? 45.05 -21.607 -35.926 1 89.134 ? 79 GLN E CD 1 5 +ATOM 6507 O OE1 . GLN E 2 85 ? 44.374 -20.994 -35.088 1 100.263 ? 79 GLN E OE1 1 5 +ATOM 6508 N NE2 . GLN E 2 85 ? 46.067 -22.405 -35.619 1 78.821 ? 79 GLN E NE2 1 5 +ATOM 6509 N N . ALA E 2 86 ? 41.098 -24.058 -36.729 1 82.227 ? 80 ALA E N 1 5 +ATOM 6510 C CA . ALA E 2 86 ? 39.712 -24.465 -36.894 1 84.282 ? 80 ALA E CA 1 5 +ATOM 6511 C C . ALA E 2 86 ? 39.118 -23.839 -38.154 1 78.57 ? 80 ALA E C 1 5 +ATOM 6512 O O . ALA E 2 86 ? 38.445 -24.521 -38.936 1 74.709 ? 80 ALA E O 1 5 +ATOM 6513 C CB . ALA E 2 86 ? 38.933 -24.065 -35.664 1 89.107 ? 80 ALA E CB 1 5 +ATOM 6514 N N . GLU E 2 87 ? 39.418 -22.544 -38.327 1 80.045 ? 81 GLU E N 1 5 +ATOM 6515 C CA . GLU E 2 87 ? 38.967 -21.735 -39.445 1 76.375 ? 81 GLU E CA 1 5 +ATOM 6516 C C . GLU E 2 87 ? 39.521 -22.22 -40.785 1 68.066 ? 81 GLU E C 1 5 +ATOM 6517 O O . GLU E 2 87 ? 39.281 -21.562 -41.779 1 68.667 ? 81 GLU E O 1 5 +ATOM 6518 C CB . GLU E 2 87 ? 39.318 -20.25 -39.254 1 78.146 ? 81 GLU E CB 1 5 +ATOM 6519 C CG . GLU E 2 87 ? 40.655 -19.956 -38.577 1 89.263 ? 81 GLU E CG 1 5 +ATOM 6520 C CD . GLU E 2 87 ? 40.673 -19.829 -37.036 1 118.814 ? 81 GLU E CD 1 5 +ATOM 6521 O OE1 . GLU E 2 87 ? 41.705 -19.378 -36.443 1 110.808 ? 81 GLU E OE1 1 5 +ATOM 6522 O OE2 . GLU E 2 87 ? 39.666 -20.18 -36.371 1 127.79 ? 81 GLU E OE2 1 5 +ATOM 6523 N N . ASP E 2 88 ? 40.286 -23.318 -40.841 1 71.046 ? 82 ASP E N 1 5 +ATOM 6524 C CA . ASP E 2 88 ? 40.974 -23.679 -42.084 1 79.108 ? 82 ASP E CA 1 5 +ATOM 6525 C C . ASP E 2 88 ? 40.351 -24.902 -42.741 1 79.623 ? 82 ASP E C 1 5 +ATOM 6526 O O . ASP E 2 88 ? 40.781 -25.266 -43.828 1 75.007 ? 82 ASP E O 1 5 +ATOM 6527 C CB . ASP E 2 88 ? 42.463 -23.927 -41.894 1 75.89 ? 82 ASP E CB 1 5 +ATOM 6528 C CG . ASP E 2 88 ? 43.27 -22.699 -41.498 1 84.603 ? 82 ASP E CG 1 5 +ATOM 6529 O OD1 . ASP E 2 88 ? 42.842 -21.577 -41.852 1 91.04 ? 82 ASP E OD1 1 5 +ATOM 6530 O OD2 . ASP E 2 88 ? 44.308 -22.869 -40.821 1 85.632 ? 82 ASP E OD2 1 5 +ATOM 6531 N N . VAL E 2 89 ? 39.333 -25.487 -42.095 1 78.204 ? 83 VAL E N 1 5 +ATOM 6532 C CA . VAL E 2 89 ? 38.628 -26.624 -42.653 1 74.813 ? 83 VAL E CA 1 5 +ATOM 6533 C C . VAL E 2 89 ? 37.888 -26.174 -43.909 1 77.066 ? 83 VAL E C 1 5 +ATOM 6534 O O . VAL E 2 89 ? 36.883 -25.472 -43.829 1 78.157 ? 83 VAL E O 1 5 +ATOM 6535 C CB . VAL E 2 89 ? 37.67 -27.216 -41.604 1 79.262 ? 83 VAL E CB 1 5 +ATOM 6536 C CG1 . VAL E 2 89 ? 36.781 -28.313 -42.186 1 85.798 ? 83 VAL E CG1 1 5 +ATOM 6537 C CG2 . VAL E 2 89 ? 38.423 -27.742 -40.393 1 86.501 ? 83 VAL E CG2 1 5 +ATOM 6538 N N . ALA E 2 90 ? 38.398 -26.61 -45.065 1 84.209 ? 84 ALA E N 1 5 +ATOM 6539 C CA . ALA E 2 90 ? 37.859 -26.243 -46.366 1 87.303 ? 84 ALA E CA 1 5 +ATOM 6540 C C . ALA E 2 90 ? 38.381 -27.206 -47.432 1 84.636 ? 84 ALA E C 1 5 +ATOM 6541 O O . ALA E 2 90 ? 39.207 -28.072 -47.143 1 88.982 ? 84 ALA E O 1 5 +ATOM 6542 C CB . ALA E 2 90 ? 38.247 -24.807 -46.693 1 97.22 ? 84 ALA E CB 1 5 +ATOM 6543 N N . VAL E 2 91 ? 37.905 -27.049 -48.67 1 74.701 ? 85 VAL E N 1 5 +ATOM 6544 C CA . VAL E 2 91 ? 38.446 -27.815 -49.78 1 76.789 ? 85 VAL E CA 1 5 +ATOM 6545 C C . VAL E 2 91 ? 39.434 -26.918 -50.515 1 75.213 ? 85 VAL E C 1 5 +ATOM 6546 O O . VAL E 2 91 ? 39.063 -25.834 -50.953 1 74.033 ? 85 VAL E O 1 5 +ATOM 6547 C CB . VAL E 2 91 ? 37.374 -28.343 -50.758 1 81.25 ? 85 VAL E CB 1 5 +ATOM 6548 C CG1 . VAL E 2 91 ? 37.994 -29.206 -51.858 1 87.69 ? 85 VAL E CG1 1 5 +ATOM 6549 C CG2 . VAL E 2 91 ? 36.261 -29.091 -50.038 1 80.095 ? 85 VAL E CG2 1 5 +ATOM 6550 N N . TYR E 2 92 ? 40.671 -27.396 -50.697 1 78.112 ? 86 TYR E N 1 5 +ATOM 6551 C CA . TYR E 2 92 ? 41.698 -26.633 -51.401 1 75.025 ? 86 TYR E CA 1 5 +ATOM 6552 C C . TYR E 2 92 ? 41.782 -27.074 -52.865 1 76.114 ? 86 TYR E C 1 5 +ATOM 6553 O O . TYR E 2 92 ? 41.71 -28.264 -53.164 1 78.731 ? 86 TYR E O 1 5 +ATOM 6554 C CB . TYR E 2 92 ? 43.011 -26.735 -50.619 1 72.353 ? 86 TYR E CB 1 5 +ATOM 6555 C CG . TYR E 2 92 ? 42.858 -26.11 -49.235 1 76.926 ? 86 TYR E CG 1 5 +ATOM 6556 C CD1 . TYR E 2 92 ? 42.26 -26.814 -48.189 1 78.781 ? 86 TYR E CD1 1 5 +ATOM 6557 C CD2 . TYR E 2 92 ? 43.253 -24.804 -48.983 1 78.06 ? 86 TYR E CD2 1 5 +ATOM 6558 C CE1 . TYR E 2 92 ? 42.097 -26.257 -46.934 1 78.247 ? 86 TYR E CE1 1 5 +ATOM 6559 C CE2 . TYR E 2 92 ? 43.096 -24.236 -47.729 1 84.763 ? 86 TYR E CE2 1 5 +ATOM 6560 C CZ . TYR E 2 92 ? 42.515 -24.961 -46.7 1 86.165 ? 86 TYR E CZ 1 5 +ATOM 6561 O OH . TYR E 2 92 ? 42.338 -24.401 -45.459 1 89.432 ? 86 TYR E OH 1 5 +ATOM 6562 N N . TYR E 2 93 ? 41.913 -26.093 -53.777 1 72.851 ? 87 TYR E N 1 5 +ATOM 6563 C CA . TYR E 2 93 ? 42.022 -26.359 -55.203 1 72.575 ? 87 TYR E CA 1 5 +ATOM 6564 C C . TYR E 2 93 ? 43.304 -25.727 -55.736 1 76.091 ? 87 TYR E C 1 5 +ATOM 6565 O O . TYR E 2 93 ? 43.627 -24.607 -55.375 1 72.359 ? 87 TYR E O 1 5 +ATOM 6566 C CB . TYR E 2 93 ? 40.828 -25.793 -55.973 1 63.999 ? 87 TYR E CB 1 5 +ATOM 6567 C CG . TYR E 2 93 ? 39.51 -26.477 -55.665 1 67.321 ? 87 TYR E CG 1 5 +ATOM 6568 C CD1 . TYR E 2 93 ? 38.696 -26.031 -54.629 1 79.69 ? 87 TYR E CD1 1 5 +ATOM 6569 C CD2 . TYR E 2 93 ? 39.064 -27.556 -56.411 1 74.774 ? 87 TYR E CD2 1 5 +ATOM 6570 C CE1 . TYR E 2 93 ? 37.478 -26.627 -54.342 1 77.518 ? 87 TYR E CE1 1 5 +ATOM 6571 C CE2 . TYR E 2 93 ? 37.846 -28.162 -56.144 1 77.629 ? 87 TYR E CE2 1 5 +ATOM 6572 C CZ . TYR E 2 93 ? 37.063 -27.699 -55.105 1 76.418 ? 87 TYR E CZ 1 5 +ATOM 6573 O OH . TYR E 2 93 ? 35.875 -28.284 -54.846 1 81.681 ? 87 TYR E OH 1 5 +ATOM 6574 N N . CYS E 2 94 ? 44.007 -26.44 -56.622 1 81.987 ? 88 CYS E N 1 5 +ATOM 6575 C CA . CYS E 2 94 ? 45.106 -25.858 -57.371 1 89.125 ? 88 CYS E CA 1 5 +ATOM 6576 C C . CYS E 2 94 ? 44.617 -25.494 -58.775 1 92.21 ? 88 CYS E C 1 5 +ATOM 6577 O O . CYS E 2 94 ? 43.627 -26.045 -59.239 1 104.653 ? 88 CYS E O 1 5 +ATOM 6578 C CB . CYS E 2 94 ? 46.312 -26.787 -57.331 1 94.091 ? 88 CYS E CB 1 5 +ATOM 6579 S SG . CYS E 2 94 ? 46.184 -28.236 -58.401 1 97.945 ? 88 CYS E SG 1 5 +ATOM 6580 N N . GLN E 2 95 ? 45.3 -24.571 -59.461 1 86.757 ? 89 GLN E N 1 5 +ATOM 6581 C CA . GLN E 2 95 ? 44.815 -24.106 -60.75 1 82.992 ? 89 GLN E CA 1 5 +ATOM 6582 C C . GLN E 2 95 ? 45.982 -23.574 -61.57 1 81.862 ? 89 GLN E C 1 5 +ATOM 6583 O O . GLN E 2 95 ? 46.755 -22.766 -61.084 1 80.198 ? 89 GLN E O 1 5 +ATOM 6584 C CB . GLN E 2 95 ? 43.791 -22.98 -60.584 1 85.005 ? 89 GLN E CB 1 5 +ATOM 6585 C CG . GLN E 2 95 ? 43.176 -22.489 -61.895 1 92.972 ? 89 GLN E CG 1 5 +ATOM 6586 C CD . GLN E 2 95 ? 43.172 -20.978 -62.054 1 103.022 ? 89 GLN E CD 1 5 +ATOM 6587 O OE1 . GLN E 2 95 ? 43.552 -20.243 -61.138 1 113.894 ? 89 GLN E OE1 1 5 +ATOM 6588 N NE2 . GLN E 2 95 ? 42.741 -20.477 -63.21 1 103.449 ? 89 GLN E NE2 1 5 +ATOM 6589 N N . GLN E 2 96 ? 46.073 -23.982 -62.837 1 86.686 ? 90 GLN E N 1 5 +ATOM 6590 C CA . GLN E 2 96 ? 47.003 -23.356 -63.765 1 91.472 ? 90 GLN E CA 1 5 +ATOM 6591 C C . GLN E 2 96 ? 46.313 -22.187 -64.473 1 95.224 ? 90 GLN E C 1 5 +ATOM 6592 O O . GLN E 2 96 ? 45.147 -22.278 -64.88 1 100.446 ? 90 GLN E O 1 5 +ATOM 6593 C CB . GLN E 2 96 ? 47.564 -24.379 -64.753 1 99.446 ? 90 GLN E CB 1 5 +ATOM 6594 C CG . GLN E 2 96 ? 46.576 -24.835 -65.823 1 98.296 ? 90 GLN E CG 1 5 +ATOM 6595 C CD . GLN E 2 96 ? 46.677 -24.027 -67.094 1 101.593 ? 90 GLN E CD 1 5 +ATOM 6596 O OE1 . GLN E 2 96 ? 47.676 -23.346 -67.345 1 100.467 ? 90 GLN E OE1 1 5 +ATOM 6597 N NE2 . GLN E 2 96 ? 45.655 -24.126 -67.922 1 104.789 ? 90 GLN E NE2 1 5 +ATOM 6598 N N . ASN E 2 97 ? 47.045 -21.071 -64.595 1 90.015 ? 91 ASN E N 1 5 +ATOM 6599 C CA . ASN E 2 97 ? 46.594 -19.924 -65.366 1 82.802 ? 91 ASN E CA 1 5 +ATOM 6600 C C . ASN E 2 97 ? 47.736 -19.485 -66.283 1 85.949 ? 91 ASN E C 1 5 +ATOM 6601 O O . ASN E 2 97 ? 47.899 -18.309 -66.561 1 93.016 ? 91 ASN E O 1 5 +ATOM 6602 C CB . ASN E 2 97 ? 46.032 -18.833 -64.462 1 82.291 ? 91 ASN E CB 1 5 +ATOM 6603 C CG . ASN E 2 97 ? 47.027 -18.322 -63.438 1 96.017 ? 91 ASN E CG 1 5 +ATOM 6604 O OD1 . ASN E 2 97 ? 48.072 -18.932 -63.172 1 116.011 ? 91 ASN E OD1 1 5 +ATOM 6605 N ND2 . ASN E 2 97 ? 46.713 -17.202 -62.811 1 103.918 ? 91 ASN E ND2 1 5 +ATOM 6606 N N . LEU E 2 98 ? 48.494 -20.454 -66.803 1 85.14 ? 92 LEU E N 1 5 +ATOM 6607 C CA . LEU E 2 98 ? 49.539 -20.191 -67.77 1 86.097 ? 92 LEU E CA 1 5 +ATOM 6608 C C . LEU E 2 98 ? 48.944 -19.999 -69.162 1 83.999 ? 92 LEU E C 1 5 +ATOM 6609 O O . LEU E 2 98 ? 49.316 -19.067 -69.865 1 87.648 ? 92 LEU E O 1 5 +ATOM 6610 C CB . LEU E 2 98 ? 50.498 -21.373 -67.759 1 90.758 ? 92 LEU E CB 1 5 +ATOM 6611 C CG . LEU E 2 98 ? 51.727 -21.252 -68.666 1 98.336 ? 92 LEU E CG 1 5 +ATOM 6612 C CD1 . LEU E 2 98 ? 52.945 -20.643 -67.947 1 100.372 ? 92 LEU E CD1 1 5 +ATOM 6613 C CD2 . LEU E 2 98 ? 52.051 -22.623 -69.232 1 104.866 ? 92 LEU E CD2 1 5 +ATOM 6614 N N . ARG E 2 99 ? 48.071 -20.917 -69.584 1 82.891 ? 93 ARG E N 1 5 +ATOM 6615 C CA . ARG E 2 99 ? 47.525 -20.875 -70.937 1 85.448 ? 93 ARG E CA 1 5 +ATOM 6616 C C . ARG E 2 99 ? 46.08 -21.375 -70.896 1 80.758 ? 93 ARG E C 1 5 +ATOM 6617 O O . ARG E 2 99 ? 45.7 -22.099 -69.983 1 71.144 ? 93 ARG E O 1 5 +ATOM 6618 C CB . ARG E 2 99 ? 48.402 -21.584 -71.991 1 90.076 ? 93 ARG E CB 1 5 +ATOM 6619 C CG . ARG E 2 99 ? 48.115 -23.04 -72.341 1 97.331 ? 93 ARG E CG 1 5 +ATOM 6620 C CD . ARG E 2 99 ? 48.441 -23.373 -73.799 1 108.918 ? 93 ARG E CD 1 5 +ATOM 6621 N NE . ARG E 2 99 ? 49.816 -23.853 -73.992 1 127.333 ? 93 ARG E NE 1 5 +ATOM 6622 C CZ . ARG E 2 99 ? 50.237 -25.083 -73.702 1 143.728 ? 93 ARG E CZ 1 5 +ATOM 6623 N NH1 . ARG E 2 99 ? 49.35 -26.028 -73.457 1 150.769 ? 93 ARG E NH1 1 5 +ATOM 6624 N NH2 . ARG E 2 99 ? 51.528 -25.378 -73.677 1 146.514 ? 93 ARG E NH2 1 5 +ATOM 6625 N N . PRO E 2 100 ? 45.21 -20.985 -71.858 1 84.849 ? 94 PRO E N 1 5 +ATOM 6626 C CA . PRO E 2 100 ? 43.83 -21.464 -71.86 1 86.003 ? 94 PRO E CA 1 5 +ATOM 6627 C C . PRO E 2 100 ? 43.77 -22.869 -72.438 1 80.653 ? 94 PRO E C 1 5 +ATOM 6628 O O . PRO E 2 100 ? 44.555 -23.179 -73.32 1 81.661 ? 94 PRO E O 1 5 +ATOM 6629 C CB . PRO E 2 100 ? 43.082 -20.428 -72.721 1 92.252 ? 94 PRO E CB 1 5 +ATOM 6630 C CG . PRO E 2 100 ? 44.138 -19.949 -73.694 1 95.367 ? 94 PRO E CG 1 5 +ATOM 6631 C CD . PRO E 2 100 ? 45.459 -20.005 -72.933 1 93.653 ? 94 PRO E CD 1 5 +ATOM 6632 N N . PRO E 2 101 ? 42.821 -23.731 -72.008 1 82.743 ? 95 PRO E N 1 5 +ATOM 6633 C CA . PRO E 2 101 ? 41.792 -23.37 -71.025 1 88.68 ? 95 PRO E CA 1 5 +ATOM 6634 C C . PRO E 2 101 ? 42.304 -23.455 -69.594 1 85.148 ? 95 PRO E C 1 5 +ATOM 6635 O O . PRO E 2 101 ? 43.09 -24.337 -69.295 1 102.937 ? 95 PRO E O 1 5 +ATOM 6636 C CB . PRO E 2 101 ? 40.688 -24.406 -71.297 1 92.179 ? 95 PRO E CB 1 5 +ATOM 6637 C CG . PRO E 2 101 ? 41.435 -25.634 -71.794 1 92.789 ? 95 PRO E CG 1 5 +ATOM 6638 C CD . PRO E 2 101 ? 42.648 -25.096 -72.516 1 87.552 ? 95 PRO E CD 1 5 +ATOM 6639 N N . GLU E 2 102 ? 41.904 -22.527 -68.728 1 79.014 ? 96 GLU E N 1 5 +ATOM 6640 C CA . GLU E 2 102 ? 42.389 -22.554 -67.359 1 84.067 ? 96 GLU E CA 1 5 +ATOM 6641 C C . GLU E 2 102 ? 41.798 -23.805 -66.717 1 94.138 ? 96 GLU E C 1 5 +ATOM 6642 O O . GLU E 2 102 ? 40.62 -24.106 -66.921 1 110.934 ? 96 GLU E O 1 5 +ATOM 6643 C CB . GLU E 2 102 ? 42.007 -21.265 -66.619 1 87.006 ? 96 GLU E CB 1 5 +ATOM 6644 C CG . GLU E 2 102 ? 42.804 -20.018 -67.008 1 83.56 ? 96 GLU E CG 1 5 +ATOM 6645 C CD . GLU E 2 102 ? 42.288 -18.698 -66.46 1 76.218 ? 96 GLU E CD 1 5 +ATOM 6646 O OE1 . GLU E 2 102 ? 41.596 -18.082 -67.286 1 78.73 ? 96 GLU E OE1 1 5 +ATOM 6647 O OE2 . GLU E 2 102 ? 42.58 -18.246 -65.321 1 73.377 ? 96 GLU E OE2 1 5 +ATOM 6648 N N . THR E 2 103 ? 42.599 -24.555 -65.952 1 97.777 ? 97 THR E N 1 5 +ATOM 6649 C CA . THR E 2 103 ? 42.107 -25.818 -65.412 1 98.817 ? 97 THR E CA 1 5 +ATOM 6650 C C . THR E 2 103 ? 42.38 -25.918 -63.915 1 94.969 ? 97 THR E C 1 5 +ATOM 6651 O O . THR E 2 103 ? 43.39 -25.407 -63.428 1 97.599 ? 97 THR E O 1 5 +ATOM 6652 C CB . THR E 2 103 ? 42.738 -26.981 -66.18 1 104.175 ? 97 THR E CB 1 5 +ATOM 6653 O OG1 . THR E 2 103 ? 44.145 -26.777 -66.333 1 102.841 ? 97 THR E OG1 1 5 +ATOM 6654 C CG2 . THR E 2 103 ? 42.108 -27.141 -67.553 1 104.835 ? 97 THR E CG2 1 5 +ATOM 6655 N N . PHE E 2 104 ? 41.486 -26.623 -63.208 1 90.43 ? 98 PHE E N 1 5 +ATOM 6656 C CA . PHE E 2 104 ? 41.596 -26.782 -61.765 1 92.856 ? 98 PHE E CA 1 5 +ATOM 6657 C C . PHE E 2 104 ? 41.922 -28.219 -61.371 1 98.577 ? 98 PHE E C 1 5 +ATOM 6658 O O . PHE E 2 104 ? 41.627 -29.145 -62.115 1 123.398 ? 98 PHE E O 1 5 +ATOM 6659 C CB . PHE E 2 104 ? 40.261 -26.446 -61.103 1 92.137 ? 98 PHE E CB 1 5 +ATOM 6660 C CG . PHE E 2 104 ? 39.963 -24.964 -61.048 1 83.718 ? 98 PHE E CG 1 5 +ATOM 6661 C CD1 . PHE E 2 104 ? 40.461 -24.192 -60.011 1 73.267 ? 98 PHE E CD1 1 5 +ATOM 6662 C CD2 . PHE E 2 104 ? 39.183 -24.38 -62.037 1 85.878 ? 98 PHE E CD2 1 5 +ATOM 6663 C CE1 . PHE E 2 104 ? 40.2 -22.844 -59.982 1 80.265 ? 98 PHE E CE1 1 5 +ATOM 6664 C CE2 . PHE E 2 104 ? 38.927 -23.03 -62.007 1 89.946 ? 98 PHE E CE2 1 5 +ATOM 6665 C CZ . PHE E 2 104 ? 39.437 -22.264 -60.98 1 89.942 ? 98 PHE E CZ 1 5 +ATOM 6666 N N . GLY E 2 105 ? 42.491 -28.397 -60.172 1 99.084 ? 99 GLY E N 1 5 +ATOM 6667 C CA . GLY E 2 105 ? 42.589 -29.705 -59.543 1 100.569 ? 99 GLY E CA 1 5 +ATOM 6668 C C . GLY E 2 105 ? 41.236 -30.161 -58.995 1 98.912 ? 99 GLY E C 1 5 +ATOM 6669 O O . GLY E 2 105 ? 40.285 -29.387 -58.899 1 93.96 ? 99 GLY E O 1 5 +ATOM 6670 N N . GLN E 2 106 ? 41.156 -31.448 -58.647 1 97.614 ? 100 GLN E N 1 5 +ATOM 6671 C CA . GLN E 2 106 ? 39.891 -32.042 -58.248 1 96.225 ? 100 GLN E CA 1 5 +ATOM 6672 C C . GLN E 2 106 ? 39.474 -31.538 -56.863 1 95.407 ? 100 GLN E C 1 5 +ATOM 6673 O O . GLN E 2 106 ? 38.296 -31.599 -56.521 1 95.244 ? 100 GLN E O 1 5 +ATOM 6674 C CB . GLN E 2 106 ? 39.968 -33.564 -58.332 1 87.469 ? 100 GLN E CB 1 5 +ATOM 6675 C CG . GLN E 2 106 ? 40.674 -34.23 -57.155 1 88.547 ? 100 GLN E CG 1 5 +ATOM 6676 C CD . GLN E 2 106 ? 42.176 -34.333 -57.323 1 87.771 ? 100 GLN E CD 1 5 +ATOM 6677 O OE1 . GLN E 2 106 ? 42.761 -33.795 -58.276 1 81.555 ? 100 GLN E OE1 1 5 +ATOM 6678 N NE2 . GLN E 2 106 ? 42.792 -35.017 -56.365 1 85.573 ? 100 GLN E NE2 1 5 +ATOM 6679 N N . GLY E 2 107 ? 40.443 -31.052 -56.075 1 94.8 ? 101 GLY E N 1 5 +ATOM 6680 C CA . GLY E 2 107 ? 40.179 -30.557 -54.731 1 98.842 ? 101 GLY E CA 1 5 +ATOM 6681 C C . GLY E 2 107 ? 40.627 -31.542 -53.648 1 92.581 ? 101 GLY E C 1 5 +ATOM 6682 O O . GLY E 2 107 ? 40.573 -32.75 -53.831 1 86.201 ? 101 GLY E O 1 5 +ATOM 6683 N N . THR E 2 108 ? 41.051 -30.998 -52.504 1 91.748 ? 102 THR E N 1 5 +ATOM 6684 C CA . THR E 2 108 ? 41.505 -31.785 -51.367 1 94.792 ? 102 THR E CA 1 5 +ATOM 6685 C C . THR E 2 108 ? 40.724 -31.314 -50.141 1 98.362 ? 102 THR E C 1 5 +ATOM 6686 O O . THR E 2 108 ? 40.814 -30.129 -49.818 1 109.545 ? 102 THR E O 1 5 +ATOM 6687 C CB . THR E 2 108 ? 43.018 -31.597 -51.176 1 90.486 ? 102 THR E CB 1 5 +ATOM 6688 O OG1 . THR E 2 108 ? 43.706 -32.304 -52.212 1 82.8 ? 102 THR E OG1 1 5 +ATOM 6689 C CG2 . THR E 2 108 ? 43.51 -32.065 -49.813 1 87.521 ? 102 THR E CG2 1 5 +ATOM 6690 N N . LYS E 2 109 ? 40.007 -32.229 -49.455 1 95.394 ? 103 LYS E N 1 5 +ATOM 6691 C CA . LYS E 2 109 ? 39.229 -31.859 -48.274 1 91.882 ? 103 LYS E CA 1 5 +ATOM 6692 C C . LYS E 2 109 ? 40.153 -31.949 -47.061 1 90.137 ? 103 LYS E C 1 5 +ATOM 6693 O O . LYS E 2 109 ? 40.702 -33.012 -46.798 1 90.281 ? 103 LYS E O 1 5 +ATOM 6694 C CB . LYS E 2 109 ? 37.962 -32.688 -48.004 1 92.019 ? 103 LYS E CB 1 5 +ATOM 6695 C CG . LYS E 2 109 ? 36.963 -32.788 -49.156 1 106.797 ? 103 LYS E CG 1 5 +ATOM 6696 C CD . LYS E 2 109 ? 35.878 -33.861 -49.018 1 118.712 ? 103 LYS E CD 1 5 +ATOM 6697 C CE . LYS E 2 109 ? 36.283 -35.33 -49.177 1 118.653 ? 103 LYS E CE 1 5 +ATOM 6698 N NZ . LYS E 2 109 ? 36.643 -35.745 -50.541 1 112.294 ? 103 LYS E NZ 1 5 +ATOM 6699 N N . VAL E 2 110 ? 40.308 -30.831 -46.331 1 93.947 ? 104 VAL E N 1 5 +ATOM 6700 C CA . VAL E 2 110 ? 41.084 -30.805 -45.102 1 82.878 ? 104 VAL E CA 1 5 +ATOM 6701 C C . VAL E 2 110 ? 40.105 -30.787 -43.932 1 83.618 ? 104 VAL E C 1 5 +ATOM 6702 O O . VAL E 2 110 ? 39.158 -29.999 -43.96 1 87.645 ? 104 VAL E O 1 5 +ATOM 6703 C CB . VAL E 2 110 ? 42.081 -29.63 -45.042 1 75.832 ? 104 VAL E CB 1 5 +ATOM 6704 C CG1 . VAL E 2 110 ? 42.819 -29.588 -43.71 1 71.008 ? 104 VAL E CG1 1 5 +ATOM 6705 C CG2 . VAL E 2 110 ? 43.088 -29.701 -46.186 1 78.566 ? 104 VAL E CG2 1 5 +ATOM 6706 N N . GLU E 2 111 ? 40.344 -31.671 -42.937 1 86.63 ? 105 GLU E N 1 5 +ATOM 6707 C CA . GLU E 2 111 ? 39.556 -31.766 -41.709 1 86.487 ? 105 GLU E CA 1 5 +ATOM 6708 C C . GLU E 2 111 ? 40.464 -31.664 -40.47 1 85.536 ? 105 GLU E C 1 5 +ATOM 6709 O O . GLU E 2 111 ? 41.69 -31.903 -40.505 1 85.029 ? 105 GLU E O 1 5 +ATOM 6710 C CB . GLU E 2 111 ? 38.751 -33.068 -41.672 1 97.163 ? 105 GLU E CB 1 5 +ATOM 6711 C CG . GLU E 2 111 ? 37.808 -33.22 -42.86 1 115.495 ? 105 GLU E CG 1 5 +ATOM 6712 C CD . GLU E 2 111 ? 37.934 -34.525 -43.646 1 142.998 ? 105 GLU E CD 1 5 +ATOM 6713 O OE1 . GLU E 2 111 ? 36.877 -34.981 -44.156 1 151.266 ? 105 GLU E OE1 1 5 +ATOM 6714 O OE2 . GLU E 2 111 ? 39.076 -35.062 -43.78 1 133.624 ? 105 GLU E OE2 1 5 +ATOM 6715 N N . ILE E 2 112 ? 39.835 -31.288 -39.349 1 77.735 ? 106 ILE E N 1 5 +ATOM 6716 C CA . ILE E 2 112 ? 40.485 -31.375 -38.049 1 89.885 ? 106 ILE E CA 1 5 +ATOM 6717 C C . ILE E 2 112 ? 40.429 -32.822 -37.535 1 80.548 ? 106 ILE E C 1 5 +ATOM 6718 O O . ILE E 2 112 ? 39.363 -33.427 -37.522 1 86.943 ? 106 ILE E O 1 5 +ATOM 6719 C CB . ILE E 2 112 ? 39.834 -30.356 -37.089 1 93.086 ? 106 ILE E CB 1 5 +ATOM 6720 C CG1 . ILE E 2 112 ? 40.152 -28.934 -37.525 1 94.723 ? 106 ILE E CG1 1 5 +ATOM 6721 C CG2 . ILE E 2 112 ? 40.228 -30.595 -35.628 1 97.512 ? 106 ILE E CG2 1 5 +ATOM 6722 C CD1 . ILE E 2 112 ? 41.635 -28.575 -37.442 1 103.367 ? 106 ILE E CD1 1 5 +ATOM 6723 N N . LYS E 2 113 ? 41.579 -33.365 -37.107 1 75.185 ? 107 LYS E N 1 5 +ATOM 6724 C CA . LYS E 2 113 ? 41.627 -34.61 -36.363 1 85.863 ? 107 LYS E CA 1 5 +ATOM 6725 C C . LYS E 2 113 ? 41.45 -34.304 -34.876 1 86.869 ? 107 LYS E C 1 5 +ATOM 6726 O O . LYS E 2 113 ? 42.198 -33.484 -34.337 1 89.463 ? 107 LYS E O 1 5 +ATOM 6727 C CB . LYS E 2 113 ? 42.991 -35.255 -36.629 1 97.066 ? 107 LYS E CB 1 5 +ATOM 6728 C CG . LYS E 2 113 ? 43.168 -36.697 -36.16 1 102.211 ? 107 LYS E CG 1 5 +ATOM 6729 C CD . LYS E 2 113 ? 44.326 -37.398 -36.874 1 111.022 ? 107 LYS E CD 1 5 +ATOM 6730 C CE . LYS E 2 113 ? 44.315 -38.882 -36.646 1 128.614 ? 107 LYS E CE 1 5 +ATOM 6731 N NZ . LYS E 2 113 ? 44.817 -39.681 -37.774 1 134.846 ? 107 LYS E NZ 1 5 +ATOM 6732 N N . ARG E 2 114 ? 40.468 -34.948 -34.22 1 75.343 ? 108 ARG E N 1 5 +ATOM 6733 C CA . ARG E 2 114 ? 40.241 -34.704 -32.807 1 72.734 ? 108 ARG E CA 1 5 +ATOM 6734 C C . ARG E 2 114 ? 39.981 -36 -32.055 1 76.388 ? 108 ARG E C 1 5 +ATOM 6735 O O . ARG E 2 114 ? 39.991 -37.069 -32.648 1 91.852 ? 108 ARG E O 1 5 +ATOM 6736 C CB . ARG E 2 114 ? 39.075 -33.731 -32.64 1 70.717 ? 108 ARG E CB 1 5 +ATOM 6737 C CG . ARG E 2 114 ? 37.755 -34.157 -33.257 1 69.463 ? 108 ARG E CG 1 5 +ATOM 6738 C CD . ARG E 2 114 ? 36.581 -33.589 -32.468 1 72.339 ? 108 ARG E CD 1 5 +ATOM 6739 N NE . ARG E 2 114 ? 36.402 -34.289 -31.199 1 71.238 ? 108 ARG E NE 1 5 +ATOM 6740 C CZ . ARG E 2 114 ? 35.676 -33.884 -30.162 1 76.974 ? 108 ARG E CZ 1 5 +ATOM 6741 N NH1 . ARG E 2 114 ? 35.008 -32.754 -30.161 1 67.179 ? 108 ARG E NH1 1 5 +ATOM 6742 N NH2 . ARG E 2 114 ? 35.589 -34.648 -29.093 1 101.119 ? 108 ARG E NH2 1 5 +ATOM 6743 N N . THR E 2 115 ? 39.743 -35.914 -30.739 1 78.057 ? 109 THR E N 1 5 +ATOM 6744 C CA . THR E 2 115 ? 39.405 -37.11 -29.978 1 79.363 ? 109 THR E CA 1 5 +ATOM 6745 C C . THR E 2 115 ? 38.043 -37.654 -30.399 1 72.625 ? 109 THR E C 1 5 +ATOM 6746 O O . THR E 2 115 ? 37.196 -36.951 -30.915 1 71.361 ? 109 THR E O 1 5 +ATOM 6747 C CB . THR E 2 115 ? 39.474 -36.89 -28.468 1 81.542 ? 109 THR E CB 1 5 +ATOM 6748 O OG1 . THR E 2 115 ? 38.889 -35.612 -28.235 1 75.819 ? 109 THR E OG1 1 5 +ATOM 6749 C CG2 . THR E 2 115 ? 40.894 -37.08 -27.951 1 83.701 ? 109 THR E CG2 1 5 +ATOM 6750 N N . VAL E 2 116 ? 37.844 -38.939 -30.148 1 75.537 ? 110 VAL E N 1 5 +ATOM 6751 C CA . VAL E 2 116 ? 36.609 -39.596 -30.514 1 78.589 ? 110 VAL E CA 1 5 +ATOM 6752 C C . VAL E 2 116 ? 35.457 -39.076 -29.655 1 76.494 ? 110 VAL E C 1 5 +ATOM 6753 O O . VAL E 2 116 ? 35.573 -38.979 -28.441 1 75.669 ? 110 VAL E O 1 5 +ATOM 6754 C CB . VAL E 2 116 ? 36.797 -41.117 -30.362 1 79.964 ? 110 VAL E CB 1 5 +ATOM 6755 C CG1 . VAL E 2 116 ? 35.516 -41.889 -30.664 1 89.43 ? 110 VAL E CG1 1 5 +ATOM 6756 C CG2 . VAL E 2 116 ? 37.943 -41.637 -31.221 1 78.044 ? 110 VAL E CG2 1 5 +ATOM 6757 N N . ALA E 2 117 ? 34.339 -38.748 -30.311 1 78.852 ? 111 ALA E N 1 5 +ATOM 6758 C CA . ALA E 2 117 ? 33.093 -38.434 -29.629 1 81.685 ? 111 ALA E CA 1 5 +ATOM 6759 C C . ALA E 2 117 ? 31.989 -39.375 -30.095 1 77.398 ? 111 ALA E C 1 5 +ATOM 6760 O O . ALA E 2 117 ? 31.734 -39.502 -31.293 1 68.096 ? 111 ALA E O 1 5 +ATOM 6761 C CB . ALA E 2 117 ? 32.695 -37.012 -29.91 1 84.786 ? 111 ALA E CB 1 5 +ATOM 6762 N N . ALA E 2 118 ? 31.3 -39.991 -29.131 1 77.021 ? 112 ALA E N 1 5 +ATOM 6763 C CA . ALA E 2 118 ? 30.153 -40.827 -29.434 1 76.244 ? 112 ALA E CA 1 5 +ATOM 6764 C C . ALA E 2 118 ? 28.935 -39.957 -29.698 1 72.209 ? 112 ALA E C 1 5 +ATOM 6765 O O . ALA E 2 118 ? 28.728 -38.938 -29.053 1 93.769 ? 112 ALA E O 1 5 +ATOM 6766 C CB . ALA E 2 118 ? 29.882 -41.772 -28.292 1 80.847 ? 112 ALA E CB 1 5 +ATOM 6767 N N . PRO E 2 119 ? 28.08 -40.327 -30.66 1 64.003 ? 113 PRO E N 1 5 +ATOM 6768 C CA . PRO E 2 119 ? 26.913 -39.502 -30.96 1 67.588 ? 113 PRO E CA 1 5 +ATOM 6769 C C . PRO E 2 119 ? 25.782 -39.631 -29.948 1 75.474 ? 113 PRO E C 1 5 +ATOM 6770 O O . PRO E 2 119 ? 25.705 -40.603 -29.208 1 77.358 ? 113 PRO E O 1 5 +ATOM 6771 C CB . PRO E 2 119 ? 26.488 -40.063 -32.297 1 75.536 ? 113 PRO E CB 1 5 +ATOM 6772 C CG . PRO E 2 119 ? 26.876 -41.553 -32.196 1 74.125 ? 113 PRO E CG 1 5 +ATOM 6773 C CD . PRO E 2 119 ? 28.222 -41.521 -31.507 1 64.257 ? 113 PRO E CD 1 5 +ATOM 6774 N N . SER E 2 120 ? 24.916 -38.62 -29.913 1 81.981 ? 114 SER E N 1 5 +ATOM 6775 C CA . SER E 2 120 ? 23.638 -38.729 -29.242 1 80.734 ? 114 SER E CA 1 5 +ATOM 6776 C C . SER E 2 120 ? 22.633 -39.178 -30.274 1 82.752 ? 114 SER E C 1 5 +ATOM 6777 O O . SER E 2 120 ? 22.37 -38.438 -31.21 1 101.605 ? 114 SER E O 1 5 +ATOM 6778 C CB . SER E 2 120 ? 23.209 -37.427 -28.659 1 83.202 ? 114 SER E CB 1 5 +ATOM 6779 O OG . SER E 2 120 ? 23.923 -37.194 -27.464 1 91.011 ? 114 SER E OG 1 5 +ATOM 6780 N N . VAL E 2 121 ? 22.047 -40.352 -30.091 1 76.574 ? 115 VAL E N 1 5 +ATOM 6781 C CA . VAL E 2 121 ? 21.026 -40.774 -31.033 1 80.529 ? 115 VAL E CA 1 5 +ATOM 6782 C C . VAL E 2 121 ? 19.639 -40.361 -30.526 1 74.134 ? 115 VAL E C 1 5 +ATOM 6783 O O . VAL E 2 121 ? 19.351 -40.441 -29.333 1 64.492 ? 115 VAL E O 1 5 +ATOM 6784 C CB . VAL E 2 121 ? 21.135 -42.278 -31.347 1 85.998 ? 115 VAL E CB 1 5 +ATOM 6785 C CG1 . VAL E 2 121 ? 20.222 -42.68 -32.496 1 95.9 ? 115 VAL E CG1 1 5 +ATOM 6786 C CG2 . VAL E 2 121 ? 22.575 -42.643 -31.695 1 81.103 ? 115 VAL E CG2 1 5 +ATOM 6787 N N . PHE E 2 122 ? 18.814 -39.879 -31.477 1 75.712 ? 116 PHE E N 1 5 +ATOM 6788 C CA . PHE E 2 122 ? 17.419 -39.505 -31.285 1 73.571 ? 116 PHE E CA 1 5 +ATOM 6789 C C . PHE E 2 122 ? 16.604 -40.07 -32.444 1 75.039 ? 116 PHE E C 1 5 +ATOM 6790 O O . PHE E 2 122 ? 17.074 -40.128 -33.577 1 76.133 ? 116 PHE E O 1 5 +ATOM 6791 C CB . PHE E 2 122 ? 17.232 -37.989 -31.284 1 77.437 ? 116 PHE E CB 1 5 +ATOM 6792 C CG . PHE E 2 122 ? 18.178 -37.242 -30.353 1 81.44 ? 116 PHE E CG 1 5 +ATOM 6793 C CD1 . PHE E 2 122 ? 17.852 -37.069 -29.024 1 82.835 ? 116 PHE E CD1 1 5 +ATOM 6794 C CD2 . PHE E 2 122 ? 19.386 -36.712 -30.799 1 83.848 ? 116 PHE E CD2 1 5 +ATOM 6795 C CE1 . PHE E 2 122 ? 18.705 -36.386 -28.171 1 87.462 ? 116 PHE E CE1 1 5 +ATOM 6796 C CE2 . PHE E 2 122 ? 20.235 -36.039 -29.942 1 80.151 ? 116 PHE E CE2 1 5 +ATOM 6797 C CZ . PHE E 2 122 ? 19.893 -35.877 -28.629 1 83.126 ? 116 PHE E CZ 1 5 +ATOM 6798 N N . ILE E 2 123 ? 15.374 -40.512 -32.164 1 75.849 ? 117 ILE E N 1 5 +ATOM 6799 C CA . ILE E 2 123 ? 14.529 -41.047 -33.219 1 73.598 ? 117 ILE E CA 1 5 +ATOM 6800 C C . ILE E 2 123 ? 13.204 -40.313 -33.189 1 62.704 ? 117 ILE E C 1 5 +ATOM 6801 O O . ILE E 2 123 ? 12.649 -40.08 -32.128 1 73.322 ? 117 ILE E O 1 5 +ATOM 6802 C CB . ILE E 2 123 ? 14.359 -42.573 -33.112 1 91.851 ? 117 ILE E CB 1 5 +ATOM 6803 C CG1 . ILE E 2 123 ? 13.541 -43.14 -34.279 1 103.058 ? 117 ILE E CG1 1 5 +ATOM 6804 C CG2 . ILE E 2 123 ? 13.763 -43.001 -31.768 1 94.437 ? 117 ILE E CG2 1 5 +ATOM 6805 C CD1 . ILE E 2 123 ? 13.48 -44.663 -34.3 1 104.025 ? 117 ILE E CD1 1 5 +ATOM 6806 N N . PHE E 2 124 ? 12.73 -39.92 -34.369 1 61.582 ? 118 PHE E N 1 5 +ATOM 6807 C CA . PHE E 2 124 ? 11.473 -39.2 -34.492 1 68.004 ? 118 PHE E CA 1 5 +ATOM 6808 C C . PHE E 2 124 ? 10.477 -40.04 -35.296 1 70.608 ? 118 PHE E C 1 5 +ATOM 6809 O O . PHE E 2 124 ? 10.714 -40.397 -36.457 1 71.313 ? 118 PHE E O 1 5 +ATOM 6810 C CB . PHE E 2 124 ? 11.652 -37.837 -35.165 1 77.676 ? 118 PHE E CB 1 5 +ATOM 6811 C CG . PHE E 2 124 ? 12.628 -36.889 -34.483 1 87.055 ? 118 PHE E CG 1 5 +ATOM 6812 C CD1 . PHE E 2 124 ? 12.203 -36.053 -33.456 1 93.504 ? 118 PHE E CD1 1 5 +ATOM 6813 C CD2 . PHE E 2 124 ? 13.963 -36.827 -34.889 1 95.235 ? 118 PHE E CD2 1 5 +ATOM 6814 C CE1 . PHE E 2 124 ? 13.092 -35.18 -32.856 1 99.791 ? 118 PHE E CE1 1 5 +ATOM 6815 C CE2 . PHE E 2 124 ? 14.86 -35.967 -34.276 1 92.998 ? 118 PHE E CE2 1 5 +ATOM 6816 C CZ . PHE E 2 124 ? 14.42 -35.148 -33.26 1 102.019 ? 118 PHE E CZ 1 5 +ATOM 6817 N N . PRO E 2 125 ? 9.307 -40.366 -34.706 1 68.242 ? 119 PRO E N 1 5 +ATOM 6818 C CA . PRO E 2 125 ? 8.235 -41.06 -35.425 1 71.137 ? 119 PRO E CA 1 5 +ATOM 6819 C C . PRO E 2 125 ? 7.538 -40.125 -36.403 1 75.551 ? 119 PRO E C 1 5 +ATOM 6820 O O . PRO E 2 125 ? 7.609 -38.919 -36.245 1 80.333 ? 119 PRO E O 1 5 +ATOM 6821 C CB . PRO E 2 125 ? 7.288 -41.491 -34.328 1 73.21 ? 119 PRO E CB 1 5 +ATOM 6822 C CG . PRO E 2 125 ? 8.06 -41.258 -33.045 1 78.035 ? 119 PRO E CG 1 5 +ATOM 6823 C CD . PRO E 2 125 ? 8.957 -40.073 -33.315 1 71.969 ? 119 PRO E CD 1 5 +ATOM 6824 N N . PRO E 2 126 ? 6.868 -40.63 -37.456 1 80.818 ? 120 PRO E N 1 5 +ATOM 6825 C CA . PRO E 2 126 ? 6.2 -39.762 -38.427 1 84.505 ? 120 PRO E CA 1 5 +ATOM 6826 C C . PRO E 2 126 ? 5.106 -38.923 -37.787 1 82.809 ? 120 PRO E C 1 5 +ATOM 6827 O O . PRO E 2 126 ? 4.346 -39.415 -36.97 1 88.023 ? 120 PRO E O 1 5 +ATOM 6828 C CB . PRO E 2 126 ? 5.61 -40.684 -39.482 1 81.449 ? 120 PRO E CB 1 5 +ATOM 6829 C CG . PRO E 2 126 ? 5.553 -42.016 -38.785 1 88.249 ? 120 PRO E CG 1 5 +ATOM 6830 C CD . PRO E 2 126 ? 6.711 -42.051 -37.777 1 85.276 ? 120 PRO E CD 1 5 +ATOM 6831 N N . SER E 2 127 ? 5.041 -37.663 -38.2 1 79.18 ? 121 SER E N 1 5 +ATOM 6832 C CA . SER E 2 127 ? 4.045 -36.721 -37.732 1 89.437 ? 121 SER E CA 1 5 +ATOM 6833 C C . SER E 2 127 ? 2.631 -37.146 -38.141 1 100.969 ? 121 SER E C 1 5 +ATOM 6834 O O . SER E 2 127 ? 2.468 -37.751 -39.203 1 102.546 ? 121 SER E O 1 5 +ATOM 6835 C CB . SER E 2 127 ? 4.372 -35.375 -38.308 1 93.444 ? 121 SER E CB 1 5 +ATOM 6836 O OG . SER E 2 127 ? 4.351 -35.445 -39.728 1 87.473 ? 121 SER E OG 1 5 +ATOM 6837 N N . ASP E 2 128 ? 1.62 -36.762 -37.332 1 102.325 ? 122 ASP E N 1 5 +ATOM 6838 C CA . ASP E 2 128 ? 0.228 -37.067 -37.634 1 109.031 ? 122 ASP E CA 1 5 +ATOM 6839 C C . ASP E 2 128 ? -0.199 -36.419 -38.951 1 104.839 ? 122 ASP E C 1 5 +ATOM 6840 O O . ASP E 2 128 ? -1.045 -36.947 -39.67 1 103.938 ? 122 ASP E O 1 5 +ATOM 6841 C CB . ASP E 2 128 ? -0.703 -36.76 -36.465 1 111.32 ? 122 ASP E CB 1 5 +ATOM 6842 C CG . ASP E 2 128 ? -0.766 -37.884 -35.436 1 116.459 ? 122 ASP E CG 1 5 +ATOM 6843 O OD1 . ASP E 2 128 ? 0.25 -38.614 -35.314 1 116.644 ? 122 ASP E OD1 1 5 +ATOM 6844 O OD2 . ASP E 2 128 ? -1.854 -38.094 -34.841 1 112.392 ? 122 ASP E OD2 1 5 +ATOM 6845 N N . GLU E 2 129 ? 0.433 -35.293 -39.278 1 103.328 ? 123 GLU E N 1 5 +ATOM 6846 C CA . GLU E 2 129 ? 0.097 -34.483 -40.445 1 102.852 ? 123 GLU E CA 1 5 +ATOM 6847 C C . GLU E 2 129 ? 0.58 -35.179 -41.709 1 95.44 ? 123 GLU E C 1 5 +ATOM 6848 O O . GLU E 2 129 ? -0.095 -35.17 -42.732 1 86.551 ? 123 GLU E O 1 5 +ATOM 6849 C CB . GLU E 2 129 ? 0.748 -33.109 -40.256 1 104.471 ? 123 GLU E CB 1 5 +ATOM 6850 C CG . GLU E 2 129 ? 0.373 -32.538 -38.886 1 117.674 ? 123 GLU E CG 1 5 +ATOM 6851 C CD . GLU E 2 129 ? 1.216 -31.457 -38.235 1 116.931 ? 123 GLU E CD 1 5 +ATOM 6852 O OE1 . GLU E 2 129 ? 1.151 -31.416 -36.977 1 116.099 ? 123 GLU E OE1 1 5 +ATOM 6853 O OE2 . GLU E 2 129 ? 1.889 -30.706 -38.975 1 112.43 ? 123 GLU E OE2 1 5 +ATOM 6854 N N . GLN E 2 130 ? 1.761 -35.79 -41.63 1 100.39 ? 124 GLN E N 1 5 +ATOM 6855 C CA . GLN E 2 130 ? 2.326 -36.477 -42.778 1 93.367 ? 124 GLN E CA 1 5 +ATOM 6856 C C . GLN E 2 130 ? 1.546 -37.752 -43.04 1 86.011 ? 124 GLN E C 1 5 +ATOM 6857 O O . GLN E 2 130 ? 1.399 -38.13 -44.184 1 87.285 ? 124 GLN E O 1 5 +ATOM 6858 C CB . GLN E 2 130 ? 3.796 -36.833 -42.571 1 92.677 ? 124 GLN E CB 1 5 +ATOM 6859 C CG . GLN E 2 130 ? 4.488 -37.318 -43.834 1 82.581 ? 124 GLN E CG 1 5 +ATOM 6860 C CD . GLN E 2 130 ? 5.814 -37.966 -43.55 1 74.91 ? 124 GLN E CD 1 5 +ATOM 6861 O OE1 . GLN E 2 130 ? 6.201 -38.151 -42.384 1 68.251 ? 124 GLN E OE1 1 5 +ATOM 6862 N NE2 . GLN E 2 130 ? 6.48 -38.347 -44.632 1 71.517 ? 124 GLN E NE2 1 5 +ATOM 6863 N N . LEU E 2 131 ? 1.083 -38.419 -41.982 1 89.251 ? 125 LEU E N 1 5 +ATOM 6864 C CA . LEU E 2 131 ? 0.272 -39.618 -42.128 1 95.423 ? 125 LEU E CA 1 5 +ATOM 6865 C C . LEU E 2 131 ? -1.067 -39.28 -42.785 1 99.588 ? 125 LEU E C 1 5 +ATOM 6866 O O . LEU E 2 131 ? -1.605 -40.092 -43.523 1 107.233 ? 125 LEU E O 1 5 +ATOM 6867 C CB . LEU E 2 131 ? 0.075 -40.286 -40.769 1 95.825 ? 125 LEU E CB 1 5 +ATOM 6868 C CG . LEU E 2 131 ? 1.353 -40.735 -40.051 1 88.821 ? 125 LEU E CG 1 5 +ATOM 6869 C CD1 . LEU E 2 131 ? 1.076 -41.04 -38.601 1 86.68 ? 125 LEU E CD1 1 5 +ATOM 6870 C CD2 . LEU E 2 131 ? 1.992 -41.926 -40.712 1 86.328 ? 125 LEU E CD2 1 5 +ATOM 6871 N N . LYS E 2 132 ? -1.583 -38.065 -42.566 1 106.345 ? 126 LYS E N 1 5 +ATOM 6872 C CA . LYS E 2 132 ? -2.776 -37.598 -43.259 1 107.964 ? 126 LYS E CA 1 5 +ATOM 6873 C C . LYS E 2 132 ? -2.532 -37.54 -44.765 1 104.976 ? 126 LYS E C 1 5 +ATOM 6874 O O . LYS E 2 132 ? -3.469 -37.751 -45.526 1 113.819 ? 126 LYS E O 1 5 +ATOM 6875 C CB . LYS E 2 132 ? -3.259 -36.251 -42.696 1 115.63 ? 126 LYS E CB 1 5 +ATOM 6876 C CG . LYS E 2 132 ? -4.049 -36.434 -41.413 1 129.432 ? 126 LYS E CG 1 5 +ATOM 6877 C CD . LYS E 2 132 ? -3.964 -35.411 -40.284 1 126.888 ? 126 LYS E CD 1 5 +ATOM 6878 C CE . LYS E 2 132 ? -4.691 -36.033 -39.114 1 126.336 ? 126 LYS E CE 1 5 +ATOM 6879 N NZ . LYS E 2 132 ? -4.446 -35.445 -37.795 1 130.518 ? 126 LYS E NZ 1 5 +ATOM 6880 N N . SER E 2 133 ? -1.285 -37.272 -45.189 1 106.668 ? 127 SER E N 1 5 +ATOM 6881 C CA . SER E 2 133 ? -0.923 -37.211 -46.6 1 99.939 ? 127 SER E CA 1 5 +ATOM 6882 C C . SER E 2 133 ? -0.513 -38.585 -47.154 1 96.514 ? 127 SER E C 1 5 +ATOM 6883 O O . SER E 2 133 ? -0.018 -38.655 -48.273 1 102.65 ? 127 SER E O 1 5 +ATOM 6884 C CB . SER E 2 133 ? 0.177 -36.179 -46.832 1 90.968 ? 127 SER E CB 1 5 +ATOM 6885 O OG . SER E 2 133 ? 1.451 -36.659 -46.409 1 89.71 ? 127 SER E OG 1 5 +ATOM 6886 N N . GLY E 2 134 ? -0.665 -39.666 -46.38 1 88.135 ? 128 GLY E N 1 5 +ATOM 6887 C CA . GLY E 2 134 ? -0.426 -41.006 -46.885 1 87.767 ? 128 GLY E CA 1 5 +ATOM 6888 C C . GLY E 2 134 ? 1.053 -41.382 -46.986 1 89.536 ? 128 GLY E C 1 5 +ATOM 6889 O O . GLY E 2 134 ? 1.399 -42.295 -47.736 1 94.434 ? 128 GLY E O 1 5 +ATOM 6890 N N . THR E 2 135 ? 1.932 -40.718 -46.219 1 94.492 ? 129 THR E N 1 5 +ATOM 6891 C CA . THR E 2 135 ? 3.338 -41.126 -46.133 1 93.154 ? 129 THR E CA 1 5 +ATOM 6892 C C . THR E 2 135 ? 3.798 -41.17 -44.672 1 89.892 ? 129 THR E C 1 5 +ATOM 6893 O O . THR E 2 135 ? 3.114 -40.697 -43.777 1 91.776 ? 129 THR E O 1 5 +ATOM 6894 C CB . THR E 2 135 ? 4.271 -40.276 -47 1 87.015 ? 129 THR E CB 1 5 +ATOM 6895 O OG1 . THR E 2 135 ? 3.776 -38.934 -47 1 103.934 ? 129 THR E OG1 1 5 +ATOM 6896 C CG2 . THR E 2 135 ? 4.343 -40.824 -48.416 1 84.433 ? 129 THR E CG2 1 5 +ATOM 6897 N N . ALA E 2 136 ? 4.964 -41.785 -44.44 1 86.072 ? 130 ALA E N 1 5 +ATOM 6898 C CA . ALA E 2 136 ? 5.544 -41.916 -43.111 1 78.954 ? 130 ALA E CA 1 5 +ATOM 6899 C C . ALA E 2 136 ? 7.058 -41.773 -43.213 1 80.696 ? 130 ALA E C 1 5 +ATOM 6900 O O . ALA E 2 136 ? 7.675 -42.393 -44.063 1 80.098 ? 130 ALA E O 1 5 +ATOM 6901 C CB . ALA E 2 136 ? 5.152 -43.238 -42.492 1 73.628 ? 130 ALA E CB 1 5 +ATOM 6902 N N . SER E 2 137 ? 7.637 -40.92 -42.361 1 81.293 ? 131 SER E N 1 5 +ATOM 6903 C CA . SER E 2 137 ? 9.077 -40.725 -42.337 1 83.688 ? 131 SER E CA 1 5 +ATOM 6904 C C . SER E 2 137 ? 9.601 -40.829 -40.902 1 85.892 ? 131 SER E C 1 5 +ATOM 6905 O O . SER E 2 137 ? 9.249 -40.051 -40.021 1 93.482 ? 131 SER E O 1 5 +ATOM 6906 C CB . SER E 2 137 ? 9.467 -39.426 -42.997 1 75.106 ? 131 SER E CB 1 5 +ATOM 6907 O OG . SER E 2 137 ? 9.188 -39.472 -44.383 1 67.957 ? 131 SER E OG 1 5 +ATOM 6908 N N . VAL E 2 138 ? 10.434 -41.835 -40.665 1 79.394 ? 132 VAL E N 1 5 +ATOM 6909 C CA . VAL E 2 138 ? 11.083 -41.95 -39.383 1 79.668 ? 132 VAL E CA 1 5 +ATOM 6910 C C . VAL E 2 138 ? 12.472 -41.345 -39.533 1 83.865 ? 132 VAL E C 1 5 +ATOM 6911 O O . VAL E 2 138 ? 13.176 -41.669 -40.488 1 71.591 ? 132 VAL E O 1 5 +ATOM 6912 C CB . VAL E 2 138 ? 11.126 -43.419 -38.961 1 80.942 ? 132 VAL E CB 1 5 +ATOM 6913 C CG1 . VAL E 2 138 ? 11.629 -43.541 -37.528 1 86.779 ? 132 VAL E CG1 1 5 +ATOM 6914 C CG2 . VAL E 2 138 ? 9.759 -44.068 -39.112 1 85.815 ? 132 VAL E CG2 1 5 +ATOM 6915 N N . VAL E 2 139 ? 12.854 -40.462 -38.601 1 84.059 ? 133 VAL E N 1 5 +ATOM 6916 C CA . VAL E 2 139 ? 14.129 -39.765 -38.723 1 82.267 ? 133 VAL E CA 1 5 +ATOM 6917 C C . VAL E 2 139 ? 15.036 -40.131 -37.554 1 72.725 ? 133 VAL E C 1 5 +ATOM 6918 O O . VAL E 2 139 ? 14.658 -39.986 -36.4 1 76.453 ? 133 VAL E O 1 5 +ATOM 6919 C CB . VAL E 2 139 ? 13.99 -38.234 -38.837 1 84.824 ? 133 VAL E CB 1 5 +ATOM 6920 C CG1 . VAL E 2 139 ? 15.334 -37.563 -39.09 1 83.855 ? 133 VAL E CG1 1 5 +ATOM 6921 C CG2 . VAL E 2 139 ? 13.023 -37.851 -39.941 1 88.415 ? 133 VAL E CG2 1 5 +ATOM 6922 N N . CYS E 2 140 ? 16.241 -40.595 -37.883 1 72.234 ? 134 CYS E N 1 5 +ATOM 6923 C CA . CYS E 2 140 ? 17.248 -40.961 -36.902 1 74.981 ? 134 CYS E CA 1 5 +ATOM 6924 C C . CYS E 2 140 ? 18.298 -39.867 -36.957 1 74.583 ? 134 CYS E C 1 5 +ATOM 6925 O O . CYS E 2 140 ? 18.826 -39.572 -38.025 1 75.454 ? 134 CYS E O 1 5 +ATOM 6926 C CB . CYS E 2 140 ? 17.853 -42.322 -37.241 1 78.754 ? 134 CYS E CB 1 5 +ATOM 6927 S SG . CYS E 2 140 ? 18.889 -43.053 -35.955 0.8 81.625 ? 134 CYS E SG 1 5 +ATOM 6928 N N . LEU E 2 141 ? 18.561 -39.256 -35.805 1 80.017 ? 135 LEU E N 1 5 +ATOM 6929 C CA . LEU E 2 141 ? 19.534 -38.183 -35.688 1 82.421 ? 135 LEU E CA 1 5 +ATOM 6930 C C . LEU E 2 141 ? 20.721 -38.663 -34.857 1 82.094 ? 135 LEU E C 1 5 +ATOM 6931 O O . LEU E 2 141 ? 20.531 -39.26 -33.811 1 89.44 ? 135 LEU E O 1 5 +ATOM 6932 C CB . LEU E 2 141 ? 18.818 -36.998 -35.034 1 87.927 ? 135 LEU E CB 1 5 +ATOM 6933 C CG . LEU E 2 141 ? 19.7 -35.813 -34.639 1 96.494 ? 135 LEU E CG 1 5 +ATOM 6934 C CD1 . LEU E 2 141 ? 20.287 -35.199 -35.891 1 106.497 ? 135 LEU E CD1 1 5 +ATOM 6935 C CD2 . LEU E 2 141 ? 18.904 -34.793 -33.837 1 92.797 ? 135 LEU E CD2 1 5 +ATOM 6936 N N . LEU E 2 142 ? 21.946 -38.401 -35.321 1 81.56 ? 136 LEU E N 1 5 +ATOM 6937 C CA . LEU E 2 142 ? 23.155 -38.613 -34.53 1 77.353 ? 136 LEU E CA 1 5 +ATOM 6938 C C . LEU E 2 142 ? 23.785 -37.249 -34.341 1 79.03 ? 136 LEU E C 1 5 +ATOM 6939 O O . LEU E 2 142 ? 23.916 -36.552 -35.333 1 87.91 ? 136 LEU E O 1 5 +ATOM 6940 C CB . LEU E 2 142 ? 24.16 -39.532 -35.219 1 70.677 ? 136 LEU E CB 1 5 +ATOM 6941 C CG . LEU E 2 142 ? 23.717 -40.98 -35.449 1 71.407 ? 136 LEU E CG 1 5 +ATOM 6942 C CD1 . LEU E 2 142 ? 22.541 -41.086 -36.416 1 82.703 ? 136 LEU E CD1 1 5 +ATOM 6943 C CD2 . LEU E 2 142 ? 24.891 -41.742 -35.986 1 67.358 ? 136 LEU E CD2 1 5 +ATOM 6944 N N . ASN E 2 143 ? 24.176 -36.876 -33.114 1 85.019 ? 137 ASN E N 1 5 +ATOM 6945 C CA . ASN E 2 143 ? 24.596 -35.504 -32.858 1 88.533 ? 137 ASN E CA 1 5 +ATOM 6946 C C . ASN E 2 143 ? 26.048 -35.432 -32.363 1 88.361 ? 137 ASN E C 1 5 +ATOM 6947 O O . ASN E 2 143 ? 26.435 -36.137 -31.44 1 83.916 ? 137 ASN E O 1 5 +ATOM 6948 C CB . ASN E 2 143 ? 23.64 -34.784 -31.91 1 92.873 ? 137 ASN E CB 1 5 +ATOM 6949 C CG . ASN E 2 143 ? 24.064 -33.345 -31.695 1 103.841 ? 137 ASN E CG 1 5 +ATOM 6950 O OD1 . ASN E 2 143 ? 23.919 -32.5 -32.587 1 104.685 ? 137 ASN E OD1 1 5 +ATOM 6951 N ND2 . ASN E 2 143 ? 24.666 -33.052 -30.551 1 106.073 ? 137 ASN E ND2 1 5 +ATOM 6952 N N . ASN E 2 144 ? 26.844 -34.558 -33 1 102.367 ? 138 ASN E N 1 5 +ATOM 6953 C CA . ASN E 2 144 ? 28.16 -34.131 -32.529 1 96.138 ? 138 ASN E CA 1 5 +ATOM 6954 C C . ASN E 2 144 ? 29.093 -35.324 -32.279 1 80.547 ? 138 ASN E C 1 5 +ATOM 6955 O O . ASN E 2 144 ? 29.687 -35.39 -31.218 1 93.678 ? 138 ASN E O 1 5 +ATOM 6956 C CB . ASN E 2 144 ? 28.006 -33.148 -31.358 1 92.753 ? 138 ASN E CB 1 5 +ATOM 6957 C CG . ASN E 2 144 ? 27.632 -31.752 -31.821 1 99.421 ? 138 ASN E CG 1 5 +ATOM 6958 O OD1 . ASN E 2 144 ? 26.454 -31.382 -31.838 1 106.19 ? 138 ASN E OD1 1 5 +ATOM 6959 N ND2 . ASN E 2 144 ? 28.609 -30.965 -32.252 1 96.705 ? 138 ASN E ND2 1 5 +ATOM 6960 N N . PHE E 2 145 ? 29.31 -36.206 -33.275 1 79.405 ? 139 PHE E N 1 5 +ATOM 6961 C CA . PHE E 2 145 ? 30.243 -37.335 -33.169 1 75.898 ? 139 PHE E CA 1 5 +ATOM 6962 C C . PHE E 2 145 ? 31.521 -37.134 -33.992 1 74.451 ? 139 PHE E C 1 5 +ATOM 6963 O O . PHE E 2 145 ? 31.514 -36.431 -34.986 1 77.724 ? 139 PHE E O 1 5 +ATOM 6964 C CB . PHE E 2 145 ? 29.578 -38.607 -33.689 1 75.574 ? 139 PHE E CB 1 5 +ATOM 6965 C CG . PHE E 2 145 ? 29.043 -38.569 -35.12 1 74.097 ? 139 PHE E CG 1 5 +ATOM 6966 C CD1 . PHE E 2 145 ? 27.793 -38.026 -35.415 1 70.204 ? 139 PHE E CD1 1 5 +ATOM 6967 C CD2 . PHE E 2 145 ? 29.759 -39.187 -36.143 1 72.66 ? 139 PHE E CD2 1 5 +ATOM 6968 C CE1 . PHE E 2 145 ? 27.314 -38.032 -36.715 1 74.548 ? 139 PHE E CE1 1 5 +ATOM 6969 C CE2 . PHE E 2 145 ? 29.256 -39.244 -37.434 1 68.805 ? 139 PHE E CE2 1 5 +ATOM 6970 C CZ . PHE E 2 145 ? 28.05 -38.636 -37.727 1 74.459 ? 139 PHE E CZ 1 5 +ATOM 6971 N N . TYR E 2 146 ? 32.626 -37.786 -33.596 1 71.056 ? 140 TYR E N 1 5 +ATOM 6972 C CA . TYR E 2 146 ? 33.853 -37.814 -34.383 1 71.688 ? 140 TYR E CA 1 5 +ATOM 6973 C C . TYR E 2 146 ? 34.474 -39.2 -34.183 1 79.194 ? 140 TYR E C 1 5 +ATOM 6974 O O . TYR E 2 146 ? 34.517 -39.691 -33.067 1 80.977 ? 140 TYR E O 1 5 +ATOM 6975 C CB . TYR E 2 146 ? 34.85 -36.723 -33.964 1 71.195 ? 140 TYR E CB 1 5 +ATOM 6976 C CG . TYR E 2 146 ? 36.026 -36.645 -34.925 1 79.621 ? 140 TYR E CG 1 5 +ATOM 6977 C CD1 . TYR E 2 146 ? 35.934 -35.888 -36.076 1 79.414 ? 140 TYR E CD1 1 5 +ATOM 6978 C CD2 . TYR E 2 146 ? 37.213 -37.353 -34.717 1 89.701 ? 140 TYR E CD2 1 5 +ATOM 6979 C CE1 . TYR E 2 146 ? 36.973 -35.838 -36.994 1 86.573 ? 140 TYR E CE1 1 5 +ATOM 6980 C CE2 . TYR E 2 146 ? 38.259 -37.318 -35.631 1 83.106 ? 140 TYR E CE2 1 5 +ATOM 6981 C CZ . TYR E 2 146 ? 38.138 -36.556 -36.772 1 83.209 ? 140 TYR E CZ 1 5 +ATOM 6982 O OH . TYR E 2 146 ? 39.159 -36.521 -37.668 1 104.518 ? 140 TYR E OH 1 5 +ATOM 6983 N N . PRO E 2 147 ? 35.006 -39.92 -35.195 1 73.565 ? 141 PRO E N 1 5 +ATOM 6984 C CA . PRO E 2 147 ? 35.052 -39.472 -36.594 1 74.871 ? 141 PRO E CA 1 5 +ATOM 6985 C C . PRO E 2 147 ? 33.796 -39.701 -37.433 1 79.036 ? 141 PRO E C 1 5 +ATOM 6986 O O . PRO E 2 147 ? 32.824 -40.266 -36.94 1 75.453 ? 141 PRO E O 1 5 +ATOM 6987 C CB . PRO E 2 147 ? 36.217 -40.276 -37.148 1 73.284 ? 141 PRO E CB 1 5 +ATOM 6988 C CG . PRO E 2 147 ? 36.188 -41.547 -36.348 1 75.777 ? 141 PRO E CG 1 5 +ATOM 6989 C CD . PRO E 2 147 ? 35.656 -41.217 -34.971 1 67.722 ? 141 PRO E CD 1 5 +ATOM 6990 N N . ARG E 2 148 ? 33.847 -39.254 -38.702 1 81.925 ? 142 ARG E N 1 5 +ATOM 6991 C CA . ARG E 2 148 ? 32.681 -39.168 -39.574 1 86.429 ? 142 ARG E CA 1 5 +ATOM 6992 C C . ARG E 2 148 ? 32.109 -40.555 -39.885 1 81.733 ? 142 ARG E C 1 5 +ATOM 6993 O O . ARG E 2 148 ? 30.93 -40.658 -40.234 1 79.666 ? 142 ARG E O 1 5 +ATOM 6994 C CB . ARG E 2 148 ? 33.057 -38.424 -40.862 1 92.892 ? 142 ARG E CB 1 5 +ATOM 6995 C CG . ARG E 2 148 ? 31.937 -38.029 -41.817 1 97.778 ? 142 ARG E CG 1 5 +ATOM 6996 C CD . ARG E 2 148 ? 32.467 -37.74 -43.219 1 105.106 ? 142 ARG E CD 1 5 +ATOM 6997 N NE . ARG E 2 148 ? 31.404 -37.475 -44.195 1 121.807 ? 142 ARG E NE 1 5 +ATOM 6998 C CZ . ARG E 2 148 ? 31.029 -36.263 -44.601 1 146.52 ? 142 ARG E CZ 1 5 +ATOM 6999 N NH1 . ARG E 2 148 ? 31.581 -35.174 -44.083 1 151.252 ? 142 ARG E NH1 1 5 +ATOM 7000 N NH2 . ARG E 2 148 ? 30.064 -36.144 -45.499 1 152.438 ? 142 ARG E NH2 1 5 +ATOM 7001 N N . GLU E 2 149 ? 32.938 -41.606 -39.778 1 80.709 ? 143 GLU E N 1 5 +ATOM 7002 C CA . GLU E 2 149 ? 32.52 -42.942 -40.188 1 90.894 ? 143 GLU E CA 1 5 +ATOM 7003 C C . GLU E 2 149 ? 31.56 -43.501 -39.132 1 77.809 ? 143 GLU E C 1 5 +ATOM 7004 O O . GLU E 2 149 ? 31.991 -43.884 -38.049 1 74.855 ? 143 GLU E O 1 5 +ATOM 7005 C CB . GLU E 2 149 ? 33.673 -43.914 -40.486 1 100.334 ? 143 GLU E CB 1 5 +ATOM 7006 C CG . GLU E 2 149 ? 34.7 -43.443 -41.528 1 118.894 ? 143 GLU E CG 1 5 +ATOM 7007 C CD . GLU E 2 149 ? 35.837 -42.481 -41.135 1 121.64 ? 143 GLU E CD 1 5 +ATOM 7008 O OE1 . GLU E 2 149 ? 36.239 -41.618 -41.959 1 98.557 ? 143 GLU E OE1 1 5 +ATOM 7009 O OE2 . GLU E 2 149 ? 36.358 -42.583 -39.997 1 133.411 ? 143 GLU E OE2 1 5 +ATOM 7010 N N . ALA E 2 150 ? 30.261 -43.556 -39.472 1 75.98 ? 144 ALA E N 1 5 +ATOM 7011 C CA . ALA E 2 150 ? 29.212 -44.114 -38.625 1 79.42 ? 144 ALA E CA 1 5 +ATOM 7012 C C . ALA E 2 150 ? 28.212 -44.917 -39.466 1 80.355 ? 144 ALA E C 1 5 +ATOM 7013 O O . ALA E 2 150 ? 27.777 -44.456 -40.517 1 88.593 ? 144 ALA E O 1 5 +ATOM 7014 C CB . ALA E 2 150 ? 28.517 -42.99 -37.87 1 86.63 ? 144 ALA E CB 1 5 +ATOM 7015 N N . LYS E 2 151 ? 27.829 -46.115 -38.999 1 83.517 ? 145 LYS E N 1 5 +ATOM 7016 C CA . LYS E 2 151 ? 26.851 -46.945 -39.689 1 83.092 ? 145 LYS E CA 1 5 +ATOM 7017 C C . LYS E 2 151 ? 25.487 -46.828 -39.005 1 83.161 ? 145 LYS E C 1 5 +ATOM 7018 O O . LYS E 2 151 ? 25.368 -46.937 -37.789 1 75.116 ? 145 LYS E O 1 5 +ATOM 7019 C CB . LYS E 2 151 ? 27.307 -48.402 -39.699 1 90.935 ? 145 LYS E CB 1 5 +ATOM 7020 C CG . LYS E 2 151 ? 26.265 -49.398 -40.186 1 108.854 ? 145 LYS E CG 1 5 +ATOM 7021 C CD . LYS E 2 151 ? 26.694 -50.858 -40.331 1 123.202 ? 145 LYS E CD 1 5 +ATOM 7022 C CE . LYS E 2 151 ? 27.532 -51.099 -41.573 1 131.569 ? 145 LYS E CE 1 5 +ATOM 7023 N NZ . LYS E 2 151 ? 27.727 -52.51 -41.915 1 134.809 ? 145 LYS E NZ 1 5 +ATOM 7024 N N . VAL E 2 152 ? 24.456 -46.586 -39.816 1 85.122 ? 146 VAL E N 1 5 +ATOM 7025 C CA . VAL E 2 152 ? 23.098 -46.429 -39.338 1 79.922 ? 146 VAL E CA 1 5 +ATOM 7026 C C . VAL E 2 152 ? 22.23 -47.46 -40.033 1 80.102 ? 146 VAL E C 1 5 +ATOM 7027 O O . VAL E 2 152 ? 22.114 -47.438 -41.246 1 96.72 ? 146 VAL E O 1 5 +ATOM 7028 C CB . VAL E 2 152 ? 22.554 -45.027 -39.633 1 80.436 ? 146 VAL E CB 1 5 +ATOM 7029 C CG1 . VAL E 2 152 ? 21.083 -44.939 -39.258 1 94.794 ? 146 VAL E CG1 1 5 +ATOM 7030 C CG2 . VAL E 2 152 ? 23.347 -43.972 -38.888 1 83.183 ? 146 VAL E CG2 1 5 +ATOM 7031 N N . GLN E 2 153 ? 21.581 -48.333 -39.272 1 75.523 ? 147 GLN E N 1 5 +ATOM 7032 C CA . GLN E 2 153 ? 20.754 -49.346 -39.894 1 78.818 ? 147 GLN E CA 1 5 +ATOM 7033 C C . GLN E 2 153 ? 19.319 -49.17 -39.446 1 75.611 ? 147 GLN E C 1 5 +ATOM 7034 O O . GLN E 2 153 ? 19.099 -48.773 -38.325 1 69.196 ? 147 GLN E O 1 5 +ATOM 7035 C CB . GLN E 2 153 ? 21.231 -50.758 -39.57 1 87.84 ? 147 GLN E CB 1 5 +ATOM 7036 C CG . GLN E 2 153 ? 22.457 -51.126 -40.39 1 95.775 ? 147 GLN E CG 1 5 +ATOM 7037 C CD . GLN E 2 153 ? 22.858 -52.569 -40.274 1 95.669 ? 147 GLN E CD 1 5 +ATOM 7038 O OE1 . GLN E 2 153 ? 22.716 -53.204 -39.221 1 97.014 ? 147 GLN E OE1 1 5 +ATOM 7039 N NE2 . GLN E 2 153 ? 23.316 -53.094 -41.398 1 95.349 ? 147 GLN E NE2 1 5 +ATOM 7040 N N . TRP E 2 154 ? 18.38 -49.482 -40.339 1 81.173 ? 148 TRP E N 1 5 +ATOM 7041 C CA . TRP E 2 154 ? 16.957 -49.438 -40.044 1 79.387 ? 148 TRP E CA 1 5 +ATOM 7042 C C . TRP E 2 154 ? 16.398 -50.854 -39.907 1 82.476 ? 148 TRP E C 1 5 +ATOM 7043 O O . TRP E 2 154 ? 16.554 -51.672 -40.818 1 90.245 ? 148 TRP E O 1 5 +ATOM 7044 C CB . TRP E 2 154 ? 16.214 -48.679 -41.154 1 78.919 ? 148 TRP E CB 1 5 +ATOM 7045 C CG . TRP E 2 154 ? 16.425 -47.194 -41.112 1 71.398 ? 148 TRP E CG 1 5 +ATOM 7046 C CD1 . TRP E 2 154 ? 17.246 -46.447 -41.899 1 71.32 ? 148 TRP E CD1 1 5 +ATOM 7047 C CD2 . TRP E 2 154 ? 15.821 -46.285 -40.174 1 70.59 ? 148 TRP E CD2 1 5 +ATOM 7048 N NE1 . TRP E 2 154 ? 17.191 -45.138 -41.521 1 71.146 ? 148 TRP E NE1 1 5 +ATOM 7049 C CE2 . TRP E 2 154 ? 16.334 -45.006 -40.462 1 68.787 ? 148 TRP E CE2 1 5 +ATOM 7050 C CE3 . TRP E 2 154 ? 14.907 -46.432 -39.124 1 77.294 ? 148 TRP E CE3 1 5 +ATOM 7051 C CZ2 . TRP E 2 154 ? 15.941 -43.87 -39.755 1 71.688 ? 148 TRP E CZ2 1 5 +ATOM 7052 C CZ3 . TRP E 2 154 ? 14.515 -45.31 -38.432 1 76.269 ? 148 TRP E CZ3 1 5 +ATOM 7053 C CH2 . TRP E 2 154 ? 15.026 -44.045 -38.741 1 74.685 ? 148 TRP E CH2 1 5 +ATOM 7054 N N . LYS E 2 155 ? 15.702 -51.116 -38.789 1 77.796 ? 149 LYS E N 1 5 +ATOM 7055 C CA . LYS E 2 155 ? 15 -52.38 -38.586 1 80.951 ? 149 LYS E CA 1 5 +ATOM 7056 C C . LYS E 2 155 ? 13.521 -52.106 -38.318 1 81.103 ? 149 LYS E C 1 5 +ATOM 7057 O O . LYS E 2 155 ? 13.201 -51.341 -37.42 1 78.929 ? 149 LYS E O 1 5 +ATOM 7058 C CB . LYS E 2 155 ? 15.627 -53.214 -37.462 1 83.89 ? 149 LYS E CB 1 5 +ATOM 7059 C CG . LYS E 2 155 ? 17.032 -53.713 -37.767 1 100.957 ? 149 LYS E CG 1 5 +ATOM 7060 C CD . LYS E 2 155 ? 17.928 -54.128 -36.597 1 108.315 ? 149 LYS E CD 1 5 +ATOM 7061 C CE . LYS E 2 155 ? 19.331 -54.429 -37.098 1 111.788 ? 149 LYS E CE 1 5 +ATOM 7062 N NZ . LYS E 2 155 ? 20.114 -55.301 -36.216 1 108.936 ? 149 LYS E NZ 1 5 +ATOM 7063 N N . VAL E 2 156 ? 12.644 -52.687 -39.146 1 81.278 ? 150 VAL E N 1 5 +ATOM 7064 C CA . VAL E 2 156 ? 11.201 -52.628 -38.962 1 81.603 ? 150 VAL E CA 1 5 +ATOM 7065 C C . VAL E 2 156 ? 10.71 -54.049 -38.691 1 88.762 ? 150 VAL E C 1 5 +ATOM 7066 O O . VAL E 2 156 ? 10.788 -54.903 -39.57 1 90.585 ? 150 VAL E O 1 5 +ATOM 7067 C CB . VAL E 2 156 ? 10.503 -52.012 -40.19 1 78.916 ? 150 VAL E CB 1 5 +ATOM 7068 C CG1 . VAL E 2 156 ? 8.987 -52.086 -40.103 1 76.43 ? 150 VAL E CG1 1 5 +ATOM 7069 C CG2 . VAL E 2 156 ? 10.953 -50.574 -40.418 1 86.141 ? 150 VAL E CG2 1 5 +ATOM 7070 N N . ASP E 2 157 ? 10.221 -54.29 -37.463 1 87.413 ? 151 ASP E N 1 5 +ATOM 7071 C CA . ASP E 2 157 ? 9.848 -55.612 -36.975 1 77.864 ? 151 ASP E CA 1 5 +ATOM 7072 C C . ASP E 2 157 ? 11.073 -56.506 -37.035 1 80.539 ? 151 ASP E C 1 5 +ATOM 7073 O O . ASP E 2 157 ? 10.959 -57.652 -37.413 1 80.786 ? 151 ASP E O 1 5 +ATOM 7074 C CB . ASP E 2 157 ? 8.681 -56.229 -37.735 1 76.57 ? 151 ASP E CB 1 5 +ATOM 7075 C CG . ASP E 2 157 ? 7.332 -55.582 -37.485 1 76.254 ? 151 ASP E CG 1 5 +ATOM 7076 O OD1 . ASP E 2 157 ? 7.311 -54.724 -36.558 1 74.135 ? 151 ASP E OD1 1 5 +ATOM 7077 O OD2 . ASP E 2 157 ? 6.356 -55.934 -38.219 1 71.438 ? 151 ASP E OD2 1 5 +ATOM 7078 N N . ASN E 2 158 ? 12.235 -55.958 -36.684 1 88.561 ? 152 ASN E N 1 5 +ATOM 7079 C CA . ASN E 2 158 ? 13.48 -56.708 -36.619 1 99.004 ? 152 ASN E CA 1 5 +ATOM 7080 C C . ASN E 2 158 ? 13.931 -57.203 -38.014 1 96.173 ? 152 ASN E C 1 5 +ATOM 7081 O O . ASN E 2 158 ? 14.735 -58.128 -38.153 1 89.055 ? 152 ASN E O 1 5 +ATOM 7082 C CB . ASN E 2 158 ? 13.364 -57.743 -35.503 1 90.56 ? 152 ASN E CB 1 5 +ATOM 7083 C CG . ASN E 2 158 ? 14.602 -57.783 -34.642 1 94.236 ? 152 ASN E CG 1 5 +ATOM 7084 O OD1 . ASN E 2 158 ? 15.517 -56.959 -34.79 1 99.109 ? 152 ASN E OD1 1 5 +ATOM 7085 N ND2 . ASN E 2 158 ? 14.639 -58.718 -33.708 1 98.846 ? 152 ASN E ND2 1 5 +ATOM 7086 N N . ALA E 2 159 ? 13.478 -56.507 -39.063 1 86.953 ? 153 ALA E N 1 5 +ATOM 7087 C CA . ALA E 2 159 ? 13.859 -56.793 -40.434 1 87.486 ? 153 ALA E CA 1 5 +ATOM 7088 C C . ALA E 2 159 ? 14.605 -55.607 -41.023 1 84.706 ? 153 ALA E C 1 5 +ATOM 7089 O O . ALA E 2 159 ? 14.102 -54.491 -40.922 1 86.012 ? 153 ALA E O 1 5 +ATOM 7090 C CB . ALA E 2 159 ? 12.621 -57.043 -41.252 1 90.142 ? 153 ALA E CB 1 5 +ATOM 7091 N N . LEU E 2 160 ? 15.738 -55.873 -41.692 1 85.422 ? 154 LEU E N 1 5 +ATOM 7092 C CA . LEU E 2 160 ? 16.582 -54.81 -42.211 1 90.132 ? 154 LEU E CA 1 5 +ATOM 7093 C C . LEU E 2 160 ? 15.997 -54.202 -43.473 1 85.291 ? 154 LEU E C 1 5 +ATOM 7094 O O . LEU E 2 160 ? 15.592 -54.922 -44.381 1 101.518 ? 154 LEU E O 1 5 +ATOM 7095 C CB . LEU E 2 160 ? 18.013 -55.273 -42.451 1 104.624 ? 154 LEU E CB 1 5 +ATOM 7096 C CG . LEU E 2 160 ? 18.889 -55.262 -41.191 1 134.818 ? 154 LEU E CG 1 5 +ATOM 7097 C CD1 . LEU E 2 160 ? 18.75 -56.53 -40.296 1 141.881 ? 154 LEU E CD1 1 5 +ATOM 7098 C CD2 . LEU E 2 160 ? 20.327 -54.971 -41.64 1 133.184 ? 154 LEU E CD2 1 5 +ATOM 7099 N N . GLN E 2 161 ? 16.017 -52.865 -43.52 1 78.393 ? 155 GLN E N 1 5 +ATOM 7100 C CA . GLN E 2 161 ? 15.467 -52.126 -44.643 1 82.497 ? 155 GLN E CA 1 5 +ATOM 7101 C C . GLN E 2 161 ? 16.565 -51.842 -45.666 1 90.596 ? 155 GLN E C 1 5 +ATOM 7102 O O . GLN E 2 161 ? 17.709 -51.634 -45.273 1 111.697 ? 155 GLN E O 1 5 +ATOM 7103 C CB . GLN E 2 161 ? 14.869 -50.816 -44.127 1 77.694 ? 155 GLN E CB 1 5 +ATOM 7104 C CG . GLN E 2 161 ? 13.82 -50.995 -43.033 1 72.069 ? 155 GLN E CG 1 5 +ATOM 7105 C CD . GLN E 2 161 ? 12.619 -51.796 -43.476 1 72.922 ? 155 GLN E CD 1 5 +ATOM 7106 O OE1 . GLN E 2 161 ? 11.795 -51.376 -44.305 1 65.234 ? 155 GLN E OE1 1 5 +ATOM 7107 N NE2 . GLN E 2 161 ? 12.531 -52.99 -42.917 1 82.128 ? 155 GLN E NE2 1 5 +ATOM 7108 N N . SER E 2 162 ? 16.226 -51.802 -46.966 1 87.374 ? 156 SER E N 1 5 +ATOM 7109 C CA . SER E 2 162 ? 17.201 -51.47 -48.002 1 82.436 ? 156 SER E CA 1 5 +ATOM 7110 C C . SER E 2 162 ? 16.618 -50.481 -49.014 1 91.348 ? 156 SER E C 1 5 +ATOM 7111 O O . SER E 2 162 ? 15.504 -50.687 -49.479 1 97.505 ? 156 SER E O 1 5 +ATOM 7112 C CB . SER E 2 162 ? 17.684 -52.697 -48.701 1 77.001 ? 156 SER E CB 1 5 +ATOM 7113 O OG . SER E 2 162 ? 18.032 -53.704 -47.768 1 72.441 ? 156 SER E OG 1 5 +ATOM 7114 N N . GLY E 2 163 ? 17.379 -49.424 -49.362 1 92.668 ? 157 GLY E N 1 5 +ATOM 7115 C CA . GLY E 2 163 ? 17.054 -48.529 -50.471 1 92.167 ? 157 GLY E CA 1 5 +ATOM 7116 C C . GLY E 2 163 ? 15.779 -47.716 -50.243 1 93.849 ? 157 GLY E C 1 5 +ATOM 7117 O O . GLY E 2 163 ? 15.179 -47.218 -51.182 1 94.324 ? 157 GLY E O 1 5 +ATOM 7118 N N . ASN E 2 164 ? 15.368 -47.575 -48.979 1 109.763 ? 158 ASN E N 1 5 +ATOM 7119 C CA . ASN E 2 164 ? 14.204 -46.779 -48.592 1 101.059 ? 158 ASN E CA 1 5 +ATOM 7120 C C . ASN E 2 164 ? 14.592 -45.751 -47.521 1 93.252 ? 158 ASN E C 1 5 +ATOM 7121 O O . ASN E 2 164 ? 13.739 -45.214 -46.833 1 83.891 ? 158 ASN E O 1 5 +ATOM 7122 C CB . ASN E 2 164 ? 13.058 -47.678 -48.126 1 97.6 ? 158 ASN E CB 1 5 +ATOM 7123 C CG . ASN E 2 164 ? 13.406 -48.63 -46.995 1 94.653 ? 158 ASN E CG 1 5 +ATOM 7124 O OD1 . ASN E 2 164 ? 14.567 -48.766 -46.579 1 100.278 ? 158 ASN E OD1 1 5 +ATOM 7125 N ND2 . ASN E 2 164 ? 12.406 -49.344 -46.505 1 90.449 ? 158 ASN E ND2 1 5 +ATOM 7126 N N . SER E 2 165 ? 15.895 -45.489 -47.381 1 82.06 ? 159 SER E N 1 5 +ATOM 7127 C CA . SER E 2 165 ? 16.427 -44.56 -46.404 1 78.937 ? 159 SER E CA 1 5 +ATOM 7128 C C . SER E 2 165 ? 17.623 -43.858 -47.023 1 80.281 ? 159 SER E C 1 5 +ATOM 7129 O O . SER E 2 165 ? 18.27 -44.434 -47.886 1 84.299 ? 159 SER E O 1 5 +ATOM 7130 C CB . SER E 2 165 ? 16.815 -45.242 -45.1 1 76.775 ? 159 SER E CB 1 5 +ATOM 7131 O OG . SER E 2 165 ? 17.641 -46.368 -45.309 1 74.091 ? 159 SER E OG 1 5 +ATOM 7132 N N . GLN E 2 166 ? 17.919 -42.635 -46.563 1 86.108 ? 160 GLN E N 1 5 +ATOM 7133 C CA . GLN E 2 166 ? 19.096 -41.901 -47.01 1 84.139 ? 160 GLN E CA 1 5 +ATOM 7134 C C . GLN E 2 166 ? 19.71 -41.147 -45.839 1 81.242 ? 160 GLN E C 1 5 +ATOM 7135 O O . GLN E 2 166 ? 18.973 -40.565 -45.033 1 79.711 ? 160 GLN E O 1 5 +ATOM 7136 C CB . GLN E 2 166 ? 18.712 -40.945 -48.14 1 85.538 ? 160 GLN E CB 1 5 +ATOM 7137 C CG . GLN E 2 166 ? 18.402 -41.695 -49.424 1 88.24 ? 160 GLN E CG 1 5 +ATOM 7138 C CD . GLN E 2 166 ? 17.751 -40.848 -50.48 1 90.525 ? 160 GLN E CD 1 5 +ATOM 7139 O OE1 . GLN E 2 166 ? 16.629 -41.118 -50.923 1 105.993 ? 160 GLN E OE1 1 5 +ATOM 7140 N NE2 . GLN E 2 166 ? 18.476 -39.828 -50.902 1 91.772 ? 160 GLN E NE2 1 5 +ATOM 7141 N N . GLU E 2 167 ? 21.053 -41.128 -45.798 1 79.606 ? 161 GLU E N 1 5 +ATOM 7142 C CA . GLU E 2 167 ? 21.812 -40.418 -44.772 1 81.103 ? 161 GLU E CA 1 5 +ATOM 7143 C C . GLU E 2 167 ? 22.216 -39.034 -45.297 1 82.527 ? 161 GLU E C 1 5 +ATOM 7144 O O . GLU E 2 167 ? 22.262 -38.781 -46.511 1 73.402 ? 161 GLU E O 1 5 +ATOM 7145 C CB . GLU E 2 167 ? 23.085 -41.167 -44.362 1 88.345 ? 161 GLU E CB 1 5 +ATOM 7146 C CG . GLU E 2 167 ? 22.906 -42.523 -43.671 1 111.272 ? 161 GLU E CG 1 5 +ATOM 7147 C CD . GLU E 2 167 ? 24.224 -43.246 -43.296 1 117.544 ? 161 GLU E CD 1 5 +ATOM 7148 O OE1 . GLU E 2 167 ? 24.217 -44.384 -42.728 1 110.38 ? 161 GLU E OE1 1 5 +ATOM 7149 O OE2 . GLU E 2 167 ? 25.31 -42.68 -43.579 1 105.162 ? 161 GLU E OE2 1 5 +ATOM 7150 N N . SER E 2 168 ? 22.53 -38.128 -44.366 1 80.689 ? 162 SER E N 1 5 +ATOM 7151 C CA . SER E 2 168 ? 23.106 -36.839 -44.714 1 83.743 ? 162 SER E CA 1 5 +ATOM 7152 C C . SER E 2 168 ? 23.946 -36.334 -43.547 1 89.371 ? 162 SER E C 1 5 +ATOM 7153 O O . SER E 2 168 ? 23.464 -36.274 -42.409 1 79.375 ? 162 SER E O 1 5 +ATOM 7154 C CB . SER E 2 168 ? 22.043 -35.826 -45.082 1 83.57 ? 162 SER E CB 1 5 +ATOM 7155 O OG . SER E 2 168 ? 22.635 -34.69 -45.705 1 69.083 ? 162 SER E OG 1 5 +ATOM 7156 N N . VAL E 2 169 ? 25.196 -35.951 -43.85 1 92.49 ? 163 VAL E N 1 5 +ATOM 7157 C CA . VAL E 2 169 ? 26.129 -35.491 -42.832 1 83.931 ? 163 VAL E CA 1 5 +ATOM 7158 C C . VAL E 2 169 ? 26.384 -33.993 -42.994 1 77.906 ? 163 VAL E C 1 5 +ATOM 7159 O O . VAL E 2 169 ? 26.558 -33.502 -44.103 1 76.82 ? 163 VAL E O 1 5 +ATOM 7160 C CB . VAL E 2 169 ? 27.448 -36.27 -42.929 1 77.703 ? 163 VAL E CB 1 5 +ATOM 7161 C CG1 . VAL E 2 169 ? 28.288 -36.059 -41.679 1 81.906 ? 163 VAL E CG1 1 5 +ATOM 7162 C CG2 . VAL E 2 169 ? 27.197 -37.743 -43.195 1 79.595 ? 163 VAL E CG2 1 5 +ATOM 7163 N N . THR E 2 170 ? 26.423 -33.27 -41.87 1 76.225 ? 164 THR E N 1 5 +ATOM 7164 C CA . THR E 2 170 ? 26.796 -31.865 -41.874 1 78.38 ? 164 THR E CA 1 5 +ATOM 7165 C C . THR E 2 170 ? 28.321 -31.728 -41.927 1 87.852 ? 164 THR E C 1 5 +ATOM 7166 O O . THR E 2 170 ? 29.079 -32.686 -41.753 1 79.836 ? 164 THR E O 1 5 +ATOM 7167 C CB . THR E 2 170 ? 26.22 -31.172 -40.642 1 75.704 ? 164 THR E CB 1 5 +ATOM 7168 O OG1 . THR E 2 170 ? 26.637 -31.929 -39.518 1 76.112 ? 164 THR E OG1 1 5 +ATOM 7169 C CG2 . THR E 2 170 ? 24.704 -31.163 -40.594 1 77.467 ? 164 THR E CG2 1 5 +ATOM 7170 N N . GLU E 2 171 ? 28.772 -30.5 -42.202 1 98.044 ? 165 GLU E N 1 5 +ATOM 7171 C CA . GLU E 2 171 ? 30.197 -30.214 -42.206 1 101.624 ? 165 GLU E CA 1 5 +ATOM 7172 C C . GLU E 2 171 ? 30.667 -30.15 -40.752 1 95.335 ? 165 GLU E C 1 5 +ATOM 7173 O O . GLU E 2 171 ? 29.849 -30.024 -39.829 1 85.875 ? 165 GLU E O 1 5 +ATOM 7174 C CB . GLU E 2 171 ? 30.422 -28.951 -43.039 1 95.941 ? 165 GLU E CB 1 5 +ATOM 7175 C CG . GLU E 2 171 ? 30.138 -29.141 -44.533 1 96.068 ? 165 GLU E CG 1 5 +ATOM 7176 C CD . GLU E 2 171 ? 31.16 -29.899 -45.38 1 109.165 ? 165 GLU E CD 1 5 +ATOM 7177 O OE1 . GLU E 2 171 ? 30.766 -30.321 -46.523 1 96.161 ? 165 GLU E OE1 1 5 +ATOM 7178 O OE2 . GLU E 2 171 ? 32.333 -30.075 -44.903 1 111.268 ? 165 GLU E OE2 1 5 +ATOM 7179 N N . GLN E 2 172 ? 31.991 -30.212 -40.531 1 79.173 ? 166 GLN E N 1 5 +ATOM 7180 C CA . GLN E 2 172 ? 32.507 -30.115 -39.171 1 80.628 ? 166 GLN E CA 1 5 +ATOM 7181 C C . GLN E 2 172 ? 31.943 -28.888 -38.443 1 84.137 ? 166 GLN E C 1 5 +ATOM 7182 O O . GLN E 2 172 ? 31.948 -27.789 -38.975 1 109.939 ? 166 GLN E O 1 5 +ATOM 7183 C CB . GLN E 2 172 ? 34.034 -30.124 -39.192 1 81.175 ? 166 GLN E CB 1 5 +ATOM 7184 C CG . GLN E 2 172 ? 34.615 -31.409 -38.615 1 84.935 ? 166 GLN E CG 1 5 +ATOM 7185 C CD . GLN E 2 172 ? 36.12 -31.526 -38.736 1 79.753 ? 166 GLN E CD 1 5 +ATOM 7186 O OE1 . GLN E 2 172 ? 36.716 -31.135 -39.753 1 76.308 ? 166 GLN E OE1 1 5 +ATOM 7187 N NE2 . GLN E 2 172 ? 36.722 -32.111 -37.705 1 72.911 ? 166 GLN E NE2 1 5 +ATOM 7188 N N . ASP E 2 173 ? 31.499 -29.043 -37.194 1 83.84 ? 167 ASP E N 1 5 +ATOM 7189 C CA . ASP E 2 173 ? 31.026 -27.911 -36.408 1 89.204 ? 167 ASP E CA 1 5 +ATOM 7190 C C . ASP E 2 173 ? 32.23 -27.04 -36.084 1 97.618 ? 167 ASP E C 1 5 +ATOM 7191 O O . ASP E 2 173 ? 33.346 -27.543 -35.9 1 94.437 ? 167 ASP E O 1 5 +ATOM 7192 C CB . ASP E 2 173 ? 30.362 -28.34 -35.103 1 100.623 ? 167 ASP E CB 1 5 +ATOM 7193 C CG . ASP E 2 173 ? 29.581 -27.302 -34.308 1 97.937 ? 167 ASP E CG 1 5 +ATOM 7194 O OD1 . ASP E 2 173 ? 29.315 -26.204 -34.847 1 98.451 ? 167 ASP E OD1 1 5 +ATOM 7195 O OD2 . ASP E 2 173 ? 29.254 -27.611 -33.135 1 106.017 ? 167 ASP E OD2 1 5 +ATOM 7196 N N . SER E 2 174 ? 31.953 -25.731 -35.992 1 126.655 ? 168 SER E N 1 5 +ATOM 7197 C CA . SER E 2 174 ? 32.941 -24.701 -35.707 1 117.595 ? 168 SER E CA 1 5 +ATOM 7198 C C . SER E 2 174 ? 33.448 -24.774 -34.261 1 108.069 ? 168 SER E C 1 5 +ATOM 7199 O O . SER E 2 174 ? 34.596 -24.399 -34.035 1 83.81 ? 168 SER E O 1 5 +ATOM 7200 C CB . SER E 2 174 ? 32.354 -23.352 -36.009 1 117.864 ? 168 SER E CB 1 5 +ATOM 7201 O OG . SER E 2 174 ? 31.115 -23.184 -35.32 1 133.699 ? 168 SER E OG 1 5 +ATOM 7202 N N . LYS E 2 175 ? 32.651 -25.332 -33.328 1 110.828 ? 169 LYS E N 1 5 +ATOM 7203 C CA . LYS E 2 175 ? 32.999 -25.363 -31.911 1 111.375 ? 169 LYS E CA 1 5 +ATOM 7204 C C . LYS E 2 175 ? 33.579 -26.727 -31.51 1 101.894 ? 169 LYS E C 1 5 +ATOM 7205 O O . LYS E 2 175 ? 34.636 -26.765 -30.892 1 91.147 ? 169 LYS E O 1 5 +ATOM 7206 C CB . LYS E 2 175 ? 31.815 -25.101 -30.967 1 119.559 ? 169 LYS E CB 1 5 +ATOM 7207 C CG . LYS E 2 175 ? 30.532 -24.472 -31.495 1 127.423 ? 169 LYS E CG 1 5 +ATOM 7208 C CD . LYS E 2 175 ? 30.497 -23.031 -31.945 1 145.649 ? 169 LYS E CD 1 5 +ATOM 7209 C CE . LYS E 2 175 ? 29.111 -22.819 -32.482 1 154.63 ? 169 LYS E CE 1 5 +ATOM 7210 N NZ . LYS E 2 175 ? 28.843 -21.436 -32.854 1 165.249 ? 169 LYS E NZ 1 5 +ATOM 7211 N N . ASP E 2 176 ? 32.848 -27.821 -31.827 1 97.722 ? 170 ASP E N 1 5 +ATOM 7212 C CA . ASP E 2 176 ? 33.147 -29.167 -31.357 1 77.966 ? 170 ASP E CA 1 5 +ATOM 7213 C C . ASP E 2 176 ? 34.142 -29.803 -32.323 1 74.769 ? 170 ASP E C 1 5 +ATOM 7214 O O . ASP E 2 176 ? 34.93 -30.635 -31.911 1 82.304 ? 170 ASP E O 1 5 +ATOM 7215 C CB . ASP E 2 176 ? 31.902 -30.042 -31.176 1 73.051 ? 170 ASP E CB 1 5 +ATOM 7216 C CG . ASP E 2 176 ? 31.218 -30.128 -29.797 1 78.412 ? 170 ASP E CG 1 5 +ATOM 7217 O OD1 . ASP E 2 176 ? 31.703 -30.773 -28.824 1 74.222 ? 170 ASP E OD1 1 5 +ATOM 7218 O OD2 . ASP E 2 176 ? 30.122 -29.596 -29.675 1 93.793 ? 170 ASP E OD2 1 5 +ATOM 7219 N N . SER E 2 177 ? 34.1 -29.438 -33.61 1 80.406 ? 171 SER E N 1 5 +ATOM 7220 C CA . SER E 2 177 ? 34.884 -30.109 -34.652 1 81.737 ? 171 SER E CA 1 5 +ATOM 7221 C C . SER E 2 177 ? 34.326 -31.508 -34.924 1 78.495 ? 171 SER E C 1 5 +ATOM 7222 O O . SER E 2 177 ? 35.08 -32.411 -35.312 1 64.965 ? 171 SER E O 1 5 +ATOM 7223 C CB . SER E 2 177 ? 36.365 -30.159 -34.331 1 85.218 ? 171 SER E CB 1 5 +ATOM 7224 O OG . SER E 2 177 ? 36.961 -28.916 -34.637 1 92.626 ? 171 SER E OG 1 5 +ATOM 7225 N N . THR E 2 178 ? 32.989 -31.635 -34.764 1 78.508 ? 172 THR E N 1 5 +ATOM 7226 C CA . THR E 2 178 ? 32.277 -32.9 -34.852 1 76.128 ? 172 THR E CA 1 5 +ATOM 7227 C C . THR E 2 178 ? 31.258 -32.855 -35.978 1 72.166 ? 172 THR E C 1 5 +ATOM 7228 O O . THR E 2 178 ? 30.884 -31.785 -36.417 1 74.23 ? 172 THR E O 1 5 +ATOM 7229 C CB . THR E 2 178 ? 31.579 -33.19 -33.531 1 77.526 ? 172 THR E CB 1 5 +ATOM 7230 O OG1 . THR E 2 178 ? 30.724 -32.065 -33.312 1 79.947 ? 172 THR E OG1 1 5 +ATOM 7231 C CG2 . THR E 2 178 ? 32.572 -33.419 -32.41 1 71.988 ? 172 THR E CG2 1 5 +ATOM 7232 N N . TYR E 2 179 ? 30.805 -34.038 -36.413 1 77.798 ? 173 TYR E N 1 5 +ATOM 7233 C CA . TYR E 2 179 ? 29.798 -34.174 -37.46 1 74.641 ? 173 TYR E CA 1 5 +ATOM 7234 C C . TYR E 2 179 ? 28.439 -34.503 -36.846 1 72.195 ? 173 TYR E C 1 5 +ATOM 7235 O O . TYR E 2 179 ? 28.34 -34.879 -35.685 1 72.767 ? 173 TYR E O 1 5 +ATOM 7236 C CB . TYR E 2 179 ? 30.215 -35.25 -38.46 1 67.435 ? 173 TYR E CB 1 5 +ATOM 7237 C CG . TYR E 2 179 ? 31.559 -34.975 -39.12 1 70.62 ? 173 TYR E CG 1 5 +ATOM 7238 C CD1 . TYR E 2 179 ? 31.651 -34.213 -40.273 1 76.199 ? 173 TYR E CD1 1 5 +ATOM 7239 C CD2 . TYR E 2 179 ? 32.733 -35.514 -38.613 1 72.4 ? 173 TYR E CD2 1 5 +ATOM 7240 C CE1 . TYR E 2 179 ? 32.877 -33.976 -40.879 1 88.791 ? 173 TYR E CE1 1 5 +ATOM 7241 C CE2 . TYR E 2 179 ? 33.962 -35.287 -39.204 1 69.518 ? 173 TYR E CE2 1 5 +ATOM 7242 C CZ . TYR E 2 179 ? 34.044 -34.513 -40.342 1 83.252 ? 173 TYR E CZ 1 5 +ATOM 7243 O OH . TYR E 2 179 ? 35.284 -34.323 -40.917 1 90.727 ? 173 TYR E OH 1 5 +ATOM 7244 N N . SER E 2 180 ? 27.389 -34.352 -37.653 1 66.41 ? 174 SER E N 1 5 +ATOM 7245 C CA . SER E 2 180 ? 26.044 -34.739 -37.263 1 66.645 ? 174 SER E CA 1 5 +ATOM 7246 C C . SER E 2 180 ? 25.379 -35.419 -38.447 1 71.173 ? 174 SER E C 1 5 +ATOM 7247 O O . SER E 2 180 ? 25.685 -35.087 -39.583 1 86.32 ? 174 SER E O 1 5 +ATOM 7248 C CB . SER E 2 180 ? 25.253 -33.574 -36.771 1 70.769 ? 174 SER E CB 1 5 +ATOM 7249 O OG . SER E 2 180 ? 25.743 -33.123 -35.509 1 76.163 ? 174 SER E OG 1 5 +ATOM 7250 N N . LEU E 2 181 ? 24.521 -36.411 -38.193 1 73.425 ? 175 LEU E N 1 5 +ATOM 7251 C CA . LEU E 2 181 ? 23.98 -37.228 -39.273 1 76.662 ? 175 LEU E CA 1 5 +ATOM 7252 C C . LEU E 2 181 ? 22.47 -37.302 -39.145 1 75.101 ? 175 LEU E C 1 5 +ATOM 7253 O O . LEU E 2 181 ? 21.964 -37.344 -38.032 1 78.658 ? 175 LEU E O 1 5 +ATOM 7254 C CB . LEU E 2 181 ? 24.598 -38.628 -39.243 1 81.535 ? 175 LEU E CB 1 5 +ATOM 7255 C CG . LEU E 2 181 ? 24.562 -39.422 -40.556 1 79.224 ? 175 LEU E CG 1 5 +ATOM 7256 C CD1 . LEU E 2 181 ? 25.884 -40.114 -40.824 1 78.072 ? 175 LEU E CD1 1 5 +ATOM 7257 C CD2 . LEU E 2 181 ? 23.471 -40.46 -40.566 1 78.456 ? 175 LEU E CD2 1 5 +ATOM 7258 N N . SER E 2 182 ? 21.779 -37.383 -40.289 1 76.628 ? 176 SER E N 1 5 +ATOM 7259 C CA . SER E 2 182 ? 20.335 -37.547 -40.313 1 76.945 ? 176 SER E CA 1 5 +ATOM 7260 C C . SER E 2 182 ? 19.933 -38.591 -41.343 1 78.984 ? 176 SER E C 1 5 +ATOM 7261 O O . SER E 2 182 ? 20.053 -38.338 -42.546 1 85.181 ? 176 SER E O 1 5 +ATOM 7262 C CB . SER E 2 182 ? 19.669 -36.251 -40.629 1 79.823 ? 176 SER E CB 1 5 +ATOM 7263 O OG . SER E 2 182 ? 18.26 -36.393 -40.533 1 82.628 ? 176 SER E OG 1 5 +ATOM 7264 N N . SER E 2 183 ? 19.445 -39.744 -40.867 1 76.257 ? 177 SER E N 1 5 +ATOM 7265 C CA . SER E 2 183 ? 18.937 -40.778 -41.754 1 79.193 ? 177 SER E CA 1 5 +ATOM 7266 C C . SER E 2 183 ? 17.412 -40.731 -41.758 1 78.656 ? 177 SER E C 1 5 +ATOM 7267 O O . SER E 2 183 ? 16.793 -40.664 -40.7 1 75.838 ? 177 SER E O 1 5 +ATOM 7268 C CB . SER E 2 183 ? 19.452 -42.135 -41.355 1 85.809 ? 177 SER E CB 1 5 +ATOM 7269 O OG . SER E 2 183 ? 19.506 -43.045 -42.455 1 91.539 ? 177 SER E OG 1 5 +ATOM 7270 N N . THR E 2 184 ? 16.795 -40.731 -42.947 1 83.481 ? 178 THR E N 1 5 +ATOM 7271 C CA . THR E 2 184 ? 15.337 -40.67 -43.008 1 89.712 ? 178 THR E CA 1 5 +ATOM 7272 C C . THR E 2 184 ? 14.816 -41.91 -43.728 1 82.15 ? 178 THR E C 1 5 +ATOM 7273 O O . THR E 2 184 ? 15.098 -42.088 -44.9 1 76.744 ? 178 THR E O 1 5 +ATOM 7274 C CB . THR E 2 184 ? 14.829 -39.391 -43.693 1 87.884 ? 178 THR E CB 1 5 +ATOM 7275 O OG1 . THR E 2 184 ? 15.274 -38.282 -42.914 1 91.012 ? 178 THR E OG1 1 5 +ATOM 7276 C CG2 . THR E 2 184 ? 13.313 -39.366 -43.846 1 74.237 ? 178 THR E CG2 1 5 +ATOM 7277 N N . LEU E 2 185 ? 14.036 -42.732 -43.019 1 81.409 ? 179 LEU E N 1 5 +ATOM 7278 C CA . LEU E 2 185 ? 13.367 -43.893 -43.591 1 81.5 ? 179 LEU E CA 1 5 +ATOM 7279 C C . LEU E 2 185 ? 11.972 -43.479 -44.029 1 83.081 ? 179 LEU E C 1 5 +ATOM 7280 O O . LEU E 2 185 ? 11.206 -42.999 -43.202 1 87.016 ? 179 LEU E O 1 5 +ATOM 7281 C CB . LEU E 2 185 ? 13.289 -44.963 -42.504 1 81.571 ? 179 LEU E CB 1 5 +ATOM 7282 C CG . LEU E 2 185 ? 12.492 -46.227 -42.825 1 71.74 ? 179 LEU E CG 1 5 +ATOM 7283 C CD1 . LEU E 2 185 ? 13.193 -46.96 -43.936 1 76.259 ? 179 LEU E CD1 1 5 +ATOM 7284 C CD2 . LEU E 2 185 ? 12.331 -47.101 -41.593 1 64.435 ? 179 LEU E CD2 1 5 +ATOM 7285 N N . THR E 2 186 ? 11.649 -43.66 -45.311 1 77.309 ? 180 THR E N 1 5 +ATOM 7286 C CA . THR E 2 186 ? 10.339 -43.258 -45.797 1 82.333 ? 180 THR E CA 1 5 +ATOM 7287 C C . THR E 2 186 ? 9.58 -44.502 -46.241 1 82.644 ? 180 THR E C 1 5 +ATOM 7288 O O . THR E 2 186 ? 10.036 -45.249 -47.092 1 80.871 ? 180 THR E O 1 5 +ATOM 7289 C CB . THR E 2 186 ? 10.431 -42.233 -46.929 1 87.369 ? 180 THR E CB 1 5 +ATOM 7290 O OG1 . THR E 2 186 ? 11.17 -41.134 -46.386 1 80.479 ? 180 THR E OG1 1 5 +ATOM 7291 C CG2 . THR E 2 186 ? 9.049 -41.813 -47.43 1 82.661 ? 180 THR E CG2 1 5 +ATOM 7292 N N . LEU E 2 187 ? 8.381 -44.673 -45.674 1 85.756 ? 181 LEU E N 1 5 +ATOM 7293 C CA . LEU E 2 187 ? 7.504 -45.791 -45.97 1 81.212 ? 181 LEU E CA 1 5 +ATOM 7294 C C . LEU E 2 187 ? 6.163 -45.226 -46.355 1 74.18 ? 181 LEU E C 1 5 +ATOM 7295 O O . LEU E 2 187 ? 5.845 -44.113 -45.989 1 71.61 ? 181 LEU E O 1 5 +ATOM 7296 C CB . LEU E 2 187 ? 7.28 -46.724 -44.786 1 83.505 ? 181 LEU E CB 1 5 +ATOM 7297 C CG . LEU E 2 187 ? 8.53 -47.155 -44.02 1 88.821 ? 181 LEU E CG 1 5 +ATOM 7298 C CD1 . LEU E 2 187 ? 8.158 -47.978 -42.812 1 86.702 ? 181 LEU E CD1 1 5 +ATOM 7299 C CD2 . LEU E 2 187 ? 9.424 -47.95 -44.934 1 101.119 ? 181 LEU E CD2 1 5 +ATOM 7300 N N . SER E 2 188 ? 5.388 -46.061 -47.029 1 78.377 ? 182 SER E N 1 5 +ATOM 7301 C CA . SER E 2 188 ? 3.992 -45.784 -47.294 1 80.728 ? 182 SER E CA 1 5 +ATOM 7302 C C . SER E 2 188 ? 3.212 -45.754 -45.973 1 77.802 ? 182 SER E C 1 5 +ATOM 7303 O O . SER E 2 188 ? 3.633 -46.343 -44.977 1 76.465 ? 182 SER E O 1 5 +ATOM 7304 C CB . SER E 2 188 ? 3.482 -46.824 -48.253 1 85.178 ? 182 SER E CB 1 5 +ATOM 7305 O OG . SER E 2 188 ? 2.091 -46.676 -48.447 1 98.805 ? 182 SER E OG 1 5 +ATOM 7306 N N . LYS E 2 189 ? 2.069 -45.058 -45.962 1 79.996 ? 183 LYS E N 1 5 +ATOM 7307 C CA . LYS E 2 189 ? 1.171 -45.037 -44.811 1 89.453 ? 183 LYS E CA 1 5 +ATOM 7308 C C . LYS E 2 189 ? 0.648 -46.451 -44.555 1 91.792 ? 183 LYS E C 1 5 +ATOM 7309 O O . LYS E 2 189 ? 0.521 -46.872 -43.401 1 87.749 ? 183 LYS E O 1 5 +ATOM 7310 C CB . LYS E 2 189 ? -0.02 -44.085 -45.026 1 101.309 ? 183 LYS E CB 1 5 +ATOM 7311 C CG . LYS E 2 189 ? -0.85 -43.783 -43.771 1 108.201 ? 183 LYS E CG 1 5 +ATOM 7312 C CD . LYS E 2 189 ? -2.308 -43.359 -43.935 1 110.433 ? 183 LYS E CD 1 5 +ATOM 7313 C CE . LYS E 2 189 ? -2.825 -43.073 -42.536 1 119.757 ? 183 LYS E CE 1 5 +ATOM 7314 N NZ . LYS E 2 189 ? -4.218 -42.646 -42.362 1 130.155 ? 183 LYS E NZ 1 5 +ATOM 7315 N N . ALA E 2 190 ? 0.326 -47.149 -45.66 1 96.867 ? 184 ALA E N 1 5 +ATOM 7316 C CA . ALA E 2 190 ? -0.156 -48.515 -45.638 1 98.7 ? 184 ALA E CA 1 5 +ATOM 7317 C C . ALA E 2 190 ? 0.875 -49.416 -44.959 1 103.557 ? 184 ALA E C 1 5 +ATOM 7318 O O . ALA E 2 190 ? 0.488 -50.233 -44.124 1 95.086 ? 184 ALA E O 1 5 +ATOM 7319 C CB . ALA E 2 190 ? -0.464 -48.957 -47.06 1 96.389 ? 184 ALA E CB 1 5 +ATOM 7320 N N . ASP E 2 191 ? 2.163 -49.269 -45.342 1 102.074 ? 185 ASP E N 1 5 +ATOM 7321 C CA . ASP E 2 191 ? 3.259 -50.082 -44.837 1 98.48 ? 185 ASP E CA 1 5 +ATOM 7322 C C . ASP E 2 191 ? 3.485 -49.763 -43.373 1 90.798 ? 185 ASP E C 1 5 +ATOM 7323 O O . ASP E 2 191 ? 3.762 -50.673 -42.609 1 93.305 ? 185 ASP E O 1 5 +ATOM 7324 C CB . ASP E 2 191 ? 4.543 -49.912 -45.644 1 113.199 ? 185 ASP E CB 1 5 +ATOM 7325 C CG . ASP E 2 191 ? 4.532 -50.529 -47.042 1 141.436 ? 185 ASP E CG 1 5 +ATOM 7326 O OD1 . ASP E 2 191 ? 4.105 -51.708 -47.169 1 155.793 ? 185 ASP E OD1 1 5 +ATOM 7327 O OD2 . ASP E 2 191 ? 4.957 -49.84 -48.003 1 149.655 ? 185 ASP E OD2 1 5 +ATOM 7328 N N . TYR E 2 192 ? 3.361 -48.479 -43.005 1 98.99 ? 186 TYR E N 1 5 +ATOM 7329 C CA . TYR E 2 192 ? 3.599 -48.036 -41.638 1 88.706 ? 186 TYR E CA 1 5 +ATOM 7330 C C . TYR E 2 192 ? 2.564 -48.667 -40.709 1 83.864 ? 186 TYR E C 1 5 +ATOM 7331 O O . TYR E 2 192 ? 2.953 -49.208 -39.674 1 78.344 ? 186 TYR E O 1 5 +ATOM 7332 C CB . TYR E 2 192 ? 3.616 -46.508 -41.508 1 86.299 ? 186 TYR E CB 1 5 +ATOM 7333 C CG . TYR E 2 192 ? 3.826 -45.993 -40.084 1 87.011 ? 186 TYR E CG 1 5 +ATOM 7334 C CD1 . TYR E 2 192 ? 5.073 -46.052 -39.474 1 82.41 ? 186 TYR E CD1 1 5 +ATOM 7335 C CD2 . TYR E 2 192 ? 2.774 -45.446 -39.33 1 92.418 ? 186 TYR E CD2 1 5 +ATOM 7336 C CE1 . TYR E 2 192 ? 5.262 -45.595 -38.168 1 85.258 ? 186 TYR E CE1 1 5 +ATOM 7337 C CE2 . TYR E 2 192 ? 2.949 -44.968 -38.032 1 79.795 ? 186 TYR E CE2 1 5 +ATOM 7338 C CZ . TYR E 2 192 ? 4.2 -45.051 -37.442 1 80.806 ? 186 TYR E CZ 1 5 +ATOM 7339 O OH . TYR E 2 192 ? 4.37 -44.583 -36.166 1 70.527 ? 186 TYR E OH 1 5 +ATOM 7340 N N . GLU E 2 193 ? 1.274 -48.584 -41.08 1 85.039 ? 187 GLU E N 1 5 +ATOM 7341 C CA . GLU E 2 193 ? 0.183 -49.087 -40.259 1 88.863 ? 187 GLU E CA 1 5 +ATOM 7342 C C . GLU E 2 193 ? 0.276 -50.611 -40.093 1 91.977 ? 187 GLU E C 1 5 +ATOM 7343 O O . GLU E 2 193 ? -0.412 -51.163 -39.238 1 94.941 ? 187 GLU E O 1 5 +ATOM 7344 C CB . GLU E 2 193 ? -1.184 -48.767 -40.885 1 96.139 ? 187 GLU E CB 1 5 +ATOM 7345 C CG . GLU E 2 193 ? -1.579 -47.292 -41.028 1 99.544 ? 187 GLU E CG 1 5 +ATOM 7346 C CD . GLU E 2 193 ? -2.893 -47.023 -41.807 1 110.26 ? 187 GLU E CD 1 5 +ATOM 7347 O OE1 . GLU E 2 193 ? -3.685 -46.195 -41.293 1 117.958 ? 187 GLU E OE1 1 5 +ATOM 7348 O OE2 . GLU E 2 193 ? -3.185 -47.59 -42.907 1 97.537 ? 187 GLU E OE2 1 5 +ATOM 7349 N N . LYS E 2 194 ? 1.104 -51.3 -40.908 1 99.067 ? 188 LYS E N 1 5 +ATOM 7350 C CA . LYS E 2 194 ? 1.162 -52.763 -40.939 1 89.069 ? 188 LYS E CA 1 5 +ATOM 7351 C C . LYS E 2 194 ? 2.139 -53.304 -39.894 1 83.075 ? 188 LYS E C 1 5 +ATOM 7352 O O . LYS E 2 194 ? 1.97 -54.42 -39.445 1 83.67 ? 188 LYS E O 1 5 +ATOM 7353 C CB . LYS E 2 194 ? 1.54 -53.322 -42.325 1 86.588 ? 188 LYS E CB 1 5 +ATOM 7354 C CG . LYS E 2 194 ? 1.173 -54.794 -42.554 1 95.032 ? 188 LYS E CG 1 5 +ATOM 7355 C CD . LYS E 2 194 ? 1.95 -55.623 -43.587 1 106.512 ? 188 LYS E CD 1 5 +ATOM 7356 C CE . LYS E 2 194 ? 1.831 -55.204 -45.025 1 125.054 ? 188 LYS E CE 1 5 +ATOM 7357 N NZ . LYS E 2 194 ? 2.688 -54.111 -45.532 1 139.606 ? 188 LYS E NZ 1 5 +ATOM 7358 N N . HIS E 2 195 ? 3.179 -52.545 -39.521 1 89.759 ? 189 HIS E N 1 5 +ATOM 7359 C CA . HIS E 2 195 ? 4.251 -53.057 -38.668 1 87.684 ? 189 HIS E CA 1 5 +ATOM 7360 C C . HIS E 2 195 ? 4.282 -52.316 -37.332 1 83.678 ? 189 HIS E C 1 5 +ATOM 7361 O O . HIS E 2 195 ? 3.761 -51.206 -37.23 1 100.856 ? 189 HIS E O 1 5 +ATOM 7362 C CB . HIS E 2 195 ? 5.6 -52.977 -39.398 1 87.138 ? 189 HIS E CB 1 5 +ATOM 7363 C CG . HIS E 2 195 ? 5.632 -53.802 -40.638 1 83.072 ? 189 HIS E CG 1 5 +ATOM 7364 N ND1 . HIS E 2 195 ? 5.586 -55.183 -40.611 1 80.238 ? 189 HIS E ND1 1 5 +ATOM 7365 C CD2 . HIS E 2 195 ? 5.625 -53.422 -41.933 1 75.739 ? 189 HIS E CD2 1 5 +ATOM 7366 C CE1 . HIS E 2 195 ? 5.582 -55.619 -41.869 1 82.899 ? 189 HIS E CE1 1 5 +ATOM 7367 N NE2 . HIS E 2 195 ? 5.601 -54.564 -42.687 1 77.995 ? 189 HIS E NE2 1 5 +ATOM 7368 N N . LYS E 2 196 ? 4.931 -52.928 -36.324 1 79.582 ? 190 LYS E N 1 5 +ATOM 7369 C CA . LYS E 2 196 ? 4.881 -52.423 -34.955 1 86.976 ? 190 LYS E CA 1 5 +ATOM 7370 C C . LYS E 2 196 ? 6.191 -51.741 -34.511 1 84.351 ? 190 LYS E C 1 5 +ATOM 7371 O O . LYS E 2 196 ? 6.191 -50.579 -34.107 1 83.378 ? 190 LYS E O 1 5 +ATOM 7372 C CB . LYS E 2 196 ? 4.427 -53.533 -33.997 1 96.046 ? 190 LYS E CB 1 5 +ATOM 7373 C CG . LYS E 2 196 ? 3.961 -53.073 -32.601 1 112.649 ? 190 LYS E CG 1 5 +ATOM 7374 C CD . LYS E 2 196 ? 2.762 -52.113 -32.562 1 130.762 ? 190 LYS E CD 1 5 +ATOM 7375 C CE . LYS E 2 196 ? 2.077 -52 -31.224 1 132.212 ? 190 LYS E CE 1 5 +ATOM 7376 N NZ . LYS E 2 196 ? 2.925 -51.365 -30.211 1 135.193 ? 190 LYS E NZ 1 5 +ATOM 7377 N N . VAL E 2 197 ? 7.313 -52.466 -34.503 1 84.054 ? 191 VAL E N 1 5 +ATOM 7378 C CA . VAL E 2 197 ? 8.56 -51.922 -33.965 1 81.855 ? 191 VAL E CA 1 5 +ATOM 7379 C C . VAL E 2 197 ? 9.404 -51.228 -35.049 1 80.567 ? 191 VAL E C 1 5 +ATOM 7380 O O . VAL E 2 197 ? 9.736 -51.821 -36.074 1 85.682 ? 191 VAL E O 1 5 +ATOM 7381 C CB . VAL E 2 197 ? 9.308 -53.088 -33.285 1 85.45 ? 191 VAL E CB 1 5 +ATOM 7382 C CG1 . VAL E 2 197 ? 10.698 -52.7 -32.791 1 92.009 ? 191 VAL E CG1 1 5 +ATOM 7383 C CG2 . VAL E 2 197 ? 8.481 -53.672 -32.141 1 85.059 ? 191 VAL E CG2 1 5 +ATOM 7384 N N . TYR E 2 198 ? 9.758 -49.955 -34.83 1 75.589 ? 192 TYR E N 1 5 +ATOM 7385 C CA . TYR E 2 198 ? 10.637 -49.208 -35.738 1 77.737 ? 192 TYR E CA 1 5 +ATOM 7386 C C . TYR E 2 198 ? 11.929 -48.84 -35.001 1 68.776 ? 192 TYR E C 1 5 +ATOM 7387 O O . TYR E 2 198 ? 11.853 -48.223 -33.945 1 60.164 ? 192 TYR E O 1 5 +ATOM 7388 C CB . TYR E 2 198 ? 9.947 -47.936 -36.274 1 76.528 ? 192 TYR E CB 1 5 +ATOM 7389 C CG . TYR E 2 198 ? 8.757 -48.282 -37.152 1 69.65 ? 192 TYR E CG 1 5 +ATOM 7390 C CD1 . TYR E 2 198 ? 7.528 -48.617 -36.589 1 71.074 ? 192 TYR E CD1 1 5 +ATOM 7391 C CD2 . TYR E 2 198 ? 8.888 -48.349 -38.53 1 70.61 ? 192 TYR E CD2 1 5 +ATOM 7392 C CE1 . TYR E 2 198 ? 6.455 -49.015 -37.372 1 77.313 ? 192 TYR E CE1 1 5 +ATOM 7393 C CE2 . TYR E 2 198 ? 7.816 -48.709 -39.33 1 78.257 ? 192 TYR E CE2 1 5 +ATOM 7394 C CZ . TYR E 2 198 ? 6.599 -49.044 -38.752 1 81.203 ? 192 TYR E CZ 1 5 +ATOM 7395 O OH . TYR E 2 198 ? 5.537 -49.426 -39.514 1 79.369 ? 192 TYR E OH 1 5 +ATOM 7396 N N . ALA E 2 199 ? 13.109 -49.126 -35.581 1 66.228 ? 193 ALA E N 1 5 +ATOM 7397 C CA . ALA E 2 199 ? 14.359 -48.867 -34.866 1 70.409 ? 193 ALA E CA 1 5 +ATOM 7398 C C . ALA E 2 199 ? 15.558 -48.517 -35.757 1 69.195 ? 193 ALA E C 1 5 +ATOM 7399 O O . ALA E 2 199 ? 15.617 -48.967 -36.895 1 68.939 ? 193 ALA E O 1 5 +ATOM 7400 C CB . ALA E 2 199 ? 14.675 -50.072 -34.031 1 68.366 ? 193 ALA E CB 1 5 +ATOM 7401 N N . CYS E 2 200 ? 16.522 -47.74 -35.209 1 68.271 ? 194 CYS E N 1 5 +ATOM 7402 C CA . CYS E 2 200 ? 17.812 -47.502 -35.862 1 70.6 ? 194 CYS E CA 1 5 +ATOM 7403 C C . CYS E 2 200 ? 18.972 -47.953 -34.968 1 75.294 ? 194 CYS E C 1 5 +ATOM 7404 O O . CYS E 2 200 ? 19.072 -47.574 -33.799 1 78.127 ? 194 CYS E O 1 5 +ATOM 7405 C CB . CYS E 2 200 ? 17.994 -46.095 -36.451 1 65.152 ? 194 CYS E CB 1 5 +ATOM 7406 S SG . CYS E 2 200 ? 17.901 -44.728 -35.276 0.7 65.566 ? 194 CYS E SG 1 5 +ATOM 7407 N N . GLU E 2 201 ? 19.848 -48.776 -35.563 1 76.744 ? 195 GLU E N 1 5 +ATOM 7408 C CA . GLU E 2 201 ? 20.997 -49.364 -34.9 1 91.278 ? 195 GLU E CA 1 5 +ATOM 7409 C C . GLU E 2 201 ? 22.234 -48.584 -35.344 1 89.589 ? 195 GLU E C 1 5 +ATOM 7410 O O . GLU E 2 201 ? 22.731 -48.774 -36.457 1 87 ? 195 GLU E O 1 5 +ATOM 7411 C CB . GLU E 2 201 ? 21.109 -50.867 -35.204 1 117.082 ? 195 GLU E CB 1 5 +ATOM 7412 C CG . GLU E 2 201 ? 22.103 -51.611 -34.31 1 133.337 ? 195 GLU E CG 1 5 +ATOM 7413 C CD . GLU E 2 201 ? 22.379 -53.084 -34.578 1 131.22 ? 195 GLU E CD 1 5 +ATOM 7414 O OE1 . GLU E 2 201 ? 23.208 -53.426 -35.445 1 117.892 ? 195 GLU E OE1 1 5 +ATOM 7415 O OE2 . GLU E 2 201 ? 21.758 -53.912 -33.887 1 143.841 ? 195 GLU E OE2 1 5 +ATOM 7416 N N . VAL E 2 202 ? 22.734 -47.738 -34.427 1 84.756 ? 196 VAL E N 1 5 +ATOM 7417 C CA . VAL E 2 202 ? 23.868 -46.868 -34.676 1 76.822 ? 196 VAL E CA 1 5 +ATOM 7418 C C . VAL E 2 202 ? 25.13 -47.554 -34.189 1 73.905 ? 196 VAL E C 1 5 +ATOM 7419 O O . VAL E 2 202 ? 25.254 -47.913 -33.029 1 58.537 ? 196 VAL E O 1 5 +ATOM 7420 C CB . VAL E 2 202 ? 23.727 -45.49 -34.015 1 81.924 ? 196 VAL E CB 1 5 +ATOM 7421 C CG1 . VAL E 2 202 ? 25.026 -44.695 -34.082 1 78.349 ? 196 VAL E CG1 1 5 +ATOM 7422 C CG2 . VAL E 2 202 ? 22.603 -44.692 -34.663 1 94.68 ? 196 VAL E CG2 1 5 +ATOM 7423 N N . THR E 2 203 ? 26.066 -47.709 -35.123 1 87.286 ? 197 THR E N 1 5 +ATOM 7424 C CA . THR E 2 203 ? 27.355 -48.318 -34.864 1 86.285 ? 197 THR E CA 1 5 +ATOM 7425 C C . THR E 2 203 ? 28.407 -47.239 -35.048 1 73.288 ? 197 THR E C 1 5 +ATOM 7426 O O . THR E 2 203 ? 28.567 -46.741 -36.143 1 63.307 ? 197 THR E O 1 5 +ATOM 7427 C CB . THR E 2 203 ? 27.569 -49.467 -35.85 1 89.339 ? 197 THR E CB 1 5 +ATOM 7428 O OG1 . THR E 2 203 ? 26.428 -50.318 -35.759 1 92.537 ? 197 THR E OG1 1 5 +ATOM 7429 C CG2 . THR E 2 203 ? 28.844 -50.231 -35.552 1 90.71 ? 197 THR E CG2 1 5 +ATOM 7430 N N . HIS E 2 204 ? 29.12 -46.884 -33.983 1 74.544 ? 198 HIS E N 1 5 +ATOM 7431 C CA . HIS E 2 204 ? 30.184 -45.895 -34.092 1 75.003 ? 198 HIS E CA 1 5 +ATOM 7432 C C . HIS E 2 204 ? 31.396 -46.347 -33.27 1 80.981 ? 198 HIS E C 1 5 +ATOM 7433 O O . HIS E 2 204 ? 31.272 -47.127 -32.334 1 95.096 ? 198 HIS E O 1 5 +ATOM 7434 C CB . HIS E 2 204 ? 29.658 -44.515 -33.676 1 75.696 ? 198 HIS E CB 1 5 +ATOM 7435 C CG . HIS E 2 204 ? 30.636 -43.418 -33.913 1 76.203 ? 198 HIS E CG 1 5 +ATOM 7436 N ND1 . HIS E 2 204 ? 31.372 -42.795 -32.918 1 77.33 ? 198 HIS E ND1 1 5 +ATOM 7437 C CD2 . HIS E 2 204 ? 30.997 -42.84 -35.055 1 78.193 ? 198 HIS E CD2 1 5 +ATOM 7438 C CE1 . HIS E 2 204 ? 32.162 -41.868 -33.449 1 73.386 ? 198 HIS E CE1 1 5 +ATOM 7439 N NE2 . HIS E 2 204 ? 31.96 -41.882 -34.75 1 71.516 ? 198 HIS E NE2 1 5 +ATOM 7440 N N . GLN E 2 205 ? 32.572 -45.82 -33.613 1 77.039 ? 199 GLN E N 1 5 +ATOM 7441 C CA . GLN E 2 205 ? 33.821 -46.116 -32.927 1 72.519 ? 199 GLN E CA 1 5 +ATOM 7442 C C . GLN E 2 205 ? 33.841 -45.628 -31.476 1 74.097 ? 199 GLN E C 1 5 +ATOM 7443 O O . GLN E 2 205 ? 34.554 -46.162 -30.625 1 82.233 ? 199 GLN E O 1 5 +ATOM 7444 C CB . GLN E 2 205 ? 34.891 -45.407 -33.75 1 78.647 ? 199 GLN E CB 1 5 +ATOM 7445 C CG . GLN E 2 205 ? 36.303 -45.482 -33.174 1 86.923 ? 199 GLN E CG 1 5 +ATOM 7446 C CD . GLN E 2 205 ? 37.324 -44.95 -34.143 1 93.603 ? 199 GLN E CD 1 5 +ATOM 7447 O OE1 . GLN E 2 205 ? 36.991 -44.624 -35.29 1 99.134 ? 199 GLN E OE1 1 5 +ATOM 7448 N NE2 . GLN E 2 205 ? 38.572 -44.919 -33.695 1 98.428 ? 199 GLN E NE2 1 5 +ATOM 7449 N N . GLY E 2 206 ? 33.06 -44.597 -31.175 1 76.335 ? 200 GLY E N 1 5 +ATOM 7450 C CA . GLY E 2 206 ? 33.005 -44.066 -29.821 1 82.175 ? 200 GLY E CA 1 5 +ATOM 7451 C C . GLY E 2 206 ? 32 -44.816 -28.953 1 79.322 ? 200 GLY E C 1 5 +ATOM 7452 O O . GLY E 2 206 ? 31.903 -44.541 -27.763 1 89.275 ? 200 GLY E O 1 5 +ATOM 7453 N N . LEU E 2 207 ? 31.236 -45.725 -29.562 1 70.478 ? 201 LEU E N 1 5 +ATOM 7454 C CA . LEU E 2 207 ? 30.357 -46.609 -28.825 1 80.327 ? 201 LEU E CA 1 5 +ATOM 7455 C C . LEU E 2 207 ? 31.05 -47.942 -28.567 1 87.709 ? 201 LEU E C 1 5 +ATOM 7456 O O . LEU E 2 207 ? 31.649 -48.511 -29.471 1 100.304 ? 201 LEU E O 1 5 +ATOM 7457 C CB . LEU E 2 207 ? 29.114 -46.81 -29.685 1 79.425 ? 201 LEU E CB 1 5 +ATOM 7458 C CG . LEU E 2 207 ? 28.339 -45.539 -30.014 1 68.127 ? 201 LEU E CG 1 5 +ATOM 7459 C CD1 . LEU E 2 207 ? 27.269 -45.884 -31.001 1 67.227 ? 201 LEU E CD1 1 5 +ATOM 7460 C CD2 . LEU E 2 207 ? 27.79 -44.906 -28.754 1 64.723 ? 201 LEU E CD2 1 5 +ATOM 7461 N N . SER E 2 208 ? 30.89 -48.48 -27.357 1 91.278 ? 202 SER E N 1 5 +ATOM 7462 C CA . SER E 2 208 ? 31.356 -49.826 -27.059 1 91.894 ? 202 SER E CA 1 5 +ATOM 7463 C C . SER E 2 208 ? 30.528 -50.855 -27.83 1 88.15 ? 202 SER E C 1 5 +ATOM 7464 O O . SER E 2 208 ? 31.079 -51.784 -28.398 1 85.8 ? 202 SER E O 1 5 +ATOM 7465 C CB . SER E 2 208 ? 31.33 -50.082 -25.579 1 91.897 ? 202 SER E CB 1 5 +ATOM 7466 O OG . SER E 2 208 ? 30.035 -49.832 -25.05 1 99.366 ? 202 SER E OG 1 5 +ATOM 7467 N N . SER E 2 209 ? 29.202 -50.681 -27.866 1 90.158 ? 203 SER E N 1 5 +ATOM 7468 C CA . SER E 2 209 ? 28.333 -51.567 -28.617 1 92.166 ? 203 SER E CA 1 5 +ATOM 7469 C C . SER E 2 209 ? 27.297 -50.744 -29.368 1 82.971 ? 203 SER E C 1 5 +ATOM 7470 O O . SER E 2 209 ? 26.977 -49.636 -28.961 1 78.336 ? 203 SER E O 1 5 +ATOM 7471 C CB . SER E 2 209 ? 27.681 -52.584 -27.705 1 94.269 ? 203 SER E CB 1 5 +ATOM 7472 O OG . SER E 2 209 ? 26.869 -51.932 -26.75 1 109.415 ? 203 SER E OG 1 5 +ATOM 7473 N N . PRO E 2 210 ? 26.732 -51.276 -30.471 1 88.602 ? 204 PRO E N 1 5 +ATOM 7474 C CA . PRO E 2 210 ? 25.666 -50.611 -31.211 1 89.325 ? 204 PRO E CA 1 5 +ATOM 7475 C C . PRO E 2 210 ? 24.483 -50.207 -30.343 1 86.752 ? 204 PRO E C 1 5 +ATOM 7476 O O . PRO E 2 210 ? 23.77 -51.043 -29.793 1 91.223 ? 204 PRO E O 1 5 +ATOM 7477 C CB . PRO E 2 210 ? 25.229 -51.614 -32.282 1 91.951 ? 204 PRO E CB 1 5 +ATOM 7478 C CG . PRO E 2 210 ? 26.342 -52.625 -32.385 1 96.672 ? 204 PRO E CG 1 5 +ATOM 7479 C CD . PRO E 2 210 ? 27.104 -52.559 -31.074 1 96.82 ? 204 PRO E CD 1 5 +ATOM 7480 N N . VAL E 2 211 ? 24.262 -48.894 -30.294 1 87.323 ? 205 VAL E N 1 5 +ATOM 7481 C CA . VAL E 2 211 ? 23.089 -48.306 -29.67 1 92.048 ? 205 VAL E CA 1 5 +ATOM 7482 C C . VAL E 2 211 ? 21.889 -48.47 -30.604 1 94.909 ? 205 VAL E C 1 5 +ATOM 7483 O O . VAL E 2 211 ? 22.006 -48.267 -31.81 1 87.116 ? 205 VAL E O 1 5 +ATOM 7484 C CB . VAL E 2 211 ? 23.411 -46.823 -29.386 1 88.907 ? 205 VAL E CB 1 5 +ATOM 7485 C CG1 . VAL E 2 211 ? 22.187 -45.977 -29.023 1 89.798 ? 205 VAL E CG1 1 5 +ATOM 7486 C CG2 . VAL E 2 211 ? 24.505 -46.7 -28.329 1 80.404 ? 205 VAL E CG2 1 5 +ATOM 7487 N N . THR E 2 212 ? 20.73 -48.827 -30.04 1 90.285 ? 206 THR E N 1 5 +ATOM 7488 C CA . THR E 2 212 ? 19.5 -48.915 -30.811 1 87.342 ? 206 THR E CA 1 5 +ATOM 7489 C C . THR E 2 212 ? 18.464 -47.966 -30.213 1 86.366 ? 206 THR E C 1 5 +ATOM 7490 O O . THR E 2 212 ? 18.199 -48.011 -29.015 1 97.293 ? 206 THR E O 1 5 +ATOM 7491 C CB . THR E 2 212 ? 19.011 -50.362 -30.784 1 90.319 ? 206 THR E CB 1 5 +ATOM 7492 O OG1 . THR E 2 212 ? 20.035 -51.165 -31.381 1 97.034 ? 206 THR E OG1 1 5 +ATOM 7493 C CG2 . THR E 2 212 ? 17.669 -50.518 -31.476 1 88.101 ? 206 THR E CG2 1 5 +ATOM 7494 N N . LYS E 2 213 ? 17.879 -47.094 -31.036 1 77.243 ? 207 LYS E N 1 5 +ATOM 7495 C CA . LYS E 2 213 ? 16.733 -46.322 -30.589 1 81.036 ? 207 LYS E CA 1 5 +ATOM 7496 C C . LYS E 2 213 ? 15.488 -46.86 -31.298 1 82.448 ? 207 LYS E C 1 5 +ATOM 7497 O O . LYS E 2 213 ? 15.477 -47.036 -32.509 1 67.454 ? 207 LYS E O 1 5 +ATOM 7498 C CB . LYS E 2 213 ? 16.894 -44.817 -30.827 1 76.667 ? 207 LYS E CB 1 5 +ATOM 7499 C CG . LYS E 2 213 ? 18.038 -44.146 -30.085 1 88.574 ? 207 LYS E CG 1 5 +ATOM 7500 C CD . LYS E 2 213 ? 18 -44.238 -28.566 1 97.709 ? 207 LYS E CD 1 5 +ATOM 7501 C CE . LYS E 2 213 ? 19.269 -43.696 -27.976 1 107.36 ? 207 LYS E CE 1 5 +ATOM 7502 N NZ . LYS E 2 213 ? 19.265 -43.516 -26.522 1 116.241 ? 207 LYS E NZ 1 5 +ATOM 7503 N N . SER E 2 214 ? 14.434 -47.147 -30.531 1 80.768 ? 208 SER E N 1 5 +ATOM 7504 C CA . SER E 2 214 ? 13.233 -47.716 -31.11 1 78.612 ? 208 SER E CA 1 5 +ATOM 7505 C C . SER E 2 214 ? 11.962 -47.079 -30.551 1 77.75 ? 208 SER E C 1 5 +ATOM 7506 O O . SER E 2 214 ? 11.989 -46.345 -29.564 1 68.833 ? 208 SER E O 1 5 +ATOM 7507 C CB . SER E 2 214 ? 13.205 -49.197 -30.884 1 83.915 ? 208 SER E CB 1 5 +ATOM 7508 O OG . SER E 2 214 ? 13.111 -49.473 -29.5 1 90.446 ? 208 SER E OG 1 5 +ATOM 7509 N N . PHE E 2 215 ? 10.843 -47.397 -31.224 1 80.471 ? 209 PHE E N 1 5 +ATOM 7510 C CA . PHE E 2 215 ? 9.504 -47.071 -30.764 1 75.989 ? 209 PHE E CA 1 5 +ATOM 7511 C C . PHE E 2 215 ? 8.491 -48.03 -31.38 1 79.125 ? 209 PHE E C 1 5 +ATOM 7512 O O . PHE E 2 215 ? 8.714 -48.589 -32.441 1 77.647 ? 209 PHE E O 1 5 +ATOM 7513 C CB . PHE E 2 215 ? 9.132 -45.636 -31.128 1 79.008 ? 209 PHE E CB 1 5 +ATOM 7514 C CG . PHE E 2 215 ? 8.89 -45.354 -32.602 1 79.597 ? 209 PHE E CG 1 5 +ATOM 7515 C CD1 . PHE E 2 215 ? 9.932 -44.941 -33.424 1 84.291 ? 209 PHE E CD1 1 5 +ATOM 7516 C CD2 . PHE E 2 215 ? 7.621 -45.453 -33.147 1 77.911 ? 209 PHE E CD2 1 5 +ATOM 7517 C CE1 . PHE E 2 215 ? 9.712 -44.672 -34.763 1 84.809 ? 209 PHE E CE1 1 5 +ATOM 7518 C CE2 . PHE E 2 215 ? 7.402 -45.169 -34.487 1 83.847 ? 209 PHE E CE2 1 5 +ATOM 7519 C CZ . PHE E 2 215 ? 8.445 -44.79 -35.296 1 83.271 ? 209 PHE E CZ 1 5 +ATOM 7520 N N . ASN E 2 216 ? 7.377 -48.228 -30.679 1 93.759 ? 210 ASN E N 1 5 +ATOM 7521 C CA . ASN E 2 216 ? 6.263 -49.041 -31.146 1 96.401 ? 210 ASN E CA 1 5 +ATOM 7522 C C . ASN E 2 216 ? 5.197 -48.098 -31.701 1 94.97 ? 210 ASN E C 1 5 +ATOM 7523 O O . ASN E 2 216 ? 4.877 -47.09 -31.076 1 106.591 ? 210 ASN E O 1 5 +ATOM 7524 C CB . ASN E 2 216 ? 5.627 -49.856 -30.023 1 96.986 ? 210 ASN E CB 1 5 +ATOM 7525 C CG . ASN E 2 216 ? 6.61 -50.665 -29.225 1 97.426 ? 210 ASN E CG 1 5 +ATOM 7526 O OD1 . ASN E 2 216 ? 7.415 -51.385 -29.817 1 99.996 ? 210 ASN E OD1 1 5 +ATOM 7527 N ND2 . ASN E 2 216 ? 6.541 -50.581 -27.901 1 103.28 ? 210 ASN E ND2 1 5 +ATOM 7528 N N . ARG E 2 217 ? 4.63 -48.425 -32.862 1 94.989 ? 211 ARG E N 1 5 +ATOM 7529 C CA . ARG E 2 217 ? 3.578 -47.59 -33.433 1 97.816 ? 211 ARG E CA 1 5 +ATOM 7530 C C . ARG E 2 217 ? 2.344 -47.656 -32.525 1 103.627 ? 211 ARG E C 1 5 +ATOM 7531 O O . ARG E 2 217 ? 1.773 -48.729 -32.353 1 100.132 ? 211 ARG E O 1 5 +ATOM 7532 C CB . ARG E 2 217 ? 3.293 -47.979 -34.888 1 92.773 ? 211 ARG E CB 1 5 +ATOM 7533 C CG . ARG E 2 217 ? 2.022 -47.373 -35.471 1 92.352 ? 211 ARG E CG 1 5 +ATOM 7534 C CD . ARG E 2 217 ? 1.603 -48.079 -36.757 1 94.485 ? 211 ARG E CD 1 5 +ATOM 7535 N NE . ARG E 2 217 ? 1.489 -49.535 -36.598 1 102.21 ? 211 ARG E NE 1 5 +ATOM 7536 C CZ . ARG E 2 217 ? 0.474 -50.179 -36.033 1 103.933 ? 211 ARG E CZ 1 5 +ATOM 7537 N NH1 . ARG E 2 217 ? -0.551 -49.48 -35.597 1 111.432 ? 211 ARG E NH1 1 5 +ATOM 7538 N NH2 . ARG E 2 217 ? 0.484 -51.497 -35.881 1 100.338 ? 211 ARG E NH2 1 5 +ATOM 7539 N N . GLY E 2 218 ? 1.96 -46.492 -31.976 1 120.119 ? 212 GLY E N 1 5 +ATOM 7540 C CA . GLY E 2 218 ? 0.935 -46.367 -30.952 1 121.009 ? 212 GLY E CA 1 5 +ATOM 7541 C C . GLY E 2 218 ? 1.594 -46.092 -29.605 1 125.08 ? 212 GLY E C 1 5 +ATOM 7542 O O . GLY E 2 218 ? 1.456 -46.89 -28.67 1 102.315 ? 212 GLY E O 1 5 +ATOM 7543 N N . GLU E 2 219 ? 2.359 -44.984 -29.564 1 133.54 ? 213 GLU E N 1 5 +ATOM 7544 C CA . GLU E 2 219 ? 3.17 -44.593 -28.418 1 142.592 ? 213 GLU E CA 1 5 +ATOM 7545 C C . GLU E 2 219 ? 3.268 -43.066 -28.406 1 138.098 ? 213 GLU E C 1 5 +ATOM 7546 O O . GLU E 2 219 ? 2.33 -42.398 -28.84 1 105.509 ? 213 GLU E O 1 5 +ATOM 7547 C CB . GLU E 2 219 ? 4.55 -45.282 -28.407 1 144.148 ? 213 GLU E CB 1 5 +ATOM 7548 C CG . GLU E 2 219 ? 4.683 -46.527 -27.518 1 137.984 ? 213 GLU E CG 1 5 +ATOM 7549 C CD . GLU E 2 219 ? 6.122 -47.016 -27.301 1 120.515 ? 213 GLU E CD 1 5 +ATOM 7550 O OE1 . GLU E 2 219 ? 6.363 -48.066 -26.656 1 111.822 ? 213 GLU E OE1 1 5 +ATOM 7551 O OE2 . GLU E 2 219 ? 7.037 -46.302 -27.759 1 92.798 ? 213 GLU E OE2 1 5 +ATOM 7552 N N . CYS E 2 220 ? 4.409 -42.564 -27.884 1 167.239 ? 214 CYS E N 1 5 +ATOM 7553 C CA . CYS E 2 220 ? 4.75 -41.155 -27.719 1 172.541 ? 214 CYS E CA 1 5 +ATOM 7554 C C . CYS E 2 220 ? 6.025 -40.832 -28.542 1 164.535 ? 214 CYS E C 1 5 +ATOM 7555 O O . CYS E 2 220 ? 6.992 -41.638 -28.468 1 145.852 ? 214 CYS E O 1 5 +ATOM 7556 C CB . CYS E 2 220 ? 4.999 -40.816 -26.244 1 156.941 ? 214 CYS E CB 1 5 +ATOM 7557 S SG . CYS E 2 220 ? 3.546 -40.803 -25.149 1 131.605 ? 214 CYS E SG 1 5 +ATOM 7558 O OXT . CYS E 2 220 ? 6.019 -39.785 -29.235 1 149.591 ? 214 CYS E OXT 1 5 +ATOM 7559 N N . ASN F 3 1 ? 48.53 -1.298 -64.003 1 131.286 ? 1 ASN F N 1 6 +ATOM 7560 C CA . ASN F 3 1 ? 49.687 -1.126 -64.93 1 124.933 ? 1 ASN F CA 1 6 +ATOM 7561 C C . ASN F 3 1 ? 49.167 -1.159 -66.373 1 117.485 ? 1 ASN F C 1 6 +ATOM 7562 O O . ASN F 3 1 ? 48.008 -1.497 -66.639 1 122.669 ? 1 ASN F O 1 6 +ATOM 7563 C CB . ASN F 3 1 ? 50.816 -2.116 -64.622 1 123.239 ? 1 ASN F CB 1 6 +ATOM 7564 C CG . ASN F 3 1 ? 51.686 -1.704 -63.447 1 128.829 ? 1 ASN F CG 1 6 +ATOM 7565 O OD1 . ASN F 3 1 ? 51.325 -1.868 -62.268 1 116.903 ? 1 ASN F OD1 1 6 +ATOM 7566 N ND2 . ASN F 3 1 ? 52.871 -1.196 -63.756 1 130.929 ? 1 ASN F ND2 1 6 +ATOM 7567 N N . LYS F 3 2 ? 50.038 -0.746 -67.3 1 103.738 ? 2 LYS F N 1 6 +ATOM 7568 C CA . LYS F 3 2 ? 49.715 -0.616 -68.714 1 98.913 ? 2 LYS F CA 1 6 +ATOM 7569 C C . LYS F 3 2 ? 50.939 -1.019 -69.543 1 92.198 ? 2 LYS F C 1 6 +ATOM 7570 O O . LYS F 3 2 ? 52.063 -1 -69.076 1 103.665 ? 2 LYS F O 1 6 +ATOM 7571 C CB . LYS F 3 2 ? 49.319 0.838 -69.008 1 103.003 ? 2 LYS F CB 1 6 +ATOM 7572 C CG . LYS F 3 2 ? 47.968 1.333 -68.48 1 106.571 ? 2 LYS F CG 1 6 +ATOM 7573 C CD . LYS F 3 2 ? 46.734 0.744 -69.162 1 103.187 ? 2 LYS F CD 1 6 +ATOM 7574 C CE . LYS F 3 2 ? 45.42 1.426 -68.736 1 92.741 ? 2 LYS F CE 1 6 +ATOM 7575 N NZ . LYS F 3 2 ? 44.175 1.072 -69.444 1 83.609 ? 2 LYS F NZ 1 6 +ATOM 7576 N N . ILE F 3 3 ? 50.754 -1.392 -70.805 1 84.353 ? 3 ILE F N 1 6 +ATOM 7577 C CA . ILE F 3 3 ? 51.883 -1.67 -71.676 1 84.527 ? 3 ILE F CA 1 6 +ATOM 7578 C C . ILE F 3 3 ? 52.287 -0.358 -72.325 1 79.347 ? 3 ILE F C 1 6 +ATOM 7579 O O . ILE F 3 3 ? 51.433 0.442 -72.612 1 77.513 ? 3 ILE F O 1 6 +ATOM 7580 C CB . ILE F 3 3 ? 51.494 -2.711 -72.736 1 94.886 ? 3 ILE F CB 1 6 +ATOM 7581 C CG1 . ILE F 3 3 ? 50.944 -3.977 -72.092 1 109.171 ? 3 ILE F CG1 1 6 +ATOM 7582 C CG2 . ILE F 3 3 ? 52.674 -3.03 -73.648 1 92.924 ? 3 ILE F CG2 1 6 +ATOM 7583 C CD1 . ILE F 3 3 ? 49.888 -4.667 -72.935 1 125.137 ? 3 ILE F CD1 1 6 +ATOM 7584 N N . LEU F 3 4 ? 53.573 -0.131 -72.588 1 82.79 ? 4 LEU F N 1 6 +ATOM 7585 C CA . LEU F 3 4 ? 53.995 1.098 -73.26 1 85.739 ? 4 LEU F CA 1 6 +ATOM 7586 C C . LEU F 3 4 ? 54.108 0.865 -74.761 1 78.729 ? 4 LEU F C 1 6 +ATOM 7587 O O . LEU F 3 4 ? 54.419 -0.24 -75.179 1 80.839 ? 4 LEU F O 1 6 +ATOM 7588 C CB . LEU F 3 4 ? 55.321 1.612 -72.706 1 93.035 ? 4 LEU F CB 1 6 +ATOM 7589 C CG . LEU F 3 4 ? 55.256 2.116 -71.263 1 99.375 ? 4 LEU F CG 1 6 +ATOM 7590 C CD1 . LEU F 3 4 ? 56.638 2.375 -70.687 1 106.212 ? 4 LEU F CD1 1 6 +ATOM 7591 C CD2 . LEU F 3 4 ? 54.334 3.346 -71.232 1 97.59 ? 4 LEU F CD2 1 6 +ATOM 7592 N N . VAL F 3 5 ? 53.909 1.92 -75.565 1 78.402 ? 5 VAL F N 1 6 +ATOM 7593 C CA . VAL F 3 5 ? 53.888 1.747 -77.013 1 78.963 ? 5 VAL F CA 1 6 +ATOM 7594 C C . VAL F 3 5 ? 54.739 2.83 -77.658 1 79.662 ? 5 VAL F C 1 6 +ATOM 7595 O O . VAL F 3 5 ? 54.392 3.989 -77.538 1 103.274 ? 5 VAL F O 1 6 +ATOM 7596 C CB . VAL F 3 5 ? 52.475 1.765 -77.625 1 79.902 ? 5 VAL F CB 1 6 +ATOM 7597 C CG1 . VAL F 3 5 ? 52.317 0.668 -78.654 1 80.659 ? 5 VAL F CG1 1 6 +ATOM 7598 C CG2 . VAL F 3 5 ? 51.389 1.594 -76.576 1 88.04 ? 5 VAL F CG2 1 6 +ATOM 7599 N N . LYS F 3 6 ? 55.807 2.443 -78.375 1 84.738 ? 6 LYS F N 1 6 +ATOM 7600 C CA . LYS F 3 6 ? 56.651 3.357 -79.143 1 85.984 ? 6 LYS F CA 1 6 +ATOM 7601 C C . LYS F 3 6 ? 56.421 3.055 -80.624 1 76.723 ? 6 LYS F C 1 6 +ATOM 7602 O O . LYS F 3 6 ? 56.619 1.927 -81.036 1 78.597 ? 6 LYS F O 1 6 +ATOM 7603 C CB . LYS F 3 6 ? 58.157 3.282 -78.819 1 91.215 ? 6 LYS F CB 1 6 +ATOM 7604 C CG . LYS F 3 6 ? 58.567 3.24 -77.334 1 111.411 ? 6 LYS F CG 1 6 +ATOM 7605 C CD . LYS F 3 6 ? 58.63 1.841 -76.698 1 119.875 ? 6 LYS F CD 1 6 +ATOM 7606 C CE . LYS F 3 6 ? 58.685 1.776 -75.177 1 110.189 ? 6 LYS F CE 1 6 +ATOM 7607 N NZ . LYS F 3 6 ? 58.439 0.39 -74.744 1 109.418 ? 6 LYS F NZ 1 6 +ATOM 7608 N N . GLN F 3 7 ? 55.979 4.042 -81.411 1 71.703 ? 7 GLN F N 1 6 +ATOM 7609 C CA . GLN F 3 7 ? 55.912 3.893 -82.855 1 72.006 ? 7 GLN F CA 1 6 +ATOM 7610 C C . GLN F 3 7 ? 56.375 5.173 -83.532 1 77.486 ? 7 GLN F C 1 6 +ATOM 7611 O O . GLN F 3 7 ? 56.216 6.249 -82.961 1 79.602 ? 7 GLN F O 1 6 +ATOM 7612 C CB . GLN F 3 7 ? 54.477 3.613 -83.271 1 74.933 ? 7 GLN F CB 1 6 +ATOM 7613 C CG . GLN F 3 7 ? 53.475 4.474 -82.518 1 79.172 ? 7 GLN F CG 1 6 +ATOM 7614 C CD . GLN F 3 7 ? 52.056 4.21 -82.939 1 74.691 ? 7 GLN F CD 1 6 +ATOM 7615 O OE1 . GLN F 3 7 ? 51.136 4.197 -82.123 1 72.057 ? 7 GLN F OE1 1 6 +ATOM 7616 N NE2 . GLN F 3 7 ? 51.875 4.052 -84.24 1 73.295 ? 7 GLN F NE2 1 6 +ATOM 7617 N N . SER F 3 8 ? 56.936 5.043 -84.749 1 85.812 ? 8 SER F N 1 6 +ATOM 7618 C CA . SER F 3 8 ? 57.472 6.177 -85.498 1 81.128 ? 8 SER F CA 1 6 +ATOM 7619 C C . SER F 3 8 ? 56.449 7.287 -85.517 1 76.434 ? 8 SER F C 1 6 +ATOM 7620 O O . SER F 3 8 ? 55.263 7.003 -85.688 1 73.557 ? 8 SER F O 1 6 +ATOM 7621 C CB . SER F 3 8 ? 57.874 5.846 -86.908 1 77.795 ? 8 SER F CB 1 6 +ATOM 7622 O OG . SER F 3 8 ? 59.283 5.656 -86.988 1 101.316 ? 8 SER F OG 1 6 +ATOM 7623 N N . PRO F 3 9 ? 56.88 8.558 -85.365 1 79.926 ? 9 PRO F N 1 6 +ATOM 7624 C CA . PRO F 3 9 ? 55.941 9.671 -85.404 1 81.053 ? 9 PRO F CA 1 6 +ATOM 7625 C C . PRO F 3 9 ? 55.428 9.912 -86.824 1 80.022 ? 9 PRO F C 1 6 +ATOM 7626 O O . PRO F 3 9 ? 54.298 10.332 -86.994 1 76.822 ? 9 PRO F O 1 6 +ATOM 7627 C CB . PRO F 3 9 ? 56.785 10.804 -84.833 1 82.186 ? 9 PRO F CB 1 6 +ATOM 7628 C CG . PRO F 3 9 ? 58.196 10.491 -85.31 1 89.316 ? 9 PRO F CG 1 6 +ATOM 7629 C CD . PRO F 3 9 ? 58.279 8.99 -85.197 1 87.072 ? 9 PRO F CD 1 6 +ATOM 7630 N N . MET F 3 10 ? 56.229 9.583 -87.844 1 81.539 ? 10 MET F N 1 6 +ATOM 7631 C CA . MET F 3 10 ? 55.881 9.88 -89.217 1 83.742 ? 10 MET F CA 1 6 +ATOM 7632 C C . MET F 3 10 ? 56.391 8.766 -90.12 1 86.122 ? 10 MET F C 1 6 +ATOM 7633 O O . MET F 3 10 ? 57.492 8.282 -89.896 1 102.201 ? 10 MET F O 1 6 +ATOM 7634 C CB . MET F 3 10 ? 56.553 11.196 -89.628 1 95.659 ? 10 MET F CB 1 6 +ATOM 7635 C CG . MET F 3 10 ? 56.403 11.574 -91.102 1 99.795 ? 10 MET F CG 1 6 +ATOM 7636 S SD . MET F 3 10 ? 54.689 11.922 -91.533 0.68 95.427 ? 10 MET F SD 1 6 +ATOM 7637 C CE . MET F 3 10 ? 54.534 13.507 -90.689 1 94.056 ? 10 MET F CE 1 6 +ATOM 7638 N N . LEU F 3 11 ? 55.602 8.413 -91.146 1 78.501 ? 11 LEU F N 1 6 +ATOM 7639 C CA . LEU F 3 11 ? 55.996 7.456 -92.167 1 79.424 ? 11 LEU F CA 1 6 +ATOM 7640 C C . LEU F 3 11 ? 55.458 7.895 -93.52 1 90.289 ? 11 LEU F C 1 6 +ATOM 7641 O O . LEU F 3 11 ? 54.265 8.137 -93.636 1 107.265 ? 11 LEU F O 1 6 +ATOM 7642 C CB . LEU F 3 11 ? 55.416 6.09 -91.824 1 81.955 ? 11 LEU F CB 1 6 +ATOM 7643 C CG . LEU F 3 11 ? 56.07 5.391 -90.636 1 89.675 ? 11 LEU F CG 1 6 +ATOM 7644 C CD1 . LEU F 3 11 ? 55.258 4.148 -90.311 1 105.63 ? 11 LEU F CD1 1 6 +ATOM 7645 C CD2 . LEU F 3 11 ? 57.534 5.07 -90.929 1 79.981 ? 11 LEU F CD2 1 6 +ATOM 7646 N N . VAL F 3 12 ? 56.309 7.951 -94.545 1 97.355 ? 12 VAL F N 1 6 +ATOM 7647 C CA . VAL F 3 12 ? 55.795 8.212 -95.877 1 96.585 ? 12 VAL F CA 1 6 +ATOM 7648 C C . VAL F 3 12 ? 55.7 6.885 -96.626 1 100.506 ? 12 VAL F C 1 6 +ATOM 7649 O O . VAL F 3 12 ? 56.712 6.232 -96.856 1 104.735 ? 12 VAL F O 1 6 +ATOM 7650 C CB . VAL F 3 12 ? 56.605 9.249 -96.675 1 99.979 ? 12 VAL F CB 1 6 +ATOM 7651 C CG1 . VAL F 3 12 ? 55.902 9.564 -97.995 1 108.161 ? 12 VAL F CG1 1 6 +ATOM 7652 C CG2 . VAL F 3 12 ? 56.808 10.518 -95.847 1 99.127 ? 12 VAL F CG2 1 6 +ATOM 7653 N N . ALA F 3 13 ? 54.475 6.524 -97.027 1 101.563 ? 13 ALA F N 1 6 +ATOM 7654 C CA . ALA F 3 13 ? 54.229 5.34 -97.834 1 110.022 ? 13 ALA F CA 1 6 +ATOM 7655 C C . ALA F 3 13 ? 54.641 5.585 -99.28 1 116.647 ? 13 ALA F C 1 6 +ATOM 7656 O O . ALA F 3 13 ? 54.187 6.528 -99.909 1 92.767 ? 13 ALA F O 1 6 +ATOM 7657 C CB . ALA F 3 13 ? 52.77 4.953 -97.764 1 120.444 ? 13 ALA F CB 1 6 +ATOM 7658 N N . TYR F 3 14 ? 55.509 4.723 -99.803 1 131.429 ? 14 TYR F N 1 6 +ATOM 7659 C CA . TYR F 3 14 ? 55.883 4.788 -101.207 1 129.237 ? 14 TYR F CA 1 6 +ATOM 7660 C C . TYR F 3 14 ? 55.523 3.466 -101.892 1 139.765 ? 14 TYR F C 1 6 +ATOM 7661 O O . TYR F 3 14 ? 55.687 2.387 -101.303 1 150.325 ? 14 TYR F O 1 6 +ATOM 7662 C CB . TYR F 3 14 ? 57.379 5.071 -101.265 1 127.661 ? 14 TYR F CB 1 6 +ATOM 7663 C CG . TYR F 3 14 ? 57.799 6.466 -100.841 1 121.778 ? 14 TYR F CG 1 6 +ATOM 7664 C CD1 . TYR F 3 14 ? 57.38 7.583 -101.56 1 114.737 ? 14 TYR F CD1 1 6 +ATOM 7665 C CD2 . TYR F 3 14 ? 58.643 6.652 -99.744 1 113.582 ? 14 TYR F CD2 1 6 +ATOM 7666 C CE1 . TYR F 3 14 ? 57.827 8.853 -101.212 1 113.015 ? 14 TYR F CE1 1 6 +ATOM 7667 C CE2 . TYR F 3 14 ? 59.082 7.913 -99.381 1 103.842 ? 14 TYR F CE2 1 6 +ATOM 7668 C CZ . TYR F 3 14 ? 58.681 9.012 -100.124 1 107.206 ? 14 TYR F CZ 1 6 +ATOM 7669 O OH . TYR F 3 14 ? 59.155 10.241 -99.757 1 95.952 ? 14 TYR F OH 1 6 +ATOM 7670 N N . ASP F 3 15 ? 55.081 3.559 -103.161 1 121.119 ? 15 ASP F N 1 6 +ATOM 7671 C CA . ASP F 3 15 ? 54.531 2.433 -103.896 1 118.452 ? 15 ASP F CA 1 6 +ATOM 7672 C C . ASP F 3 15 ? 53.343 1.862 -103.144 1 110.093 ? 15 ASP F C 1 6 +ATOM 7673 O O . ASP F 3 15 ? 53.07 0.673 -103.247 1 143.805 ? 15 ASP F O 1 6 +ATOM 7674 C CB . ASP F 3 15 ? 55.541 1.317 -104.129 1 140.142 ? 15 ASP F CB 1 6 +ATOM 7675 C CG . ASP F 3 15 ? 56.456 1.519 -105.323 1 158.001 ? 15 ASP F CG 1 6 +ATOM 7676 O OD1 . ASP F 3 15 ? 56.841 2.695 -105.546 1 147.651 ? 15 ASP F OD1 1 6 +ATOM 7677 O OD2 . ASP F 3 15 ? 56.76 0.495 -106.023 1 148.813 ? 15 ASP F OD2 1 6 +ATOM 7678 N N . ASN F 3 16 ? 52.635 2.734 -102.425 1 91.013 ? 16 ASN F N 1 6 +ATOM 7679 C CA . ASN F 3 16 ? 51.401 2.413 -101.731 1 86.178 ? 16 ASN F CA 1 6 +ATOM 7680 C C . ASN F 3 16 ? 51.617 1.46 -100.561 1 90.986 ? 16 ASN F C 1 6 +ATOM 7681 O O . ASN F 3 16 ? 50.656 0.852 -100.128 1 106.942 ? 16 ASN F O 1 6 +ATOM 7682 C CB . ASN F 3 16 ? 50.338 1.905 -102.701 1 85.666 ? 16 ASN F CB 1 6 +ATOM 7683 C CG . ASN F 3 16 ? 50.005 2.965 -103.721 1 96.463 ? 16 ASN F CG 1 6 +ATOM 7684 O OD1 . ASN F 3 16 ? 50.362 2.804 -104.897 1 94.689 ? 16 ASN F OD1 1 6 +ATOM 7685 N ND2 . ASN F 3 16 ? 49.437 4.084 -103.268 1 106.014 ? 16 ASN F ND2 1 6 +ATOM 7686 N N . ALA F 3 17 ? 52.816 1.407 -99.973 1 94.074 ? 17 ALA F N 1 6 +ATOM 7687 C CA . ALA F 3 17 ? 53.108 0.439 -98.925 1 105.568 ? 17 ALA F CA 1 6 +ATOM 7688 C C . ALA F 3 17 ? 53.972 1.069 -97.831 1 107.812 ? 17 ALA F C 1 6 +ATOM 7689 O O . ALA F 3 17 ? 54.688 2.044 -98.103 1 124.423 ? 17 ALA F O 1 6 +ATOM 7690 C CB . ALA F 3 17 ? 53.778 -0.776 -99.541 1 108.64 ? 17 ALA F CB 1 6 +ATOM 7691 N N . VAL F 3 18 ? 53.912 0.46 -96.623 1 100.314 ? 18 VAL F N 1 6 +ATOM 7692 C CA . VAL F 3 18 ? 54.636 0.901 -95.435 1 90.497 ? 18 VAL F CA 1 6 +ATOM 7693 C C . VAL F 3 18 ? 54.797 -0.244 -94.423 1 85.656 ? 18 VAL F C 1 6 +ATOM 7694 O O . VAL F 3 18 ? 54.057 -1.231 -94.494 1 77.35 ? 18 VAL F O 1 6 +ATOM 7695 C CB . VAL F 3 18 ? 53.801 2.06 -94.841 1 93.196 ? 18 VAL F CB 1 6 +ATOM 7696 C CG1 . VAL F 3 18 ? 52.559 1.556 -94.125 1 88.911 ? 18 VAL F CG1 1 6 +ATOM 7697 C CG2 . VAL F 3 18 ? 54.588 2.957 -93.883 1 97.698 ? 18 VAL F CG2 1 6 +ATOM 7698 N N . ASN F 3 19 ? 55.714 -0.079 -93.439 1 88.986 ? 19 ASN F N 1 6 +ATOM 7699 C CA . ASN F 3 19 ? 55.916 -1.056 -92.36 1 80.055 ? 19 ASN F CA 1 6 +ATOM 7700 C C . ASN F 3 19 ? 55.816 -0.381 -91 1 83.083 ? 19 ASN F C 1 6 +ATOM 7701 O O . ASN F 3 19 ? 56.678 0.391 -90.589 1 108.67 ? 19 ASN F O 1 6 +ATOM 7702 C CB . ASN F 3 19 ? 57.24 -1.802 -92.392 1 78.652 ? 19 ASN F CB 1 6 +ATOM 7703 C CG . ASN F 3 19 ? 57.392 -2.582 -93.67 1 88.725 ? 19 ASN F CG 1 6 +ATOM 7704 O OD1 . ASN F 3 19 ? 56.41 -2.737 -94.405 1 89.259 ? 19 ASN F OD1 1 6 +ATOM 7705 N ND2 . ASN F 3 19 ? 58.592 -3.059 -93.974 1 97.335 ? 19 ASN F ND2 1 6 +ATOM 7706 N N . LEU F 3 20 ? 54.748 -0.717 -90.291 1 81.947 ? 20 LEU F N 1 6 +ATOM 7707 C CA . LEU F 3 20 ? 54.414 -0.12 -89.008 1 73.064 ? 20 LEU F CA 1 6 +ATOM 7708 C C . LEU F 3 20 ? 54.84 -1.097 -87.914 1 83.091 ? 20 LEU F C 1 6 +ATOM 7709 O O . LEU F 3 20 ? 54.093 -2.041 -87.59 1 98.137 ? 20 LEU F O 1 6 +ATOM 7710 C CB . LEU F 3 20 ? 52.888 -0.015 -89.056 1 77.191 ? 20 LEU F CB 1 6 +ATOM 7711 C CG . LEU F 3 20 ? 52.199 1.14 -88.338 1 76.66 ? 20 LEU F CG 1 6 +ATOM 7712 C CD1 . LEU F 3 20 ? 52.648 1.351 -86.924 1 84.094 ? 20 LEU F CD1 1 6 +ATOM 7713 C CD2 . LEU F 3 20 ? 52.538 2.324 -89.188 1 94.872 ? 20 LEU F CD2 1 6 +ATOM 7714 N N . SER F 3 21 ? 56.033 -0.882 -87.333 1 81.529 ? 21 SER F N 1 6 +ATOM 7715 C CA . SER F 3 21 ? 56.436 -1.661 -86.169 1 83.596 ? 21 SER F CA 1 6 +ATOM 7716 C C . SER F 3 21 ? 55.922 -0.963 -84.908 1 85.153 ? 21 SER F C 1 6 +ATOM 7717 O O . SER F 3 21 ? 56.158 0.217 -84.717 1 80.444 ? 21 SER F O 1 6 +ATOM 7718 C CB . SER F 3 21 ? 57.914 -1.887 -86.096 1 88.018 ? 21 SER F CB 1 6 +ATOM 7719 O OG . SER F 3 21 ? 58.583 -0.688 -85.739 1 113.015 ? 21 SER F OG 1 6 +ATOM 7720 N N . CYS F 3 22 ? 55.216 -1.704 -84.046 1 86.055 ? 22 CYS F N 1 6 +ATOM 7721 C CA . CYS F 3 22 ? 54.72 -1.173 -82.796 1 81.006 ? 22 CYS F CA 1 6 +ATOM 7722 C C . CYS F 3 22 ? 55.531 -1.777 -81.664 1 82.366 ? 22 CYS F C 1 6 +ATOM 7723 O O . CYS F 3 22 ? 55.47 -2.982 -81.471 1 90.895 ? 22 CYS F O 1 6 +ATOM 7724 C CB . CYS F 3 22 ? 53.251 -1.526 -82.61 1 85.22 ? 22 CYS F CB 1 6 +ATOM 7725 S SG . CYS F 3 22 ? 52.196 -1.047 -84.006 0.95 79.466 ? 22 CYS F SG 1 6 +ATOM 7726 N N . LYS F 3 23 ? 56.283 -0.941 -80.943 1 87.716 ? 23 LYS F N 1 6 +ATOM 7727 C CA . LYS F 3 23 ? 57.213 -1.436 -79.941 1 96.132 ? 23 LYS F CA 1 6 +ATOM 7728 C C . LYS F 3 23 ? 56.531 -1.388 -78.579 1 92.784 ? 23 LYS F C 1 6 +ATOM 7729 O O . LYS F 3 23 ? 56.143 -0.327 -78.131 1 98.001 ? 23 LYS F O 1 6 +ATOM 7730 C CB . LYS F 3 23 ? 58.584 -0.742 -79.997 1 102.042 ? 23 LYS F CB 1 6 +ATOM 7731 C CG . LYS F 3 23 ? 59.26 -0.994 -81.35 1 118.121 ? 23 LYS F CG 1 6 +ATOM 7732 C CD . LYS F 3 23 ? 60.772 -1.258 -81.323 1 131.161 ? 23 LYS F CD 1 6 +ATOM 7733 C CE . LYS F 3 23 ? 61.354 -1.702 -82.651 1 128.774 ? 23 LYS F CE 1 6 +ATOM 7734 N NZ . LYS F 3 23 ? 61.274 -0.662 -83.686 1 120.05 ? 23 LYS F NZ 1 6 +ATOM 7735 N N . TYR F 3 24 ? 56.414 -2.553 -77.927 1 89.478 ? 24 TYR F N 1 6 +ATOM 7736 C CA . TYR F 3 24 ? 55.766 -2.668 -76.635 1 87.122 ? 24 TYR F CA 1 6 +ATOM 7737 C C . TYR F 3 24 ? 56.8 -2.772 -75.521 1 95.793 ? 24 TYR F C 1 6 +ATOM 7738 O O . TYR F 3 24 ? 57.986 -3.019 -75.748 1 121.776 ? 24 TYR F O 1 6 +ATOM 7739 C CB . TYR F 3 24 ? 54.839 -3.876 -76.67 1 83.263 ? 24 TYR F CB 1 6 +ATOM 7740 C CG . TYR F 3 24 ? 53.837 -3.797 -77.815 1 92.308 ? 24 TYR F CG 1 6 +ATOM 7741 C CD1 . TYR F 3 24 ? 52.8 -2.867 -77.803 1 85.962 ? 24 TYR F CD1 1 6 +ATOM 7742 C CD2 . TYR F 3 24 ? 53.936 -4.66 -78.91 1 106.328 ? 24 TYR F CD2 1 6 +ATOM 7743 C CE1 . TYR F 3 24 ? 51.886 -2.783 -78.843 1 94.477 ? 24 TYR F CE1 1 6 +ATOM 7744 C CE2 . TYR F 3 24 ? 53.006 -4.606 -79.944 1 118.051 ? 24 TYR F CE2 1 6 +ATOM 7745 C CZ . TYR F 3 24 ? 51.988 -3.651 -79.919 1 117.173 ? 24 TYR F CZ 1 6 +ATOM 7746 O OH . TYR F 3 24 ? 51.074 -3.535 -80.943 1 100.987 ? 24 TYR F OH 1 6 +ATOM 7747 N N . SER F 3 25 ? 56.323 -2.576 -74.293 1 97.114 ? 25 SER F N 1 6 +ATOM 7748 C CA . SER F 3 25 ? 57.184 -2.729 -73.132 1 96.9 ? 25 SER F CA 1 6 +ATOM 7749 C C . SER F 3 25 ? 56.907 -4.083 -72.477 1 95.527 ? 25 SER F C 1 6 +ATOM 7750 O O . SER F 3 25 ? 56.741 -4.157 -71.264 1 112.722 ? 25 SER F O 1 6 +ATOM 7751 C CB . SER F 3 25 ? 57.012 -1.56 -72.166 1 97.722 ? 25 SER F CB 1 6 +ATOM 7752 O OG . SER F 3 25 ? 55.758 -1.587 -71.491 1 92.115 ? 25 SER F OG 1 6 +ATOM 7753 N N . TYR F 3 26 ? 56.84 -5.156 -73.28 1 88.35 ? 26 TYR F N 1 6 +ATOM 7754 C CA . TYR F 3 26 ? 56.353 -6.43 -72.777 1 90.329 ? 26 TYR F CA 1 6 +ATOM 7755 C C . TYR F 3 26 ? 56.691 -7.558 -73.751 1 90.178 ? 26 TYR F C 1 6 +ATOM 7756 O O . TYR F 3 26 ? 56.699 -7.357 -74.965 1 89.299 ? 26 TYR F O 1 6 +ATOM 7757 C CB . TYR F 3 26 ? 54.84 -6.291 -72.578 1 93.281 ? 26 TYR F CB 1 6 +ATOM 7758 C CG . TYR F 3 26 ? 54.216 -7.109 -71.455 1 93.348 ? 26 TYR F CG 1 6 +ATOM 7759 C CD1 . TYR F 3 26 ? 54.793 -7.193 -70.195 1 92.343 ? 26 TYR F CD1 1 6 +ATOM 7760 C CD2 . TYR F 3 26 ? 53.027 -7.793 -71.671 1 94.333 ? 26 TYR F CD2 1 6 +ATOM 7761 C CE1 . TYR F 3 26 ? 54.176 -7.901 -69.174 1 94.935 ? 26 TYR F CE1 1 6 +ATOM 7762 C CE2 . TYR F 3 26 ? 52.421 -8.525 -70.67 1 93.928 ? 26 TYR F CE2 1 6 +ATOM 7763 C CZ . TYR F 3 26 ? 52.989 -8.582 -69.415 1 96.403 ? 26 TYR F CZ 1 6 +ATOM 7764 O OH . TYR F 3 26 ? 52.301 -9.342 -68.496 1 95.339 ? 26 TYR F OH 1 6 +ATOM 7765 N N . ASN F 3 27 ? 56.93 -8.758 -73.208 1 93.546 ? 27 ASN F N 1 6 +ATOM 7766 C CA . ASN F 3 27 ? 57.403 -9.879 -74.001 1 103.475 ? 27 ASN F CA 1 6 +ATOM 7767 C C . ASN F 3 27 ? 56.202 -10.547 -74.648 1 99.269 ? 27 ASN F C 1 6 +ATOM 7768 O O . ASN F 3 27 ? 55.416 -11.127 -73.934 1 112.259 ? 27 ASN F O 1 6 +ATOM 7769 C CB . ASN F 3 27 ? 58.161 -10.888 -73.144 1 115.183 ? 27 ASN F CB 1 6 +ATOM 7770 C CG . ASN F 3 27 ? 59.106 -11.745 -73.952 1 123.827 ? 27 ASN F CG 1 6 +ATOM 7771 O OD1 . ASN F 3 27 ? 59.141 -12.963 -73.77 1 119.792 ? 27 ASN F OD1 1 6 +ATOM 7772 N ND2 . ASN F 3 27 ? 59.909 -11.13 -74.808 1 132.745 ? 27 ASN F ND2 1 6 +ATOM 7773 N N . LEU F 3 28 ? 56.063 -10.448 -75.975 1 100.768 ? 28 LEU F N 1 6 +ATOM 7774 C CA . LEU F 3 28 ? 54.916 -11.025 -76.682 1 106.577 ? 28 LEU F CA 1 6 +ATOM 7775 C C . LEU F 3 28 ? 55.173 -12.48 -77.09 1 104.794 ? 28 LEU F C 1 6 +ATOM 7776 O O . LEU F 3 28 ? 54.304 -13.127 -77.687 1 84.547 ? 28 LEU F O 1 6 +ATOM 7777 C CB . LEU F 3 28 ? 54.559 -10.233 -77.936 1 109.996 ? 28 LEU F CB 1 6 +ATOM 7778 C CG . LEU F 3 28 ? 54.404 -8.724 -77.773 1 103.322 ? 28 LEU F CG 1 6 +ATOM 7779 C CD1 . LEU F 3 28 ? 54.158 -8.113 -79.151 1 104.5 ? 28 LEU F CD1 1 6 +ATOM 7780 C CD2 . LEU F 3 28 ? 53.304 -8.463 -76.764 1 98.133 ? 28 LEU F CD2 1 6 +ATOM 7781 N N . PHE F 3 29 ? 56.395 -12.972 -76.857 1 103.795 ? 29 PHE F N 1 6 +ATOM 7782 C CA . PHE F 3 29 ? 56.709 -14.346 -77.194 1 106.143 ? 29 PHE F CA 1 6 +ATOM 7783 C C . PHE F 3 29 ? 55.962 -15.252 -76.224 1 113.05 ? 29 PHE F C 1 6 +ATOM 7784 O O . PHE F 3 29 ? 55.995 -15.014 -75.019 1 121.131 ? 29 PHE F O 1 6 +ATOM 7785 C CB . PHE F 3 29 ? 58.221 -14.558 -77.16 1 107.702 ? 29 PHE F CB 1 6 +ATOM 7786 C CG . PHE F 3 29 ? 58.988 -14.235 -78.435 1 106.791 ? 29 PHE F CG 1 6 +ATOM 7787 C CD1 . PHE F 3 29 ? 58.338 -14.021 -79.648 1 96.636 ? 29 PHE F CD1 1 6 +ATOM 7788 C CD2 . PHE F 3 29 ? 60.383 -14.261 -78.428 1 113.938 ? 29 PHE F CD2 1 6 +ATOM 7789 C CE1 . PHE F 3 29 ? 59.069 -13.768 -80.8 1 101.614 ? 29 PHE F CE1 1 6 +ATOM 7790 C CE2 . PHE F 3 29 ? 61.112 -14.023 -79.587 1 111.805 ? 29 PHE F CE2 1 6 +ATOM 7791 C CZ . PHE F 3 29 ? 60.453 -13.762 -80.767 1 109.156 ? 29 PHE F CZ 1 6 +ATOM 7792 N N . SER F 3 30 ? 55.276 -16.264 -76.775 1 111.169 ? 30 SER F N 1 6 +ATOM 7793 C CA . SER F 3 30 ? 54.499 -17.22 -75.999 1 105.846 ? 30 SER F CA 1 6 +ATOM 7794 C C . SER F 3 30 ? 53.447 -16.487 -75.177 1 100.574 ? 30 SER F C 1 6 +ATOM 7795 O O . SER F 3 30 ? 53.387 -16.66 -73.963 1 109.137 ? 30 SER F O 1 6 +ATOM 7796 C CB . SER F 3 30 ? 55.373 -18.077 -75.108 1 102.801 ? 30 SER F CB 1 6 +ATOM 7797 O OG . SER F 3 30 ? 56.029 -19.084 -75.86 1 102.526 ? 30 SER F OG 1 6 +ATOM 7798 N N . ARG F 3 31 ? 52.643 -15.655 -75.853 1 90.818 ? 31 ARG F N 1 6 +ATOM 7799 C CA . ARG F 3 31 ? 51.593 -14.925 -75.168 1 91.178 ? 31 ARG F CA 1 6 +ATOM 7800 C C . ARG F 3 31 ? 50.342 -14.965 -76.019 1 89.865 ? 31 ARG F C 1 6 +ATOM 7801 O O . ARG F 3 31 ? 50.426 -14.997 -77.242 1 94.693 ? 31 ARG F O 1 6 +ATOM 7802 C CB . ARG F 3 31 ? 51.893 -13.469 -74.804 1 87.63 ? 31 ARG F CB 1 6 +ATOM 7803 C CG . ARG F 3 31 ? 52.626 -13.381 -73.473 1 95.09 ? 31 ARG F CG 1 6 +ATOM 7804 C CD . ARG F 3 31 ? 52.503 -12.031 -72.794 1 100.003 ? 31 ARG F CD 1 6 +ATOM 7805 N NE . ARG F 3 31 ? 53.643 -11.767 -71.904 1 113.1 ? 31 ARG F NE 1 6 +ATOM 7806 C CZ . ARG F 3 31 ? 53.613 -11.826 -70.58 1 131.201 ? 31 ARG F CZ 1 6 +ATOM 7807 N NH1 . ARG F 3 31 ? 52.49 -12.144 -69.968 1 138.714 ? 31 ARG F NH1 1 6 +ATOM 7808 N NH2 . ARG F 3 31 ? 54.699 -11.553 -69.868 1 141.56 ? 31 ARG F NH2 1 6 +ATOM 7809 N N . GLU F 3 32 ? 49.208 -15.004 -75.317 1 87.779 ? 32 GLU F N 1 6 +ATOM 7810 C CA . GLU F 3 32 ? 47.912 -14.838 -75.924 1 85.206 ? 32 GLU F CA 1 6 +ATOM 7811 C C . GLU F 3 32 ? 47.643 -13.338 -75.953 1 84.144 ? 32 GLU F C 1 6 +ATOM 7812 O O . GLU F 3 32 ? 47.482 -12.736 -74.89 1 83.001 ? 32 GLU F O 1 6 +ATOM 7813 C CB . GLU F 3 32 ? 46.893 -15.618 -75.096 1 89.15 ? 32 GLU F CB 1 6 +ATOM 7814 C CG . GLU F 3 32 ? 45.874 -16.356 -75.957 1 96.894 ? 32 GLU F CG 1 6 +ATOM 7815 C CD . GLU F 3 32 ? 46.285 -17.739 -76.433 1 100.515 ? 32 GLU F CD 1 6 +ATOM 7816 O OE1 . GLU F 3 32 ? 47.21 -18.328 -75.839 1 107.768 ? 32 GLU F OE1 1 6 +ATOM 7817 O OE2 . GLU F 3 32 ? 45.653 -18.253 -77.386 1 99.139 ? 32 GLU F OE2 1 6 +ATOM 7818 N N . PHE F 3 33 ? 47.62 -12.742 -77.16 1 88.226 ? 33 PHE F N 1 6 +ATOM 7819 C CA . PHE F 3 33 ? 47.431 -11.303 -77.3 1 88.602 ? 33 PHE F CA 1 6 +ATOM 7820 C C . PHE F 3 33 ? 46.525 -10.977 -78.49 1 85.346 ? 33 PHE F C 1 6 +ATOM 7821 O O . PHE F 3 33 ? 46.233 -11.821 -79.339 1 85.546 ? 33 PHE F O 1 6 +ATOM 7822 C CB . PHE F 3 33 ? 48.763 -10.536 -77.407 1 90.544 ? 33 PHE F CB 1 6 +ATOM 7823 C CG . PHE F 3 33 ? 49.596 -10.824 -78.653 1 87.829 ? 33 PHE F CG 1 6 +ATOM 7824 C CD1 . PHE F 3 33 ? 49.244 -10.269 -79.877 1 81.77 ? 33 PHE F CD1 1 6 +ATOM 7825 C CD2 . PHE F 3 33 ? 50.727 -11.632 -78.599 1 89.567 ? 33 PHE F CD2 1 6 +ATOM 7826 C CE1 . PHE F 3 33 ? 49.981 -10.545 -81.016 1 82.095 ? 33 PHE F CE1 1 6 +ATOM 7827 C CE2 . PHE F 3 33 ? 51.459 -11.899 -79.745 1 90.353 ? 33 PHE F CE2 1 6 +ATOM 7828 C CZ . PHE F 3 33 ? 51.086 -11.357 -80.947 1 88.193 ? 33 PHE F CZ 1 6 +ATOM 7829 N N . ARG F 3 34 ? 46.09 -9.71 -78.535 1 84.108 ? 34 ARG F N 1 6 +ATOM 7830 C CA . ARG F 3 34 ? 45.322 -9.165 -79.639 1 76.818 ? 34 ARG F CA 1 6 +ATOM 7831 C C . ARG F 3 34 ? 45.847 -7.768 -79.943 1 78.178 ? 34 ARG F C 1 6 +ATOM 7832 O O . ARG F 3 34 ? 45.563 -6.807 -79.224 1 78.336 ? 34 ARG F O 1 6 +ATOM 7833 C CB . ARG F 3 34 ? 43.853 -9.037 -79.244 1 84.053 ? 34 ARG F CB 1 6 +ATOM 7834 C CG . ARG F 3 34 ? 42.995 -8.612 -80.419 1 85.97 ? 34 ARG F CG 1 6 +ATOM 7835 C CD . ARG F 3 34 ? 41.842 -7.762 -79.916 1 89.605 ? 34 ARG F CD 1 6 +ATOM 7836 N NE . ARG F 3 34 ? 40.691 -8.054 -80.765 1 87.249 ? 34 ARG F NE 1 6 +ATOM 7837 C CZ . ARG F 3 34 ? 40.193 -7.231 -81.654 1 89.94 ? 34 ARG F CZ 1 6 +ATOM 7838 N NH1 . ARG F 3 34 ? 40.74 -6.042 -81.81 1 76.037 ? 34 ARG F NH1 1 6 +ATOM 7839 N NH2 . ARG F 3 34 ? 39.149 -7.621 -82.366 1 118.218 ? 34 ARG F NH2 1 6 +ATOM 7840 N N . ALA F 3 35 ? 46.612 -7.66 -81.028 1 78.379 ? 35 ALA F N 1 6 +ATOM 7841 C CA . ALA F 3 35 ? 47.159 -6.384 -81.463 1 75.172 ? 35 ALA F CA 1 6 +ATOM 7842 C C . ALA F 3 35 ? 46.213 -5.728 -82.477 1 73.887 ? 35 ALA F C 1 6 +ATOM 7843 O O . ALA F 3 35 ? 45.489 -6.415 -83.184 1 66.506 ? 35 ALA F O 1 6 +ATOM 7844 C CB . ALA F 3 35 ? 48.547 -6.602 -82.028 1 80.244 ? 35 ALA F CB 1 6 +ATOM 7845 N N . SER F 3 36 ? 46.199 -4.389 -82.52 1 77.725 ? 36 SER F N 1 6 +ATOM 7846 C CA . SER F 3 36 ? 45.244 -3.633 -83.319 1 72.555 ? 36 SER F CA 1 6 +ATOM 7847 C C . SER F 3 36 ? 45.95 -2.412 -83.883 1 76.838 ? 36 SER F C 1 6 +ATOM 7848 O O . SER F 3 36 ? 46.864 -1.836 -83.275 1 92.142 ? 36 SER F O 1 6 +ATOM 7849 C CB . SER F 3 36 ? 44.01 -3.168 -82.55 1 69.543 ? 36 SER F CB 1 6 +ATOM 7850 O OG . SER F 3 36 ? 43.346 -4.235 -81.895 1 82.855 ? 36 SER F OG 1 6 +ATOM 7851 N N . LEU F 3 37 ? 45.458 -2.007 -85.047 1 79.662 ? 37 LEU F N 1 6 +ATOM 7852 C CA . LEU F 3 37 ? 45.814 -0.737 -85.648 1 67.047 ? 37 LEU F CA 1 6 +ATOM 7853 C C . LEU F 3 37 ? 44.498 -0.003 -85.843 1 71.001 ? 37 LEU F C 1 6 +ATOM 7854 O O . LEU F 3 37 ? 43.567 -0.563 -86.437 1 63.617 ? 37 LEU F O 1 6 +ATOM 7855 C CB . LEU F 3 37 ? 46.518 -0.976 -86.979 1 66.733 ? 37 LEU F CB 1 6 +ATOM 7856 C CG . LEU F 3 37 ? 47.362 0.175 -87.501 1 66.883 ? 37 LEU F CG 1 6 +ATOM 7857 C CD1 . LEU F 3 37 ? 48.518 0.377 -86.539 1 72.956 ? 37 LEU F CD1 1 6 +ATOM 7858 C CD2 . LEU F 3 37 ? 47.859 -0.167 -88.915 1 77.429 ? 37 LEU F CD2 1 6 +ATOM 7859 N N . HIS F 3 38 ? 44.42 1.211 -85.281 1 76.41 ? 38 HIS F N 1 6 +ATOM 7860 C CA . HIS F 3 38 ? 43.263 2.07 -85.438 1 73.301 ? 38 HIS F CA 1 6 +ATOM 7861 C C . HIS F 3 38 ? 43.653 3.312 -86.239 1 77.328 ? 38 HIS F C 1 6 +ATOM 7862 O O . HIS F 3 38 ? 44.701 3.906 -86.02 1 74.93 ? 38 HIS F O 1 6 +ATOM 7863 C CB . HIS F 3 38 ? 42.71 2.425 -84.068 1 74.982 ? 38 HIS F CB 1 6 +ATOM 7864 C CG . HIS F 3 38 ? 41.985 1.313 -83.424 1 86.649 ? 38 HIS F CG 1 6 +ATOM 7865 N ND1 . HIS F 3 38 ? 40.723 1.505 -82.897 1 109.364 ? 38 HIS F ND1 1 6 +ATOM 7866 C CD2 . HIS F 3 38 ? 42.286 0.031 -83.229 1 101.143 ? 38 HIS F CD2 1 6 +ATOM 7867 C CE1 . HIS F 3 38 ? 40.282 0.356 -82.404 1 118.81 ? 38 HIS F CE1 1 6 +ATOM 7868 N NE2 . HIS F 3 38 ? 41.225 -0.554 -82.581 1 115.784 ? 38 HIS F NE2 1 6 +ATOM 7869 N N . LYS F 3 39 ? 42.804 3.683 -87.197 1 72.594 ? 39 LYS F N 1 6 +ATOM 7870 C CA . LYS F 3 39 ? 43.055 4.841 -88.03 1 65.207 ? 39 LYS F CA 1 6 +ATOM 7871 C C . LYS F 3 39 ? 42.074 5.92 -87.609 1 66.902 ? 39 LYS F C 1 6 +ATOM 7872 O O . LYS F 3 39 ? 40.907 5.629 -87.355 1 71.411 ? 39 LYS F O 1 6 +ATOM 7873 C CB . LYS F 3 39 ? 42.894 4.451 -89.498 1 66.513 ? 39 LYS F CB 1 6 +ATOM 7874 C CG . LYS F 3 39 ? 43.006 5.549 -90.523 1 70.24 ? 39 LYS F CG 1 6 +ATOM 7875 C CD . LYS F 3 39 ? 42.427 5.15 -91.886 1 67.166 ? 39 LYS F CD 1 6 +ATOM 7876 C CE . LYS F 3 39 ? 41.561 6.22 -92.466 1 84.425 ? 39 LYS F CE 1 6 +ATOM 7877 N NZ . LYS F 3 39 ? 42.243 7.223 -93.284 1 97.065 ? 39 LYS F NZ 1 6 +ATOM 7878 N N . GLY F 3 40 ? 42.575 7.148 -87.486 1 71.137 ? 40 GLY F N 1 6 +ATOM 7879 C CA . GLY F 3 40 ? 41.715 8.294 -87.25 1 75.433 ? 40 GLY F CA 1 6 +ATOM 7880 C C . GLY F 3 40 ? 41.908 8.916 -85.877 1 76.987 ? 40 GLY F C 1 6 +ATOM 7881 O O . GLY F 3 40 ? 42.185 8.23 -84.894 1 79.972 ? 40 GLY F O 1 6 +ATOM 7882 N N . LEU F 3 41 ? 41.695 10.232 -85.836 1 91.33 ? 41 LEU F N 1 6 +ATOM 7883 C CA . LEU F 3 41 ? 41.784 10.964 -84.586 1 94.666 ? 41 LEU F CA 1 6 +ATOM 7884 C C . LEU F 3 41 ? 40.616 10.603 -83.675 1 99.863 ? 41 LEU F C 1 6 +ATOM 7885 O O . LEU F 3 41 ? 40.8 10.592 -82.463 1 122.043 ? 41 LEU F O 1 6 +ATOM 7886 C CB . LEU F 3 41 ? 41.891 12.471 -84.794 1 91.467 ? 41 LEU F CB 1 6 +ATOM 7887 C CG . LEU F 3 41 ? 43.294 12.997 -85.102 1 79.544 ? 41 LEU F CG 1 6 +ATOM 7888 C CD1 . LEU F 3 41 ? 43.287 14.503 -85.194 1 84.683 ? 41 LEU F CD1 1 6 +ATOM 7889 C CD2 . LEU F 3 41 ? 44.268 12.561 -84.043 1 76.48 ? 41 LEU F CD2 1 6 +ATOM 7890 N N . ASP F 3 42 ? 39.447 10.273 -84.24 1 101.26 ? 42 ASP F N 1 6 +ATOM 7891 C CA . ASP F 3 42 ? 38.354 9.727 -83.438 1 126.944 ? 42 ASP F CA 1 6 +ATOM 7892 C C . ASP F 3 42 ? 38.494 8.21 -83.18 1 166.74 ? 42 ASP F C 1 6 +ATOM 7893 O O . ASP F 3 42 ? 37.532 7.615 -82.698 1 167.242 ? 42 ASP F O 1 6 +ATOM 7894 C CB . ASP F 3 42 ? 37.016 10.051 -84.081 1 131.641 ? 42 ASP F CB 1 6 +ATOM 7895 C CG . ASP F 3 42 ? 36.856 9.544 -85.507 1 142.845 ? 42 ASP F CG 1 6 +ATOM 7896 O OD1 . ASP F 3 42 ? 37.864 9.1 -86.094 1 144.668 ? 42 ASP F OD1 1 6 +ATOM 7897 O OD2 . ASP F 3 42 ? 35.721 9.57 -86.01 1 161.17 ? 42 ASP F OD2 1 6 +ATOM 7898 N N . SER F 3 43 ? 39.652 7.601 -83.518 1 199.162 ? 43 SER F N 1 6 +ATOM 7899 C CA . SER F 3 43 ? 39.973 6.171 -83.398 1 164.832 ? 43 SER F CA 1 6 +ATOM 7900 C C . SER F 3 43 ? 38.83 5.226 -83.787 1 151.687 ? 43 SER F C 1 6 +ATOM 7901 O O . SER F 3 43 ? 38.753 4.123 -83.239 1 137.433 ? 43 SER F O 1 6 +ATOM 7902 C CB . SER F 3 43 ? 40.494 5.821 -82.006 1 139.505 ? 43 SER F CB 1 6 +ATOM 7903 O OG . SER F 3 43 ? 41.827 6.285 -81.837 1 132.208 ? 43 SER F OG 1 6 +ATOM 7904 N N . ALA F 3 44 ? 37.991 5.62 -84.763 1 141.522 ? 44 ALA F N 1 6 +ATOM 7905 C CA . ALA F 3 44 ? 36.818 4.829 -85.122 1 135.107 ? 44 ALA F CA 1 6 +ATOM 7906 C C . ALA F 3 44 ? 37.243 3.524 -85.809 1 124.064 ? 44 ALA F C 1 6 +ATOM 7907 O O . ALA F 3 44 ? 36.99 2.439 -85.292 1 140.212 ? 44 ALA F O 1 6 +ATOM 7908 C CB . ALA F 3 44 ? 35.863 5.644 -85.977 1 129.981 ? 44 ALA F CB 1 6 +ATOM 7909 N N . VAL F 3 45 ? 37.905 3.636 -86.967 1 105.405 ? 45 VAL F N 1 6 +ATOM 7910 C CA . VAL F 3 45 ? 38.157 2.498 -87.836 1 99.181 ? 45 VAL F CA 1 6 +ATOM 7911 C C . VAL F 3 45 ? 39.295 1.638 -87.29 1 90.08 ? 45 VAL F C 1 6 +ATOM 7912 O O . VAL F 3 45 ? 40.357 2.152 -86.959 1 79.292 ? 45 VAL F O 1 6 +ATOM 7913 C CB . VAL F 3 45 ? 38.46 2.947 -89.275 1 99.079 ? 45 VAL F CB 1 6 +ATOM 7914 C CG1 . VAL F 3 45 ? 39.035 1.8 -90.115 1 104.852 ? 45 VAL F CG1 1 6 +ATOM 7915 C CG2 . VAL F 3 45 ? 37.21 3.547 -89.92 1 104.973 ? 45 VAL F CG2 1 6 +ATOM 7916 N N . GLU F 3 46 ? 39.052 0.317 -87.248 1 84.508 ? 46 GLU F N 1 6 +ATOM 7917 C CA . GLU F 3 46 ? 40.073 -0.643 -86.888 1 79.792 ? 46 GLU F CA 1 6 +ATOM 7918 C C . GLU F 3 46 ? 40.629 -1.248 -88.168 1 79.439 ? 46 GLU F C 1 6 +ATOM 7919 O O . GLU F 3 46 ? 39.968 -2.055 -88.788 1 84.729 ? 46 GLU F O 1 6 +ATOM 7920 C CB . GLU F 3 46 ? 39.511 -1.712 -85.958 1 83.876 ? 46 GLU F CB 1 6 +ATOM 7921 C CG . GLU F 3 46 ? 40.581 -2.685 -85.465 1 89.565 ? 46 GLU F CG 1 6 +ATOM 7922 C CD . GLU F 3 46 ? 40.17 -3.448 -84.22 1 93.827 ? 46 GLU F CD 1 6 +ATOM 7923 O OE1 . GLU F 3 46 ? 39.137 -4.118 -84.307 1 104.56 ? 46 GLU F OE1 1 6 +ATOM 7924 O OE2 . GLU F 3 46 ? 40.829 -3.362 -83.162 1 92.054 ? 46 GLU F OE2 1 6 +ATOM 7925 N N . VAL F 3 47 ? 41.855 -0.863 -88.526 1 77.202 ? 47 VAL F N 1 6 +ATOM 7926 C CA . VAL F 3 47 ? 42.48 -1.24 -89.783 1 87.332 ? 47 VAL F CA 1 6 +ATOM 7927 C C . VAL F 3 47 ? 42.834 -2.727 -89.788 1 89.871 ? 47 VAL F C 1 6 +ATOM 7928 O O . VAL F 3 47 ? 42.647 -3.412 -90.791 1 97.111 ? 47 VAL F O 1 6 +ATOM 7929 C CB . VAL F 3 47 ? 43.741 -0.363 -89.998 1 96.068 ? 47 VAL F CB 1 6 +ATOM 7930 C CG1 . VAL F 3 47 ? 44.66 -0.854 -91.116 1 95.994 ? 47 VAL F CG1 1 6 +ATOM 7931 C CG2 . VAL F 3 47 ? 43.403 1.1 -90.23 1 103.606 ? 47 VAL F CG2 1 6 +ATOM 7932 N N . CYS F 3 48 ? 43.431 -3.209 -88.693 1 88.017 ? 48 CYS F N 1 6 +ATOM 7933 C CA . CYS F 3 48 ? 44.038 -4.529 -88.714 1 86.812 ? 48 CYS F CA 1 6 +ATOM 7934 C C . CYS F 3 48 ? 44.074 -5.11 -87.309 1 83.028 ? 48 CYS F C 1 6 +ATOM 7935 O O . CYS F 3 48 ? 44.222 -4.372 -86.341 1 83.074 ? 48 CYS F O 1 6 +ATOM 7936 C CB . CYS F 3 48 ? 45.46 -4.491 -89.263 1 92.455 ? 48 CYS F CB 1 6 +ATOM 7937 S SG . CYS F 3 48 ? 45.999 -6.113 -89.852 0.83 101.252 ? 48 CYS F SG 1 6 +ATOM 7938 N N . VAL F 3 49 ? 43.936 -6.443 -87.232 1 92.682 ? 49 VAL F N 1 6 +ATOM 7939 C CA . VAL F 3 49 ? 43.916 -7.16 -85.966 1 95.719 ? 49 VAL F CA 1 6 +ATOM 7940 C C . VAL F 3 49 ? 44.798 -8.396 -86.097 1 86.553 ? 49 VAL F C 1 6 +ATOM 7941 O O . VAL F 3 49 ? 44.424 -9.32 -86.793 1 92.814 ? 49 VAL F O 1 6 +ATOM 7942 C CB . VAL F 3 49 ? 42.502 -7.569 -85.502 1 95.309 ? 49 VAL F CB 1 6 +ATOM 7943 C CG1 . VAL F 3 49 ? 42.557 -8.341 -84.183 1 99.533 ? 49 VAL F CG1 1 6 +ATOM 7944 C CG2 . VAL F 3 49 ? 41.575 -6.36 -85.395 1 97.578 ? 49 VAL F CG2 1 6 +ATOM 7945 N N . VAL F 3 50 ? 45.935 -8.404 -85.39 1 85.292 ? 50 VAL F N 1 6 +ATOM 7946 C CA . VAL F 3 50 ? 46.83 -9.544 -85.33 1 79.017 ? 50 VAL F CA 1 6 +ATOM 7947 C C . VAL F 3 50 ? 46.609 -10.241 -83.994 1 79.041 ? 50 VAL F C 1 6 +ATOM 7948 O O . VAL F 3 50 ? 47.013 -9.698 -82.971 1 81.57 ? 50 VAL F O 1 6 +ATOM 7949 C CB . VAL F 3 50 ? 48.286 -9.073 -85.494 1 81.574 ? 50 VAL F CB 1 6 +ATOM 7950 C CG1 . VAL F 3 50 ? 49.305 -10.182 -85.213 1 94.97 ? 50 VAL F CG1 1 6 +ATOM 7951 C CG2 . VAL F 3 50 ? 48.502 -8.456 -86.872 1 86.137 ? 50 VAL F CG2 1 6 +ATOM 7952 N N . TYR F 3 51 ? 45.982 -11.435 -84.016 1 76.639 ? 51 TYR F N 1 6 +ATOM 7953 C CA . TYR F 3 51 ? 45.767 -12.241 -82.817 1 76.949 ? 51 TYR F CA 1 6 +ATOM 7954 C C . TYR F 3 51 ? 46.955 -13.181 -82.607 1 73.614 ? 51 TYR F C 1 6 +ATOM 7955 O O . TYR F 3 51 ? 47.316 -13.885 -83.532 1 81.928 ? 51 TYR F O 1 6 +ATOM 7956 C CB . TYR F 3 51 ? 44.512 -13.113 -82.947 1 77.853 ? 51 TYR F CB 1 6 +ATOM 7957 C CG . TYR F 3 51 ? 43.171 -12.477 -82.612 1 86.023 ? 51 TYR F CG 1 6 +ATOM 7958 C CD1 . TYR F 3 51 ? 42.815 -12.251 -81.287 1 97.776 ? 51 TYR F CD1 1 6 +ATOM 7959 C CD2 . TYR F 3 51 ? 42.228 -12.169 -83.595 1 91.425 ? 51 TYR F CD2 1 6 +ATOM 7960 C CE1 . TYR F 3 51 ? 41.586 -11.704 -80.948 1 98.171 ? 51 TYR F CE1 1 6 +ATOM 7961 C CE2 . TYR F 3 51 ? 41.003 -11.597 -83.271 1 100.913 ? 51 TYR F CE2 1 6 +ATOM 7962 C CZ . TYR F 3 51 ? 40.694 -11.351 -81.942 1 100.19 ? 51 TYR F CZ 1 6 +ATOM 7963 O OH . TYR F 3 51 ? 39.515 -10.793 -81.576 1 93.618 ? 51 TYR F OH 1 6 +ATOM 7964 N N . GLY F 3 52 ? 47.556 -13.21 -81.41 1 73.523 ? 52 GLY F N 1 6 +ATOM 7965 C CA . GLY F 3 52 ? 48.682 -14.085 -81.112 1 73.398 ? 52 GLY F CA 1 6 +ATOM 7966 C C . GLY F 3 52 ? 48.284 -15.216 -80.159 1 80.486 ? 52 GLY F C 1 6 +ATOM 7967 O O . GLY F 3 52 ? 47.491 -15.013 -79.245 1 93.931 ? 52 GLY F O 1 6 +ATOM 7968 N N . ASN F 3 53 ? 48.927 -16.375 -80.338 1 94.146 ? 53 ASN F N 1 6 +ATOM 7969 C CA . ASN F 3 53 ? 48.736 -17.604 -79.576 1 86.684 ? 53 ASN F CA 1 6 +ATOM 7970 C C . ASN F 3 53 ? 49.893 -17.846 -78.623 1 91.4 ? 53 ASN F C 1 6 +ATOM 7971 O O . ASN F 3 53 ? 50.944 -17.199 -78.713 1 102.965 ? 53 ASN F O 1 6 +ATOM 7972 C CB . ASN F 3 53 ? 48.72 -18.842 -80.472 1 84.991 ? 53 ASN F CB 1 6 +ATOM 7973 C CG . ASN F 3 53 ? 47.375 -19.492 -80.503 1 90.616 ? 53 ASN F CG 1 6 +ATOM 7974 O OD1 . ASN F 3 53 ? 46.452 -18.978 -79.867 1 118.319 ? 53 ASN F OD1 1 6 +ATOM 7975 N ND2 . ASN F 3 53 ? 47.241 -20.606 -81.194 1 88.217 ? 53 ASN F ND2 1 6 +ATOM 7976 N N . TYR F 3 54 ? 49.688 -18.835 -77.749 1 89.269 ? 54 TYR F N 1 6 +ATOM 7977 C CA . TYR F 3 54 ? 50.722 -19.3 -76.847 1 93.692 ? 54 TYR F CA 1 6 +ATOM 7978 C C . TYR F 3 54 ? 51.857 -19.925 -77.654 1 89.389 ? 54 TYR F C 1 6 +ATOM 7979 O O . TYR F 3 54 ? 53.028 -19.775 -77.323 1 84.171 ? 54 TYR F O 1 6 +ATOM 7980 C CB . TYR F 3 54 ? 50.168 -20.28 -75.809 1 97.164 ? 54 TYR F CB 1 6 +ATOM 7981 C CG . TYR F 3 54 ? 51.175 -20.454 -74.683 1 108.586 ? 54 TYR F CG 1 6 +ATOM 7982 C CD1 . TYR F 3 54 ? 51.39 -19.42 -73.77 1 108.26 ? 54 TYR F CD1 1 6 +ATOM 7983 C CD2 . TYR F 3 54 ? 51.972 -21.595 -74.581 1 120.108 ? 54 TYR F CD2 1 6 +ATOM 7984 C CE1 . TYR F 3 54 ? 52.333 -19.531 -72.767 1 108.607 ? 54 TYR F CE1 1 6 +ATOM 7985 C CE2 . TYR F 3 54 ? 52.904 -21.726 -73.56 1 120.575 ? 54 TYR F CE2 1 6 +ATOM 7986 C CZ . TYR F 3 54 ? 53.079 -20.686 -72.654 1 111.767 ? 54 TYR F CZ 1 6 +ATOM 7987 O OH . TYR F 3 54 ? 53.956 -20.658 -71.614 1 107.979 ? 54 TYR F OH 1 6 +ATOM 7988 N N . SER F 3 55 ? 51.506 -20.633 -78.718 1 92.215 ? 55 SER F N 1 6 +ATOM 7989 C CA . SER F 3 55 ? 52.51 -21.267 -79.541 1 101.943 ? 55 SER F CA 1 6 +ATOM 7990 C C . SER F 3 55 ? 52.921 -20.33 -80.672 1 96.87 ? 55 SER F C 1 6 +ATOM 7991 O O . SER F 3 55 ? 53.322 -20.805 -81.718 1 100.595 ? 55 SER F O 1 6 +ATOM 7992 C CB . SER F 3 55 ? 52.005 -22.601 -80.031 1 121.659 ? 55 SER F CB 1 6 +ATOM 7993 O OG . SER F 3 55 ? 50.627 -22.535 -80.372 1 133.883 ? 55 SER F OG 1 6 +ATOM 7994 N N . GLN F 3 56 ? 52.826 -19.012 -80.438 1 97.673 ? 56 GLN F N 1 6 +ATOM 7995 C CA . GLN F 3 56 ? 53.235 -17.953 -81.354 1 91.151 ? 56 GLN F CA 1 6 +ATOM 7996 C C . GLN F 3 56 ? 52.637 -18.124 -82.742 1 76.925 ? 56 GLN F C 1 6 +ATOM 7997 O O . GLN F 3 56 ? 53.264 -17.737 -83.718 1 73.464 ? 56 GLN F O 1 6 +ATOM 7998 C CB . GLN F 3 56 ? 54.757 -17.84 -81.467 1 99.487 ? 56 GLN F CB 1 6 +ATOM 7999 C CG . GLN F 3 56 ? 55.415 -17.423 -80.161 1 106.366 ? 56 GLN F CG 1 6 +ATOM 8000 C CD . GLN F 3 56 ? 56.837 -17.907 -80.016 1 116.043 ? 56 GLN F CD 1 6 +ATOM 8001 O OE1 . GLN F 3 56 ? 57.374 -18.656 -80.836 1 126.317 ? 56 GLN F OE1 1 6 +ATOM 8002 N NE2 . GLN F 3 56 ? 57.457 -17.496 -78.926 1 131.459 ? 56 GLN F NE2 1 6 +ATOM 8003 N N . GLN F 3 57 ? 51.409 -18.628 -82.816 1 79.054 ? 57 GLN F N 1 6 +ATOM 8004 C CA . GLN F 3 57 ? 50.713 -18.688 -84.09 1 92.967 ? 57 GLN F CA 1 6 +ATOM 8005 C C . GLN F 3 57 ? 49.837 -17.445 -84.208 1 88.912 ? 57 GLN F C 1 6 +ATOM 8006 O O . GLN F 3 57 ? 49.012 -17.229 -83.329 1 101.976 ? 57 GLN F O 1 6 +ATOM 8007 C CB . GLN F 3 57 ? 49.839 -19.941 -84.193 1 103.726 ? 57 GLN F CB 1 6 +ATOM 8008 C CG . GLN F 3 57 ? 50.488 -21.264 -83.798 1 110.54 ? 57 GLN F CG 1 6 +ATOM 8009 C CD . GLN F 3 57 ? 49.655 -22.455 -84.226 1 106.691 ? 57 GLN F CD 1 6 +ATOM 8010 O OE1 . GLN F 3 57 ? 49.751 -22.957 -85.354 1 108.935 ? 57 GLN F OE1 1 6 +ATOM 8011 N NE2 . GLN F 3 57 ? 48.729 -22.836 -83.361 1 105.601 ? 57 GLN F NE2 1 6 +ATOM 8012 N N . LEU F 3 58 ? 49.957 -16.649 -85.28 1 81.006 ? 58 LEU F N 1 6 +ATOM 8013 C CA . LEU F 3 58 ? 49.085 -15.492 -85.379 1 77.627 ? 58 LEU F CA 1 6 +ATOM 8014 C C . LEU F 3 58 ? 48.104 -15.554 -86.554 1 80.144 ? 58 LEU F C 1 6 +ATOM 8015 O O . LEU F 3 58 ? 48.374 -16.139 -87.593 1 79.47 ? 58 LEU F O 1 6 +ATOM 8016 C CB . LEU F 3 58 ? 49.834 -14.166 -85.307 1 81.768 ? 58 LEU F CB 1 6 +ATOM 8017 C CG . LEU F 3 58 ? 51.305 -14.12 -85.7 1 87.987 ? 58 LEU F CG 1 6 +ATOM 8018 C CD1 . LEU F 3 58 ? 51.469 -13.915 -87.19 1 95.32 ? 58 LEU F CD1 1 6 +ATOM 8019 C CD2 . LEU F 3 58 ? 51.883 -12.963 -84.903 1 87.871 ? 58 LEU F CD2 1 6 +ATOM 8020 N N . GLN F 3 59 ? 46.917 -14.981 -86.3 1 89.827 ? 59 GLN F N 1 6 +ATOM 8021 C CA . GLN F 3 59 ? 45.825 -14.852 -87.254 1 95.777 ? 59 GLN F CA 1 6 +ATOM 8022 C C . GLN F 3 59 ? 45.604 -13.373 -87.575 1 85.375 ? 59 GLN F C 1 6 +ATOM 8023 O O . GLN F 3 59 ? 44.992 -12.681 -86.774 1 87.118 ? 59 GLN F O 1 6 +ATOM 8024 C CB . GLN F 3 59 ? 44.545 -15.421 -86.634 1 99.64 ? 59 GLN F CB 1 6 +ATOM 8025 C CG . GLN F 3 59 ? 43.314 -15.397 -87.545 1 114.352 ? 59 GLN F CG 1 6 +ATOM 8026 C CD . GLN F 3 59 ? 41.984 -15.42 -86.808 1 120.517 ? 59 GLN F CD 1 6 +ATOM 8027 O OE1 . GLN F 3 59 ? 41.838 -14.913 -85.689 1 112.088 ? 59 GLN F OE1 1 6 +ATOM 8028 N NE2 . GLN F 3 59 ? 40.97 -15.985 -87.448 1 126.453 ? 59 GLN F NE2 1 6 +ATOM 8029 N N . VAL F 3 60 ? 46.105 -12.902 -88.73 1 82.298 ? 60 VAL F N 1 6 +ATOM 8030 C CA . VAL F 3 60 ? 46.077 -11.485 -89.09 1 80.008 ? 60 VAL F CA 1 6 +ATOM 8031 C C . VAL F 3 60 ? 44.895 -11.191 -90.023 1 77.333 ? 60 VAL F C 1 6 +ATOM 8032 O O . VAL F 3 60 ? 44.778 -11.819 -91.063 1 83.446 ? 60 VAL F O 1 6 +ATOM 8033 C CB . VAL F 3 60 ? 47.414 -11.058 -89.738 1 82.966 ? 60 VAL F CB 1 6 +ATOM 8034 C CG1 . VAL F 3 60 ? 47.371 -9.588 -90.133 1 86.84 ? 60 VAL F CG1 1 6 +ATOM 8035 C CG2 . VAL F 3 60 ? 48.625 -11.364 -88.838 1 80.556 ? 60 VAL F CG2 1 6 +ATOM 8036 N N . TYR F 3 61 ? 44.042 -10.194 -89.728 1 83.026 ? 61 TYR F N 1 6 +ATOM 8037 C CA . TYR F 3 61 ? 42.873 -9.965 -90.583 1 87.856 ? 61 TYR F CA 1 6 +ATOM 8038 C C . TYR F 3 61 ? 42.418 -8.506 -90.525 1 76.226 ? 61 TYR F C 1 6 +ATOM 8039 O O . TYR F 3 61 ? 42.788 -7.766 -89.634 1 76.961 ? 61 TYR F O 1 6 +ATOM 8040 C CB . TYR F 3 61 ? 41.692 -10.897 -90.269 1 93.947 ? 61 TYR F CB 1 6 +ATOM 8041 C CG . TYR F 3 61 ? 40.953 -10.52 -88.998 1 88.091 ? 61 TYR F CG 1 6 +ATOM 8042 C CD1 . TYR F 3 61 ? 41.377 -10.984 -87.761 1 90.028 ? 61 TYR F CD1 1 6 +ATOM 8043 C CD2 . TYR F 3 61 ? 39.829 -9.707 -89.037 1 86.982 ? 61 TYR F CD2 1 6 +ATOM 8044 C CE1 . TYR F 3 61 ? 40.717 -10.629 -86.596 1 94.244 ? 61 TYR F CE1 1 6 +ATOM 8045 C CE2 . TYR F 3 61 ? 39.161 -9.348 -87.877 1 95.929 ? 61 TYR F CE2 1 6 +ATOM 8046 C CZ . TYR F 3 61 ? 39.604 -9.806 -86.646 1 96.717 ? 61 TYR F CZ 1 6 +ATOM 8047 O OH . TYR F 3 61 ? 38.95 -9.427 -85.498 1 95.025 ? 61 TYR F OH 1 6 +ATOM 8048 N N . SER F 3 62 ? 41.652 -8.091 -91.539 1 78.992 ? 62 SER F N 1 6 +ATOM 8049 C CA . SER F 3 62 ? 41.141 -6.734 -91.647 1 76.994 ? 62 SER F CA 1 6 +ATOM 8050 C C . SER F 3 62 ? 39.674 -6.776 -92.026 1 72.239 ? 62 SER F C 1 6 +ATOM 8051 O O . SER F 3 62 ? 39.384 -7.271 -93.099 1 74.075 ? 62 SER F O 1 6 +ATOM 8052 C CB . SER F 3 62 ? 41.889 -5.927 -92.678 1 79.344 ? 62 SER F CB 1 6 +ATOM 8053 O OG . SER F 3 62 ? 41.268 -4.652 -92.815 1 83.46 ? 62 SER F OG 1 6 +ATOM 8054 N N . LYS F 3 63 ? 38.796 -6.185 -91.208 1 78.267 ? 63 LYS F N 1 6 +ATOM 8055 C CA . LYS F 3 63 ? 37.378 -6.119 -91.532 1 89.712 ? 63 LYS F CA 1 6 +ATOM 8056 C C . LYS F 3 63 ? 37.019 -4.813 -92.252 1 90.657 ? 63 LYS F C 1 6 +ATOM 8057 O O . LYS F 3 63 ? 35.854 -4.618 -92.583 1 101.247 ? 63 LYS F O 1 6 +ATOM 8058 C CB . LYS F 3 63 ? 36.541 -6.376 -90.269 1 90.434 ? 63 LYS F CB 1 6 +ATOM 8059 C CG . LYS F 3 63 ? 36.53 -7.816 -89.764 1 94.758 ? 63 LYS F CG 1 6 +ATOM 8060 C CD . LYS F 3 63 ? 35.375 -8.73 -90.217 1 100.818 ? 63 LYS F CD 1 6 +ATOM 8061 C CE . LYS F 3 63 ? 35.334 -10.122 -89.606 1 101.171 ? 63 LYS F CE 1 6 +ATOM 8062 N NZ . LYS F 3 63 ? 36.51 -10.98 -89.88 1 99.9 ? 63 LYS F NZ 1 6 +ATOM 8063 N N . THR F 3 64 ? 38.02 -3.982 -92.58 1 84.958 ? 64 THR F N 1 6 +ATOM 8064 C CA . THR F 3 64 ? 37.78 -2.673 -93.16 1 85.337 ? 64 THR F CA 1 6 +ATOM 8065 C C . THR F 3 64 ? 38.387 -2.552 -94.56 1 92.258 ? 64 THR F C 1 6 +ATOM 8066 O O . THR F 3 64 ? 38.491 -1.445 -95.066 1 91.358 ? 64 THR F O 1 6 +ATOM 8067 C CB . THR F 3 64 ? 38.33 -1.594 -92.226 1 86.378 ? 64 THR F CB 1 6 +ATOM 8068 O OG1 . THR F 3 64 ? 39.693 -1.91 -91.925 1 92.481 ? 64 THR F OG1 1 6 +ATOM 8069 C CG2 . THR F 3 64 ? 37.521 -1.49 -90.943 1 87.504 ? 64 THR F CG2 1 6 +ATOM 8070 N N . GLY F 3 65 ? 38.778 -3.667 -95.188 1 98.956 ? 65 GLY F N 1 6 +ATOM 8071 C CA . GLY F 3 65 ? 39.193 -3.651 -96.579 1 90.66 ? 65 GLY F CA 1 6 +ATOM 8072 C C . GLY F 3 65 ? 40.663 -3.282 -96.768 1 83.121 ? 65 GLY F C 1 6 +ATOM 8073 O O . GLY F 3 65 ? 41.027 -2.915 -97.869 1 82.552 ? 65 GLY F O 1 6 +ATOM 8074 N N . PHE F 3 66 ? 41.526 -3.491 -95.766 1 82.156 ? 66 PHE F N 1 6 +ATOM 8075 C CA . PHE F 3 66 ? 42.952 -3.23 -95.905 1 84.652 ? 66 PHE F CA 1 6 +ATOM 8076 C C . PHE F 3 66 ? 43.716 -4.496 -96.287 1 85.487 ? 66 PHE F C 1 6 +ATOM 8077 O O . PHE F 3 66 ? 43.362 -5.602 -95.852 1 85 ? 66 PHE F O 1 6 +ATOM 8078 C CB . PHE F 3 66 ? 43.493 -2.699 -94.58 1 85.923 ? 66 PHE F CB 1 6 +ATOM 8079 C CG . PHE F 3 66 ? 43.257 -1.219 -94.37 1 85.854 ? 66 PHE F CG 1 6 +ATOM 8080 C CD1 . PHE F 3 66 ? 42.014 -0.746 -93.944 1 85.934 ? 66 PHE F CD1 1 6 +ATOM 8081 C CD2 . PHE F 3 66 ? 44.302 -0.32 -94.58 1 79.035 ? 66 PHE F CD2 1 6 +ATOM 8082 C CE1 . PHE F 3 66 ? 41.821 0.614 -93.75 1 87.343 ? 66 PHE F CE1 1 6 +ATOM 8083 C CE2 . PHE F 3 66 ? 44.095 1.039 -94.4 1 80.177 ? 66 PHE F CE2 1 6 +ATOM 8084 C CZ . PHE F 3 66 ? 42.855 1.5 -93.991 1 86.558 ? 66 PHE F CZ 1 6 +ATOM 8085 N N . ASN F 3 67 ? 44.785 -4.308 -97.08 1 87.171 ? 67 ASN F N 1 6 +ATOM 8086 C CA . ASN F 3 67 ? 45.708 -5.399 -97.362 1 91.003 ? 67 ASN F CA 1 6 +ATOM 8087 C C . ASN F 3 67 ? 46.725 -5.407 -96.235 1 90.092 ? 67 ASN F C 1 6 +ATOM 8088 O O . ASN F 3 67 ? 47.802 -4.87 -96.381 1 86.868 ? 67 ASN F O 1 6 +ATOM 8089 C CB . ASN F 3 67 ? 46.342 -5.357 -98.754 1 90.234 ? 67 ASN F CB 1 6 +ATOM 8090 C CG . ASN F 3 67 ? 47.071 -6.644 -99.112 1 89.795 ? 67 ASN F CG 1 6 +ATOM 8091 O OD1 . ASN F 3 67 ? 47.065 -7.606 -98.333 1 82.662 ? 67 ASN F OD1 1 6 +ATOM 8092 N ND2 . ASN F 3 67 ? 47.685 -6.721 -100.288 1 91.125 ? 67 ASN F ND2 1 6 +ATOM 8093 N N . CYS F 3 68 ? 46.355 -6.065 -95.129 1 100.425 ? 68 CYS F N 1 6 +ATOM 8094 C CA . CYS F 3 68 ? 47.17 -6.1 -93.935 1 92.559 ? 68 CYS F CA 1 6 +ATOM 8095 C C . CYS F 3 68 ? 47.818 -7.471 -93.729 1 91.979 ? 68 CYS F C 1 6 +ATOM 8096 O O . CYS F 3 68 ? 47.194 -8.504 -94.001 1 88.057 ? 68 CYS F O 1 6 +ATOM 8097 C CB . CYS F 3 68 ? 46.309 -5.754 -92.738 1 99.235 ? 68 CYS F CB 1 6 +ATOM 8098 S SG . CYS F 3 68 ? 47.3 -5.575 -91.247 1 117.505 ? 68 CYS F SG 1 6 +ATOM 8099 N N . ASP F 3 69 ? 49.072 -7.436 -93.232 1 85.742 ? 69 ASP F N 1 6 +ATOM 8100 C CA . ASP F 3 69 ? 49.795 -8.632 -92.814 1 94.164 ? 69 ASP F CA 1 6 +ATOM 8101 C C . ASP F 3 69 ? 50.595 -8.356 -91.543 1 83.014 ? 69 ASP F C 1 6 +ATOM 8102 O O . ASP F 3 69 ? 50.937 -7.213 -91.311 1 84.501 ? 69 ASP F O 1 6 +ATOM 8103 C CB . ASP F 3 69 ? 50.67 -9.208 -93.913 1 108.622 ? 69 ASP F CB 1 6 +ATOM 8104 C CG . ASP F 3 69 ? 50.242 -10.637 -94.219 1 126.729 ? 69 ASP F CG 1 6 +ATOM 8105 O OD1 . ASP F 3 69 ? 50.506 -11.555 -93.397 1 125.003 ? 69 ASP F OD1 1 6 +ATOM 8106 O OD2 . ASP F 3 69 ? 49.493 -10.787 -95.196 1 143.94 ? 69 ASP F OD2 1 6 +ATOM 8107 N N . GLY F 3 70 ? 50.896 -9.392 -90.73 1 80.892 ? 70 GLY F N 1 6 +ATOM 8108 C CA . GLY F 3 70 ? 51.558 -9.216 -89.438 1 77.008 ? 70 GLY F CA 1 6 +ATOM 8109 C C . GLY F 3 70 ? 52.719 -10.186 -89.175 1 86.289 ? 70 GLY F C 1 6 +ATOM 8110 O O . GLY F 3 70 ? 52.623 -11.387 -89.444 1 97.361 ? 70 GLY F O 1 6 +ATOM 8111 N N . LYS F 3 71 ? 53.806 -9.661 -88.574 1 90.767 ? 71 LYS F N 1 6 +ATOM 8112 C CA . LYS F 3 71 ? 54.943 -10.453 -88.104 1 97.161 ? 71 LYS F CA 1 6 +ATOM 8113 C C . LYS F 3 71 ? 55.252 -10.134 -86.63 1 96.418 ? 71 LYS F C 1 6 +ATOM 8114 O O . LYS F 3 71 ? 55.36 -8.969 -86.233 1 96.586 ? 71 LYS F O 1 6 +ATOM 8115 C CB . LYS F 3 71 ? 56.167 -10.185 -88.996 1 101.367 ? 71 LYS F CB 1 6 +ATOM 8116 C CG . LYS F 3 71 ? 57.542 -10.751 -88.57 1 109.619 ? 71 LYS F CG 1 6 +ATOM 8117 C CD . LYS F 3 71 ? 57.985 -12.103 -89.134 1 122.898 ? 71 LYS F CD 1 6 +ATOM 8118 C CE . LYS F 3 71 ? 57.129 -13.281 -88.73 1 130.431 ? 71 LYS F CE 1 6 +ATOM 8119 N NZ . LYS F 3 71 ? 57.198 -13.648 -87.308 1 127.942 ? 71 LYS F NZ 1 6 +ATOM 8120 N N . LEU F 3 72 ? 55.429 -11.192 -85.818 1 94.874 ? 72 LEU F N 1 6 +ATOM 8121 C CA . LEU F 3 72 ? 55.732 -11.06 -84.397 1 88.11 ? 72 LEU F CA 1 6 +ATOM 8122 C C . LEU F 3 72 ? 57.241 -11.004 -84.178 1 98.407 ? 72 LEU F C 1 6 +ATOM 8123 O O . LEU F 3 72 ? 58.001 -11.735 -84.809 1 101.359 ? 72 LEU F O 1 6 +ATOM 8124 C CB . LEU F 3 72 ? 55.139 -12.256 -83.664 1 85.142 ? 72 LEU F CB 1 6 +ATOM 8125 C CG . LEU F 3 72 ? 55.442 -12.367 -82.171 1 88.902 ? 72 LEU F CG 1 6 +ATOM 8126 C CD1 . LEU F 3 72 ? 54.751 -11.236 -81.408 1 95.831 ? 72 LEU F CD1 1 6 +ATOM 8127 C CD2 . LEU F 3 72 ? 55.026 -13.76 -81.714 1 86 ? 72 LEU F CD2 1 6 +ATOM 8128 N N . GLY F 3 73 ? 57.676 -10.14 -83.261 1 103.16 ? 73 GLY F N 1 6 +ATOM 8129 C CA . GLY F 3 73 ? 59.096 -10.006 -82.989 1 105.528 ? 73 GLY F CA 1 6 +ATOM 8130 C C . GLY F 3 73 ? 59.356 -9.494 -81.576 1 119.983 ? 73 GLY F C 1 6 +ATOM 8131 O O . GLY F 3 73 ? 59.573 -8.297 -81.382 1 135.284 ? 73 GLY F O 1 6 +ATOM 8132 N N . ASN F 3 74 ? 59.335 -10.419 -80.612 1 118.662 ? 74 ASN F N 1 6 +ATOM 8133 C CA . ASN F 3 74 ? 59.833 -10.184 -79.265 1 123.785 ? 74 ASN F CA 1 6 +ATOM 8134 C C . ASN F 3 74 ? 58.902 -9.184 -78.592 1 119.644 ? 74 ASN F C 1 6 +ATOM 8135 O O . ASN F 3 74 ? 57.79 -9.569 -78.209 1 135.486 ? 74 ASN F O 1 6 +ATOM 8136 C CB . ASN F 3 74 ? 61.336 -9.893 -79.273 1 136.69 ? 74 ASN F CB 1 6 +ATOM 8137 C CG . ASN F 3 74 ? 61.932 -9.991 -77.892 1 141.134 ? 74 ASN F CG 1 6 +ATOM 8138 O OD1 . ASN F 3 74 ? 61.502 -10.847 -77.111 1 140.834 ? 74 ASN F OD1 1 6 +ATOM 8139 N ND2 . ASN F 3 74 ? 62.913 -9.148 -77.58 1 153.23 ? 74 ASN F ND2 1 6 +ATOM 8140 N N . GLU F 3 75 ? 59.332 -7.911 -78.513 1 105.794 ? 75 GLU F N 1 6 +ATOM 8141 C CA . GLU F 3 75 ? 58.539 -6.882 -77.869 1 95.595 ? 75 GLU F CA 1 6 +ATOM 8142 C C . GLU F 3 75 ? 57.913 -5.983 -78.935 1 86.641 ? 75 GLU F C 1 6 +ATOM 8143 O O . GLU F 3 75 ? 57.756 -4.796 -78.71 1 94.344 ? 75 GLU F O 1 6 +ATOM 8144 C CB . GLU F 3 75 ? 59.353 -6.171 -76.782 1 111.727 ? 75 GLU F CB 1 6 +ATOM 8145 C CG . GLU F 3 75 ? 60.775 -5.774 -77.183 1 127.499 ? 75 GLU F CG 1 6 +ATOM 8146 C CD . GLU F 3 75 ? 61.507 -4.758 -76.297 1 137.784 ? 75 GLU F CD 1 6 +ATOM 8147 O OE1 . GLU F 3 75 ? 60.849 -3.88 -75.66 1 129.256 ? 75 GLU F OE1 1 6 +ATOM 8148 O OE2 . GLU F 3 75 ? 62.765 -4.86 -76.24 1 130.438 ? 75 GLU F OE2 1 6 +ATOM 8149 N N . SER F 3 76 ? 57.436 -6.569 -80.04 1 91.397 ? 76 SER F N 1 6 +ATOM 8150 C CA . SER F 3 76 ? 56.867 -5.798 -81.136 1 87.461 ? 76 SER F CA 1 6 +ATOM 8151 C C . SER F 3 76 ? 55.968 -6.642 -82.042 1 80.359 ? 76 SER F C 1 6 +ATOM 8152 O O . SER F 3 76 ? 56.094 -7.861 -82.147 1 82.669 ? 76 SER F O 1 6 +ATOM 8153 C CB . SER F 3 76 ? 57.955 -5.156 -81.957 1 85.576 ? 76 SER F CB 1 6 +ATOM 8154 O OG . SER F 3 76 ? 58.618 -6.127 -82.753 1 86.038 ? 76 SER F OG 1 6 +ATOM 8155 N N . VAL F 3 77 ? 55.092 -5.924 -82.737 1 73.707 ? 77 VAL F N 1 6 +ATOM 8156 C CA . VAL F 3 77 ? 54.284 -6.458 -83.816 1 80.646 ? 77 VAL F CA 1 6 +ATOM 8157 C C . VAL F 3 77 ? 54.55 -5.547 -85.012 1 77.708 ? 77 VAL F C 1 6 +ATOM 8158 O O . VAL F 3 77 ? 54.556 -4.336 -84.84 1 88.251 ? 77 VAL F O 1 6 +ATOM 8159 C CB . VAL F 3 77 ? 52.784 -6.499 -83.412 1 74.235 ? 77 VAL F CB 1 6 +ATOM 8160 C CG1 . VAL F 3 77 ? 51.85 -6.62 -84.613 1 67.93 ? 77 VAL F CG1 1 6 +ATOM 8161 C CG2 . VAL F 3 77 ? 52.483 -7.613 -82.419 1 68.34 ? 77 VAL F CG2 1 6 +ATOM 8162 N N . THR F 3 78 ? 54.764 -6.112 -86.205 1 76.245 ? 78 THR F N 1 6 +ATOM 8163 C CA . THR F 3 78 ? 54.888 -5.292 -87.401 1 75.54 ? 78 THR F CA 1 6 +ATOM 8164 C C . THR F 3 78 ? 53.652 -5.452 -88.289 1 81.561 ? 78 THR F C 1 6 +ATOM 8165 O O . THR F 3 78 ? 53.317 -6.569 -88.679 1 102.365 ? 78 THR F O 1 6 +ATOM 8166 C CB . THR F 3 78 ? 56.158 -5.627 -88.175 1 66.781 ? 78 THR F CB 1 6 +ATOM 8167 O OG1 . THR F 3 78 ? 57.197 -5.499 -87.213 1 64.052 ? 78 THR F OG1 1 6 +ATOM 8168 C CG2 . THR F 3 78 ? 56.338 -4.675 -89.347 1 69.016 ? 78 THR F CG2 1 6 +ATOM 8169 N N . PHE F 3 79 ? 53.019 -4.32 -88.637 1 66.808 ? 79 PHE F N 1 6 +ATOM 8170 C CA . PHE F 3 79 ? 51.94 -4.315 -89.601 1 68.173 ? 79 PHE F CA 1 6 +ATOM 8171 C C . PHE F 3 79 ? 52.487 -3.929 -90.977 1 71.854 ? 79 PHE F C 1 6 +ATOM 8172 O O . PHE F 3 79 ? 53.018 -2.843 -91.187 1 82.742 ? 79 PHE F O 1 6 +ATOM 8173 C CB . PHE F 3 79 ? 50.856 -3.352 -89.138 1 74.137 ? 79 PHE F CB 1 6 +ATOM 8174 C CG . PHE F 3 79 ? 50.259 -3.701 -87.792 1 76.472 ? 79 PHE F CG 1 6 +ATOM 8175 C CD1 . PHE F 3 79 ? 49.132 -4.516 -87.723 1 77.619 ? 79 PHE F CD1 1 6 +ATOM 8176 C CD2 . PHE F 3 79 ? 50.772 -3.145 -86.623 1 74.333 ? 79 PHE F CD2 1 6 +ATOM 8177 C CE1 . PHE F 3 79 ? 48.562 -4.82 -86.494 1 69.758 ? 79 PHE F CE1 1 6 +ATOM 8178 C CE2 . PHE F 3 79 ? 50.209 -3.474 -85.404 1 77.154 ? 79 PHE F CE2 1 6 +ATOM 8179 C CZ . PHE F 3 79 ? 49.116 -4.325 -85.345 1 71.938 ? 79 PHE F CZ 1 6 +ATOM 8180 N N . TYR F 3 80 ? 52.34 -4.856 -91.927 1 75.405 ? 80 TYR F N 1 6 +ATOM 8181 C CA . TYR F 3 80 ? 52.687 -4.612 -93.313 1 77.583 ? 80 TYR F CA 1 6 +ATOM 8182 C C . TYR F 3 80 ? 51.436 -4.153 -94.058 1 79.353 ? 80 TYR F C 1 6 +ATOM 8183 O O . TYR F 3 80 ? 50.639 -5.001 -94.453 1 86.567 ? 80 TYR F O 1 6 +ATOM 8184 C CB . TYR F 3 80 ? 53.271 -5.905 -93.897 1 75.157 ? 80 TYR F CB 1 6 +ATOM 8185 C CG . TYR F 3 80 ? 54.528 -6.399 -93.206 1 74.155 ? 80 TYR F CG 1 6 +ATOM 8186 C CD1 . TYR F 3 80 ? 55.783 -5.864 -93.482 1 82.088 ? 80 TYR F CD1 1 6 +ATOM 8187 C CD2 . TYR F 3 80 ? 54.447 -7.419 -92.277 1 79.633 ? 80 TYR F CD2 1 6 +ATOM 8188 C CE1 . TYR F 3 80 ? 56.924 -6.352 -92.863 1 86.078 ? 80 TYR F CE1 1 6 +ATOM 8189 C CE2 . TYR F 3 80 ? 55.576 -7.902 -91.643 1 88.542 ? 80 TYR F CE2 1 6 +ATOM 8190 C CZ . TYR F 3 80 ? 56.816 -7.365 -91.934 1 89.436 ? 80 TYR F CZ 1 6 +ATOM 8191 O OH . TYR F 3 80 ? 57.932 -7.821 -91.306 1 95.385 ? 80 TYR F OH 1 6 +ATOM 8192 N N . LEU F 3 81 ? 51.275 -2.837 -94.285 1 76.997 ? 81 LEU F N 1 6 +ATOM 8193 C CA . LEU F 3 81 ? 50.16 -2.381 -95.115 1 82.68 ? 81 LEU F CA 1 6 +ATOM 8194 C C . LEU F 3 81 ? 50.596 -2.296 -96.584 1 74.181 ? 81 LEU F C 1 6 +ATOM 8195 O O . LEU F 3 81 ? 51.519 -1.563 -96.926 1 67.107 ? 81 LEU F O 1 6 +ATOM 8196 C CB . LEU F 3 81 ? 49.509 -1.068 -94.67 1 93.096 ? 81 LEU F CB 1 6 +ATOM 8197 C CG . LEU F 3 81 ? 49.306 -0.883 -93.162 1 101.469 ? 81 LEU F CG 1 6 +ATOM 8198 C CD1 . LEU F 3 81 ? 48.855 0.516 -92.756 1 101.026 ? 81 LEU F CD1 1 6 +ATOM 8199 C CD2 . LEU F 3 81 ? 48.31 -1.873 -92.649 1 101.001 ? 81 LEU F CD2 1 6 +ATOM 8200 N N . GLN F 3 82 ? 49.878 -3.02 -97.457 1 73.948 ? 82 GLN F N 1 6 +ATOM 8201 C CA . GLN F 3 82 ? 50.037 -2.899 -98.899 1 79.554 ? 82 GLN F CA 1 6 +ATOM 8202 C C . GLN F 3 82 ? 48.773 -2.303 -99.516 1 76.745 ? 82 GLN F C 1 6 +ATOM 8203 O O . GLN F 3 82 ? 47.752 -2.189 -98.858 1 68.855 ? 82 GLN F O 1 6 +ATOM 8204 C CB . GLN F 3 82 ? 50.278 -4.244 -99.582 1 88.273 ? 82 GLN F CB 1 6 +ATOM 8205 C CG . GLN F 3 82 ? 51.518 -4.974 -99.091 1 86.752 ? 82 GLN F CG 1 6 +ATOM 8206 C CD . GLN F 3 82 ? 51.181 -5.963 -98.005 1 84.604 ? 82 GLN F CD 1 6 +ATOM 8207 O OE1 . GLN F 3 82 ? 50.076 -6.492 -97.957 1 76.932 ? 82 GLN F OE1 1 6 +ATOM 8208 N NE2 . GLN F 3 82 ? 52.128 -6.221 -97.12 1 97.313 ? 82 GLN F NE2 1 6 +ATOM 8209 N N . ASN F 3 83 ? 48.876 -1.888 -100.788 1 83.76 ? 83 ASN F N 1 6 +ATOM 8210 C CA . ASN F 3 83 ? 47.764 -1.343 -101.561 1 82.184 ? 83 ASN F CA 1 6 +ATOM 8211 C C . ASN F 3 83 ? 47.023 -0.189 -100.845 1 72.985 ? 83 ASN F C 1 6 +ATOM 8212 O O . ASN F 3 83 ? 45.81 -0.009 -100.981 1 71.708 ? 83 ASN F O 1 6 +ATOM 8213 C CB . ASN F 3 83 ? 46.865 -2.497 -101.998 1 77.885 ? 83 ASN F CB 1 6 +ATOM 8214 C CG . ASN F 3 83 ? 47.521 -3.368 -103.041 1 73.877 ? 83 ASN F CG 1 6 +ATOM 8215 O OD1 . ASN F 3 83 ? 47.782 -4.54 -102.769 1 81.203 ? 83 ASN F OD1 1 6 +ATOM 8216 N ND2 . ASN F 3 83 ? 47.756 -2.839 -104.234 1 71.863 ? 83 ASN F ND2 1 6 +ATOM 8217 N N . LEU F 3 84 ? 47.748 0.641 -100.099 1 64.85 ? 84 LEU F N 1 6 +ATOM 8218 C CA . LEU F 3 84 ? 47.153 1.804 -99.463 1 66.741 ? 84 LEU F CA 1 6 +ATOM 8219 C C . LEU F 3 84 ? 46.735 2.816 -100.532 1 78.606 ? 84 LEU F C 1 6 +ATOM 8220 O O . LEU F 3 84 ? 47.473 3.06 -101.482 1 84.753 ? 84 LEU F O 1 6 +ATOM 8221 C CB . LEU F 3 84 ? 48.135 2.452 -98.488 1 59.338 ? 84 LEU F CB 1 6 +ATOM 8222 C CG . LEU F 3 84 ? 48.231 1.847 -97.088 1 60.368 ? 84 LEU F CG 1 6 +ATOM 8223 C CD1 . LEU F 3 84 ? 49.458 2.403 -96.392 1 63.45 ? 84 LEU F CD1 1 6 +ATOM 8224 C CD2 . LEU F 3 84 ? 47.001 2.087 -96.249 1 61.024 ? 84 LEU F CD2 1 6 +ATOM 8225 N N . TYR F 3 85 ? 45.581 3.463 -100.322 1 85.722 ? 85 TYR F N 1 6 +ATOM 8226 C CA . TYR F 3 85 ? 45.154 4.564 -101.176 1 81.925 ? 85 TYR F CA 1 6 +ATOM 8227 C C . TYR F 3 85 ? 45.732 5.886 -100.653 1 76.017 ? 85 TYR F C 1 6 +ATOM 8228 O O . TYR F 3 85 ? 46.015 6.08 -99.467 1 68.78 ? 85 TYR F O 1 6 +ATOM 8229 C CB . TYR F 3 85 ? 43.618 4.626 -101.255 1 84.358 ? 85 TYR F CB 1 6 +ATOM 8230 C CG . TYR F 3 85 ? 42.954 3.356 -101.795 1 77.214 ? 85 TYR F CG 1 6 +ATOM 8231 C CD1 . TYR F 3 85 ? 43.246 2.861 -103.045 1 78.308 ? 85 TYR F CD1 1 6 +ATOM 8232 C CD2 . TYR F 3 85 ? 42.003 2.673 -101.066 1 77.794 ? 85 TYR F CD2 1 6 +ATOM 8233 C CE1 . TYR F 3 85 ? 42.697 1.682 -103.509 1 87.14 ? 85 TYR F CE1 1 6 +ATOM 8234 C CE2 . TYR F 3 85 ? 41.383 1.535 -101.543 1 85.713 ? 85 TYR F CE2 1 6 +ATOM 8235 C CZ . TYR F 3 85 ? 41.749 1.015 -102.764 1 95.402 ? 85 TYR F CZ 1 6 +ATOM 8236 O OH . TYR F 3 85 ? 41.198 -0.143 -103.254 1 117.928 ? 85 TYR F OH 1 6 +ATOM 8237 N N . VAL F 3 86 ? 45.854 6.858 -101.541 1 75.7 ? 86 VAL F N 1 6 +ATOM 8238 C CA . VAL F 3 86 ? 46.365 8.145 -101.124 1 72.504 ? 86 VAL F CA 1 6 +ATOM 8239 C C . VAL F 3 86 ? 45.399 8.774 -100.114 1 67.828 ? 86 VAL F C 1 6 +ATOM 8240 O O . VAL F 3 86 ? 45.844 9.51 -99.25 1 68.764 ? 86 VAL F O 1 6 +ATOM 8241 C CB . VAL F 3 86 ? 46.599 9.027 -102.359 1 78.994 ? 86 VAL F CB 1 6 +ATOM 8242 C CG1 . VAL F 3 86 ? 45.32 9.204 -103.182 1 87.996 ? 86 VAL F CG1 1 6 +ATOM 8243 C CG2 . VAL F 3 86 ? 47.166 10.38 -101.961 1 90.88 ? 86 VAL F CG2 1 6 +ATOM 8244 N N . ASN F 3 87 ? 44.087 8.497 -100.218 1 71.21 ? 87 ASN F N 1 6 +ATOM 8245 C CA . ASN F 3 87 ? 43.085 9.056 -99.307 1 66.181 ? 87 ASN F CA 1 6 +ATOM 8246 C C . ASN F 3 87 ? 43.07 8.341 -97.943 1 66.354 ? 87 ASN F C 1 6 +ATOM 8247 O O . ASN F 3 87 ? 42.276 8.623 -97.048 1 62.959 ? 87 ASN F O 1 6 +ATOM 8248 C CB . ASN F 3 87 ? 41.708 9.072 -99.959 1 71.314 ? 87 ASN F CB 1 6 +ATOM 8249 C CG . ASN F 3 87 ? 41.187 7.696 -100.267 1 76.618 ? 87 ASN F CG 1 6 +ATOM 8250 O OD1 . ASN F 3 87 ? 41.52 6.743 -99.558 1 85.589 ? 87 ASN F OD1 1 6 +ATOM 8251 N ND2 . ASN F 3 87 ? 40.368 7.591 -101.307 1 82.653 ? 87 ASN F ND2 1 6 +ATOM 8252 N N . GLN F 3 88 ? 44.008 7.424 -97.738 1 71.948 ? 88 GLN F N 1 6 +ATOM 8253 C CA . GLN F 3 88 ? 44.142 6.748 -96.458 1 77.519 ? 88 GLN F CA 1 6 +ATOM 8254 C C . GLN F 3 88 ? 45.237 7.368 -95.589 1 78.716 ? 88 GLN F C 1 6 +ATOM 8255 O O . GLN F 3 88 ? 45.584 6.869 -94.52 1 83.577 ? 88 GLN F O 1 6 +ATOM 8256 C CB . GLN F 3 88 ? 44.444 5.279 -96.748 1 83.662 ? 88 GLN F CB 1 6 +ATOM 8257 C CG . GLN F 3 88 ? 43.289 4.346 -96.421 1 76.415 ? 88 GLN F CG 1 6 +ATOM 8258 C CD . GLN F 3 88 ? 43.104 3.277 -97.456 1 70.224 ? 88 GLN F CD 1 6 +ATOM 8259 O OE1 . GLN F 3 88 ? 44.021 2.569 -97.882 1 68.534 ? 88 GLN F OE1 1 6 +ATOM 8260 N NE2 . GLN F 3 88 ? 41.86 3.19 -97.859 1 89.483 ? 88 GLN F NE2 1 6 +ATOM 8261 N N . THR F 3 89 ? 45.781 8.486 -96.036 1 77.906 ? 89 THR F N 1 6 +ATOM 8262 C CA . THR F 3 89 ? 46.703 9.261 -95.234 1 74.3 ? 89 THR F CA 1 6 +ATOM 8263 C C . THR F 3 89 ? 45.963 9.65 -93.957 1 69.43 ? 89 THR F C 1 6 +ATOM 8264 O O . THR F 3 89 ? 44.892 10.258 -94.029 1 62.997 ? 89 THR F O 1 6 +ATOM 8265 C CB . THR F 3 89 ? 47.116 10.469 -96.076 1 78.532 ? 89 THR F CB 1 6 +ATOM 8266 O OG1 . THR F 3 89 ? 47.749 9.965 -97.258 1 90.618 ? 89 THR F OG1 1 6 +ATOM 8267 C CG2 . THR F 3 89 ? 47.975 11.45 -95.301 1 80.403 ? 89 THR F CG2 1 6 +ATOM 8268 N N . ASP F 3 90 ? 46.507 9.25 -92.797 1 60.553 ? 90 ASP F N 1 6 +ATOM 8269 C CA . ASP F 3 90 ? 45.874 9.584 -91.535 1 58.477 ? 90 ASP F CA 1 6 +ATOM 8270 C C . ASP F 3 90 ? 46.86 9.339 -90.399 1 55.753 ? 90 ASP F C 1 6 +ATOM 8271 O O . ASP F 3 90 ? 48.025 9.029 -90.614 1 56.72 ? 90 ASP F O 1 6 +ATOM 8272 C CB . ASP F 3 90 ? 44.57 8.812 -91.368 1 65.888 ? 90 ASP F CB 1 6 +ATOM 8273 C CG . ASP F 3 90 ? 43.407 9.509 -90.645 1 70.161 ? 90 ASP F CG 1 6 +ATOM 8274 O OD1 . ASP F 3 90 ? 43.641 10.138 -89.575 1 70.918 ? 90 ASP F OD1 1 6 +ATOM 8275 O OD2 . ASP F 3 90 ? 42.244 9.408 -91.113 1 67.858 ? 90 ASP F OD2 1 6 +ATOM 8276 N N . ILE F 3 91 ? 46.393 9.517 -89.166 1 58.436 ? 91 ILE F N 1 6 +ATOM 8277 C CA . ILE F 3 91 ? 47.114 9.052 -87.99 1 60.298 ? 91 ILE F CA 1 6 +ATOM 8278 C C . ILE F 3 91 ? 46.669 7.628 -87.676 1 68.937 ? 91 ILE F C 1 6 +ATOM 8279 O O . ILE F 3 91 ? 45.477 7.333 -87.739 1 82.072 ? 91 ILE F O 1 6 +ATOM 8280 C CB . ILE F 3 91 ? 46.863 9.985 -86.8 1 64.344 ? 91 ILE F CB 1 6 +ATOM 8281 C CG1 . ILE F 3 91 ? 47.718 9.639 -85.615 1 61.018 ? 91 ILE F CG1 1 6 +ATOM 8282 C CG2 . ILE F 3 91 ? 45.378 10.049 -86.399 1 75.037 ? 91 ILE F CG2 1 6 +ATOM 8283 C CD1 . ILE F 3 91 ? 47.743 10.778 -84.615 1 60.85 ? 91 ILE F CD1 1 6 +ATOM 8284 N N . TYR F 3 92 ? 47.629 6.75 -87.368 1 75.77 ? 92 TYR F N 1 6 +ATOM 8285 C CA . TYR F 3 92 ? 47.332 5.359 -87.051 1 70.049 ? 92 TYR F CA 1 6 +ATOM 8286 C C . TYR F 3 92 ? 47.871 5.064 -85.655 1 71.684 ? 92 TYR F C 1 6 +ATOM 8287 O O . TYR F 3 92 ? 48.963 5.484 -85.311 1 63.058 ? 92 TYR F O 1 6 +ATOM 8288 C CB . TYR F 3 92 ? 47.958 4.411 -88.077 1 66.996 ? 92 TYR F CB 1 6 +ATOM 8289 C CG . TYR F 3 92 ? 47.334 4.486 -89.457 1 61.51 ? 92 TYR F CG 1 6 +ATOM 8290 C CD1 . TYR F 3 92 ? 47.501 5.596 -90.273 1 68.629 ? 92 TYR F CD1 1 6 +ATOM 8291 C CD2 . TYR F 3 92 ? 46.579 3.444 -89.942 1 62.366 ? 92 TYR F CD2 1 6 +ATOM 8292 C CE1 . TYR F 3 92 ? 46.936 5.661 -91.536 1 66.29 ? 92 TYR F CE1 1 6 +ATOM 8293 C CE2 . TYR F 3 92 ? 46.011 3.488 -91.2 1 60.275 ? 92 TYR F CE2 1 6 +ATOM 8294 C CZ . TYR F 3 92 ? 46.172 4.602 -91.994 1 63.045 ? 92 TYR F CZ 1 6 +ATOM 8295 O OH . TYR F 3 92 ? 45.579 4.617 -93.225 1 61.9 ? 92 TYR F OH 1 6 +ATOM 8296 N N . PHE F 3 93 ? 47.11 4.307 -84.868 1 77.732 ? 93 PHE F N 1 6 +ATOM 8297 C CA . PHE F 3 93 ? 47.483 4.02 -83.495 1 71.238 ? 93 PHE F CA 1 6 +ATOM 8298 C C . PHE F 3 93 ? 47.595 2.525 -83.254 1 67.906 ? 93 PHE F C 1 6 +ATOM 8299 O O . PHE F 3 93 ? 46.653 1.8 -83.554 1 62.994 ? 93 PHE F O 1 6 +ATOM 8300 C CB . PHE F 3 93 ? 46.394 4.518 -82.555 1 68.039 ? 93 PHE F CB 1 6 +ATOM 8301 C CG . PHE F 3 93 ? 46.232 6.024 -82.565 1 73.607 ? 93 PHE F CG 1 6 +ATOM 8302 C CD1 . PHE F 3 93 ? 47.117 6.84 -81.856 1 69.203 ? 93 PHE F CD1 1 6 +ATOM 8303 C CD2 . PHE F 3 93 ? 45.17 6.599 -83.251 1 76.525 ? 93 PHE F CD2 1 6 +ATOM 8304 C CE1 . PHE F 3 93 ? 46.95 8.198 -81.837 1 63.952 ? 93 PHE F CE1 1 6 +ATOM 8305 C CE2 . PHE F 3 93 ? 44.998 7.97 -83.23 1 77.492 ? 93 PHE F CE2 1 6 +ATOM 8306 C CZ . PHE F 3 93 ? 45.9 8.761 -82.532 1 74.325 ? 93 PHE F CZ 1 6 +ATOM 8307 N N . CYS F 3 94 ? 48.72 2.117 -82.647 1 74.883 ? 94 CYS F N 1 6 +ATOM 8308 C CA . CYS F 3 94 ? 48.948 0.742 -82.244 1 83.953 ? 94 CYS F CA 1 6 +ATOM 8309 C C . CYS F 3 94 ? 48.27 0.5 -80.906 1 87.972 ? 94 CYS F C 1 6 +ATOM 8310 O O . CYS F 3 94 ? 48.423 1.302 -79.99 1 84.22 ? 94 CYS F O 1 6 +ATOM 8311 C CB . CYS F 3 94 ? 50.42 0.432 -82.004 1 87.323 ? 94 CYS F CB 1 6 +ATOM 8312 S SG . CYS F 3 94 ? 51.522 0.766 -83.402 0.81 86.327 ? 94 CYS F SG 1 6 +ATOM 8313 N N . LYS F 3 95 ? 47.568 -0.634 -80.821 1 93.388 ? 95 LYS F N 1 6 +ATOM 8314 C CA . LYS F 3 95 ? 46.765 -0.994 -79.674 1 90.839 ? 95 LYS F CA 1 6 +ATOM 8315 C C . LYS F 3 95 ? 47.125 -2.451 -79.364 1 97.993 ? 95 LYS F C 1 6 +ATOM 8316 O O . LYS F 3 95 ? 47.427 -3.221 -80.268 1 104.327 ? 95 LYS F O 1 6 +ATOM 8317 C CB . LYS F 3 95 ? 45.298 -0.709 -80.03 1 93.727 ? 95 LYS F CB 1 6 +ATOM 8318 C CG . LYS F 3 95 ? 44.319 -0.772 -78.856 1 123.16 ? 95 LYS F CG 1 6 +ATOM 8319 C CD . LYS F 3 95 ? 43.04 -1.614 -78.982 1 142.312 ? 95 LYS F CD 1 6 +ATOM 8320 C CE . LYS F 3 95 ? 43.318 -3.115 -78.831 1 142.947 ? 95 LYS F CE 1 6 +ATOM 8321 N NZ . LYS F 3 95 ? 42.24 -4.109 -78.788 1 127.237 ? 95 LYS F NZ 1 6 +ATOM 8322 N N . ILE F 3 96 ? 47.127 -2.838 -78.085 1 99.449 ? 96 ILE F N 1 6 +ATOM 8323 C CA . ILE F 3 96 ? 47.525 -4.185 -77.681 1 86.25 ? 96 ILE F CA 1 6 +ATOM 8324 C C . ILE F 3 96 ? 46.725 -4.582 -76.447 1 80.366 ? 96 ILE F C 1 6 +ATOM 8325 O O . ILE F 3 96 ? 46.496 -3.749 -75.566 1 89.799 ? 96 ILE F O 1 6 +ATOM 8326 C CB . ILE F 3 96 ? 49.055 -4.281 -77.431 1 83.254 ? 96 ILE F CB 1 6 +ATOM 8327 C CG1 . ILE F 3 96 ? 49.521 -5.655 -77 1 81.666 ? 96 ILE F CG1 1 6 +ATOM 8328 C CG2 . ILE F 3 96 ? 49.564 -3.259 -76.425 1 84.736 ? 96 ILE F CG2 1 6 +ATOM 8329 C CD1 . ILE F 3 96 ? 49.362 -6.713 -78.067 1 84.389 ? 96 ILE F CD1 1 6 +ATOM 8330 N N . GLU F 3 97 ? 46.346 -5.868 -76.363 1 82.152 ? 97 GLU F N 1 6 +ATOM 8331 C CA . GLU F 3 97 ? 45.921 -6.449 -75.088 1 88.217 ? 97 GLU F CA 1 6 +ATOM 8332 C C . GLU F 3 97 ? 46.502 -7.851 -74.906 1 84.174 ? 97 GLU F C 1 6 +ATOM 8333 O O . GLU F 3 97 ? 46.461 -8.674 -75.811 1 87.303 ? 97 GLU F O 1 6 +ATOM 8334 C CB . GLU F 3 97 ? 44.407 -6.417 -74.864 1 92.015 ? 97 GLU F CB 1 6 +ATOM 8335 C CG . GLU F 3 97 ? 43.564 -6.929 -76.025 1 93.36 ? 97 GLU F CG 1 6 +ATOM 8336 C CD . GLU F 3 97 ? 42.098 -6.857 -75.668 1 92.857 ? 97 GLU F CD 1 6 +ATOM 8337 O OE1 . GLU F 3 97 ? 41.342 -7.65 -76.272 1 101.872 ? 97 GLU F OE1 1 6 +ATOM 8338 O OE2 . GLU F 3 97 ? 41.733 -6.04 -74.792 1 79.164 ? 97 GLU F OE2 1 6 +ATOM 8339 N N . VAL F 3 98 ? 47.049 -8.099 -73.715 1 80.444 ? 98 VAL F N 1 6 +ATOM 8340 C CA . VAL F 3 98 ? 47.638 -9.38 -73.353 1 81.346 ? 98 VAL F CA 1 6 +ATOM 8341 C C . VAL F 3 98 ? 46.692 -10.106 -72.386 1 83.294 ? 98 VAL F C 1 6 +ATOM 8342 O O . VAL F 3 98 ? 46.162 -9.495 -71.466 1 87.775 ? 98 VAL F O 1 6 +ATOM 8343 C CB . VAL F 3 98 ? 49.002 -9.033 -72.715 1 82.61 ? 98 VAL F CB 1 6 +ATOM 8344 C CG1 . VAL F 3 98 ? 49.476 -10.108 -71.743 1 97.606 ? 98 VAL F CG1 1 6 +ATOM 8345 C CG2 . VAL F 3 98 ? 50.061 -8.704 -73.762 1 74.862 ? 98 VAL F CG2 1 6 +ATOM 8346 N N . MET F 3 99 ? 46.48 -11.413 -72.556 1 80.346 ? 99 MET F N 1 6 +ATOM 8347 C CA . MET F 3 99 ? 45.532 -12.13 -71.712 1 82.587 ? 99 MET F CA 1 6 +ATOM 8348 C C . MET F 3 99 ? 46.227 -13.215 -70.882 1 84.399 ? 99 MET F C 1 6 +ATOM 8349 O O . MET F 3 99 ? 45.898 -13.411 -69.713 1 88.819 ? 99 MET F O 1 6 +ATOM 8350 C CB . MET F 3 99 ? 44.413 -12.754 -72.564 1 86.579 ? 99 MET F CB 1 6 +ATOM 8351 C CG . MET F 3 99 ? 43.199 -11.856 -72.768 1 85.786 ? 99 MET F CG 1 6 +ATOM 8352 S SD . MET F 3 99 ? 42.193 -11.648 -71.276 1 88.412 ? 99 MET F SD 1 6 +ATOM 8353 C CE . MET F 3 99 ? 41.835 -13.333 -70.761 1 88.986 ? 99 MET F CE 1 6 +ATOM 8354 N N . TYR F 3 100 ? 47.118 -13.974 -71.525 1 87.285 ? 100 TYR F N 1 6 +ATOM 8355 C CA . TYR F 3 100 ? 47.82 -15.076 -70.885 1 86.627 ? 100 TYR F CA 1 6 +ATOM 8356 C C . TYR F 3 100 ? 49.273 -15.092 -71.346 1 90.412 ? 100 TYR F C 1 6 +ATOM 8357 O O . TYR F 3 100 ? 49.548 -14.876 -72.521 1 109.18 ? 100 TYR F O 1 6 +ATOM 8358 C CB . TYR F 3 100 ? 47.211 -16.432 -71.241 1 81.523 ? 100 TYR F CB 1 6 +ATOM 8359 C CG . TYR F 3 100 ? 45.799 -16.689 -70.723 1 85.086 ? 100 TYR F CG 1 6 +ATOM 8360 C CD1 . TYR F 3 100 ? 45.582 -17.23 -69.458 1 90.922 ? 100 TYR F CD1 1 6 +ATOM 8361 C CD2 . TYR F 3 100 ? 44.677 -16.417 -71.504 1 83.564 ? 100 TYR F CD2 1 6 +ATOM 8362 C CE1 . TYR F 3 100 ? 44.301 -17.501 -68.994 1 92.518 ? 100 TYR F CE1 1 6 +ATOM 8363 C CE2 . TYR F 3 100 ? 43.39 -16.686 -71.052 1 83.081 ? 100 TYR F CE2 1 6 +ATOM 8364 C CZ . TYR F 3 100 ? 43.2 -17.218 -69.787 1 89.852 ? 100 TYR F CZ 1 6 +ATOM 8365 O OH . TYR F 3 100 ? 41.938 -17.479 -69.331 1 90.826 ? 100 TYR F OH 1 6 +ATOM 8366 N N . PRO F 3 101 ? 50.257 -15.354 -70.458 1 96.515 ? 101 PRO F N 1 6 +ATOM 8367 C CA . PRO F 3 101 ? 50.02 -15.533 -69.028 1 101.244 ? 101 PRO F CA 1 6 +ATOM 8368 C C . PRO F 3 101 ? 49.643 -14.21 -68.364 1 99.267 ? 101 PRO F C 1 6 +ATOM 8369 O O . PRO F 3 101 ? 49.99 -13.124 -68.835 1 91.766 ? 101 PRO F O 1 6 +ATOM 8370 C CB . PRO F 3 101 ? 51.355 -16.125 -68.496 1 102.36 ? 101 PRO F CB 1 6 +ATOM 8371 C CG . PRO F 3 101 ? 52.07 -16.596 -69.754 1 101.156 ? 101 PRO F CG 1 6 +ATOM 8372 C CD . PRO F 3 101 ? 51.675 -15.543 -70.788 1 102.461 ? 101 PRO F CD 1 6 +ATOM 8373 N N . PRO F 3 102 ? 48.84 -14.26 -67.282 1 103.428 ? 102 PRO F N 1 6 +ATOM 8374 C CA . PRO F 3 102 ? 48.349 -13.049 -66.645 1 97.659 ? 102 PRO F CA 1 6 +ATOM 8375 C C . PRO F 3 102 ? 49.469 -12.141 -66.159 1 96.419 ? 102 PRO F C 1 6 +ATOM 8376 O O . PRO F 3 102 ? 50.619 -12.566 -66.043 1 88.464 ? 102 PRO F O 1 6 +ATOM 8377 C CB . PRO F 3 102 ? 47.524 -13.64 -65.5 1 104.884 ? 102 PRO F CB 1 6 +ATOM 8378 C CG . PRO F 3 102 ? 47.025 -14.945 -66.048 1 106.414 ? 102 PRO F CG 1 6 +ATOM 8379 C CD . PRO F 3 102 ? 48.283 -15.478 -66.68 1 109.675 ? 102 PRO F CD 1 6 +ATOM 8380 N N . PRO F 3 103 ? 49.136 -10.874 -65.824 1 101.164 ? 103 PRO F N 1 6 +ATOM 8381 C CA . PRO F 3 103 ? 47.759 -10.381 -65.946 1 96.051 ? 103 PRO F CA 1 6 +ATOM 8382 C C . PRO F 3 103 ? 47.334 -9.811 -67.302 1 91.75 ? 103 PRO F C 1 6 +ATOM 8383 O O . PRO F 3 103 ? 48.15 -9.685 -68.22 1 82.539 ? 103 PRO F O 1 6 +ATOM 8384 C CB . PRO F 3 103 ? 47.722 -9.342 -64.815 1 95.552 ? 103 PRO F CB 1 6 +ATOM 8385 C CG . PRO F 3 103 ? 49.11 -8.772 -64.808 1 98.629 ? 103 PRO F CG 1 6 +ATOM 8386 C CD . PRO F 3 103 ? 50.044 -9.899 -65.203 1 102.57 ? 103 PRO F CD 1 6 +ATOM 8387 N N . TYR F 3 104 ? 46.019 -9.537 -67.399 1 95.666 ? 104 TYR F N 1 6 +ATOM 8388 C CA . TYR F 3 104 ? 45.406 -8.785 -68.489 1 90.586 ? 104 TYR F CA 1 6 +ATOM 8389 C C . TYR F 3 104 ? 45.937 -7.346 -68.415 1 85.44 ? 104 TYR F C 1 6 +ATOM 8390 O O . TYR F 3 104 ? 45.796 -6.68 -67.394 1 81.445 ? 104 TYR F O 1 6 +ATOM 8391 C CB . TYR F 3 104 ? 43.855 -8.797 -68.47 1 89.193 ? 104 TYR F CB 1 6 +ATOM 8392 C CG . TYR F 3 104 ? 43.249 -7.749 -69.398 1 75.701 ? 104 TYR F CG 1 6 +ATOM 8393 C CD1 . TYR F 3 104 ? 43.258 -7.95 -70.765 1 78.94 ? 104 TYR F CD1 1 6 +ATOM 8394 C CD2 . TYR F 3 104 ? 42.742 -6.541 -68.936 1 72.206 ? 104 TYR F CD2 1 6 +ATOM 8395 C CE1 . TYR F 3 104 ? 42.821 -6.973 -71.646 1 84.436 ? 104 TYR F CE1 1 6 +ATOM 8396 C CE2 . TYR F 3 104 ? 42.327 -5.541 -69.803 1 76.157 ? 104 TYR F CE2 1 6 +ATOM 8397 C CZ . TYR F 3 104 ? 42.361 -5.754 -71.168 1 83.605 ? 104 TYR F CZ 1 6 +ATOM 8398 O OH . TYR F 3 104 ? 41.907 -4.789 -72.03 1 85.711 ? 104 TYR F OH 1 6 +ATOM 8399 N N . LEU F 3 105 ? 46.562 -6.873 -69.496 1 78.899 ? 105 LEU F N 1 6 +ATOM 8400 C CA . LEU F 3 105 ? 47 -5.492 -69.621 1 75.137 ? 105 LEU F CA 1 6 +ATOM 8401 C C . LEU F 3 105 ? 46.58 -5.002 -71.007 1 77.504 ? 105 LEU F C 1 6 +ATOM 8402 O O . LEU F 3 105 ? 46.599 -5.743 -71.988 1 75.794 ? 105 LEU F O 1 6 +ATOM 8403 C CB . LEU F 3 105 ? 48.513 -5.346 -69.452 1 78.952 ? 105 LEU F CB 1 6 +ATOM 8404 C CG . LEU F 3 105 ? 49.121 -5.767 -68.099 1 85.16 ? 105 LEU F CG 1 6 +ATOM 8405 C CD1 . LEU F 3 105 ? 50.63 -6.006 -68.178 1 86.041 ? 105 LEU F CD1 1 6 +ATOM 8406 C CD2 . LEU F 3 105 ? 48.822 -4.802 -66.955 1 82.643 ? 105 LEU F CD2 1 6 +ATOM 8407 N N . ASP F 3 106 ? 46.252 -3.709 -71.082 1 92.605 ? 106 ASP F N 1 6 +ATOM 8408 C CA . ASP F 3 106 ? 46.033 -2.974 -72.323 1 87.116 ? 106 ASP F CA 1 6 +ATOM 8409 C C . ASP F 3 106 ? 47.119 -1.893 -72.388 1 88.428 ? 106 ASP F C 1 6 +ATOM 8410 O O . ASP F 3 106 ? 47.861 -1.674 -71.422 1 100.815 ? 106 ASP F O 1 6 +ATOM 8411 C CB . ASP F 3 106 ? 44.594 -2.466 -72.404 1 90.392 ? 106 ASP F CB 1 6 +ATOM 8412 C CG . ASP F 3 106 ? 44.183 -1.384 -71.399 1 105.302 ? 106 ASP F CG 1 6 +ATOM 8413 O OD1 . ASP F 3 106 ? 44.608 -1.459 -70.23 1 128.678 ? 106 ASP F OD1 1 6 +ATOM 8414 O OD2 . ASP F 3 106 ? 43.398 -0.477 -71.762 1 110.763 ? 106 ASP F OD2 1 6 +ATOM 8415 N N . ASN F 3 107 ? 47.213 -1.209 -73.525 1 80.142 ? 107 ASN F N 1 6 +ATOM 8416 C CA . ASN F 3 107 ? 48.27 -0.238 -73.728 1 82.122 ? 107 ASN F CA 1 6 +ATOM 8417 C C . ASN F 3 107 ? 47.85 1.183 -73.346 1 87.211 ? 107 ASN F C 1 6 +ATOM 8418 O O . ASN F 3 107 ? 46.688 1.554 -73.456 1 80.521 ? 107 ASN F O 1 6 +ATOM 8419 C CB . ASN F 3 107 ? 48.721 -0.244 -75.17 1 80.434 ? 107 ASN F CB 1 6 +ATOM 8420 C CG . ASN F 3 107 ? 47.639 0.22 -76.111 1 84.947 ? 107 ASN F CG 1 6 +ATOM 8421 O OD1 . ASN F 3 107 ? 46.702 -0.524 -76.434 1 86.243 ? 107 ASN F OD1 1 6 +ATOM 8422 N ND2 . ASN F 3 107 ? 47.806 1.435 -76.609 1 90.021 ? 107 ASN F ND2 1 6 +ATOM 8423 N N . GLU F 3 108 ? 48.848 1.974 -72.922 1 102.676 ? 108 GLU F N 1 6 +ATOM 8424 C CA . GLU F 3 108 ? 48.701 3.389 -72.629 1 105.277 ? 108 GLU F CA 1 6 +ATOM 8425 C C . GLU F 3 108 ? 48.784 4.104 -73.969 1 103.832 ? 108 GLU F C 1 6 +ATOM 8426 O O . GLU F 3 108 ? 49.779 3.947 -74.689 1 90.065 ? 108 GLU F O 1 6 +ATOM 8427 C CB . GLU F 3 108 ? 49.759 3.897 -71.643 1 115.102 ? 108 GLU F CB 1 6 +ATOM 8428 C CG . GLU F 3 108 ? 49.431 5.258 -71.027 1 122.077 ? 108 GLU F CG 1 6 +ATOM 8429 C CD . GLU F 3 108 ? 49.582 5.348 -69.505 1 143.269 ? 108 GLU F CD 1 6 +ATOM 8430 O OE1 . GLU F 3 108 ? 50.239 4.462 -68.906 1 160.852 ? 108 GLU F OE1 1 6 +ATOM 8431 O OE2 . GLU F 3 108 ? 48.985 6.273 -68.9 1 139.78 ? 108 GLU F OE2 1 6 +ATOM 8432 N N . LYS F 3 109 ? 47.716 4.867 -74.263 1 99.906 ? 109 LYS F N 1 6 +ATOM 8433 C CA . LYS F 3 109 ? 47.45 5.44 -75.574 1 97.341 ? 109 LYS F CA 1 6 +ATOM 8434 C C . LYS F 3 109 ? 48.747 5.926 -76.208 1 99.111 ? 109 LYS F C 1 6 +ATOM 8435 O O . LYS F 3 109 ? 49.374 6.819 -75.64 1 97.434 ? 109 LYS F O 1 6 +ATOM 8436 C CB . LYS F 3 109 ? 46.453 6.585 -75.358 1 98.527 ? 109 LYS F CB 1 6 +ATOM 8437 C CG . LYS F 3 109 ? 46.072 7.414 -76.575 1 107.241 ? 109 LYS F CG 1 6 +ATOM 8438 C CD . LYS F 3 109 ? 45.249 6.624 -77.592 1 122.407 ? 109 LYS F CD 1 6 +ATOM 8439 C CE . LYS F 3 109 ? 44.689 7.458 -78.695 1 121.956 ? 109 LYS F CE 1 6 +ATOM 8440 N NZ . LYS F 3 109 ? 44.178 8.74 -78.203 1 119.211 ? 109 LYS F NZ 1 6 +ATOM 8441 N N . SER F 3 110 ? 49.132 5.369 -77.378 1 96.299 ? 110 SER F N 1 6 +ATOM 8442 C CA . SER F 3 110 ? 50.372 5.78 -78.039 1 93.803 ? 110 SER F CA 1 6 +ATOM 8443 C C . SER F 3 110 ? 50.189 7.127 -78.721 1 88.91 ? 110 SER F C 1 6 +ATOM 8444 O O . SER F 3 110 ? 49.05 7.564 -78.933 1 90.855 ? 110 SER F O 1 6 +ATOM 8445 C CB . SER F 3 110 ? 50.873 4.789 -79.037 1 92.338 ? 110 SER F CB 1 6 +ATOM 8446 O OG . SER F 3 110 ? 50.1 4.875 -80.216 1 95.349 ? 110 SER F OG 1 6 +ATOM 8447 N N . ASN F 3 111 ? 51.325 7.771 -79.042 1 85.588 ? 111 ASN F N 1 6 +ATOM 8448 C CA . ASN F 3 111 ? 51.287 9.06 -79.71 1 90.768 ? 111 ASN F CA 1 6 +ATOM 8449 C C . ASN F 3 111 ? 50.753 8.904 -81.132 1 85.58 ? 111 ASN F C 1 6 +ATOM 8450 O O . ASN F 3 111 ? 50.198 9.828 -81.701 1 91.894 ? 111 ASN F O 1 6 +ATOM 8451 C CB . ASN F 3 111 ? 52.651 9.735 -79.706 1 94.497 ? 111 ASN F CB 1 6 +ATOM 8452 C CG . ASN F 3 111 ? 53.021 10.225 -78.332 1 90.618 ? 111 ASN F CG 1 6 +ATOM 8453 O OD1 . ASN F 3 111 ? 52.282 10.004 -77.379 1 80.105 ? 111 ASN F OD1 1 6 +ATOM 8454 N ND2 . ASN F 3 111 ? 54.148 10.903 -78.213 1 106.512 ? 111 ASN F ND2 1 6 +ATOM 8455 N N . GLY F 3 112 ? 50.932 7.73 -81.715 1 78.769 ? 112 GLY F N 1 6 +ATOM 8456 C CA . GLY F 3 112 ? 50.419 7.5 -83.043 1 80.889 ? 112 GLY F CA 1 6 +ATOM 8457 C C . GLY F 3 112 ? 51.535 7.644 -84.065 1 93.46 ? 112 GLY F C 1 6 +ATOM 8458 O O . GLY F 3 112 ? 52.703 7.863 -83.734 1 98.234 ? 112 GLY F O 1 6 +ATOM 8459 N N . THR F 3 113 ? 51.136 7.494 -85.324 1 86.807 ? 113 THR F N 1 6 +ATOM 8460 C CA . THR F 3 113 ? 52.055 7.632 -86.424 1 83.883 ? 113 THR F CA 1 6 +ATOM 8461 C C . THR F 3 113 ? 51.245 8.187 -87.59 1 82.693 ? 113 THR F C 1 6 +ATOM 8462 O O . THR F 3 113 ? 50.226 7.641 -87.989 1 69.266 ? 113 THR F O 1 6 +ATOM 8463 C CB . THR F 3 113 ? 52.749 6.3 -86.706 1 84.915 ? 113 THR F CB 1 6 +ATOM 8464 O OG1 . THR F 3 113 ? 53.513 6.405 -87.906 1 91.141 ? 113 THR F OG1 1 6 +ATOM 8465 C CG2 . THR F 3 113 ? 51.758 5.182 -86.958 1 94.034 ? 113 THR F CG2 1 6 +ATOM 8466 N N . ILE F 3 114 ? 51.726 9.311 -88.109 1 81.39 ? 114 ILE F N 1 6 +ATOM 8467 C CA . ILE F 3 114 ? 51.136 9.948 -89.265 1 78.926 ? 114 ILE F CA 1 6 +ATOM 8468 C C . ILE F 3 114 ? 51.651 9.231 -90.499 1 69.471 ? 114 ILE F C 1 6 +ATOM 8469 O O . ILE F 3 114 ? 52.853 9.257 -90.739 1 75.015 ? 114 ILE F O 1 6 +ATOM 8470 C CB . ILE F 3 114 ? 51.564 11.42 -89.331 1 91.994 ? 114 ILE F CB 1 6 +ATOM 8471 C CG1 . ILE F 3 114 ? 51.263 12.198 -88.056 1 93.603 ? 114 ILE F CG1 1 6 +ATOM 8472 C CG2 . ILE F 3 114 ? 50.948 12.072 -90.566 1 104.58 ? 114 ILE F CG2 1 6 +ATOM 8473 C CD1 . ILE F 3 114 ? 49.803 12.171 -87.66 1 105.343 ? 114 ILE F CD1 1 6 +ATOM 8474 N N . ILE F 3 115 ? 50.757 8.621 -91.266 1 58.522 ? 115 ILE F N 1 6 +ATOM 8475 C CA . ILE F 3 115 ? 51.175 7.962 -92.488 1 64.607 ? 115 ILE F CA 1 6 +ATOM 8476 C C . ILE F 3 115 ? 50.733 8.814 -93.673 1 71.473 ? 115 ILE F C 1 6 +ATOM 8477 O O . ILE F 3 115 ? 49.535 8.978 -93.879 1 74.333 ? 115 ILE F O 1 6 +ATOM 8478 C CB . ILE F 3 115 ? 50.596 6.546 -92.59 1 65.388 ? 115 ILE F CB 1 6 +ATOM 8479 C CG1 . ILE F 3 115 ? 51.101 5.627 -91.464 1 75.963 ? 115 ILE F CG1 1 6 +ATOM 8480 C CG2 . ILE F 3 115 ? 50.874 5.981 -93.979 1 62.394 ? 115 ILE F CG2 1 6 +ATOM 8481 C CD1 . ILE F 3 115 ? 50.48 4.233 -91.448 1 74.949 ? 115 ILE F CD1 1 6 +ATOM 8482 N N . HIS F 3 116 ? 51.698 9.341 -94.445 1 75.348 ? 116 HIS F N 1 6 +ATOM 8483 C CA . HIS F 3 116 ? 51.388 10.077 -95.664 1 72.108 ? 116 HIS F CA 1 6 +ATOM 8484 C C . HIS F 3 116 ? 51.514 9.113 -96.834 1 72.679 ? 116 HIS F C 1 6 +ATOM 8485 O O . HIS F 3 116 ? 52.617 8.757 -97.195 1 83.844 ? 116 HIS F O 1 6 +ATOM 8486 C CB . HIS F 3 116 ? 52.253 11.347 -95.848 1 70.636 ? 116 HIS F CB 1 6 +ATOM 8487 C CG . HIS F 3 116 ? 51.888 12.253 -97.009 1 67.114 ? 116 HIS F CG 1 6 +ATOM 8488 N ND1 . HIS F 3 116 ? 52.697 13.277 -97.462 1 66.02 ? 116 HIS F ND1 1 6 +ATOM 8489 C CD2 . HIS F 3 116 ? 50.793 12.3 -97.799 1 66.673 ? 116 HIS F CD2 1 6 +ATOM 8490 C CE1 . HIS F 3 116 ? 52.126 13.88 -98.502 1 66.615 ? 116 HIS F CE1 1 6 +ATOM 8491 N NE2 . HIS F 3 116 ? 50.945 13.334 -98.697 1 66.094 ? 116 HIS F NE2 1 6 +ATOM 8492 N N . VAL F 3 117 ? 50.401 8.75 -97.478 1 71.561 ? 117 VAL F N 1 6 +ATOM 8493 C CA . VAL F 3 117 ? 50.473 7.918 -98.677 1 77.861 ? 117 VAL F CA 1 6 +ATOM 8494 C C . VAL F 3 117 ? 50.626 8.754 -99.956 1 95.323 ? 117 VAL F C 1 6 +ATOM 8495 O O . VAL F 3 117 ? 49.701 9.476 -100.32 1 100.855 ? 117 VAL F O 1 6 +ATOM 8496 C CB . VAL F 3 117 ? 49.209 7.057 -98.745 1 77.132 ? 117 VAL F CB 1 6 +ATOM 8497 C CG1 . VAL F 3 117 ? 49.319 5.998 -99.849 1 86.454 ? 117 VAL F CG1 1 6 +ATOM 8498 C CG2 . VAL F 3 117 ? 48.901 6.464 -97.374 1 75.31 ? 117 VAL F CG2 1 6 +ATOM 8499 N N . LYS F 3 118 ? 51.773 8.622 -100.666 1 96.152 ? 118 LYS F N 1 6 +ATOM 8500 C CA . LYS F 3 118 ? 52.125 9.501 -101.79 1 85.988 ? 118 LYS F CA 1 6 +ATOM 8501 C C . LYS F 3 118 ? 51.875 8.822 -103.15 1 80.719 ? 118 LYS F C 1 6 +ATOM 8502 O O . LYS F 3 118 ? 51.773 7.576 -103.179 1 76.055 ? 118 LYS F O 1 6 +ATOM 8503 C CB . LYS F 3 118 ? 53.579 9.973 -101.687 1 78.433 ? 118 LYS F CB 1 6 +ATOM 8504 C CG . LYS F 3 118 ? 53.793 10.969 -100.554 1 87.917 ? 118 LYS F CG 1 6 +ATOM 8505 C CD . LYS F 3 118 ? 53.8 12.453 -100.939 1 106.34 ? 118 LYS F CD 1 6 +ATOM 8506 C CE . LYS F 3 118 ? 55.094 12.981 -101.482 1 117.187 ? 118 LYS F CE 1 6 +ATOM 8507 N NZ . LYS F 3 118 ? 56.265 12.635 -100.65 1 123.009 ? 118 LYS F NZ 1 6 +HETATM 8508 C C1 . NAG G 4 . ? 37.496 -29.746 23.883 1 137.616 ? 1 NAG G C1 1 3 +HETATM 8509 C C2 . NAG G 4 . ? 37.54 -30.296 25.314 1 150.629 ? 1 NAG G C2 1 3 +HETATM 8510 C C3 . NAG G 4 . ? 38.848 -31.067 25.467 1 171.01 ? 1 NAG G C3 1 3 +HETATM 8511 C C4 . NAG G 4 . ? 39.998 -30.422 24.686 1 189.007 ? 1 NAG G C4 1 3 +HETATM 8512 C C5 . NAG G 4 . ? 39.724 -28.926 24.456 1 154.74 ? 1 NAG G C5 1 3 +HETATM 8513 C C6 . NAG G 4 . ? 40.806 -28.19 23.684 1 136.351 ? 1 NAG G C6 1 3 +HETATM 8514 C C7 . NAG G 4 . ? 37.329 -29.466 27.736 1 147.233 ? 1 NAG G C7 1 3 +HETATM 8515 C C8 . NAG G 4 . ? 37.37 -28.206 28.553 1 122.668 ? 1 NAG G C8 1 3 +HETATM 8516 N N2 . NAG G 4 . ? 37.367 -29.313 26.382 1 159.807 ? 1 NAG G N2 1 3 +HETATM 8517 O O3 . NAG G 4 . ? 38.604 -32.391 25.008 1 131.301 ? 1 NAG G O3 1 3 +HETATM 8518 O O4 . NAG G 4 . ? 41.246 -30.686 25.401 1 219.378 ? 1 NAG G O4 1 3 +HETATM 8519 O O5 . NAG G 4 . ? 38.517 -28.761 23.681 1 136.536 ? 1 NAG G O5 1 3 +HETATM 8520 O O6 . NAG G 4 . ? 40.402 -26.876 23.294 1 115.421 ? 1 NAG G O6 1 3 +HETATM 8521 O O7 . NAG G 4 . ? 37.238 -30.559 28.291 1 136.949 ? 1 NAG G O7 1 3 +HETATM 8522 C C1 . NAG G 4 . ? 41.836 -31.956 25.291 1 204.99 ? 2 NAG G C1 1 3 +HETATM 8523 C C2 . NAG G 4 . ? 42.75 -31.955 24.066 1 211.899 ? 2 NAG G C2 1 3 +HETATM 8524 C C3 . NAG G 4 . ? 43.472 -33.3 23.943 1 191.423 ? 2 NAG G C3 1 3 +HETATM 8525 C C4 . NAG G 4 . ? 44.122 -33.781 25.236 1 170.912 ? 2 NAG G C4 1 3 +HETATM 8526 C C5 . NAG G 4 . ? 43.169 -33.665 26.415 1 176.72 ? 2 NAG G C5 1 3 +HETATM 8527 C C6 . NAG G 4 . ? 43.889 -33.919 27.737 1 181.77 ? 2 NAG G C6 1 3 +HETATM 8528 C C7 . NAG G 4 . ? 42.272 -30.78 21.854 1 197.897 ? 2 NAG G C7 1 3 +HETATM 8529 C C8 . NAG G 4 . ? 43.575 -30.032 21.924 1 174.73 ? 2 NAG G C8 1 3 +HETATM 8530 N N2 . NAG G 4 . ? 41.999 -31.655 22.85 1 224.352 ? 2 NAG G N2 1 3 +HETATM 8531 O O3 . NAG G 4 . ? 44.475 -33.157 22.953 1 230.217 ? 2 NAG G O3 1 3 +HETATM 8532 O O4 . NAG G 4 . ? 44.472 -35.158 25.135 1 138.521 ? 2 NAG G O4 1 3 +HETATM 8533 O O5 . NAG G 4 . ? 42.582 -32.339 26.453 1 196.648 ? 2 NAG G O5 1 3 +HETATM 8534 O O6 . NAG G 4 . ? 45.287 -34.283 27.591 1 180.147 ? 2 NAG G O6 1 3 +HETATM 8535 O O7 . NAG G 4 . ? 41.478 -30.594 20.926 1 143.15 ? 2 NAG G O7 1 3 +HETATM 8536 N N1 . IMD H 5 . ? 21.385 -5.776 -27.003 1 117.4 ? 301 IMD A N1 1 1 +HETATM 8537 C C2 . IMD H 5 . ? 21.627 -4.967 -28.086 1 137.98 ? 301 IMD A C2 1 1 +HETATM 8538 N N3 . IMD H 5 . ? 21.055 -3.784 -27.863 1 136.332 ? 301 IMD A N3 1 1 +HETATM 8539 C C4 . IMD H 5 . ? 20.435 -3.831 -26.648 1 140.531 ? 301 IMD A C4 1 1 +HETATM 8540 C C5 . IMD H 5 . ? 20.642 -5.074 -26.12 1 128.724 ? 301 IMD A C5 1 1 +HETATM 8541 C C1 . GOL I 6 . ? 24.035 -19.515 2.758 1 98.287 ? 302 GOL A C1 1 1 +HETATM 8542 O O1 . GOL I 6 . ? 23.78 -20.162 1.51 1 78.829 ? 302 GOL A O1 1 1 +HETATM 8543 C C2 . GOL I 6 . ? 25.139 -18.463 2.694 1 111.206 ? 302 GOL A C2 1 1 +HETATM 8544 O O2 . GOL I 6 . ? 25.308 -17.941 4.013 1 117.678 ? 302 GOL A O2 1 1 +HETATM 8545 C C3 . GOL I 6 . ? 26.485 -18.957 2.172 1 106.381 ? 302 GOL A C3 1 1 +HETATM 8546 O O3 . GOL I 6 . ? 27.504 -17.951 2.159 1 85.687 ? 302 GOL A O3 1 1 +HETATM 8547 ZN ZN . ZN J 7 . ? 32.711 -5.107 -1.869 1 104.176 2 303 ZN A ZN 1 ? +HETATM 8548 ZN ZN . ZN K 7 . ? 21.138 -3.802 -30.924 0.37 71.123 2 304 ZN A ZN 1 ? +HETATM 8549 ZN ZN . ZN L 7 . ? 27.286 -2.586 -11.476 0.67 121.143 2 305 ZN A ZN 1 ? +HETATM 8550 C C1 . GOL M 6 . ? 19.013 5.215 -37.079 1 97.497 ? 301 GOL B C1 1 1 +HETATM 8551 O O1 . GOL M 6 . ? 17.713 4.804 -37.482 1 115.068 ? 301 GOL B O1 1 1 +HETATM 8552 C C2 . GOL M 6 . ? 20.016 4.153 -37.43 1 90.611 ? 301 GOL B C2 1 1 +HETATM 8553 O O2 . GOL M 6 . ? 21.261 4.795 -37.697 1 87.54 ? 301 GOL B O2 1 1 +HETATM 8554 C C3 . GOL M 6 . ? 20.111 3.107 -36.336 1 92.363 ? 301 GOL B C3 1 1 +HETATM 8555 O O3 . GOL M 6 . ? 20.703 1.887 -36.782 1 83.585 ? 301 GOL B O3 1 1 +HETATM 8556 N N1 . IMD N 5 . ? 39.671 3.978 -18.028 1 121 ? 302 IMD B N1 1 2 +HETATM 8557 C C2 . IMD N 5 . ? 38.395 3.492 -18.243 1 126.534 ? 302 IMD B C2 1 2 +HETATM 8558 N N3 . IMD N 5 . ? 38.159 2.539 -17.344 1 119.636 ? 302 IMD B N3 1 2 +HETATM 8559 C C4 . IMD N 5 . ? 39.278 2.393 -16.573 1 124.149 ? 302 IMD B C4 1 2 +HETATM 8560 C C5 . IMD N 5 . ? 40.207 3.305 -16.989 1 118.853 ? 302 IMD B C5 1 2 +HETATM 8561 N N1 . IMD O 5 . ? 0.779 18.677 -41.439 1 131.854 ? 303 IMD B N1 1 2 +HETATM 8562 C C2 . IMD O 5 . ? 1.082 19.424 -42.561 1 122.465 ? 303 IMD B C2 1 2 +HETATM 8563 N N3 . IMD O 5 . ? 0.982 18.624 -43.621 1 123.688 ? 303 IMD B N3 1 2 +HETATM 8564 C C4 . IMD O 5 . ? 0.583 17.379 -43.182 1 124.885 ? 303 IMD B C4 1 2 +HETATM 8565 C C5 . IMD O 5 . ? 0.463 17.419 -41.823 1 121.029 ? 303 IMD B C5 1 2 +HETATM 8566 ZN ZN . ZN P 7 . ? 28.889 -2.701 -47.289 1 84.576 2 304 ZN B ZN 1 ? +HETATM 8567 ZN ZN . ZN Q 7 . ? 38.381 -26.656 -19.701 1 101.509 2 305 ZN B ZN 1 ? +HETATM 8568 ZN ZN . ZN R 7 . ? 39.061 4.592 -20.239 0.91 137.802 2 306 ZN B ZN 1 ? +HETATM 8569 ZN ZN . ZN S 7 . ? 12.855 23.766 -39.933 1 125.115 2 307 ZN B ZN 1 ? +HETATM 8570 ZN ZN . ZN T 7 . ? 29.98 -7.283 -45.629 1 137.108 2 308 ZN B ZN 1 ? +HETATM 8571 ZN ZN . ZN U 7 . ? 41.955 -15.964 -40.351 0.68 116.509 2 309 ZN B ZN 1 ? +HETATM 8572 ZN ZN . ZN V 7 . ? 48.844 -22.233 -33.243 0.74 111.32 2 310 ZN B ZN 1 ? +HETATM 8573 ZN ZN . ZN W 7 . ? 0.81 18.022 -46.577 0.62 113.584 2 311 ZN B ZN 1 ? +HETATM 8574 C C1 . NAG X 8 . ? 16.898 -38.892 24.556 1 125.191 ? 201 NAG C C1 1 3 +HETATM 8575 C C2 . NAG X 8 . ? 16.682 -38.22 25.921 1 139.029 ? 201 NAG C C2 1 3 +HETATM 8576 C C3 . NAG X 8 . ? 15.953 -36.867 25.827 1 119.23 ? 201 NAG C C3 1 3 +HETATM 8577 C C4 . NAG X 8 . ? 15.102 -36.784 24.569 1 115.585 ? 201 NAG C C4 1 3 +HETATM 8578 C C5 . NAG X 8 . ? 14.601 -38.192 24.276 1 128.673 ? 201 NAG C C5 1 3 +HETATM 8579 C C6 . NAG X 8 . ? 13.45 -38.29 23.289 1 132.199 ? 201 NAG C C6 1 3 +HETATM 8580 C C7 . NAG X 8 . ? 15.916 -40.408 26.841 1 163.053 ? 201 NAG C C7 1 3 +HETATM 8581 C C8 . NAG X 8 . ? 14.531 -40.912 27.107 1 134.167 ? 201 NAG C C8 1 3 +HETATM 8582 N N2 . NAG X 8 . ? 16.063 -39.079 26.919 1 167.915 ? 201 NAG C N2 1 3 +HETATM 8583 O O3 . NAG X 8 . ? 16.896 -35.81 25.87 1 115.393 ? 201 NAG C O3 1 3 +HETATM 8584 O O4 . NAG X 8 . ? 14.022 -35.887 24.786 1 106.514 ? 201 NAG C O4 1 3 +HETATM 8585 O O5 . NAG X 8 . ? 15.728 -38.898 23.725 1 124.447 ? 201 NAG C O5 1 3 +HETATM 8586 O O6 . NAG X 8 . ? 12.226 -38.797 23.903 1 125.205 ? 201 NAG C O6 1 3 +HETATM 8587 O O7 . NAG X 8 . ? 16.854 -41.161 26.577 1 166.76 ? 201 NAG C O7 1 3 +HETATM 8588 C C1 . NAG Y 8 . ? 38.446 -46.151 6.083 1 113.987 ? 202 NAG C C1 1 3 +HETATM 8589 C C2 . NAG Y 8 . ? 39.785 -45.486 6.381 1 122.68 ? 202 NAG C C2 1 3 +HETATM 8590 C C3 . NAG Y 8 . ? 40.855 -46.108 5.502 1 133.253 ? 202 NAG C C3 1 3 +HETATM 8591 C C4 . NAG Y 8 . ? 40.967 -47.571 5.899 1 137.061 ? 202 NAG C C4 1 3 +HETATM 8592 C C5 . NAG Y 8 . ? 39.632 -48.281 5.685 1 126.256 ? 202 NAG C C5 1 3 +HETATM 8593 C C6 . NAG Y 8 . ? 39.631 -49.609 6.403 1 131.914 ? 202 NAG C C6 1 3 +HETATM 8594 C C7 . NAG Y 8 . ? 40.363 -43.191 7.068 1 126.965 ? 202 NAG C C7 1 3 +HETATM 8595 C C8 . NAG Y 8 . ? 40.502 -43.564 8.519 1 124.227 ? 202 NAG C C8 1 3 +HETATM 8596 N N2 . NAG Y 8 . ? 39.728 -44.047 6.264 1 125.139 ? 202 NAG C N2 1 3 +HETATM 8597 O O3 . NAG Y 8 . ? 42.102 -45.452 5.67 1 146.142 ? 202 NAG C O3 1 3 +HETATM 8598 O O4 . NAG Y 8 . ? 41.972 -48.234 5.137 1 145.437 ? 202 NAG C O4 1 3 +HETATM 8599 O O5 . NAG Y 8 . ? 38.492 -47.571 6.216 1 112.389 ? 202 NAG C O5 1 3 +HETATM 8600 O O6 . NAG Y 8 . ? 39.849 -49.42 7.808 1 132.145 ? 202 NAG C O6 1 3 +HETATM 8601 O O7 . NAG Y 8 . ? 40.801 -42.141 6.621 1 109.112 ? 202 NAG C O7 1 3 +HETATM 8602 C C1 . GOL Z 6 . ? 20.114 -43.042 14.195 1 91.365 ? 203 GOL C C1 1 3 +HETATM 8603 O O1 . GOL Z 6 . ? 20.135 -43.582 15.512 1 86.078 ? 203 GOL C O1 1 3 +HETATM 8604 C C2 . GOL Z 6 . ? 20.371 -44.152 13.202 1 103.032 ? 203 GOL C C2 1 3 +HETATM 8605 O O2 . GOL Z 6 . ? 20.318 -43.648 11.864 1 120.859 ? 203 GOL C O2 1 3 +HETATM 8606 C C3 . GOL Z 6 . ? 21.672 -44.894 13.483 1 99.813 ? 203 GOL C C3 1 3 +HETATM 8607 O O3 . GOL Z 6 . ? 22.849 -44.139 13.205 1 88.221 ? 203 GOL C O3 1 3 +HETATM 8608 C C1 . NAG AA 8 . ? 33.607 -12.731 5.927 1 109.717 ? 204 NAG C C1 1 3 +HETATM 8609 C C2 . NAG AA 8 . ? 33.276 -12.249 7.352 1 131.389 ? 204 NAG C C2 1 3 +HETATM 8610 C C3 . NAG AA 8 . ? 32.559 -10.899 7.398 1 129.141 ? 204 NAG C C3 1 3 +HETATM 8611 C C4 . NAG AA 8 . ? 33.229 -9.928 6.439 1 128.113 ? 204 NAG C C4 1 3 +HETATM 8612 C C5 . NAG AA 8 . ? 33.078 -10.532 5.041 1 117.91 ? 204 NAG C C5 1 3 +HETATM 8613 C C6 . NAG AA 8 . ? 33.519 -9.599 3.942 1 119.459 ? 204 NAG C C6 1 3 +HETATM 8614 C C7 . NAG AA 8 . ? 32.191 -13.539 9.258 1 136.008 ? 204 NAG C C7 1 3 +HETATM 8615 C C8 . NAG AA 8 . ? 33.136 -13.173 10.363 1 132.479 ? 204 NAG C C8 1 3 +HETATM 8616 N N2 . NAG AA 8 . ? 32.575 -13.358 7.984 1 141.145 ? 204 NAG C N2 1 3 +HETATM 8617 O O3 . NAG AA 8 . ? 32.613 -10.416 8.73 1 128.089 ? 204 NAG C O3 1 3 +HETATM 8618 O O4 . NAG AA 8 . ? 32.655 -8.625 6.561 1 122.982 ? 204 NAG C O4 1 3 +HETATM 8619 O O5 . NAG AA 8 . ? 33.897 -11.72 4.952 1 98.08 ? 204 NAG C O5 1 3 +HETATM 8620 O O6 . NAG AA 8 . ? 33.543 -10.273 2.696 1 116.886 ? 204 NAG C O6 1 3 +HETATM 8621 O O7 . NAG AA 8 . ? 31.103 -14.039 9.511 1 139.073 ? 204 NAG C O7 1 3 +HETATM 8622 C C1 . NAG BA 8 . ? 49.778 -27.111 6.719 1 165.967 ? 205 NAG C C1 1 3 +HETATM 8623 C C2 . NAG BA 8 . ? 51.119 -26.477 7.072 1 165.219 ? 205 NAG C C2 1 3 +HETATM 8624 C C3 . NAG BA 8 . ? 52.223 -27.062 6.198 1 164.397 ? 205 NAG C C3 1 3 +HETATM 8625 C C4 . NAG BA 8 . ? 52.221 -28.58 6.264 1 173.407 ? 205 NAG C C4 1 3 +HETATM 8626 C C5 . NAG BA 8 . ? 50.849 -29.15 5.919 1 166.619 ? 205 NAG C C5 1 3 +HETATM 8627 C C6 . NAG BA 8 . ? 50.759 -30.649 6.17 1 150.863 ? 205 NAG C C6 1 3 +HETATM 8628 C C7 . NAG BA 8 . ? 50.4 -24.221 6.232 1 162.197 ? 205 NAG C C7 1 3 +HETATM 8629 C C8 . NAG BA 8 . ? 50.639 -24.329 4.757 1 140.256 ? 205 NAG C C8 1 3 +HETATM 8630 N N2 . NAG BA 8 . ? 51.146 -25.025 7.011 1 177.065 ? 205 NAG C N2 1 3 +HETATM 8631 O O3 . NAG BA 8 . ? 53.489 -26.559 6.6 1 150.339 ? 205 NAG C O3 1 3 +HETATM 8632 O O4 . NAG BA 8 . ? 53.187 -29.05 5.33 1 195.162 ? 205 NAG C O4 1 3 +HETATM 8633 O O5 . NAG BA 8 . ? 49.841 -28.542 6.751 1 177.018 ? 205 NAG C O5 1 3 +HETATM 8634 O O6 . NAG BA 8 . ? 49.924 -31.316 5.21 1 124.068 ? 205 NAG C O6 1 3 +HETATM 8635 O O7 . NAG BA 8 . ? 49.621 -23.391 6.703 1 147.285 ? 205 NAG C O7 1 3 +HETATM 8636 N N1 . IMD CA 5 . ? 29.778 -35.468 -5.935 1 120.866 ? 206 IMD C N1 1 3 +HETATM 8637 C C2 . IMD CA 5 . ? 29.877 -34.204 -6.437 1 123.685 ? 206 IMD C C2 1 3 +HETATM 8638 N N3 . IMD CA 5 . ? 29.069 -33.416 -5.722 1 131.466 ? 206 IMD C N3 1 3 +HETATM 8639 C C4 . IMD CA 5 . ? 28.465 -34.167 -4.748 1 125.211 ? 206 IMD C C4 1 3 +HETATM 8640 C C5 . IMD CA 5 . ? 28.908 -35.45 -4.891 1 121.899 ? 206 IMD C C5 1 3 +HETATM 8641 ZN ZN . ZN DA 7 . ? 24.693 -30.912 4.746 1 106.732 2 207 ZN C ZN 1 ? +HETATM 8642 ZN ZN . ZN EA 7 . ? 27.07 -45.148 27.344 1 80.908 2 208 ZN C ZN 1 ? +HETATM 8643 N N1 . IMD FA 5 . ? 23.479 -27.122 -54.396 1 114.278 ? 301 IMD D N1 1 4 +HETATM 8644 C C2 . IMD FA 5 . ? 23.895 -28.267 -53.793 1 125.706 ? 301 IMD D C2 1 4 +HETATM 8645 N N3 . IMD FA 5 . ? 23.156 -29.277 -54.262 1 132.551 ? 301 IMD D N3 1 4 +HETATM 8646 C C4 . IMD FA 5 . ? 22.282 -28.796 -55.182 1 130.442 ? 301 IMD D C4 1 4 +HETATM 8647 C C5 . IMD FA 5 . ? 22.487 -27.452 -55.257 1 133.595 ? 301 IMD D C5 1 4 +HETATM 8648 C C1 . GOL GA 6 . ? 36.2 -14.083 -81.062 1 92.951 ? 302 GOL D C1 1 4 +HETATM 8649 O O1 . GOL GA 6 . ? 36.311 -12.776 -80.489 1 88.13 ? 302 GOL D O1 1 4 +HETATM 8650 C C2 . GOL GA 6 . ? 37.555 -14.747 -81.259 1 98.519 ? 302 GOL D C2 1 4 +HETATM 8651 O O2 . GOL GA 6 . ? 38.236 -14.119 -82.365 1 85.657 ? 302 GOL D O2 1 4 +HETATM 8652 C C3 . GOL GA 6 . ? 38.375 -14.771 -79.964 1 92.473 ? 302 GOL D C3 1 4 +HETATM 8653 O O3 . GOL GA 6 . ? 39.454 -15.709 -79.96 1 78.755 ? 302 GOL D O3 1 4 +HETATM 8654 C C1 . GOL HA 6 . ? 18.022 -35.903 -43.569 1 97.895 ? 303 GOL D C1 1 4 +HETATM 8655 O O1 . GOL HA 6 . ? 17.245 -37.095 -43.649 1 85.252 ? 303 GOL D O1 1 4 +HETATM 8656 C C2 . GOL HA 6 . ? 17.9 -35.122 -44.853 1 110.818 ? 303 GOL D C2 1 4 +HETATM 8657 O O2 . GOL HA 6 . ? 18.917 -34.126 -44.951 1 111.242 ? 303 GOL D O2 1 4 +HETATM 8658 C C3 . GOL HA 6 . ? 17.972 -36.037 -46.047 1 111.771 ? 303 GOL D C3 1 4 +HETATM 8659 O O3 . GOL HA 6 . ? 18.875 -37.106 -45.783 1 117.686 ? 303 GOL D O3 1 4 +HETATM 8660 ZN ZN . ZN IA 7 . ? 22.695 -29.572 -51.145 0.68 126.619 2 304 ZN D ZN 1 ? +HETATM 8661 ZN ZN . ZN JA 7 . ? 41.867 -28.649 -75.076 1 113.748 2 305 ZN D ZN 1 ? +HETATM 8662 N N1 . IMD KA 5 . ? 2.654 -48.417 -51.516 1 107.743 ? 301 IMD E N1 1 5 +HETATM 8663 C C2 . IMD KA 5 . ? 3.992 -48.642 -51.68 1 112.231 ? 301 IMD E C2 1 5 +HETATM 8664 N N3 . IMD KA 5 . ? 4.286 -49.79 -51.079 1 120.867 ? 301 IMD E N3 1 5 +HETATM 8665 C C4 . IMD KA 5 . ? 3.147 -50.281 -50.505 1 121.113 ? 301 IMD E C4 1 5 +HETATM 8666 C C5 . IMD KA 5 . ? 2.135 -49.414 -50.773 1 110.394 ? 301 IMD E C5 1 5 +HETATM 8667 C C1 . GOL LA 6 . ? 50.527 -11.527 -42.964 1 83.049 ? 302 GOL E C1 1 5 +HETATM 8668 O O1 . GOL LA 6 . ? 50.478 -11.853 -44.35 1 85.653 ? 302 GOL E O1 1 5 +HETATM 8669 C C2 . GOL LA 6 . ? 51.962 -11.629 -42.521 1 91.873 ? 302 GOL E C2 1 5 +HETATM 8670 O O2 . GOL LA 6 . ? 52.698 -10.707 -43.32 1 86.885 ? 302 GOL E O2 1 5 +HETATM 8671 C C3 . GOL LA 6 . ? 52.199 -11.4 -41.046 1 100.323 ? 302 GOL E C3 1 5 +HETATM 8672 O O3 . GOL LA 6 . ? 53.52 -10.922 -40.796 1 109.652 ? 302 GOL E O3 1 5 +HETATM 8673 ZN ZN . ZN MA 7 . ? 5.841 -56.937 -39.606 1 85.272 2 303 ZN E ZN 1 ? +HETATM 8674 ZN ZN . ZN NA 7 . ? 24.561 -30.378 -32.118 1 102.873 2 304 ZN E ZN 1 ? +HETATM 8675 ZN ZN . ZN OA 7 . ? 6.194 -49.128 -49.644 0.94 102.891 2 305 ZN E ZN 1 ? +HETATM 8676 ZN ZN . ZN PA 7 . ? 45.55 -8.957 -54.879 1 104.646 2 306 ZN E ZN 1 ? +HETATM 8677 ZN ZN . ZN QA 7 . ? 41.053 -20.633 -34.793 1 115.388 2 307 ZN E ZN 1 ? +HETATM 8678 ZN ZN . ZN RA 7 . ? 41.466 -39.723 -56.767 0.76 109.09 2 308 ZN E ZN 1 ? +HETATM 8679 ZN ZN . ZN SA 7 . ? 9.48 -48.436 -26.512 1 134.276 2 309 ZN E ZN 1 ? +HETATM 8680 ZN ZN . ZN TA 7 . ? 27.009 -26.651 -32.987 0.78 143.959 2 310 ZN E ZN 1 ? +HETATM 8681 ZN ZN . ZN UA 7 . ? 26.131 -45.795 -44.167 0.54 110.498 2 311 ZN E ZN 1 ? +HETATM 8682 ZN ZN . ZN VA 7 . ? 22.803 -55.621 -33.974 0.53 94.332 2 312 ZN E ZN 1 ? +HETATM 8683 C C1 . NAG WA 8 . ? 58.758 -3.744 -95.264 1 98.48 ? 201 NAG F C1 1 6 +HETATM 8684 C C2 . NAG WA 8 . ? 59.866 -3.129 -96.107 1 104.59 ? 201 NAG F C2 1 6 +HETATM 8685 C C3 . NAG WA 8 . ? 60.181 -4.107 -97.23 1 103.168 ? 201 NAG F C3 1 6 +HETATM 8686 C C4 . NAG WA 8 . ? 60.775 -5.408 -96.689 1 100.311 ? 201 NAG F C4 1 6 +HETATM 8687 C C5 . NAG WA 8 . ? 60.068 -5.862 -95.422 1 101.965 ? 201 NAG F C5 1 6 +HETATM 8688 C C6 . NAG WA 8 . ? 60.87 -5.627 -94.162 1 109.974 ? 201 NAG F C6 1 6 +HETATM 8689 C C7 . NAG WA 8 . ? 59.593 -0.642 -95.769 1 111.635 ? 201 NAG F C7 1 6 +HETATM 8690 C C8 . NAG WA 8 . ? 60.737 -0.462 -94.811 1 101.933 ? 201 NAG F C8 1 6 +HETATM 8691 N N2 . NAG WA 8 . ? 59.611 -1.756 -96.555 1 109.393 ? 201 NAG F N2 1 6 +HETATM 8692 O O3 . NAG WA 8 . ? 61.079 -3.457 -98.118 1 120.225 ? 201 NAG F O3 1 6 +HETATM 8693 O O4 . NAG WA 8 . ? 60.592 -6.483 -97.604 1 94.353 ? 201 NAG F O4 1 6 +HETATM 8694 O O5 . NAG WA 8 . ? 58.8 -5.18 -95.291 1 108.773 ? 201 NAG F O5 1 6 +HETATM 8695 O O6 . NAG WA 8 . ? 60.708 -6.694 -93.24 1 97.421 ? 201 NAG F O6 1 6 +HETATM 8696 O O7 . NAG WA 8 . ? 58.677 0.187 -95.805 1 98.153 ? 201 NAG F O7 1 6 +HETATM 8697 C C1 . NAG XA 8 . ? 39.841 6.322 -101.76 1 99.012 ? 202 NAG F C1 1 6 +HETATM 8698 C C2 . NAG XA 8 . ? 38.5 6.428 -102.46 1 100.44 ? 202 NAG F C2 1 6 +HETATM 8699 C C3 . NAG XA 8 . ? 38.304 5.23 -103.379 1 103.307 ? 202 NAG F C3 1 6 +HETATM 8700 C C4 . NAG XA 8 . ? 39.347 5.183 -104.491 1 100.917 ? 202 NAG F C4 1 6 +HETATM 8701 C C5 . NAG XA 8 . ? 40.722 5.568 -103.965 1 111.476 ? 202 NAG F C5 1 6 +HETATM 8702 C C6 . NAG XA 8 . ? 41.138 6.958 -104.402 1 115.313 ? 202 NAG F C6 1 6 +HETATM 8703 C C7 . NAG XA 8 . ? 37.179 7.549 -100.731 1 85.574 ? 202 NAG F C7 1 6 +HETATM 8704 C C8 . NAG XA 8 . ? 36.498 7.278 -99.423 1 82.134 ? 202 NAG F C8 1 6 +HETATM 8705 N N2 . NAG XA 8 . ? 37.447 6.475 -101.471 1 96.117 ? 202 NAG F N2 1 6 +HETATM 8706 O O3 . NAG XA 8 . ? 36.981 5.272 -103.894 1 106.871 ? 202 NAG F O3 1 6 +HETATM 8707 O O4 . NAG XA 8 . ? 39.466 3.84 -104.941 1 97.376 ? 202 NAG F O4 1 6 +HETATM 8708 O O5 . NAG XA 8 . ? 40.748 5.499 -102.514 1 126.686 ? 202 NAG F O5 1 6 +HETATM 8709 O O6 . NAG XA 8 . ? 42.531 7.179 -104.157 1 111.699 ? 202 NAG F O6 1 6 +HETATM 8710 O O7 . NAG XA 8 . ? 37.46 8.679 -101.115 1 72.403 ? 202 NAG F O7 1 6 +HETATM 8711 C C1 . NAG YA 8 . ? 54.656 11.409 -76.951 1 115.748 ? 203 NAG F C1 1 6 +HETATM 8712 C C2 . NAG YA 8 . ? 55.995 10.709 -76.725 1 119.428 ? 203 NAG F C2 1 6 +HETATM 8713 C C3 . NAG YA 8 . ? 56.622 11.226 -75.433 1 118.096 ? 203 NAG F C3 1 6 +HETATM 8714 C C4 . NAG YA 8 . ? 56.701 12.743 -75.351 1 120.396 ? 203 NAG F C4 1 6 +HETATM 8715 C C5 . NAG YA 8 . ? 55.521 13.51 -75.953 1 118.645 ? 203 NAG F C5 1 6 +HETATM 8716 C C6 . NAG YA 8 . ? 56.021 14.809 -76.58 1 139.941 ? 203 NAG F C6 1 6 +HETATM 8717 C C7 . NAG YA 8 . ? 56.408 8.468 -77.8 1 106.505 ? 203 NAG F C7 1 6 +HETATM 8718 C C8 . NAG YA 8 . ? 57.894 8.416 -78.032 1 87.694 ? 203 NAG F C8 1 6 +HETATM 8719 N N2 . NAG YA 8 . ? 55.963 9.248 -76.784 1 114.356 ? 203 NAG F N2 1 6 +HETATM 8720 O O3 . NAG YA 8 . ? 57.956 10.751 -75.364 1 122.342 ? 203 NAG F O3 1 6 +HETATM 8721 O O4 . NAG YA 8 . ? 56.804 13.111 -73.977 1 119.003 ? 203 NAG F O4 1 6 +HETATM 8722 O O5 . NAG YA 8 . ? 54.829 12.831 -77.022 1 108.56 ? 203 NAG F O5 1 6 +HETATM 8723 O O6 . NAG YA 8 . ? 55.776 16.004 -75.815 1 166.059 ? 203 NAG F O6 1 6 +HETATM 8724 O O7 . NAG YA 8 . ? 55.641 7.794 -78.49 1 98.389 ? 203 NAG F O7 1 6 +HETATM 8725 C C1 . NAG ZA 8 . ? 45.947 -21.247 -81.122 1 98.23 ? 204 NAG F C1 1 6 +HETATM 8726 C C2 . NAG ZA 8 . ? 45.072 -21.097 -82.342 1 104.561 ? 204 NAG F C2 1 6 +HETATM 8727 C C3 . NAG ZA 8 . ? 43.629 -21.306 -81.915 1 105.787 ? 204 NAG F C3 1 6 +HETATM 8728 C C4 . NAG ZA 8 . ? 43.468 -22.663 -81.237 1 111.39 ? 204 NAG F C4 1 6 +HETATM 8729 C C5 . NAG ZA 8 . ? 44.517 -22.851 -80.133 1 107.162 ? 204 NAG F C5 1 6 +HETATM 8730 C C6 . NAG ZA 8 . ? 44.568 -24.249 -79.584 1 107.141 ? 204 NAG F C6 1 6 +HETATM 8731 C C7 . NAG ZA 8 . ? 45.962 -19.559 -84.058 1 100.585 ? 204 NAG F C7 1 6 +HETATM 8732 C C8 . NAG ZA 8 . ? 46.101 -20.665 -85.081 1 76.629 ? 204 NAG F C8 1 6 +HETATM 8733 N N2 . NAG ZA 8 . ? 45.25 -19.807 -82.958 1 102.958 ? 204 NAG F N2 1 6 +HETATM 8734 O O3 . NAG ZA 8 . ? 42.817 -21.188 -83.074 1 114.918 ? 204 NAG F O3 1 6 +HETATM 8735 O O4 . NAG ZA 8 . ? 42.152 -22.715 -80.689 1 125.129 ? 204 NAG F O4 1 6 +HETATM 8736 O O5 . NAG ZA 8 . ? 45.837 -22.592 -80.647 1 104.442 ? 204 NAG F O5 1 6 +HETATM 8737 O O6 . NAG ZA 8 . ? 44.905 -25.165 -80.617 1 118.022 ? 204 NAG F O6 1 6 +HETATM 8738 O O7 . NAG ZA 8 . ? 46.392 -18.424 -84.238 1 99.924 ? 204 NAG F O7 1 6 +HETATM 8739 C C1 . NAG AB 8 . ? 63.509 -9.128 -76.27 1 161.587 ? 205 NAG F C1 1 6 +HETATM 8740 C C2 . NAG AB 8 . ? 64.784 -8.292 -76.212 1 164.49 ? 205 NAG F C2 1 6 +HETATM 8741 C C3 . NAG AB 8 . ? 65.215 -8.145 -74.751 1 161.457 ? 205 NAG F C3 1 6 +HETATM 8742 C C4 . NAG AB 8 . ? 64.086 -7.526 -73.938 1 154.816 ? 205 NAG F C4 1 6 +HETATM 8743 C C5 . NAG AB 8 . ? 62.847 -8.406 -74.042 1 157.658 ? 205 NAG F C5 1 6 +HETATM 8744 C C6 . NAG AB 8 . ? 61.616 -7.846 -73.346 1 151.344 ? 205 NAG F C6 1 6 +HETATM 8745 C C7 . NAG AB 8 . ? 66.252 -8.061 -78.183 1 133.56 ? 205 NAG F C7 1 6 +HETATM 8746 C C8 . NAG AB 8 . ? 66.467 -6.577 -78.084 1 126.271 ? 205 NAG F C8 1 6 +HETATM 8747 N N2 . NAG AB 8 . ? 65.87 -8.717 -77.08 1 146.305 ? 205 NAG F N2 1 6 +HETATM 8748 O O3 . NAG AB 8 . ? 66.379 -7.338 -74.66 1 168.696 ? 205 NAG F O3 1 6 +HETATM 8749 O O4 . NAG AB 8 . ? 64.472 -7.415 -72.576 1 139.054 ? 205 NAG F O4 1 6 +HETATM 8750 O O5 . NAG AB 8 . ? 62.511 -8.528 -75.437 1 169.042 ? 205 NAG F O5 1 6 +HETATM 8751 O O6 . NAG AB 8 . ? 61.63 -6.412 -73.287 1 149.744 ? 205 NAG F O6 1 6 +HETATM 8752 O O7 . NAG AB 8 . ? 66.406 -8.658 -79.236 1 123.013 ? 205 NAG F O7 1 6 +HETATM 8753 N N1 . IMD BB 5 . ? 41.194 0.535 -70.457 1 125.867 ? 206 IMD F N1 1 6 +HETATM 8754 C C2 . IMD BB 5 . ? 40.654 -0.649 -70.895 1 120.674 ? 206 IMD F C2 1 6 +HETATM 8755 N N3 . IMD BB 5 . ? 40.502 -0.563 -72.219 1 124.744 ? 206 IMD F N3 1 6 +HETATM 8756 C C4 . IMD BB 5 . ? 40.927 0.676 -72.635 1 119.421 ? 206 IMD F C4 1 6 +HETATM 8757 C C5 . IMD BB 5 . ? 41.354 1.354 -71.53 1 124.709 ? 206 IMD F C5 1 6 +HETATM 8758 ZN ZN . ZN CB 7 . ? 40.106 -2.204 -81.152 1 118.165 2 207 ZN F ZN 1 ? +HETATM 8759 O O . HOH DB 9 . ? 32.769 -5.385 -4.4 1 55.377 ? 401 HOH A O 1 ? +HETATM 8760 O O . HOH DB 9 . ? 38.837 -25.146 -17.4 1 43.762 ? 402 HOH A O 1 ? +HETATM 8761 O O . HOH DB 9 . ? 29.431 -5.009 -41.184 1 68.526 ? 403 HOH A O 1 ? +HETATM 8762 O O . HOH DB 9 . ? 33.292 -7.196 -0.765 1 63.093 ? 404 HOH A O 1 ? +HETATM 8763 O O . HOH DB 9 . ? 12.176 -15.596 -42.366 1 66.609 ? 405 HOH A O 1 ? +HETATM 8764 O O . HOH EB 9 . ? 11.025 18.446 -36.579 1 76.338 ? 401 HOH B O 1 ? +HETATM 8765 O O . HOH EB 9 . ? 13.924 26.48 -40.33 1 73.077 ? 402 HOH B O 1 ? +HETATM 8766 O O . HOH EB 9 . ? 52.213 -23.763 -33.595 1 68.22 ? 403 HOH B O 1 ? +HETATM 8767 O O . HOH EB 9 . ? 41.206 -27.029 -19.987 1 34.133 ? 404 HOH B O 1 ? +HETATM 8768 O O . HOH EB 9 . ? 48.735 -25.661 -28.892 1 59.108 ? 405 HOH B O 1 ? +HETATM 8769 O O . HOH EB 9 . ? 29.878 15.322 -53.665 1 58.779 ? 406 HOH B O 1 ? +HETATM 8770 O O . HOH EB 9 . ? 37.306 -27.959 -21.849 1 66.042 ? 407 HOH B O 1 ? +HETATM 8771 O O . HOH FB 9 . ? 34.179 -20.077 -8.464 1 43.622 ? 301 HOH C O 1 ? +HETATM 8772 O O . HOH GB 9 . ? 42.908 -8.511 -55.244 1 71.505 ? 401 HOH D O 1 ? +HETATM 8773 O O . HOH GB 9 . ? 42.636 -6.584 -58.428 1 50.693 ? 402 HOH D O 1 ? +HETATM 8774 O O . HOH GB 9 . ? 8.724 -17.57 -42.802 1 62.634 ? 403 HOH D O 1 ? +HETATM 8775 O O . HOH GB 9 . ? 45.664 -11.1 -57.229 1 55.604 ? 404 HOH D O 1 ? +HETATM 8776 O O . HOH GB 9 . ? 5.184 -16.386 -42.85 1 68.543 ? 405 HOH D O 1 ? +HETATM 8777 O O . HOH GB 9 . ? 5.991 -12.84 -42.504 1 71.098 ? 406 HOH D O 1 ? +HETATM 8778 O O . HOH GB 9 . ? 9.385 -14.176 -42.797 1 69.14 ? 407 HOH D O 1 ? +HETATM 8779 O O . HOH GB 9 . ? 30.605 -28.864 -53.87 1 50.456 ? 408 HOH D O 1 ? +HETATM 8780 O O . HOH HB 9 . ? 42.215 -29.197 -71.093 1 69.679 ? 401 HOH E O 1 ? +HETATM 8781 O O . HOH HB 9 . ? 48.348 -9.058 -53.572 1 57.813 ? 402 HOH E O 1 ? +HETATM 8782 O O . HOH HB 9 . ? 42.699 -15.376 -66.579 1 50.472 ? 403 HOH E O 1 ? +HETATM 8783 O O . HOH HB 9 . ? -6.780 -37.206 -36.866 1 66.591 ? 404 HOH E O 1 ? +HETATM 8784 O O . HOH HB 9 . ? 14.464 -43.299 -51.627 1 47.467 ? 405 HOH E O 1 ? +HETATM 8785 O O . HOH IB 9 . ? 48.769 -13.134 -94.038 1 56.425 ? 301 HOH F O 1 ? +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . GLU A 1 ? 1.95219 1.34096 1.46843 0.137975 0.0210146 -0.0404931 1 GLU A N +2 C CA . GLU A 1 ? 1.755 1.21973 1.34633 0.125448 0.0274239 -0.0382811 1 GLU A CA +3 C C . GLU A 1 ? 1.60309 1.11808 1.25703 0.0976012 0.0249566 -0.0370658 1 GLU A C +4 O O . GLU A 1 ? 1.42339 0.920322 1.07626 0.0681593 0.011025 -0.0370268 1 GLU A O +5 C CB . GLU A 1 ? 1.7507 1.18791 1.32082 0.113405 0.0169052 -0.0397933 1 GLU A CB +6 C CG . GLU A 1 ? 1.76297 1.26428 1.39836 0.0994528 0.0207847 -0.0376265 1 GLU A CG +7 C CD . GLU A 1 ? 1.89929 1.37037 1.51209 0.0838497 0.00682557 -0.0387036 1 GLU A CD +8 O OE1 . GLU A 1 ? 1.84066 1.26926 1.42604 0.0579885 -0.0132379 -0.0394948 1 GLU A OE1 +9 O OE2 . GLU A 1 ? 2.01647 1.50585 1.63782 0.0959415 0.0145861 -0.0375846 1 GLU A OE2 +10 N N . VAL A 2 ? 1.41699 0.996626 1.12484 0.107841 0.0389102 -0.0346568 2 VAL A N +11 C CA . VAL A 2 ? 1.21903 0.848361 0.985486 0.085803 0.0386991 -0.0338051 2 VAL A CA +12 C C . VAL A 2 ? 1.16363 0.821888 0.969236 0.0623937 0.0342347 -0.0332649 2 VAL A C +13 O O . VAL A 2 ? 1.20891 0.882997 1.02396 0.0702581 0.0390481 -0.0325503 2 VAL A O +14 C CB . VAL A 2 ? 1.1127 0.795391 0.917022 0.103909 0.0522979 -0.0311864 2 VAL A CB +15 C CG1 . VAL A 2 ? 1.06345 0.794075 0.924004 0.0830119 0.0521288 -0.031052 2 VAL A CG1 +16 C CG2 . VAL A 2 ? 1.11613 0.774404 0.883158 0.129412 0.0566221 -0.0301634 2 VAL A CG2 +17 N N . GLN A 3 ? 1.12185 0.789677 0.950906 0.0352922 0.0262003 -0.0321781 3 GLN A N +18 C CA . GLN A 3 ? 1.08792 0.789184 0.957534 0.0161912 0.0233828 -0.0301427 3 GLN A CA +19 C C . GLN A 3 ? 1.05257 0.795583 0.968413 0.00316597 0.0270756 -0.0281063 3 GLN A C +20 O O . GLN A 3 ? 1.16259 0.894001 1.07017 -0.00347919 0.0247391 -0.0268936 3 GLN A O +21 C CB . GLN A 3 ? 1.0785 0.745368 0.923254 -0.00374139 0.00757903 -0.0280101 3 GLN A CB +22 C CG . GLN A 3 ? 1.17466 0.795503 0.968455 0.010245 0.00337423 -0.0307852 3 GLN A CG +23 C CD . GLN A 3 ? 1.28816 0.858896 1.04162 -0.010895 -0.0169033 -0.0289515 3 GLN A CD +24 O OE1 . GLN A 3 ? 1.25712 0.773602 0.96145 -0.0162329 -0.0275615 -0.0291629 3 GLN A OE1 +25 N NE2 . GLN A 3 ? 1.28554 0.870981 1.05602 -0.0236445 -0.0239319 -0.0265162 3 GLN A NE2 +26 N N . LEU A 4 ? 0.885943 0.672812 0.845021 0.00123745 0.0332366 -0.0275217 4 LEU A N +27 C CA . LEU A 4 ? 0.857571 0.678334 0.854968 -0.0109744 0.0359376 -0.0251796 4 LEU A CA +28 C C . LEU A 4 ? 0.84858 0.687884 0.869373 -0.0241427 0.0323652 -0.021311 4 LEU A C +29 O O . LEU A 4 ? 0.830597 0.680263 0.859883 -0.0180574 0.0348236 -0.0225899 4 LEU A O +30 C CB . LEU A 4 ? 0.843879 0.694915 0.865269 0.00156052 0.046123 -0.0279363 4 LEU A CB +31 C CG . LEU A 4 ? 0.862352 0.705847 0.868824 0.0144516 0.0494035 -0.0299504 4 LEU A CG +32 C CD1 . LEU A 4 ? 0.853936 0.732664 0.888942 0.0220436 0.056029 -0.0308034 4 LEU A CD1 +33 C CD2 . LEU A 4 ? 0.837008 0.665036 0.832321 0.00582645 0.0464078 -0.0288109 4 LEU A CD2 +34 N N . LEU A 5 ? 0.871729 0.718787 0.904537 -0.0412355 0.0273118 -0.0149319 5 LEU A N +35 C CA . LEU A 5 ? 0.995788 0.865081 1.05226 -0.0517329 0.0237839 -0.00906805 5 LEU A CA +36 C C . LEU A 5 ? 0.989989 0.896939 1.08233 -0.054725 0.0316003 -0.00373051 5 LEU A C +37 O O . LEU A 5 ? 1.17409 1.08606 1.2703 -0.0646777 0.0306159 0.00311903 5 LEU A O +38 C CB . LEU A 5 ? 1.03982 0.885238 1.07531 -0.069665 0.00819677 -0.00264774 5 LEU A CB +39 C CG . LEU A 5 ? 1.18715 1.05598 1.24509 -0.0811774 0.00133325 0.00526179 5 LEU A CG +40 C CD1 . LEU A 5 ? 1.25753 1.12475 1.313 -0.0677188 0.00421531 -0.00110966 5 LEU A CD1 +41 C CD2 . LEU A 5 ? 1.36587 1.21672 1.40749 -0.104308 -0.0173986 0.0145391 5 LEU A CD2 +42 N N . GLU A 6 ? 0.978779 0.909526 1.09389 -0.045829 0.039331 -0.00561385 6 GLU A N +43 C CA . GLU A 6 ? 0.875977 0.835923 1.01741 -0.0438255 0.0476785 -0.00097852 6 GLU A CA +44 C C . GLU A 6 ? 0.860751 0.843285 1.02109 -0.053243 0.0434141 0.0106772 6 GLU A C +45 O O . GLU A 6 ? 1.01312 0.99014 1.16912 -0.0602273 0.0335795 0.0129482 6 GLU A O +46 C CB . GLU A 6 ? 0.92786 0.896532 1.07911 -0.0307715 0.0561195 -0.00720214 6 GLU A CB +47 C CG . GLU A 6 ? 0.987417 0.943999 1.12736 -0.022657 0.0596969 -0.0159066 6 GLU A CG +48 C CD . GLU A 6 ? 1.02576 0.969764 1.15338 -0.0183757 0.0567081 -0.0207546 6 GLU A CD +49 O OE1 . GLU A 6 ? 1.071 1.01569 1.19734 -0.0114013 0.0598514 -0.0250883 6 GLU A OE1 +50 O OE2 . GLU A 6 ? 1.20582 1.14022 1.32425 -0.0216491 0.0510177 -0.0189805 6 GLU A OE2 +51 N N . SER A 7 ? 0.843562 0.852718 1.02378 -0.051971 0.0510796 0.0192324 7 SER A N +52 C CA . SER A 7 ? 0.968866 1.01073 1.17323 -0.0573949 0.0497934 0.0337688 7 SER A CA +53 C C . SER A 7 ? 1.05195 1.11956 1.27274 -0.0438509 0.0650422 0.0396376 7 SER A C +54 O O . SER A 7 ? 0.916802 0.970362 1.12572 -0.0339695 0.0736053 0.0313298 7 SER A O +55 C CB . SER A 7 ? 0.979189 1.0244 1.18381 -0.0790253 0.0372395 0.0457582 7 SER A CB +56 O OG . SER A 7 ? 1.11405 1.15283 1.31104 -0.0834235 0.0412483 0.0477663 7 SER A OG +57 N N . GLY A 8 ? 1.05687 1.16037 1.30183 -0.0409312 0.0683312 0.0538953 8 GLY A N +58 C CA . GLY A 8 ? 1.03193 1.16093 1.28922 -0.0247669 0.0843167 0.062649 8 GLY A CA +59 C C . GLY A 8 ? 0.958839 1.08405 1.21248 -0.0019287 0.0942121 0.0566106 8 GLY A C +60 O O . GLY A 8 ? 0.855444 0.995785 1.11217 0.016211 0.108387 0.0635492 8 GLY A O +61 N N . GLY A 9 ? 0.858358 0.960144 1.1014 -0.00198607 0.0872563 0.0444833 9 GLY A N +62 C CA . GLY A 9 ? 0.904154 0.995754 1.13975 0.0159282 0.0939469 0.0389707 9 GLY A CA +63 C C . GLY A 9 ? 0.862335 0.982638 1.11646 0.0227768 0.0939033 0.0517534 9 GLY A C +64 O O . GLY A 9 ? 0.743984 0.896536 1.02005 0.0117795 0.0874367 0.0658489 9 GLY A O +65 N N . GLY A 10 ? 0.900676 1.00674 1.14365 0.0399451 0.099652 0.0472086 10 GLY A N +66 C CA . GLY A 10 ? 1.01965 1.14845 1.2747 0.0532066 0.102196 0.0587009 10 GLY A CA +67 C C . GLY A 10 ? 1.00193 1.11738 1.23875 0.0812861 0.117288 0.0585733 10 GLY A C +68 O O . GLY A 10 ? 0.855793 0.933117 1.06505 0.0867283 0.121808 0.0456693 10 GLY A O +69 N N . LEU A 11 ? 0.948185 1.09468 1.19821 0.0996984 0.124388 0.0742291 11 LEU A N +70 C CA . LEU A 11 ? 0.869803 0.998724 1.09598 0.130857 0.138837 0.0752781 11 LEU A CA +71 C C . LEU A 11 ? 0.848523 0.996785 1.07434 0.149171 0.15515 0.0859454 11 LEU A C +72 O O . LEU A 11 ? 0.930236 1.13117 1.18954 0.144874 0.157238 0.103647 11 LEU A O +73 C CB . LEU A 11 ? 0.850634 1.00025 1.08675 0.146239 0.139162 0.0870448 11 LEU A CB +74 C CG . LEU A 11 ? 0.903386 1.03029 1.10878 0.182927 0.154619 0.0894485 11 LEU A CG +75 C CD1 . LEU A 11 ? 0.974898 1.02884 1.13201 0.184877 0.153392 0.0685174 11 LEU A CD1 +76 C CD2 . LEU A 11 ? 0.875909 1.03005 1.09391 0.200725 0.155471 0.10399 11 LEU A CD2 +77 N N . VAL A 12 ? 0.938464 1.04269 1.12403 0.169213 0.166089 0.0763484 12 VAL A N +78 C CA . VAL A 12 ? 1.00326 1.11659 1.17806 0.192187 0.183833 0.0854616 12 VAL A CA +79 C C . VAL A 12 ? 1.07421 1.13851 1.19866 0.226687 0.196184 0.0801956 12 VAL A C +80 O O . VAL A 12 ? 0.981482 0.989704 1.07184 0.223872 0.188113 0.0636337 12 VAL A O +81 C CB . VAL A 12 ? 0.996961 1.09847 1.1669 0.174452 0.181792 0.0768808 12 VAL A CB +82 C CG1 . VAL A 12 ? 1.0706 1.10787 1.20293 0.163618 0.172036 0.0530312 12 VAL A CG1 +83 C CG2 . VAL A 12 ? 1.0306 1.14799 1.19288 0.196578 0.200734 0.088924 12 VAL A CG2 +84 N N . GLN A 13 ? 1.10999 1.19489 1.22755 0.259807 0.216122 0.0959746 13 GLN A N +85 C CA . GLN A 13 ? 1.11802 1.15302 1.18007 0.298171 0.230157 0.093 13 GLN A CA +86 C C . GLN A 13 ? 1.09302 1.05905 1.10258 0.295994 0.228625 0.0733265 13 GLN A C +87 O O . GLN A 13 ? 1.21787 1.19406 1.23779 0.279748 0.227342 0.0707644 13 GLN A O +88 C CB . GLN A 13 ? 1.31686 1.40324 1.391 0.335102 0.253626 0.118585 13 GLN A CB +89 C CG . GLN A 13 ? 1.43549 1.58693 1.55359 0.345657 0.256146 0.140712 13 GLN A CG +90 C CD . GLN A 13 ? 1.62189 1.73177 1.70642 0.367408 0.254809 0.13515 13 GLN A CD +91 O OE1 . GLN A 13 ? 1.55494 1.60852 1.58041 0.402941 0.267402 0.130229 13 GLN A OE1 +92 N NE2 . GLN A 13 ? 1.7066 1.83924 1.82354 0.347266 0.239175 0.136255 13 GLN A NE2 +93 N N . PRO A 14 ? 1.18127 1.0719 1.12869 0.31273 0.228024 0.0597202 14 PRO A N +94 C CA . PRO A 14 ? 1.22986 1.05362 1.12168 0.313704 0.226157 0.0436684 14 PRO A CA +95 C C . PRO A 14 ? 1.27796 1.11671 1.157 0.340757 0.246598 0.05462 14 PRO A C +96 O O . PRO A 14 ? 1.17416 1.04737 1.05826 0.37543 0.267003 0.073722 14 PRO A O +97 C CB . PRO A 14 ? 1.38774 1.13167 1.21312 0.332718 0.223537 0.0331852 14 PRO A CB +98 C CG . PRO A 14 ? 1.44065 1.21826 1.28178 0.360685 0.235583 0.0498909 14 PRO A CG +99 C CD . PRO A 14 ? 1.34866 1.21003 1.27127 0.331365 0.227927 0.059811 14 PRO A CD +100 N N . GLY A 15 ? 1.36723 1.18201 1.22969 0.325854 0.241571 0.0438086 15 GLY A N +101 C CA . GLY A 15 ? 1.41087 1.2379 1.26015 0.34824 0.260255 0.0535134 15 GLY A CA +102 C C . GLY A 15 ? 1.47648 1.38592 1.39524 0.326886 0.262862 0.0681528 15 GLY A C +103 O O . GLY A 15 ? 1.56487 1.48413 1.48028 0.329683 0.271849 0.0725857 15 GLY A O +104 N N . GLY A 16 ? 1.41458 1.37715 1.39197 0.303248 0.252943 0.0749415 16 GLY A N +105 C CA . GLY A 16 ? 1.29743 1.33747 1.33869 0.283641 0.254074 0.0920983 16 GLY A CA +106 C C . GLY A 16 ? 1.24547 1.27908 1.30046 0.245257 0.237508 0.0792761 16 GLY A C +107 O O . GLY A 16 ? 1.44994 1.42525 1.46856 0.235141 0.225986 0.0582614 16 GLY A O +108 N N . SER A 17 ? 1.20032 1.29478 1.30689 0.224409 0.235921 0.0938557 17 SER A N +109 C CA . SER A 17 ? 1.23854 1.3305 1.35652 0.192563 0.223434 0.0856119 17 SER A CA +110 C C . SER A 17 ? 1.18345 1.30928 1.34696 0.160005 0.206106 0.0880635 17 SER A C +111 O O . SER A 17 ? 1.46243 1.63599 1.66066 0.160754 0.207689 0.105039 17 SER A O +112 C CB . SER A 17 ? 1.36535 1.48397 1.4888 0.197225 0.237425 0.0999215 17 SER A CB +113 O OG . SER A 17 ? 1.714 1.78741 1.78507 0.224766 0.25058 0.0929856 17 SER A OG +114 N N . LEU A 18 ? 1.15804 1.25656 1.31718 0.133528 0.189475 0.0713975 18 LEU A N +115 C CA . LEU A 18 ? 1.15363 1.27134 1.34441 0.103654 0.172368 0.0708998 18 LEU A CA +116 C C . LEU A 18 ? 1.0631 1.16427 1.24892 0.0813279 0.162843 0.0618271 18 LEU A C +117 O O . LEU A 18 ? 0.937506 1.00061 1.09239 0.0864893 0.16358 0.0484074 18 LEU A O +118 C CB . LEU A 18 ? 1.09888 1.19107 1.28209 0.101559 0.161445 0.0576717 18 LEU A CB +119 C CG . LEU A 18 ? 1.13798 1.25359 1.352 0.0784751 0.146536 0.0607941 18 LEU A CG +120 C CD1 . LEU A 18 ? 1.12208 1.29193 1.37005 0.0824464 0.150841 0.0833273 18 LEU A CD1 +121 C CD2 . LEU A 18 ? 1.1218 1.20544 1.32245 0.0759627 0.136779 0.0459531 18 LEU A CD2 +122 N N . ARG A 19 ? 1.06403 1.19144 1.27697 0.057138 0.153075 0.0699771 19 ARG A N +123 C CA . ARG A 19 ? 1.00452 1.11343 1.20942 0.0375997 0.143876 0.0624706 19 ARG A CA +124 C C . ARG A 19 ? 0.994306 1.09408 1.20677 0.0158787 0.125559 0.0546677 19 ARG A C +125 O O . ARG A 19 ? 0.882503 1.00878 1.11818 0.00222433 0.11824 0.066144 19 ARG A O +126 C CB . ARG A 19 ? 1.0582 1.19751 1.2782 0.0285804 0.149481 0.0808008 19 ARG A CB +127 C CG . ARG A 19 ? 1.12148 1.23895 1.3304 0.00787612 0.139204 0.0748135 19 ARG A CG +128 C CD . ARG A 19 ? 1.17754 1.32928 1.40744 -0.00854384 0.140279 0.096727 19 ARG A CD +129 N NE . ARG A 19 ? 1.22337 1.34892 1.43737 -0.0279685 0.130433 0.0923158 19 ARG A NE +130 C CZ . ARG A 19 ? 1.51992 1.66269 1.74448 -0.0482817 0.127245 0.109495 19 ARG A CZ +131 N NH1 . ARG A 19 ? 1.66826 1.86176 1.92507 -0.0537972 0.132489 0.133786 19 ARG A NH1 +132 N NH2 . ARG A 19 ? 1.74897 1.85865 1.95123 -0.063234 0.118371 0.103806 19 ARG A NH2 +133 N N . LEU A 20 ? 0.911982 0.974302 1.10271 0.0132604 0.118115 0.036395 20 LEU A N +134 C CA . LEU A 20 ? 0.833547 0.882093 1.02416 -0.00238299 0.103405 0.0281767 20 LEU A CA +135 C C . LEU A 20 ? 0.923568 0.960491 1.10544 -0.0171828 0.0966885 0.027898 20 LEU A C +136 O O . LEU A 20 ? 1.1607 1.18964 1.33052 -0.0136076 0.102548 0.0275994 20 LEU A O +137 C CB . LEU A 20 ? 0.877439 0.897557 1.0513 0.00448784 0.100404 0.0118215 20 LEU A CB +138 C CG . LEU A 20 ? 0.984631 1.00387 1.15821 0.0182352 0.105359 0.0100663 20 LEU A CG +139 C CD1 . LEU A 20 ? 1.02899 1.01989 1.1867 0.0182042 0.0992718 -0.0042511 20 LEU A CD1 +140 C CD2 . LEU A 20 ? 0.925902 0.968627 1.12004 0.0160802 0.103145 0.019292 20 LEU A CD2 +141 N N . SER A 21 ? 1.00521 1.03567 1.18775 -0.0325418 0.0839052 0.0275058 21 SER A N +142 C CA . SER A 21 ? 0.909153 0.919252 1.07567 -0.0460491 0.0755659 0.0266993 21 SER A CA +143 C C . SER A 21 ? 0.816159 0.798921 0.966109 -0.0478824 0.0652514 0.0146479 21 SER A C +144 O O . SER A 21 ? 0.812914 0.799737 0.96993 -0.0452019 0.0625754 0.0116728 21 SER A O +145 C CB . SER A 21 ? 0.827832 0.854892 1.00545 -0.0646179 0.0700182 0.0435043 21 SER A CB +146 O OG . SER A 21 ? 1.02289 1.07819 1.2241 -0.0687944 0.0666565 0.0530812 21 SER A OG +147 N N . CYS A 22 ? 0.800833 0.755979 0.927021 -0.0495013 0.061148 0.00849823 22 CYS A N +148 C CA . CYS A 22 ? 0.925468 0.854648 1.03179 -0.0470023 0.0537438 -0.00097656 22 CYS A CA +149 C C . CYS A 22 ? 0.928589 0.827413 1.00693 -0.0562924 0.045552 0.00081832 22 CYS A C +150 O O . CYS A 22 ? 1.0958 0.982525 1.16045 -0.0527742 0.0486433 -0.00072756 22 CYS A O +151 C CB . CYS A 22 ? 1.01461 0.940928 1.11773 -0.0314242 0.059386 -0.0116871 22 CYS A CB +152 S SG . CYS A 22 ? 1.17527 1.07409 1.25154 -0.0236565 0.053909 -0.0196616 22 CYS A SG +153 N N . ALA A 23 ? 0.884197 0.766189 0.9496 -0.068442 0.0340055 0.00435374 23 ALA A N +154 C CA . ALA A 23 ? 1.01655 0.859374 1.04668 -0.0783399 0.0239796 0.00602742 23 ALA A CA +155 C C . ALA A 23 ? 1.08632 0.894528 1.08321 -0.0620403 0.0227198 -0.00537564 23 ALA A C +156 O O . ALA A 23 ? 0.996092 0.810024 0.99748 -0.0513522 0.0244906 -0.0109156 23 ALA A O +157 C CB . ALA A 23 ? 1.10413 0.940388 1.13067 -0.101042 0.00965538 0.0163363 23 ALA A CB +158 N N . ALA A 24 ? 1.18531 0.958686 1.14819 -0.0589592 0.0205682 -0.00724247 24 ALA A N +159 C CA . ALA A 24 ? 1.1339 0.876944 1.06357 -0.0386978 0.0216569 -0.0158948 24 ALA A CA +160 C C . ALA A 24 ? 1.18753 0.872061 1.06374 -0.0444012 0.00968203 -0.0148559 24 ALA A C +161 O O . ALA A 24 ? 1.27695 0.942436 1.13997 -0.0637043 0.00188712 -0.00786863 24 ALA A O +162 C CB . ALA A 24 ? 1.07419 0.828962 1.00894 -0.022571 0.0315739 -0.0198609 24 ALA A CB +163 N N . SER A 25 ? 1.11458 0.768939 0.957094 -0.0261781 0.00883515 -0.0210364 25 SER A N +164 C CA . SER A 25 ? 1.08618 0.674434 0.865461 -0.0227551 -0.00065971 -0.022275 25 SER A CA +165 C C . SER A 25 ? 1.12551 0.698063 0.8772 0.0112551 0.00797115 -0.0289012 25 SER A C +166 O O . SER A 25 ? 1.1462 0.759372 0.929237 0.0262723 0.0182752 -0.031036 25 SER A O +167 C CB . SER A 25 ? 1.1477 0.704511 0.904231 -0.0439657 -0.016865 -0.0187926 25 SER A CB +168 O OG . SER A 25 ? 1.27859 0.842817 1.03806 -0.0332081 -0.0156047 -0.0226162 25 SER A OG +169 N N . GLY A 26 ? 1.17288 0.684742 0.862934 0.0238338 0.00364107 -0.0306242 26 GLY A N +170 C CA . GLY A 26 ? 1.25729 0.749237 0.912813 0.0594695 0.0120924 -0.0344963 26 GLY A CA +171 C C . GLY A 26 ? 1.25827 0.777565 0.927378 0.0836717 0.0250365 -0.0344659 26 GLY A C +172 O O . GLY A 26 ? 1.33692 0.858807 0.991403 0.115511 0.0348508 -0.0347029 26 GLY A O +173 N N . PHE A 27 ? 1.16669 0.708777 0.863837 0.0694658 0.0251478 -0.0327579 27 PHE A N +174 C CA . PHE A 27 ? 1.25019 0.809462 0.952433 0.0894854 0.033669 -0.0324104 27 PHE A CA +175 C C . PHE A 27 ? 1.27238 0.826307 0.979324 0.0697142 0.0294399 -0.0303999 27 PHE A C +176 O O . PHE A 27 ? 1.42417 0.977383 1.14428 0.0404969 0.0224847 -0.0277719 27 PHE A O +177 C CB . PHE A 27 ? 1.28462 0.914677 1.04449 0.0999482 0.0442856 -0.0319049 27 PHE A CB +178 C CG . PHE A 27 ? 1.1745 0.852999 0.991972 0.0747241 0.044059 -0.0317645 27 PHE A CG +179 C CD1 . PHE A 27 ? 1.1589 0.850117 0.99753 0.0585417 0.041416 -0.031894 27 PHE A CD1 +180 C CD2 . PHE A 27 ? 1.13673 0.845516 0.982958 0.0701575 0.0467538 -0.0312853 27 PHE A CD2 +181 C CE1 . PHE A 27 ? 1.09283 0.825738 0.979501 0.0402598 0.0425342 -0.0311457 27 PHE A CE1 +182 C CE2 . PHE A 27 ? 1.02948 0.776484 0.920504 0.0517542 0.0477314 -0.0311997 27 PHE A CE2 +183 C CZ . PHE A 27 ? 1.03676 0.795657 0.947604 0.0378686 0.0461756 -0.030934 27 PHE A CZ +184 N N . THR A 28 ? 1.24752 0.799189 0.943142 0.0864532 0.0339242 -0.0300246 28 THR A N +185 C CA . THR A 28 ? 1.26408 0.811324 0.962589 0.0701716 0.031592 -0.0275079 28 THR A CA +186 C C . THR A 28 ? 1.28985 0.902037 1.05187 0.0584752 0.0371762 -0.027121 28 THR A C +187 O O . THR A 28 ? 1.22451 0.870994 1.00825 0.0741648 0.0431478 -0.0283964 28 THR A O +188 C CB . THR A 28 ? 1.31186 0.83168 0.972951 0.0934783 0.0339361 -0.0272151 28 THR A CB +189 O OG1 . THR A 28 ? 1.35004 0.80892 0.948932 0.110892 0.0304107 -0.0281902 28 THR A OG1 +190 C CG2 . THR A 28 ? 1.21105 0.711733 0.861693 0.0761531 0.0307407 -0.0237562 28 THR A CG2 +191 N N . PHE A 29 ? 1.4635 1.09015 1.25178 0.0312324 0.0343232 -0.0243413 29 PHE A N +192 C CA . PHE A 29 ? 1.30781 0.990002 1.15061 0.0220901 0.0399974 -0.0240965 29 PHE A CA +193 C C . PHE A 29 ? 1.20122 0.90189 1.05503 0.0289172 0.0453466 -0.0243655 29 PHE A C +194 O O . PHE A 29 ? 1.13724 0.876743 1.02282 0.0358191 0.0496694 -0.0272135 29 PHE A O +195 C CB . PHE A 29 ? 1.23921 0.925647 1.09763 -0.00568776 0.036131 -0.018051 29 PHE A CB +196 C CG . PHE A 29 ? 1.08928 0.826655 0.997434 -0.0135916 0.0426767 -0.0165497 29 PHE A CG +197 C CD1 . PHE A 29 ? 1.10208 0.869964 1.03902 -0.00864313 0.0452025 -0.0203901 29 PHE A CD1 +198 C CD2 . PHE A 29 ? 1.12871 0.879654 1.05043 -0.0253308 0.0467898 -0.010112 29 PHE A CD2 +199 C CE1 . PHE A 29 ? 1.21011 1.0163 1.18496 -0.0145276 0.0508127 -0.0189618 29 PHE A CE1 +200 C CE2 . PHE A 29 ? 1.11638 0.908206 1.07623 -0.0284607 0.0539308 -0.00833219 29 PHE A CE2 +201 C CZ . PHE A 29 ? 1.10596 0.922781 1.09044 -0.0226987 0.0554351 -0.0133419 29 PHE A CZ +202 N N . SER A 30 ? 1.18645 0.855499 1.01031 0.0261356 0.0438173 -0.0210712 30 SER A N +203 C CA . SER A 30 ? 1.22036 0.900489 1.04835 0.031193 0.0482194 -0.0205623 30 SER A CA +204 C C . SER A 30 ? 1.1989 0.887399 1.02077 0.0571661 0.0491486 -0.0250681 30 SER A C +205 O O . SER A 30 ? 1.20551 0.907695 1.03338 0.0625573 0.0510327 -0.0255099 30 SER A O +206 C CB . SER A 30 ? 1.2984 0.939934 1.09322 0.0205955 0.0463262 -0.0143355 30 SER A CB +207 O OG . SER A 30 ? 1.40927 1.00076 1.155 0.031716 0.0407245 -0.0151529 30 SER A OG +208 N N . SER A 31 ? 1.28371 0.964745 1.09218 0.0741231 0.0476868 -0.0270159 31 SER A N +209 C CA . SER A 31 ? 1.29533 0.993154 1.10263 0.100045 0.0488734 -0.0278055 31 SER A CA +210 C C . SER A 31 ? 1.20686 0.960717 1.06186 0.101297 0.0503707 -0.0289461 31 SER A C +211 O O . SER A 31 ? 1.11138 0.890126 0.97431 0.118737 0.0499043 -0.0271284 31 SER A O +212 C CB . SER A 31 ? 1.28283 0.949063 1.05153 0.122018 0.0488054 -0.0268297 31 SER A CB +213 O OG . SER A 31 ? 1.36998 0.976571 1.08598 0.122889 0.0457016 -0.0256926 31 SER A OG +214 N N . TYR A 32 ? 1.15535 0.929252 1.04093 0.0831058 0.0513136 -0.0305203 32 TYR A N +215 C CA . TYR A 32 ? 1.19694 1.01603 1.12154 0.083336 0.0518206 -0.0310653 32 TYR A CA +216 C C . TYR A 32 ? 1.16651 1.00521 1.11904 0.0652861 0.0518627 -0.0333152 32 TYR A C +217 O O . TYR A 32 ? 0.980285 0.805208 0.931031 0.0509553 0.0539428 -0.0333675 32 TYR A O +218 C CB . TYR A 32 ? 1.18771 1.01228 1.11935 0.0851129 0.0538278 -0.0304138 32 TYR A CB +219 C CG . TYR A 32 ? 1.17253 0.979677 1.07459 0.108373 0.0556883 -0.0276141 32 TYR A CG +220 C CD1 . TYR A 32 ? 1.13391 0.889522 0.99192 0.110902 0.0545986 -0.0284744 32 TYR A CD1 +221 C CD2 . TYR A 32 ? 1.2369 1.07765 1.15203 0.128302 0.0582137 -0.0226681 32 TYR A CD2 +222 C CE1 . TYR A 32 ? 1.07612 0.806983 0.897714 0.135721 0.0569865 -0.0263218 32 TYR A CE1 +223 C CE2 . TYR A 32 ? 1.22075 1.04662 1.10618 0.15459 0.0624217 -0.0184935 32 TYR A CE2 +224 C CZ . TYR A 32 ? 1.1175 0.884916 0.953164 0.159736 0.0622854 -0.021271 32 TYR A CZ +225 O OH . TYR A 32 ? 1.26137 1.00909 1.06131 0.18935 0.0671532 -0.0173354 32 TYR A OH +226 N N . ALA A 33 ? 1.1883 1.05972 1.16545 0.0666819 0.0491613 -0.0337297 33 ALA A N +227 C CA . ALA A 33 ? 1.10791 0.993617 1.10613 0.0529025 0.0485628 -0.0363551 33 ALA A CA +228 C C . ALA A 33 ? 0.967943 0.863007 0.985482 0.043625 0.0515877 -0.0366031 33 ALA A C +229 O O . ALA A 33 ? 0.920204 0.823909 0.943214 0.0489282 0.05201 -0.0346574 33 ALA A O +230 C CB . ALA A 33 ? 1.11232 1.0225 1.12405 0.0549549 0.0413617 -0.0361344 33 ALA A CB +231 N N . MET A 34 ? 0.919465 0.812561 0.945185 0.0320355 0.0545495 -0.038065 34 MET A N +232 C CA . MET A 34 ? 0.877754 0.779973 0.921241 0.0240778 0.0570229 -0.0377462 34 MET A CA +233 C C . MET A 34 ? 0.963323 0.878286 1.02187 0.0189318 0.0561796 -0.039998 34 MET A C +234 O O . MET A 34 ? 1.10596 1.01459 1.15578 0.0194591 0.0551974 -0.0419212 34 MET A O +235 C CB . MET A 34 ? 0.867912 0.756515 0.906367 0.0157798 0.0611286 -0.0349954 34 MET A CB +236 C CG . MET A 34 ? 0.941689 0.807773 0.958103 0.0174498 0.0591499 -0.0327459 34 MET A CG +237 S SD . MET A 34 ? 0.850164 0.713942 0.861415 0.0262615 0.0565983 -0.0333192 34 MET A SD +238 C CE . MET A 34 ? 0.915652 0.789412 0.947567 0.011922 0.0571969 -0.0317722 34 MET A CE +239 N N . SER A 35 ? 1.05841 0.986148 1.13431 0.0146328 0.0561488 -0.0397114 35 SER A N +240 C CA . SER A 35 ? 0.988841 0.920686 1.07341 0.00918162 0.0549322 -0.0416551 35 SER A CA +241 C C . SER A 35 ? 1.00171 0.935225 1.09694 0.00486526 0.0601408 -0.0404377 35 SER A C +242 O O . SER A 35 ? 0.928099 0.864877 1.02866 0.00407088 0.0620803 -0.0379654 35 SER A O +243 C CB . SER A 35 ? 0.791453 0.737988 0.885735 0.00687248 0.0470945 -0.0410101 35 SER A CB +244 O OG . SER A 35 ? 0.804296 0.751569 0.889329 0.010428 0.0407918 -0.0410812 35 SER A OG +245 N N . TRP A 36 ? 1.03822 0.966221 1.13232 0.00330782 0.0615342 -0.0420589 36 TRP A N +246 C CA . TRP A 36 ? 0.909947 0.841216 1.01434 0.000956 0.0645657 -0.0407966 36 TRP A CA +247 C C . TRP A 36 ? 0.846628 0.776883 0.953117 -0.00374493 0.0580068 -0.0426847 36 TRP A C +248 O O . TRP A 36 ? 1.02969 0.948259 1.12334 -0.00535604 0.0522197 -0.0455431 36 TRP A O +249 C CB . TRP A 36 ? 0.952067 0.875584 1.04953 0.00572164 0.0724178 -0.0393045 36 TRP A CB +250 C CG . TRP A 36 ? 0.817223 0.748954 0.919671 0.00589014 0.0784634 -0.0334131 36 TRP A CG +251 C CD1 . TRP A 36 ? 0.825132 0.752441 0.917302 0.00805342 0.082012 -0.0311895 36 TRP A CD1 +252 C CD2 . TRP A 36 ? 0.757771 0.70266 0.875385 0.00156833 0.0801476 -0.0275464 36 TRP A CD2 +253 N NE1 . TRP A 36 ? 0.983917 0.921705 1.08526 0.00321642 0.0852948 -0.0234203 36 TRP A NE1 +254 C CE2 . TRP A 36 ? 0.891005 0.839779 1.00789 -0.00123076 0.0833357 -0.0210608 36 TRP A CE2 +255 C CE3 . TRP A 36 ? 0.779466 0.732183 0.909612 -0.00131474 0.0781192 -0.0264144 36 TRP A CE3 +256 C CZ2 . TRP A 36 ? 0.919061 0.879898 1.04806 -0.00912361 0.0824987 -0.0129718 36 TRP A CZ2 +257 C CZ3 . TRP A 36 ? 0.884786 0.848365 1.02542 -0.00652255 0.0779588 -0.019603 36 TRP A CZ3 +258 C CH2 . TRP A 36 ? 0.891828 0.859671 1.0322 -0.0115164 0.0790753 -0.0127679 36 TRP A CH2 +259 N N . VAL A 37 ? 0.76846 0.709076 0.888867 -0.00733508 0.0577867 -0.0402428 37 VAL A N +260 C CA . VAL A 37 ? 0.804569 0.74538 0.928747 -0.014545 0.0519675 -0.0395154 37 VAL A CA +261 C C . VAL A 37 ? 0.830214 0.765322 0.957038 -0.013937 0.0567818 -0.0385136 37 VAL A C +262 O O . VAL A 37 ? 0.715797 0.660547 0.851893 -0.0105893 0.0619609 -0.0361923 37 VAL A O +263 C CB . VAL A 37 ? 0.90917 0.872856 1.0486 -0.0178959 0.0482264 -0.03472 37 VAL A CB +264 C CG1 . VAL A 37 ? 0.909757 0.878404 1.05661 -0.0286372 0.0421455 -0.0307113 37 VAL A CG1 +265 C CG2 . VAL A 37 ? 1.02123 0.99378 1.15831 -0.0147778 0.044157 -0.0342571 37 VAL A CG2 +266 N N . ARG A 38 ? 0.842657 0.758853 0.957715 -0.0170886 0.0538184 -0.039938 38 ARG A N +267 C CA . ARG A 38 ? 0.843626 0.752325 0.958274 -0.0140421 0.0585305 -0.0384309 38 ARG A CA +268 C C . ARG A 38 ? 0.871266 0.77616 0.987987 -0.0245326 0.0524009 -0.0358767 38 ARG A C +269 O O . ARG A 38 ? 0.844573 0.747348 0.958675 -0.0354313 0.0433466 -0.0351227 38 ARG A O +270 C CB . ARG A 38 ? 0.8821 0.766856 0.97535 -0.00358733 0.063609 -0.0407848 38 ARG A CB +271 C CG . ARG A 38 ? 0.967302 0.817572 1.03146 -0.00683272 0.0561581 -0.0449831 38 ARG A CG +272 C CD . ARG A 38 ? 1.00704 0.83023 1.04414 0.00966079 0.0642347 -0.0465874 38 ARG A CD +273 N NE . ARG A 38 ? 1.1273 0.907253 1.12573 0.00793057 0.0558353 -0.0519378 38 ARG A NE +274 C CZ . ARG A 38 ? 1.14788 0.896301 1.11188 0.0241647 0.0616985 -0.0545837 38 ARG A CZ +275 N NH1 . ARG A 38 ? 1.0469 0.809034 1.01617 0.0435182 0.0773721 -0.0502425 38 ARG A NH1 +276 N NH2 . ARG A 38 ? 1.33605 1.03991 1.25929 0.0212397 0.0515664 -0.0602612 38 ARG A NH2 +277 N N . GLN A 39 ? 1.02562 0.931131 1.14751 -0.0222088 0.0567082 -0.0330537 39 GLN A N +278 C CA . GLN A 39 ? 0.977136 0.877679 1.09981 -0.032102 0.0523255 -0.0291866 39 GLN A CA +279 C C . GLN A 39 ? 1.01263 0.892948 1.12306 -0.0245751 0.0568458 -0.0290359 39 GLN A C +280 O O . GLN A 39 ? 1.02014 0.914521 1.14192 -0.0163374 0.063322 -0.0268689 39 GLN A O +281 C CB . GLN A 39 ? 0.980075 0.910582 1.12552 -0.0351912 0.05423 -0.023488 39 GLN A CB +282 C CG . GLN A 39 ? 1.01576 0.947154 1.16511 -0.0460375 0.0512365 -0.0167534 39 GLN A CG +283 C CD . GLN A 39 ? 1.13883 1.10178 1.30809 -0.0466353 0.0545664 -0.00948069 39 GLN A CD +284 O OE1 . GLN A 39 ? 1.06617 1.03958 1.24008 -0.0358366 0.0608151 -0.0103557 39 GLN A OE1 +285 N NE2 . GLN A 39 ? 1.10828 1.08585 1.28719 -0.0590829 0.0500976 -0.00097626 39 GLN A NE2 +286 N N . ALA A 40 ? 1.01927 0.864167 1.10335 -0.0269946 0.0523053 -0.0308988 40 ALA A N +287 C CA . ALA A 40 ? 1.1396 0.960294 1.20656 -0.0173079 0.0566457 -0.0300856 40 ALA A CA +288 C C . ALA A 40 ? 1.27896 1.11144 1.36029 -0.0237675 0.0569312 -0.0240717 40 ALA A C +289 O O . ALA A 40 ? 1.25865 1.10531 1.35315 -0.0390294 0.0516805 -0.0201422 40 ALA A O +290 C CB . ALA A 40 ? 1.13688 0.908117 1.16403 -0.0187632 0.0502729 -0.0336405 40 ALA A CB +291 N N . PRO A 41 ? 1.4604 1.29198 1.54144 -0.0114676 0.0635464 -0.021596 41 PRO A N +292 C CA . PRO A 41 ? 1.40325 1.24517 1.49564 -0.0162583 0.064099 -0.0158454 41 PRO A CA +293 C C . PRO A 41 ? 1.14297 0.963944 1.22346 -0.0332695 0.0570393 -0.0121559 41 PRO A C +294 O O . PRO A 41 ? 0.885535 0.666441 0.936379 -0.0351286 0.052605 -0.0137389 41 PRO A O +295 C CB . PRO A 41 ? 1.4591 1.29377 1.54404 0.00141774 0.0703055 -0.0141637 41 PRO A CB +296 C CG . PRO A 41 ? 1.49465 1.34202 1.58408 0.0145632 0.0751771 -0.0166342 41 PRO A CG +297 C CD . PRO A 41 ? 1.53433 1.36054 1.60643 0.008886 0.0713066 -0.0223089 41 PRO A CD +298 N N . GLY A 42 ? 1.1204 0.968182 1.22216 -0.0456276 0.055872 -0.00620416 42 GLY A N +299 C CA . GLY A 42 ? 1.11428 0.955061 1.21346 -0.0652906 0.0493096 0.00128738 42 GLY A CA +300 C C . GLY A 42 ? 1.21309 1.04393 1.30507 -0.0820961 0.0381281 0.00090151 42 GLY A C +301 O O . GLY A 42 ? 1.42307 1.23949 1.50674 -0.101474 0.0294976 0.00785974 42 GLY A O +302 N N . LYS A 43 ? 1.29401 1.13242 1.38849 -0.0771774 0.0366842 -0.00580392 43 LYS A N +303 C CA . LYS A 43 ? 1.32396 1.15331 1.41033 -0.0931974 0.0242248 -0.00593841 43 LYS A CA +304 C C . LYS A 43 ? 1.20171 1.07768 1.31872 -0.0948783 0.0245475 -0.00332437 43 LYS A C +305 O O . LYS A 43 ? 1.2283 1.13734 1.36799 -0.0839489 0.0344798 -0.00149343 43 LYS A O +306 C CB . LYS A 43 ? 1.39469 1.18173 1.44647 -0.083299 0.0215101 -0.0166197 43 LYS A CB +307 C CG . LYS A 43 ? 1.45764 1.19297 1.47134 -0.07528 0.0224092 -0.0197154 43 LYS A CG +308 C CD . LYS A 43 ? 1.4996 1.1911 1.48305 -0.0967188 0.00832194 -0.0155217 43 LYS A CD +309 C CE . LYS A 43 ? 1.71014 1.33484 1.63864 -0.0828882 0.00709866 -0.023425 43 LYS A CE +310 N NZ . LYS A 43 ? 1.86608 1.43756 1.75687 -0.0910532 0.00049284 -0.0201541 43 LYS A NZ +311 N N . GLY A 44 ? 1.11354 0.987968 1.22656 -0.107252 0.0128595 -0.00328058 44 GLY A N +312 C CA . GLY A 44 ? 1.09317 1.01051 1.23259 -0.107762 0.0120858 0.00035663 44 GLY A CA +313 C C . GLY A 44 ? 1.04745 0.964345 1.18249 -0.0891712 0.0182342 -0.0102427 44 GLY A C +314 O O . GLY A 44 ? 1.17675 1.06527 1.29188 -0.0765791 0.0236514 -0.018892 44 GLY A O +315 N N . LEU A 45 ? 0.981546 0.931729 1.13532 -0.0871072 0.0177411 -0.00766039 45 LEU A N +316 C CA . LEU A 45 ? 0.856793 0.808263 1.00688 -0.0718608 0.0227364 -0.0157434 45 LEU A CA +317 C C . LEU A 45 ? 0.868425 0.793165 0.995193 -0.0768436 0.0120943 -0.0217658 45 LEU A C +318 O O . LEU A 45 ? 1.06233 0.986275 1.1865 -0.0936579 -0.00203555 -0.0170912 45 LEU A O +319 C CB . LEU A 45 ? 0.906034 0.899134 1.08015 -0.0663697 0.0260484 -0.0095701 45 LEU A CB +320 C CG . LEU A 45 ? 0.925039 0.942614 1.11656 -0.0588518 0.0366339 -0.00297573 45 LEU A CG +321 C CD1 . LEU A 45 ? 0.865135 0.922037 1.07535 -0.0532161 0.0384131 0.00593742 45 LEU A CD1 +322 C CD2 . LEU A 45 ? 0.895173 0.898542 1.07812 -0.0439055 0.046721 -0.0106383 45 LEU A CD2 +323 N N . GLU A 46 ? 0.883482 0.788294 0.993253 -0.0624325 0.0185506 -0.0307925 46 GLU A N +324 C CA . GLU A 46 ? 1.10053 0.976481 1.18276 -0.0621497 0.011296 -0.0372296 46 GLU A CA +325 C C . GLU A 46 ? 1.09283 0.981072 1.17856 -0.0472139 0.0196937 -0.0410983 46 GLU A C +326 O O . GLU A 46 ? 1.0894 0.979513 1.17808 -0.034186 0.0322628 -0.0430887 46 GLU A O +327 C CB . GLU A 46 ? 1.38716 1.21541 1.43421 -0.0566771 0.0128243 -0.0433566 46 GLU A CB +328 C CG . GLU A 46 ? 1.58609 1.37514 1.59464 -0.0542356 0.00548275 -0.05018 46 GLU A CG +329 C CD . GLU A 46 ? 1.61099 1.35402 1.58058 -0.0380135 0.0131655 -0.0561943 46 GLU A CD +330 O OE1 . GLU A 46 ? 1.46611 1.1781 1.4019 -0.0297434 0.0115024 -0.0617516 46 GLU A OE1 +331 O OE2 . GLU A 46 ? 1.68147 1.41865 1.65176 -0.031586 0.0212434 -0.0546088 46 GLU A OE2 +332 N N . TRP A 47 ? 1.02163 0.918333 1.10652 -0.0505338 0.0114589 -0.0408411 47 TRP A N +333 C CA . TRP A 47 ? 0.955283 0.857125 1.03743 -0.0377411 0.0177408 -0.0442225 47 TRP A CA +334 C C . TRP A 47 ? 1.01014 0.876263 1.06151 -0.0275937 0.0230919 -0.0512281 47 TRP A C +335 O O . TRP A 47 ? 1.05594 0.888428 1.07918 -0.031647 0.0153843 -0.0546744 47 TRP A O +336 C CB . TRP A 47 ? 0.921317 0.839513 1.00765 -0.043545 0.00602386 -0.0411811 47 TRP A CB +337 C CG . TRP A 47 ? 0.937982 0.857181 1.0169 -0.0310824 0.0106572 -0.0442627 47 TRP A CG +338 C CD1 . TRP A 47 ? 1.17566 1.11804 1.26956 -0.0214371 0.0183518 -0.0415766 47 TRP A CD1 +339 C CD2 . TRP A 47 ? 0.935541 0.827162 0.985247 -0.0268393 0.00716963 -0.0500124 47 TRP A CD2 +340 N NE1 . TRP A 47 ? 1.13892 1.07037 1.21656 -0.0127878 0.01999 -0.0449263 47 TRP A NE1 +341 C CE2 . TRP A 47 ? 1.1448 1.04777 1.19694 -0.0156566 0.0137023 -0.049817 47 TRP A CE2 +342 C CE3 . TRP A 47 ? 0.967745 0.821587 0.98445 -0.0303763 -0.00084633 -0.0551901 47 TRP A CE3 +343 C CZ2 . TRP A 47 ? 1.15432 1.03657 1.18099 -0.00865191 0.0132266 -0.0538438 47 TRP A CZ2 +344 C CZ3 . TRP A 47 ? 1.04554 0.877981 1.035 -0.0219892 -0.00141222 -0.0596845 47 TRP A CZ3 +345 C CH2 . TRP A 47 ? 1.06881 0.91764 1.06525 -0.0115879 0.00589054 -0.0586383 47 TRP A CH2 +346 N N . VAL A 48 ? 0.993067 0.865333 1.04746 -0.0144387 0.0361159 -0.0520047 48 VAL A N +347 C CA . VAL A 48 ? 1.01678 0.865071 1.04798 -0.00191573 0.0454764 -0.0549419 48 VAL A CA +348 C C . VAL A 48 ? 0.998903 0.841928 1.01564 0.00431953 0.0461885 -0.056758 48 VAL A C +349 O O . VAL A 48 ? 1.03137 0.844406 1.01635 0.00957502 0.0442899 -0.0605862 48 VAL A O +350 C CB . VAL A 48 ? 0.957172 0.818719 1.00323 0.00681492 0.0596833 -0.0510808 48 VAL A CB +351 C CG1 . VAL A 48 ? 0.935422 0.783954 0.963377 0.0220508 0.0718195 -0.0500395 48 VAL A CG1 +352 C CG2 . VAL A 48 ? 0.94894 0.810037 1.0034 0.0024343 0.0586138 -0.0496288 48 VAL A CG2 +353 N N . SER A 49 ? 1.00967 0.876662 1.04433 0.00516048 0.0493181 -0.0539435 49 SER A N +354 C CA . SER A 49 ? 0.970137 0.831126 0.990183 0.0113856 0.0508526 -0.0547192 49 SER A CA +355 C C . SER A 49 ? 0.936178 0.819784 0.973733 0.00987387 0.0497898 -0.0517173 49 SER A C +356 O O . SER A 49 ? 0.853156 0.755593 0.912157 0.00653319 0.0508052 -0.048851 49 SER A O +357 C CB . SER A 49 ? 0.907361 0.758659 0.914762 0.0227115 0.0648114 -0.0527443 49 SER A CB +358 O OG . SER A 49 ? 1.22471 1.09687 1.25562 0.0226735 0.0741638 -0.0470544 49 SER A OG +359 N N . ALA A 50 ? 0.984716 0.861579 1.00743 0.0142034 0.0476579 -0.0524564 50 ALA A N +360 C CA . ALA A 50 ? 1.09728 0.987401 1.1272 0.0163221 0.0467281 -0.0497344 50 ALA A CA +361 C C . ALA A 50 ? 1.14604 1.02164 1.1563 0.0231804 0.052764 -0.048953 50 ALA A C +362 O O . ALA A 50 ? 1.14277 1.0004 1.13187 0.0269811 0.0536331 -0.0511572 50 ALA A O +363 C CB . ALA A 50 ? 1.11431 1.01746 1.14933 0.0140493 0.0338993 -0.0492249 50 ALA A CB +364 N N . ILE A 51 ? 1.19012 1.06968 1.20325 0.024876 0.0565306 -0.0453823 51 ILE A N +365 C CA . ILE A 51 ? 1.1465 1.01142 1.1409 0.0289496 0.0619678 -0.0427493 51 ILE A CA +366 C C . ILE A 51 ? 1.01636 0.878898 1.00333 0.0334825 0.0571389 -0.0415795 51 ILE A C +367 O O . ILE A 51 ? 1.01542 0.88741 1.01321 0.0337224 0.0547466 -0.0406973 51 ILE A O +368 C CB . ILE A 51 ? 1.05159 0.916957 1.05141 0.0245941 0.0732282 -0.0368326 51 ILE A CB +369 C CG1 . ILE A 51 ? 1.05121 0.90272 1.03188 0.0263879 0.0793493 -0.0316282 51 ILE A CG1 +370 C CG2 . ILE A 51 ? 1.05647 0.932189 1.07382 0.017692 0.0725741 -0.0340543 51 ILE A CG2 +371 C CD1 . ILE A 51 ? 1.1387 0.99803 1.12777 0.0210072 0.0906752 -0.0221981 51 ILE A CD1 +372 N N . SER A 52 ? 1.04491 0.892415 1.00935 0.039725 0.0560259 -0.0413339 52 SER A N +373 C CA . SER A 52 ? 1.11055 0.951956 1.06227 0.0478021 0.0516206 -0.0398963 52 SER A CA +374 C C . SER A 52 ? 1.1986 1.02481 1.14225 0.0446093 0.0573717 -0.0356731 52 SER A C +375 O O . SER A 52 ? 1.19345 1.01769 1.14305 0.0344839 0.0639598 -0.0325335 52 SER A O +376 C CB . SER A 52 ? 1.1665 0.993828 1.09397 0.0556346 0.0481383 -0.0404771 52 SER A CB +377 O OG . SER A 52 ? 1.09782 0.905934 1.00853 0.0529171 0.0569301 -0.0381551 52 SER A OG +378 N N . GLY A 53 A 1.28505 1.09944 1.21274 0.0535999 0.0540487 -0.0344821 52 GLY A N +379 C CA . GLY A 53 A 1.31268 1.10179 1.2225 0.0501246 0.056224 -0.0308961 52 GLY A CA +380 C C . GLY A 53 A 1.18674 0.954283 1.08009 0.0397304 0.0609883 -0.0258589 52 GLY A C +381 O O . GLY A 53 A 1.136 0.888747 1.02355 0.0274681 0.0620563 -0.0208443 52 GLY A O +382 N N . SER A 54 ? 0.9994 0.765635 0.884238 0.0439927 0.0630152 -0.0259789 53 SER A N +383 C CA . SER A 54 ? 0.956229 0.704536 0.82366 0.0372327 0.0691313 -0.0195103 53 SER A CA +384 C C . SER A 54 ? 1.07104 0.839651 0.959322 0.0284278 0.0778561 -0.0159792 53 SER A C +385 O O . SER A 54 ? 1.13904 0.901757 1.021 0.0202764 0.0852801 -0.00697892 53 SER A O +386 C CB . SER A 54 ? 0.995634 0.728845 0.837357 0.0501572 0.067235 -0.0211125 53 SER A CB +387 O OG . SER A 54 ? 0.945701 0.696938 0.797165 0.0568823 0.0657567 -0.0264642 53 SER A OG +388 N N . GLY A 55 ? 1.17226 0.96384 1.08255 0.0315659 0.0773313 -0.0218134 54 GLY A N +389 C CA . GLY A 55 ? 1.12215 0.929202 1.04658 0.0287593 0.0861745 -0.0191504 54 GLY A CA +390 C C . GLY A 55 ? 1.09909 0.897333 1.00443 0.039655 0.0886474 -0.0222318 54 GLY A C +391 O O . GLY A 55 ? 1.18158 0.986456 1.09011 0.042435 0.0965465 -0.0209468 54 GLY A O +392 N N . GLY A 56 ? 1.11712 0.898573 0.999604 0.0476035 0.0813867 -0.0261873 55 GLY A N +393 C CA . GLY A 56 ? 1.2756 1.04217 1.13238 0.0574238 0.0821101 -0.028378 55 GLY A CA +394 C C . GLY A 56 ? 1.15831 0.928457 1.01605 0.0618391 0.074001 -0.0371592 55 GLY A C +395 O O . GLY A 56 ? 1.16166 0.917043 0.997396 0.068655 0.0765312 -0.0390013 55 GLY A O +396 N N . SER A 57 ? 1.11076 0.897743 0.990875 0.0574626 0.0639627 -0.0416989 56 SER A N +397 C CA . SER A 57 ? 1.17032 0.96096 1.05346 0.0566606 0.0536504 -0.0483597 56 SER A CA +398 C C . SER A 57 ? 1.08715 0.893603 0.996667 0.0493516 0.0577111 -0.0486548 56 SER A C +399 O O . SER A 57 ? 1.02579 0.849789 0.959177 0.0441166 0.0583432 -0.0463889 56 SER A O +400 C CB . SER A 57 ? 1.18244 0.98356 1.06994 0.057314 0.0374373 -0.050595 56 SER A CB +401 O OG . SER A 57 ? 1.17358 0.961782 1.03769 0.0659022 0.0341504 -0.0491224 56 SER A OG +402 N N . THR A 58 ? 1.02609 0.821974 0.926221 0.0509121 0.0609221 -0.0512353 57 THR A N +403 C CA . THR A 58 ? 0.924354 0.730998 0.844421 0.0457695 0.0628409 -0.052128 57 THR A CA +404 C C . THR A 58 ? 0.953763 0.745209 0.859674 0.043437 0.0498066 -0.0590006 57 THR A C +405 O O . THR A 58 ? 1.1629 0.927424 1.03512 0.0491725 0.0455346 -0.0624779 57 THR A O +406 C CB . THR A 58 ? 1.01038 0.818021 0.931771 0.050869 0.0805387 -0.0462216 57 THR A CB +407 O OG1 . THR A 58 ? 1.01203 0.794854 0.901306 0.0625061 0.0865978 -0.0475622 57 THR A OG1 +408 C CG2 . THR A 58 ? 0.992083 0.813141 0.92527 0.0483744 0.0902829 -0.0372566 57 THR A CG2 +409 N N . TYR A 59 ? 0.944835 0.750821 0.873665 0.0341002 0.0430774 -0.0601512 58 TYR A N +410 C CA . TYR A 59 ? 0.935761 0.727662 0.854472 0.0267594 0.0293793 -0.0648094 58 TYR A CA +411 C C . TYR A 59 ? 0.98329 0.774663 0.912108 0.025267 0.0366215 -0.0646698 58 TYR A C +412 O O . TYR A 59 ? 1.00518 0.82059 0.962188 0.0250023 0.0465718 -0.0604651 58 TYR A O +413 C CB . TYR A 59 ? 0.898399 0.712666 0.836364 0.015204 0.0119559 -0.0634355 58 TYR A CB +414 C CG . TYR A 59 ? 0.943576 0.761936 0.872978 0.0201123 0.00603442 -0.0621345 58 TYR A CG +415 C CD1 . TYR A 59 ? 1.05225 0.845975 0.949286 0.0203377 -0.00672443 -0.0654226 58 TYR A CD1 +416 C CD2 . TYR A 59 ? 0.905157 0.745116 0.85182 0.0260984 0.0132908 -0.0578029 58 TYR A CD2 +417 C CE1 . TYR A 59 ? 1.05206 0.847375 0.93818 0.026761 -0.0116408 -0.06396 58 TYR A CE1 +418 C CE2 . TYR A 59 ? 0.964569 0.80318 0.898233 0.0332133 0.00893228 -0.0564177 58 TYR A CE2 +419 C CZ . TYR A 59 ? 1.04818 0.867068 0.953712 0.0337945 -0.00325239 -0.0592234 58 TYR A CZ +420 O OH . TYR A 59 ? 1.29101 1.10851 1.18259 0.0417499 -0.00824817 -0.0574246 58 TYR A OH +421 N N . TYR A 60 ? 1.09148 0.851624 0.993513 0.0242481 0.0302293 -0.0691462 59 TYR A N +422 C CA . TYR A 60 ? 1.02001 0.772367 0.92376 0.0255348 0.0366767 -0.0691437 59 TYR A CA +423 C C . TYR A 60 ? 1.11998 0.850201 1.00992 0.0117232 0.0186294 -0.0728184 59 TYR A C +424 O O . TYR A 60 ? 1.23198 0.939777 1.09683 0.00395939 0.00176269 -0.0761442 59 TYR A O +425 C CB . TYR A 60 ? 1.08431 0.810974 0.958159 0.0449442 0.0531633 -0.0689759 59 TYR A CB +426 C CG . TYR A 60 ? 1.11413 0.86629 1.00433 0.0555845 0.0713303 -0.0619211 59 TYR A CG +427 C CD1 . TYR A 60 ? 1.00915 0.756029 0.883697 0.0608704 0.073197 -0.0613101 59 TYR A CD1 +428 C CD2 . TYR A 60 ? 1.16678 0.948918 1.08857 0.0577309 0.0846932 -0.0546369 59 TYR A CD2 +429 C CE1 . TYR A 60 ? 1.035 0.804604 0.924864 0.0664043 0.0880586 -0.0531694 59 TYR A CE1 +430 C CE2 . TYR A 60 ? 1.18274 0.988711 1.12015 0.0625294 0.0983496 -0.0460599 59 TYR A CE2 +431 C CZ . TYR A 60 ? 1.16284 0.961766 1.08388 0.066302 0.100376 -0.0450144 59 TYR A CZ +432 O OH . TYR A 60 ? 1.26627 1.08568 1.19992 0.0683211 0.112831 -0.0350897 59 TYR A OH +433 N N . ALA A 61 ? 1.32654 1.06254 1.23223 0.00704869 0.0210097 -0.0711645 60 ALA A N +434 C CA . ALA A 61 ? 1.37281 1.0841 1.26362 -0.0072947 0.00537394 -0.0730532 60 ALA A CA +435 C C . ALA A 61 ? 1.34378 0.995061 1.17774 0.00373204 0.00539635 -0.0790127 60 ALA A C +436 O O . ALA A 61 ? 1.22968 0.870304 1.04745 0.0258534 0.0235774 -0.0793873 60 ALA A O +437 C CB . ALA A 61 ? 1.42667 1.16079 1.34916 -0.0130186 0.0103783 -0.0688197 60 ALA A CB +438 N N . ASP A 62 ? 1.36096 0.973507 1.1639 -0.0117819 -0.0150403 -0.0821247 61 ASP A N +439 C CA . ASP A 62 ? 1.42212 0.964955 1.15891 -0.00171306 -0.0185622 -0.0887757 61 ASP A CA +440 C C . ASP A 62 ? 1.34394 0.87317 1.07025 0.0213699 0.0032121 -0.0882798 61 ASP A C +441 O O . ASP A 62 ? 1.21967 0.717647 0.906892 0.0463138 0.0166166 -0.0906926 61 ASP A O +442 C CB . ASP A 62 ? 1.47392 0.977021 1.18025 -0.0276176 -0.0477069 -0.0908573 61 ASP A CB +443 C CG . ASP A 62 ? 1.44255 0.943267 1.13801 -0.0425669 -0.0692208 -0.0917567 61 ASP A CG +444 O OD1 . ASP A 62 ? 1.44063 0.942513 1.12514 -0.0262546 -0.0610798 -0.0944863 61 ASP A OD1 +445 O OD2 . ASP A 62 ? 1.44632 0.947259 1.14623 -0.0711677 -0.0943479 -0.0881417 61 ASP A OD2 +446 N N . SER A 63 ? 1.34899 0.905323 1.1111 0.0148503 0.00760611 -0.0837257 62 SER A N +447 C CA . SER A 63 ? 1.29465 0.839732 1.04869 0.0343866 0.0247741 -0.081899 62 SER A CA +448 C C . SER A 63 ? 1.33341 0.912448 1.10729 0.0605218 0.0505655 -0.0769359 62 SER A C +449 O O . SER A 63 ? 1.29512 0.858241 1.04916 0.0841225 0.0663039 -0.0744808 62 SER A O +450 C CB . SER A 63 ? 1.3006 0.870552 1.09098 0.0186288 0.0212063 -0.0774963 62 SER A CB +451 O OG . SER A 63 ? 1.35168 0.983196 1.20069 0.00261957 0.0190593 -0.0727408 62 SER A OG +452 N N . VAL A 64 ? 1.35761 0.98355 1.16939 0.0567585 0.0548715 -0.0738366 63 VAL A N +453 C CA . VAL A 64 ? 1.42601 1.08958 1.26305 0.0748226 0.0767985 -0.0664242 63 VAL A CA +454 C C . VAL A 64 ? 1.3059 0.958368 1.11744 0.0893986 0.0847007 -0.0664879 63 VAL A C +455 O O . VAL A 64 ? 1.15862 0.844168 0.991237 0.101891 0.102298 -0.0582191 63 VAL A O +456 C CB . VAL A 64 ? 1.46123 1.18477 1.35883 0.0613386 0.0786822 -0.0606616 63 VAL A CB +457 C CG1 . VAL A 64 ? 1.56679 1.30271 1.48857 0.0498329 0.0734802 -0.0594306 63 VAL A CG1 +458 C CG2 . VAL A 64 ? 1.46697 1.20703 1.37948 0.0456198 0.0671244 -0.0629989 63 VAL A CG2 +459 N N . LYS A 65 ? 1.25875 0.865321 1.02475 0.0867603 0.0712085 -0.0744204 64 LYS A N +460 C CA . LYS A 65 ? 1.28075 0.874658 1.01984 0.0998709 0.0774062 -0.0747958 64 LYS A CA +461 C C . LYS A 65 ? 1.29127 0.87023 1.00131 0.132057 0.101223 -0.0691817 64 LYS A C +462 O O . LYS A 65 ? 1.50461 1.04783 1.18139 0.146258 0.104942 -0.0705786 64 LYS A O +463 C CB . LYS A 65 ? 1.37743 0.919259 1.06679 0.0912996 0.0561213 -0.0843974 64 LYS A CB +464 C CG . LYS A 65 ? 1.50822 1.07592 1.22543 0.0668544 0.0372708 -0.0860426 64 LYS A CG +465 C CD . LYS A 65 ? 1.6386 1.15718 1.31052 0.0528887 0.010925 -0.0938095 64 LYS A CD +466 C CE . LYS A 65 ? 1.61362 1.15563 1.30316 0.0372978 -0.00462746 -0.0936407 64 LYS A CE +467 N NZ . LYS A 65 ? 1.8681 1.35266 1.49819 0.0324874 -0.0256977 -0.100421 64 LYS A NZ +468 N N . GLY A 66 ? 1.24933 0.856653 0.971439 0.144562 0.118168 -0.0611719 65 GLY A N +469 C CA . GLY A 66 ? 1.3537 0.952738 1.04875 0.176979 0.14254 -0.0527052 65 GLY A CA +470 C C . GLY A 66 ? 1.39876 1.04688 1.13663 0.187214 0.161373 -0.0391537 65 GLY A C +471 O O . GLY A 66 ? 1.37224 1.03563 1.10491 0.212751 0.184274 -0.0267829 65 GLY A O +472 N N . ARG A 67 ? 1.41573 1.09174 1.19677 0.167528 0.151774 -0.0398322 66 ARG A N +473 C CA . ARG A 67 ? 1.38723 1.10829 1.2084 0.174441 0.16545 -0.0274884 66 ARG A CA +474 C C . ARG A 67 ? 1.30721 1.08958 1.19222 0.151903 0.163289 -0.0200981 66 ARG A C +475 O O . ARG A 67 ? 1.10808 0.936146 1.02716 0.157621 0.176941 -0.00552048 66 ARG A O +476 C CB . ARG A 67 ? 1.41694 1.11079 1.22584 0.173464 0.156572 -0.0339398 66 ARG A CB +477 C CG . ARG A 67 ? 1.50448 1.12786 1.24165 0.195987 0.157477 -0.0410946 66 ARG A CG +478 C CD . ARG A 67 ? 1.5541 1.15178 1.27872 0.197789 0.151915 -0.0442859 66 ARG A CD +479 N NE . ARG A 67 ? 1.47569 1.07579 1.22536 0.163765 0.129317 -0.0524118 66 ARG A NE +480 C CZ . ARG A 67 ? 1.37108 1.00907 1.16634 0.152242 0.128053 -0.0479484 66 ARG A CZ +481 N NH1 . ARG A 67 ? 1.33021 1.00506 1.15069 0.170176 0.145388 -0.0360393 66 ARG A NH1 +482 N NH2 . ARG A 67 ? 1.30195 0.944103 1.11846 0.122877 0.109309 -0.0540113 66 ARG A NH2 +483 N N . PHE A 68 ? 1.41764 1.2001 1.31727 0.126336 0.145037 -0.0292105 67 PHE A N +484 C CA . PHE A 68 ? 1.27813 1.10605 1.22794 0.105759 0.140505 -0.0244826 67 PHE A CA +485 C C . PHE A 68 ? 1.17358 1.00953 1.12526 0.0988004 0.140057 -0.0231176 67 PHE A C +486 O O . PHE A 68 ? 1.28043 1.08435 1.19894 0.101411 0.134517 -0.0309115 67 PHE A O +487 C CB . PHE A 68 ? 1.23879 1.06135 1.20169 0.0861657 0.122376 -0.0339912 67 PHE A CB +488 C CG . PHE A 68 ? 1.12961 0.954009 1.10197 0.0878526 0.122257 -0.0330376 67 PHE A CG +489 C CD1 . PHE A 68 ? 1.19116 1.00478 1.14525 0.109744 0.134996 -0.0279154 67 PHE A CD1 +490 C CD2 . PHE A 68 ? 1.13051 0.966557 1.12764 0.0695755 0.110113 -0.0364919 67 PHE A CD2 +491 C CE1 . PHE A 68 ? 1.26054 1.07361 1.22111 0.111982 0.134225 -0.0269191 67 PHE A CE1 +492 C CE2 . PHE A 68 ? 1.05382 0.890849 1.05867 0.0707157 0.109985 -0.0350998 67 PHE A CE2 +493 C CZ . PHE A 68 ? 1.13583 0.960385 1.12222 0.0913344 0.121342 -0.0306719 67 PHE A CZ +494 N N . THR A 69 ? 1.06752 0.942514 1.05493 0.0884214 0.1438 -0.0132198 68 THR A N +495 C CA . THR A 69 ? 1.06615 0.94493 1.05289 0.0809645 0.142885 -0.0112352 68 THR A CA +496 C C . THR A 69 ? 1.10894 1.00953 1.12711 0.0599458 0.132654 -0.0103981 68 THR A C +497 O O . THR A 69 ? 1.28811 1.21853 1.33495 0.053269 0.136471 -2.976e-05 68 THR A O +498 C CB . THR A 69 ? 1.07852 0.977132 1.06637 0.0926072 0.161619 0.00450619 68 THR A CB +499 O OG1 . THR A 69 ? 1.20122 1.074 1.15187 0.116483 0.172592 0.00352163 68 THR A OG1 +500 C CG2 . THR A 69 ? 1.09162 0.990579 1.07539 0.0844167 0.16128 0.00783411 68 THR A CG2 +501 N N . ILE A 70 ? 1.07395 0.958857 1.08377 0.0508506 0.119595 -0.0200241 69 ILE A N +502 C CA . ILE A 70 ? 1.12099 1.01876 1.15115 0.0354715 0.110621 -0.0198506 69 ILE A CA +503 C C . ILE A 70 ? 1.20394 1.10285 1.22895 0.0315055 0.114058 -0.0128087 69 ILE A C +504 O O . ILE A 70 ? 1.17389 1.05526 1.17489 0.0382422 0.115606 -0.0150125 69 ILE A O +505 C CB . ILE A 70 ? 1.0736 0.959831 1.10079 0.0300896 0.0958928 -0.0312068 69 ILE A CB +506 C CG1 . ILE A 70 ? 1.1031 1.00066 1.14704 0.0194297 0.0891598 -0.0301929 69 ILE A CG1 +507 C CG2 . ILE A 70 ? 1.05869 0.92285 1.05926 0.0346475 0.0896711 -0.0379548 69 ILE A CG2 +508 C CD1 . ILE A 70 ? 1.16763 1.06457 1.21588 0.0164792 0.0778846 -0.0375504 69 ILE A CD1 +509 N N . SER A 71 ? 1.16636 1.08277 1.21099 0.0194189 0.114066 -0.00376085 70 SER A N +510 C CA . SER A 71 ? 1.10362 1.01831 1.14271 0.0112901 0.115636 0.00490027 70 SER A CA +511 C C . SER A 71 ? 1.06576 0.977605 1.11191 -0.00383861 0.104489 0.00510639 70 SER A C +512 O O . SER A 71 ? 1.17626 1.09326 1.23509 -0.00677439 0.0980131 0.00028678 70 SER A O +513 C CB . SER A 71 ? 1.18047 1.1181 1.2308 0.0109445 0.128899 0.0214193 70 SER A CB +514 O OG . SER A 71 ? 1.24383 1.20869 1.32139 0.00817935 0.130881 0.0280613 70 SER A OG +515 N N . ARG A 72 ? 1.14086 1.03942 1.17352 -0.0125703 0.102165 0.0107507 71 ARG A N +516 C CA . ARG A 72 ? 1.02244 0.907501 1.05087 -0.0259065 0.0909726 0.0112518 71 ARG A CA +517 C C . ARG A 72 ? 0.993308 0.868528 1.01043 -0.0404966 0.0907512 0.0242105 71 ARG A C +518 O O . ARG A 72 ? 1.22453 1.09845 1.23209 -0.0372392 0.0990173 0.0300567 71 ARG A O +519 C CB . ARG A 72 ? 0.924723 0.785102 0.933505 -0.0176433 0.0820994 -0.00185047 71 ARG A CB +520 C CG . ARG A 72 ? 0.957549 0.796975 0.940043 -0.00854282 0.0828282 -0.00510757 71 ARG A CG +521 C CD . ARG A 72 ? 0.947059 0.776994 0.919663 0.00411519 0.0757004 -0.0165976 71 ARG A CD +522 N NE . ARG A 72 ? 0.991792 0.806307 0.95452 0.00238014 0.0680514 -0.018033 71 ARG A NE +523 C CZ . ARG A 72 ? 0.975217 0.789538 0.936007 0.0131205 0.0629972 -0.0247279 71 ARG A CZ +524 N NH1 . ARG A 72 ? 1.03543 0.86912 1.00989 0.021938 0.0626715 -0.0300541 71 ARG A NH1 +525 N NH2 . ARG A 72 ? 0.926426 0.720943 0.870053 0.0152559 0.0580369 -0.0249636 71 ARG A NH2 +526 N N . ASP A 73 ? 1.08586 0.952168 1.10187 -0.0576771 0.0805855 0.0295162 72 ASP A N +527 C CA . ASP A 73 ? 1.20349 1.052 1.20342 -0.0766942 0.0756858 0.0420817 72 ASP A CA +528 C C . ASP A 73 ? 1.18775 0.990433 1.15335 -0.0790474 0.0618685 0.0332725 72 ASP A C +529 O O . ASP A 73 ? 1.1807 0.977286 1.14735 -0.0852257 0.052327 0.0304671 72 ASP A O +530 C CB . ASP A 73 ? 1.31388 1.19251 1.34104 -0.098305 0.0739748 0.0600046 72 ASP A CB +531 C CG . ASP A 73 ? 1.39966 1.26943 1.41695 -0.123041 0.0694063 0.0783491 72 ASP A CG +532 O OD1 . ASP A 73 ? 1.45852 1.28746 1.43979 -0.124259 0.0660533 0.0756515 72 ASP A OD1 +533 O OD2 . ASP A 73 ? 1.40863 1.31429 1.45484 -0.141394 0.0691133 0.0970398 72 ASP A OD2 +534 N N . ASN A 74 ? 1.09061 0.859372 1.02256 -0.0704587 0.0614138 0.0284183 73 ASN A N +535 C CA . ASN A 74 ? 1.11373 0.839171 1.01005 -0.0642843 0.0508156 0.019016 73 ASN A CA +536 C C . ASN A 74 ? 1.26134 0.950945 1.13148 -0.0877129 0.0381493 0.0282744 73 ASN A C +537 O O . ASN A 74 ? 1.25644 0.909244 1.09697 -0.0851897 0.0278802 0.0218226 73 ASN A O +538 C CB . ASN A 74 ? 1.09387 0.795134 0.961323 -0.0445493 0.0535918 0.0113846 73 ASN A CB +539 C CG . ASN A 74 ? 1.02565 0.755399 0.913147 -0.0233163 0.0603375 0.00108541 73 ASN A CG +540 O OD1 . ASN A 74 ? 1.21425 0.972311 1.13012 -0.0208155 0.0614745 -0.0031555 73 ASN A OD1 +541 N ND2 . ASN A 74 ? 1.15065 0.871237 1.02165 -0.00906342 0.0633384 -0.00245788 73 ASN A ND2 +542 N N . SER A 75 ? 1.38331 1.08163 1.26103 -0.110277 0.0386722 0.0445275 74 SER A N +543 C CA . SER A 75 ? 1.43248 1.10031 1.28871 -0.139312 0.0240168 0.056603 74 SER A CA +544 C C . SER A 75 ? 1.45744 1.14114 1.33385 -0.152817 0.0138019 0.0584197 74 SER A C +545 O O . SER A 75 ? 1.77779 1.42059 1.62331 -0.170579 -0.00305706 0.0610574 74 SER A O +546 C CB . SER A 75 ? 1.50456 1.18871 1.37157 -0.161228 0.028071 0.076666 74 SER A CB +547 O OG . SER A 75 ? 1.54375 1.29489 1.4649 -0.162526 0.0405703 0.0868205 74 SER A OG +548 N N . LYS A 76 ? 1.30825 1.04651 1.23172 -0.144375 0.0228499 0.0571113 75 LYS A N +549 C CA . LYS A 76 ? 1.30537 1.0615 1.24926 -0.154376 0.0140616 0.0586885 75 LYS A CA +550 C C . LYS A 76 ? 1.29356 1.04072 1.23165 -0.130934 0.014467 0.0401533 75 LYS A C +551 O O . LYS A 76 ? 1.23444 0.993605 1.18638 -0.135977 0.00797214 0.0398412 75 LYS A O +552 C CB . LYS A 76 ? 1.33759 1.1607 1.33639 -0.160085 0.0241586 0.0722789 75 LYS A CB +553 C CG . LYS A 76 ? 1.58321 1.42478 1.59588 -0.192067 0.0173389 0.0964831 75 LYS A CG +554 C CD . LYS A 76 ? 1.80194 1.7157 1.87028 -0.193935 0.0287883 0.112915 75 LYS A CD +555 C CE . LYS A 76 ? 1.91328 1.85527 2.00848 -0.182937 0.0286099 0.106147 75 LYS A CE +556 N NZ . LYS A 76 ? 2.02811 1.94136 2.10596 -0.200368 0.00695871 0.10353 75 LYS A NZ +557 N N . ASN A 77 ? 1.28106 1.01148 1.20109 -0.105761 0.02208 0.0266073 76 ASN A N +558 C CA . ASN A 77 ? 1.21736 0.948419 1.13724 -0.0827001 0.024804 0.0120068 76 ASN A CA +559 C C . ASN A 77 ? 1.19578 0.976261 1.16129 -0.0799062 0.0309508 0.0114495 76 ASN A C +560 O O . ASN A 77 ? 1.19957 0.979771 1.16668 -0.0732207 0.0278164 0.00490615 76 ASN A O +561 C CB . ASN A 77 ? 1.15131 0.833638 1.02907 -0.0805242 0.0127383 0.00619473 76 ASN A CB +562 C CG . ASN A 77 ? 1.22637 0.855927 1.05283 -0.0703107 0.0100374 0.00241905 76 ASN A CG +563 O OD1 . ASN A 77 ? 1.21731 0.848998 1.04175 -0.0633936 0.0172131 0.00294274 76 ASN A OD1 +564 N ND2 . ASN A 77 ? 1.453 1.03213 1.23343 -0.0651414 0.00042617 -0.00208468 76 ASN A ND2 +565 N N . THR A 78 ? 1.12017 0.940053 1.11856 -0.0820896 0.0409571 0.0184042 77 THR A N +566 C CA . THR A 78 ? 1.03631 0.89878 1.07307 -0.0780162 0.0475752 0.0192898 77 THR A CA +567 C C . THR A 78 ? 1.05818 0.938721 1.10644 -0.0593265 0.0607408 0.0130211 77 THR A C +568 O O . THR A 78 ? 1.14976 1.02447 1.18778 -0.0565075 0.0662617 0.0151666 77 THR A O +569 C CB . THR A 78 ? 1.07567 0.967685 1.13757 -0.0974721 0.0465606 0.0365776 77 THR A CB +570 O OG1 . THR A 78 ? 1.22278 1.08979 1.26619 -0.11938 0.0307101 0.043554 77 THR A OG1 +571 C CG2 . THR A 78 ? 1.19592 1.12591 1.2919 -0.0937785 0.0499745 0.03872 77 THR A CG2 +572 N N . LEU A 79 ? 1.0172 0.916211 1.08346 -0.0479348 0.0645597 0.00592633 78 LEU A N +573 C CA . LEU A 79 ? 0.987857 0.898678 1.06111 -0.0324899 0.0737718 -0.00041604 78 LEU A CA +574 C C . LEU A 79 ? 0.935269 0.876406 1.0347 -0.0309606 0.0812254 0.00555563 78 LEU A C +575 O O . LEU A 79 ? 1.08053 1.03319 1.19447 -0.0357541 0.0775166 0.00766577 78 LEU A O +576 C CB . LEU A 79 ? 0.927764 0.829247 0.994678 -0.0214405 0.0699793 -0.0127268 78 LEU A CB +577 C CG . LEU A 79 ? 0.848489 0.760061 0.922407 -0.00987626 0.0748959 -0.0192533 78 LEU A CG +578 C CD1 . LEU A 79 ? 0.872538 0.772091 0.92895 -0.00284792 0.0764191 -0.0222636 78 LEU A CD1 +579 C CD2 . LEU A 79 ? 0.895765 0.81022 0.975228 -0.00516346 0.07053 -0.0262428 78 LEU A CD2 +580 N N . TYR A 80 ? 1.01153 0.963134 1.11333 -0.0219391 0.0919618 0.00848135 79 TYR A N +581 C CA . TYR A 80 ? 1.01595 0.994043 1.13729 -0.015982 0.101125 0.0159762 79 TYR A CA +582 C C . TYR A 80 ? 1.03117 1.00111 1.14358 0.00122599 0.106805 0.006088 79 TYR A C +583 O O . TYR A 80 ? 0.99713 0.945873 1.08957 0.00687193 0.105033 -0.00319969 79 TYR A O +584 C CB . TYR A 80 ? 1.00024 0.998791 1.129 -0.0181844 0.111167 0.0323909 79 TYR A CB +585 C CG . TYR A 80 ? 0.899181 0.904948 1.03546 -0.0398567 0.103695 0.0452243 79 TYR A CG +586 C CD1 . TYR A 80 ? 0.949937 0.979613 1.10947 -0.0523711 0.0977396 0.0556544 79 TYR A CD1 +587 C CD2 . TYR A 80 ? 0.934774 0.919896 1.05161 -0.0489213 0.100751 0.0472788 79 TYR A CD2 +588 C CE1 . TYR A 80 ? 1.02157 1.05365 1.18433 -0.075885 0.0874245 0.0681716 79 TYR A CE1 +589 C CE2 . TYR A 80 ? 0.965584 0.949533 1.08324 -0.0715294 0.0915897 0.0593798 79 TYR A CE2 +590 C CZ . TYR A 80 ? 0.973278 0.980742 1.11394 -0.0863758 0.0842038 0.0702358 79 TYR A CZ +591 O OH . TYR A 80 ? 1.03153 1.03385 1.16937 -0.112234 0.0720275 0.0830621 79 TYR A OH +592 N N . LEU A 81 ? 1.00198 0.986928 1.12669 0.00916416 0.112501 0.00917005 80 LEU A N +593 C CA . LEU A 81 ? 0.990335 0.961622 1.10042 0.0253116 0.117929 0.00186447 80 LEU A CA +594 C C . LEU A 81 ? 0.860726 0.85207 0.978069 0.0387195 0.131753 0.0138009 80 LEU A C +595 O O . LEU A 81 ? 0.794995 0.809742 0.934183 0.0368343 0.132263 0.021648 80 LEU A O +596 C CB . LEU A 81 ? 1.03812 0.996999 1.14766 0.0241938 0.109085 -0.00908602 80 LEU A CB +597 C CG . LEU A 81 ? 1.11927 1.05376 1.20612 0.0364545 0.110513 -0.0174421 80 LEU A CG +598 C CD1 . LEU A 81 ? 1.10772 1.01873 1.16954 0.0385275 0.107375 -0.0247344 80 LEU A CD1 +599 C CD2 . LEU A 81 ? 1.15852 1.08307 1.24679 0.031997 0.101553 -0.0251027 80 LEU A CD2 +600 N N . GLN A 82 ? 0.983202 0.965028 1.08001 0.0541626 0.143107 0.0157875 81 GLN A N +601 C CA . GLN A 82 ? 1.06279 1.06324 1.16163 0.0727959 0.159364 0.0286134 81 GLN A CA +602 C C . GLN A 82 ? 1.09033 1.05945 1.16083 0.0917669 0.161863 0.0185031 81 GLN A C +603 O O . GLN A 82 ? 1.3976 1.33273 1.4326 0.102891 0.16406 0.0104634 81 GLN A O +604 C CB . GLN A 82 ? 1.12218 1.13042 1.21112 0.0818047 0.173256 0.0396835 81 GLN A CB +605 C CG . GLN A 82 ? 1.0916 1.13198 1.18983 0.102149 0.192699 0.0585135 81 GLN A CG +606 C CD . GLN A 82 ? 1.07407 1.16587 1.21755 0.0896536 0.191745 0.0760067 81 GLN A CD +607 O OE1 . GLN A 82 ? 1.24143 1.35004 1.39755 0.100048 0.194787 0.0808619 81 GLN A OE1 +608 N NE2 . GLN A 82 ? 1.09442 1.20857 1.25992 0.0661625 0.185676 0.0858882 81 GLN A NE2 +609 N N . MET A 83 ? 1.09355 1.07115 1.17619 0.0953005 0.160867 0.0198083 82 MET A N +610 C CA . MET A 83 ? 1.14372 1.08733 1.19646 0.112487 0.16248 0.0115512 82 MET A CA +611 C C . MET A 83 ? 1.18032 1.13396 1.22212 0.141607 0.182274 0.024751 82 MET A C +612 O O . MET A 83 ? 1.02449 1.02223 1.09781 0.146101 0.190304 0.0407154 82 MET A O +613 C CB . MET A 83 ? 1.11898 1.06399 1.18756 0.102419 0.151695 0.00687946 82 MET A CB +614 C CG . MET A 83 ? 1.12442 1.06711 1.20689 0.0768565 0.134938 -0.00275629 82 MET A CG +615 S SD . MET A 83 ? 1.04227 0.982161 1.13712 0.0672687 0.124001 -0.00795825 82 MET A SD +616 C CE . MET A 83 ? 1.10646 1.09445 1.23679 0.0703633 0.131406 0.00944705 82 MET A CE +617 N N . ASN A 84 A 1.28443 1.19676 1.2793 0.162392 0.189729 0.0190282 82 ASN A N +618 C CA . ASN A 84 A 1.26174 1.17395 1.23452 0.196529 0.210463 0.0305878 82 ASN A CA +619 C C . ASN A 84 A 1.25577 1.10623 1.17545 0.21491 0.208135 0.0179237 82 ASN A C +620 O O . ASN A 84 A 1.21712 1.0233 1.1137 0.19908 0.190425 0.00071018 82 ASN A O +621 C CB . ASN A 84 A 1.20331 1.1168 1.15772 0.210438 0.225067 0.0380809 82 ASN A CB +622 C CG . ASN A 84 A 1.21829 1.18275 1.21785 0.188632 0.224975 0.0498505 82 ASN A CG +623 O OD1 . ASN A 84 A 1.33091 1.28086 1.31781 0.179337 0.221668 0.0447719 82 ASN A OD1 +624 N ND2 . ASN A 84 A 1.28532 1.30617 1.33458 0.179115 0.226839 0.0658209 82 ASN A ND2 +625 N N . SER A 85 B 1.32678 1.17468 1.22582 0.248819 0.226058 0.0282576 82 SER A N +626 C CA . SER A 85 B 1.39915 1.18124 1.23815 0.271288 0.22604 0.0182767 82 SER A CA +627 C C . SER A 85 B 1.40354 1.16107 1.24578 0.248659 0.205207 0.00510038 82 SER A C +628 O O . SER A 85 B 1.44778 1.13817 1.23899 0.247028 0.193216 -0.00991477 82 SER A O +629 C CB . SER A 85 B 1.42387 1.13932 1.19724 0.281304 0.224279 0.00578792 82 SER A CB +630 O OG . SER A 85 B 1.74105 1.47039 1.50011 0.308664 0.246468 0.018422 82 SER A OG +631 N N . LEU A 86 C 1.27571 1.08613 1.17522 0.230902 0.200567 0.0119855 82 LEU A N +632 C CA . LEU A 86 C 1.23728 1.03412 1.14733 0.20754 0.182157 0.00177442 82 LEU A CA +633 C C . LEU A 86 C 1.29341 1.03371 1.15432 0.226185 0.181761 -0.00378875 82 LEU A C +634 O O . LEU A 86 C 1.13689 0.872495 0.975951 0.260065 0.198564 0.0057261 82 LEU A O +635 C CB . LEU A 86 C 1.14938 1.01063 1.12122 0.194129 0.181272 0.0130571 82 LEU A CB +636 C CG . LEU A 86 C 1.09709 0.998137 1.11238 0.164667 0.17254 0.0135604 82 LEU A CG +637 C CD1 . LEU A 86 C 1.06559 1.02669 1.13388 0.155057 0.17269 0.0274075 82 LEU A CD1 +638 C CD2 . LEU A 86 C 1.19342 1.06398 1.20177 0.138338 0.153243 -0.00298805 82 LEU A CD2 +639 N N . ARG A 87 ? 1.35052 1.05178 1.19703 0.203005 0.162379 -0.017397 83 ARG A N +640 C CA . ARG A 87 ? 1.40368 1.04688 1.20441 0.212124 0.15734 -0.0232229 83 ARG A CA +641 C C . ARG A 87 ? 1.3762 1.04196 1.21461 0.189574 0.146179 -0.0230953 83 ARG A C +642 O O . ARG A 87 ? 1.25419 0.970512 1.14566 0.165831 0.140237 -0.0212943 83 ARG A O +643 C CB . ARG A 87 ? 1.49728 1.06738 1.24015 0.201364 0.14208 -0.0381402 83 ARG A CB +644 C CG . ARG A 87 ? 1.52576 1.0687 1.22781 0.219442 0.14981 -0.0403701 83 ARG A CG +645 C CD . ARG A 87 ? 1.58472 1.06795 1.24402 0.197291 0.128095 -0.0548792 83 ARG A CD +646 N NE . ARG A 87 ? 1.73072 1.18685 1.35005 0.212132 0.133218 -0.0579036 83 ARG A NE +647 C CZ . ARG A 87 ? 1.82055 1.24838 1.41966 0.19085 0.115378 -0.0678462 83 ARG A CZ +648 N NH1 . ARG A 87 ? 1.86194 1.29382 1.48391 0.153659 0.092377 -0.0738721 83 ARG A NH1 +649 N NH2 . ARG A 87 ? 1.8059 1.2052 1.36324 0.207662 0.121015 -0.0702163 83 ARG A NH2 +650 N N . ALA A 88 ? 1.37873 1.00062 1.1835 0.197781 0.143096 -0.0252189 84 ALA A N +651 C CA . ALA A 88 ? 1.28137 0.920001 1.11598 0.179298 0.133957 -0.0241755 84 ALA A CA +652 C C . ALA A 88 ? 1.27723 0.916538 1.13032 0.140516 0.115012 -0.0329846 84 ALA A C +653 O O . ALA A 88 ? 1.21728 0.900046 1.11704 0.122637 0.110702 -0.0298571 84 ALA A O +654 C CB . ALA A 88 ? 1.31504 0.898948 1.10345 0.194739 0.133603 -0.0248795 84 ALA A CB +655 N N . GLU A 89 ? 1.41446 1.00751 1.22991 0.129735 0.104198 -0.0425907 85 GLU A N +656 C CA . GLU A 89 ? 1.44722 1.03956 1.27596 0.0945475 0.0854094 -0.0489662 85 GLU A CA +657 C C . GLU A 89 ? 1.31518 0.974545 1.20328 0.0800868 0.0863519 -0.0461409 85 GLU A C +658 O O . GLU A 89 ? 1.24218 0.921197 1.15761 0.054884 0.0750351 -0.0471981 85 GLU A O +659 C CB . GLU A 89 ? 1.55511 1.08809 1.33046 0.0890047 0.0735917 -0.0578144 85 GLU A CB +660 C CG . GLU A 89 ? 1.79651 1.24889 1.50133 0.100905 0.0692771 -0.0617142 85 GLU A CG +661 C CD . GLU A 89 ? 2.00341 1.41456 1.65401 0.13881 0.0838963 -0.0626609 85 GLU A CD +662 O OE1 . GLU A 89 ? 1.89142 1.24388 1.4862 0.160835 0.087845 -0.063216 85 GLU A OE1 +663 O OE2 . GLU A 89 ? 2.30412 1.73992 1.96484 0.147718 0.0919326 -0.0624158 85 GLU A OE2 +664 N N . ASP A 90 ? 1.198 0.892316 1.10462 0.0968397 0.100386 -0.0410606 86 ASP A N +665 C CA . ASP A 90 ? 1.07676 0.824832 1.0305 0.0840617 0.100752 -0.0383141 86 ASP A CA +666 C C . ASP A 90 ? 1.11228 0.904097 1.11037 0.075916 0.101368 -0.0319425 86 ASP A C +667 O O . ASP A 90 ? 1.34311 1.17629 1.37607 0.0684991 0.10271 -0.028318 86 ASP A O +668 C CB . ASP A 90 ? 1.14001 0.90917 1.09706 0.102484 0.115018 -0.0327382 86 ASP A CB +669 C CG . ASP A 90 ? 1.27094 0.998611 1.18319 0.111579 0.1152 -0.0389599 86 ASP A CG +670 O OD1 . ASP A 90 ? 1.26848 0.976124 1.17071 0.0919047 0.100135 -0.0474597 86 ASP A OD1 +671 O OD2 . ASP A 90 ? 1.27065 0.988079 1.1583 0.138851 0.13026 -0.0340868 86 ASP A OD2 +672 N N . THR A 91 ? 1.21374 0.993243 1.20634 0.078915 0.100599 -0.0300072 87 THR A N +673 C CA . THR A 91 ? 1.1844 1.00175 1.21422 0.0726323 0.100625 -0.0239063 87 THR A CA +674 C C . THR A 91 ? 1.04867 0.872495 1.09488 0.0470147 0.088433 -0.0283521 87 THR A C +675 O O . THR A 91 ? 1.1319 0.925098 1.15868 0.0355568 0.0794917 -0.0328526 87 THR A O +676 C CB . THR A 91 ? 1.16269 0.963811 1.17863 0.0866622 0.104412 -0.0196019 87 THR A CB +677 O OG1 . THR A 91 ? 1.12786 0.931911 1.13215 0.114264 0.117908 -0.0130252 87 THR A OG1 +678 C CG2 . THR A 91 ? 0.941889 0.77571 0.990679 0.0791854 0.102165 -0.013888 87 THR A CG2 +679 N N . ALA A 92 ? 0.905769 0.769396 0.986042 0.0386438 0.0881162 -0.0255262 88 ALA A N +680 C CA . ALA A 92 ? 0.960887 0.835302 1.0564 0.0197529 0.0794928 -0.0280941 88 ALA A CA +681 C C . ALA A 92 ? 0.958434 0.869204 1.08276 0.0167562 0.0808821 -0.0240915 88 ALA A C +682 O O . ALA A 92 ? 0.919752 0.847754 1.0531 0.0249256 0.0864594 -0.0194644 88 ALA A O +683 C CB . ALA A 92 ? 1.11531 0.97589 1.19805 0.0120639 0.0737763 -0.0338699 88 ALA A CB +684 N N . VAL A 93 ? 1.01097 0.932223 1.14723 0.00491747 0.0754425 -0.0247074 89 VAL A N +685 C CA . VAL A 93 ? 0.994192 0.938322 1.14665 0.00175944 0.074854 -0.0228092 89 VAL A CA +686 C C . VAL A 93 ? 0.99281 0.937875 1.14252 -0.00079718 0.0737744 -0.0263821 89 VAL A C +687 O O . VAL A 93 ? 1.09527 1.03218 1.23869 -0.00590703 0.0698802 -0.0297919 89 VAL A O +688 C CB . VAL A 93 ? 0.908829 0.86005 1.0685 -0.00467041 0.0713968 -0.0214318 89 VAL A CB +689 C CG1 . VAL A 93 ? 0.871491 0.834533 1.03633 -0.00686879 0.069527 -0.0211221 89 VAL A CG1 +690 C CG2 . VAL A 93 ? 0.947985 0.897938 1.10892 -0.00151916 0.0722016 -0.017413 89 VAL A CG2 +691 N N . TYR A 94 ? 0.867514 0.823168 1.02181 0.00175938 0.0763834 -0.0241929 90 TYR A N +692 C CA . TYR A 94 ? 0.898501 0.852713 1.04751 0.00046113 0.0759303 -0.0269694 90 TYR A CA +693 C C . TYR A 94 ? 0.840265 0.801777 0.993507 -0.00514201 0.0718631 -0.026822 90 TYR A C +694 O O . TYR A 94 ? 0.850455 0.818552 1.0079 -0.00736787 0.0712129 -0.0227642 90 TYR A O +695 C CB . TYR A 94 ? 0.88342 0.840329 1.02961 0.007627 0.0826037 -0.0234986 90 TYR A CB +696 C CG . TYR A 94 ? 0.833677 0.772422 0.9627 0.0173966 0.0870697 -0.0258255 90 TYR A CG +697 C CD1 . TYR A 94 ? 0.821778 0.755087 0.947179 0.0259383 0.0910407 -0.0231328 90 TYR A CD1 +698 C CD2 . TYR A 94 ? 0.85468 0.776405 0.965477 0.0192787 0.0864326 -0.0308824 90 TYR A CD2 +699 C CE1 . TYR A 94 ? 0.815349 0.722573 0.915682 0.037185 0.0948655 -0.0256814 90 TYR A CE1 +700 C CE2 . TYR A 94 ? 0.894021 0.789787 0.979873 0.0287429 0.0889962 -0.0337657 90 TYR A CE2 +701 C CZ . TYR A 94 ? 0.845751 0.731854 0.924313 0.038196 0.0934391 -0.0313793 90 TYR A CZ +702 O OH . TYR A 94 ? 0.909864 0.761701 0.955046 0.0497542 0.0958376 -0.0346087 90 TYR A OH +703 N N . TYR A 95 ? 0.793196 0.751913 0.942239 -0.00691882 0.0685203 -0.0303301 91 TYR A N +704 C CA . TYR A 95 ? 0.834258 0.795349 0.980303 -0.007023 0.0660754 -0.0303489 91 TYR A CA +705 C C . TYR A 95 ? 0.763386 0.719372 0.90023 -0.00546806 0.065906 -0.0319979 91 TYR A C +706 O O . TYR A 95 ? 0.864316 0.816895 0.997434 -0.00453055 0.0661393 -0.0343657 91 TYR A O +707 C CB . TYR A 95 ? 0.857677 0.825514 1.00656 -0.00671805 0.0639708 -0.0302097 91 TYR A CB +708 C CG . TYR A 95 ? 0.87263 0.845404 1.02885 -0.008393 0.0647449 -0.027229 91 TYR A CG +709 C CD1 . TYR A 95 ? 0.845232 0.818007 0.998569 -0.005168 0.0657952 -0.024893 91 TYR A CD1 +710 C CD2 . TYR A 95 ? 0.878704 0.850751 1.03953 -0.0133982 0.0636951 -0.0265794 91 TYR A CD2 +711 C CE1 . TYR A 95 ? 0.836712 0.812536 0.994291 -0.00571867 0.0671125 -0.0217483 91 TYR A CE1 +712 C CE2 . TYR A 95 ? 0.895092 0.869601 1.06075 -0.0153773 0.0647476 -0.0229576 91 TYR A CE2 +713 C CZ . TYR A 95 ? 0.899266 0.877654 1.06466 -0.0109084 0.067142 -0.0204234 91 TYR A CZ +714 O OH . TYR A 95 ? 0.954981 0.934834 1.12277 -0.011652 0.0687851 -0.0164308 91 TYR A OH +715 N N . CYS A 96 ? 0.782599 0.733127 0.910912 -0.00511322 0.0645509 -0.0308248 92 CYS A N +716 C CA . CYS A 96 ? 0.921839 0.864192 1.03738 -0.00256106 0.0637822 -0.0320896 92 CYS A CA +717 C C . CYS A 96 ? 0.954443 0.895509 1.06165 0.00447273 0.0616401 -0.0327667 92 CYS A C +718 O O . CYS A 96 ? 1.00584 0.946118 1.11103 0.00691203 0.0614114 -0.0312901 92 CYS A O +719 C CB . CYS A 96 ? 0.906482 0.839226 1.01364 -0.0074712 0.0637425 -0.0286644 92 CYS A CB +720 S SG . CYS A 96 ? 1.09797 1.0161 1.19245 -0.0123154 0.0579255 -0.0257038 92 CYS A SG +721 N N . ALA A 97 ? 1.03494 0.977048 1.13634 0.00975984 0.0605518 -0.0340147 93 ALA A N +722 C CA . ALA A 97 ? 1.03544 0.984754 1.13291 0.0197767 0.0597889 -0.0321728 93 ALA A CA +723 C C . ALA A 97 ? 0.940834 0.877686 1.019 0.0277472 0.0586566 -0.032699 93 ALA A C +724 O O . ALA A 97 ? 1.05589 0.986825 1.13026 0.0242961 0.0575473 -0.0347169 93 ALA A O +725 C CB . ALA A 97 ? 1.09504 1.06888 1.21148 0.0182953 0.0578726 -0.0299736 93 ALA A CB +726 N N . LYS A 98 ? 0.968008 0.898797 1.0306 0.0406823 0.059694 -0.0303797 94 LYS A N +727 C CA . LYS A 98 ? 1.05755 0.975986 1.09871 0.0525284 0.0589053 -0.0298949 94 LYS A CA +728 C C . LYS A 98 ? 1.07702 1.02712 1.13332 0.062353 0.0581617 -0.025386 94 LYS A C +729 O O . LYS A 98 ? 1.03074 1.00409 1.10088 0.0680908 0.0606488 -0.0201233 94 LYS A O +730 C CB . LYS A 98 ? 1.13939 1.02695 1.14775 0.0635489 0.0602752 -0.0292186 94 LYS A CB +731 C CG . LYS A 98 ? 1.14348 1.0104 1.12042 0.0810277 0.0603466 -0.0280166 94 LYS A CG +732 C CD . LYS A 98 ? 1.16895 1.0079 1.11117 0.0983932 0.0629229 -0.026316 94 LYS A CD +733 C CE . LYS A 98 ? 1.33278 1.15866 1.24507 0.124043 0.0655324 -0.0231234 94 LYS A CE +734 N NZ . LYS A 98 ? 1.29677 1.16369 1.22642 0.145453 0.0720438 -0.0153562 94 LYS A NZ +735 N N . SER A 99 ? 1.08106 1.0328 1.13369 0.0642803 0.0543888 -0.0258976 95 SER A N +736 C CA . SER A 99 ? 1.165 1.14881 1.2324 0.071234 0.0505455 -0.0201083 95 SER A CA +737 C C . SER A 99 ? 1.29531 1.2753 1.34154 0.0933344 0.0519554 -0.0157319 95 SER A C +738 O O . SER A 99 ? 1.52108 1.46609 1.53727 0.0986303 0.0527595 -0.0197648 95 SER A O +739 C CB . SER A 99 ? 1.27584 1.26394 1.35239 0.0575803 0.0431189 -0.0233667 95 SER A CB +740 O OG . SER A 99 ? 1.74192 1.76197 1.83338 0.0603359 0.0357927 -0.0166317 95 SER A OG +741 N N . TYR A 100 ? 1.30867 1.32665 1.37128 0.106188 0.0524819 -0.0057409 96 TYR A N +742 C CA . TYR A 100 ? 1.35582 1.38462 1.40613 0.130246 0.0535153 0.00182219 96 TYR A CA +743 C C . TYR A 100 ? 1.43663 1.52533 1.52258 0.135708 0.0527428 0.0160839 96 TYR A C +744 O O . TYR A 100 ? 1.57598 1.6819 1.66733 0.148539 0.061675 0.0238851 96 TYR A O +745 C CB . TYR A 100 ? 1.62292 1.61573 1.63254 0.154628 0.0622875 0.00163394 96 TYR A CB +746 C CG . TYR A 100 ? 1.56911 1.56247 1.55879 0.178774 0.0617623 0.00722887 96 TYR A CG +747 C CD1 . TYR A 100 ? 1.55456 1.51734 1.52251 0.174429 0.0559229 0.00069913 96 TYR A CD1 +748 C CD2 . TYR A 100 ? 1.32314 1.3526 1.31844 0.206162 0.0672571 0.0206984 96 TYR A CD2 +749 C CE1 . TYR A 100 ? 1.50374 1.46718 1.45362 0.195975 0.0543863 0.00592908 96 TYR A CE1 +750 C CE2 . TYR A 100 ? 1.23366 1.2681 1.21317 0.22936 0.0661772 0.0270249 96 TYR A CE2 +751 C CZ . TYR A 100 ? 1.33574 1.33498 1.29135 0.223948 0.0590979 0.0189152 96 TYR A CZ +752 O OH . TYR A 100 ? 1.38445 1.38312 1.32043 0.246731 0.0573223 0.0244217 96 TYR A OH +753 N N . GLY A 101 ? 1.35065 1.47177 1.46075 0.124356 0.0413745 0.0208078 97 GLY A N +754 C CA . GLY A 101 ? 1.289 1.47197 1.43781 0.122745 0.0373413 0.0369996 97 GLY A CA +755 C C . GLY A 101 ? 1.10542 1.30394 1.28248 0.0970573 0.0345618 0.0378419 97 GLY A C +756 O O . GLY A 101 ? 1.11021 1.35235 1.31946 0.0825088 0.0248834 0.0492301 97 GLY A O +757 N N . ALA A 102 ? 1.08016 1.24267 1.2436 0.0916828 0.0423721 0.0272422 98 ALA A N +758 C CA . ALA A 102 ? 0.970793 1.12883 1.14938 0.0671946 0.0396058 0.022995 98 ALA A CA +759 C C . ALA A 102 ? 0.866835 0.976284 1.02047 0.0667462 0.0473315 0.00936496 98 ALA A C +760 O O . ALA A 102 ? 0.779112 0.858683 0.904797 0.080642 0.0518668 0.00365247 98 ALA A O +761 C CB . ALA A 102 ? 0.925172 1.12898 1.13434 0.0652579 0.0429326 0.0380807 98 ALA A CB +762 N N . PHE A 103 ? 0.839959 0.940863 1.00194 0.0511622 0.0483554 0.00547532 99 PHE A N +763 C CA . PHE A 103 ? 0.795659 0.8589 0.937694 0.0519026 0.0549886 -0.00407735 99 PHE A CA +764 C C . PHE A 103 ? 0.843121 0.907878 0.976527 0.0690251 0.0649699 0.00109538 99 PHE A C +765 O O . PHE A 103 ? 0.880547 0.959965 1.02819 0.0649939 0.068578 0.00579626 99 PHE A O +766 C CB . PHE A 103 ? 0.801109 0.852871 0.951893 0.0321586 0.0524536 -0.0098625 99 PHE A CB +767 C CG . PHE A 103 ? 0.814088 0.854284 0.96305 0.0190443 0.0439396 -0.0159112 99 PHE A CG +768 C CD1 . PHE A 103 ? 0.827766 0.848337 0.958026 0.0239489 0.0425047 -0.0214431 99 PHE A CD1 +769 C CD2 . PHE A 103 ? 0.91159 0.957184 1.07287 0.00267461 0.0370643 -0.0152676 99 PHE A CD2 +770 C CE1 . PHE A 103 ? 0.862192 0.87071 0.986477 0.0147334 0.0357029 -0.0262564 99 PHE A CE1 +771 C CE2 . PHE A 103 ? 0.899562 0.92788 1.05077 -0.00655298 0.029006 -0.0208985 99 PHE A CE2 +772 C CZ . PHE A 103 ? 0.92938 0.940349 1.06237 0.00045205 0.0289138 -0.0263544 99 PHE A CZ +773 N N . ASP A 104 ? 0.982786 1.02746 1.08778 0.0889606 0.0692951 0.00030675 100 ASP A N +774 C CA . ASP A 104 ? 0.929355 0.970579 1.01674 0.110813 0.0788712 0.00601101 100 ASP A CA +775 C C . ASP A 104 ? 0.828222 0.829906 0.893679 0.105658 0.0806815 -0.00188559 100 ASP A C +776 O O . ASP A 104 ? 0.97557 0.971619 1.02679 0.119391 0.0876949 0.00198266 100 ASP A O +777 C CB . ASP A 104 ? 0.982011 1.01883 1.04443 0.138265 0.0829736 0.0108851 100 ASP A CB +778 C CG . ASP A 104 ? 1.17191 1.16095 1.1976 0.141183 0.0788865 0.00133037 100 ASP A CG +779 O OD1 . ASP A 104 ? 1.27868 1.24768 1.30663 0.118983 0.0722877 -0.0078798 100 ASP A OD1 +780 O OD2 . ASP A 104 ? 1.17939 1.15105 1.17283 0.166623 0.0830221 0.00435623 100 ASP A OD2 +781 N N . TYR A 105 ? 0.815972 0.792458 0.878551 0.0866632 0.0744542 -0.0113973 101 TYR A N +782 C CA . TYR A 105 ? 0.897564 0.84377 0.944176 0.0797172 0.0740936 -0.0163734 101 TYR A CA +783 C C . TYR A 105 ? 0.833905 0.783628 0.902648 0.0566549 0.0693529 -0.0210487 101 TYR A C +784 O O . TYR A 105 ? 0.895979 0.847194 0.972422 0.0477689 0.0657043 -0.0241187 101 TYR A O +785 C CB . TYR A 105 ? 1.04832 0.946567 1.05184 0.0858977 0.0714382 -0.0210193 101 TYR A CB +786 C CG . TYR A 105 ? 1.17992 1.04699 1.15848 0.0853591 0.0703682 -0.0227342 101 TYR A CG +787 C CD1 . TYR A 105 ? 1.20395 1.05598 1.15315 0.107301 0.0760623 -0.0193066 101 TYR A CD1 +788 C CD2 . TYR A 105 ? 1.31738 1.17168 1.30095 0.0642756 0.0636289 -0.0265292 101 TYR A CD2 +789 C CE1 . TYR A 105 ? 1.32273 1.14207 1.24443 0.106598 0.0735423 -0.0212458 101 TYR A CE1 +790 C CE2 . TYR A 105 ? 1.35967 1.18763 1.32153 0.0618735 0.0600652 -0.0272581 101 TYR A CE2 +791 C CZ . TYR A 105 ? 1.38695 1.19416 1.31554 0.0823243 0.0642248 -0.0254468 101 TYR A CZ +792 O OH . TYR A 105 ? 1.29587 1.07212 1.19853 0.0787443 0.0587645 -0.0267873 101 TYR A OH +793 N N . TRP A 106 ? 0.879931 0.829129 0.955182 0.0497953 0.070143 -0.020977 102 TRP A N +794 C CA . TRP A 106 ? 0.785677 0.739158 0.880062 0.0324619 0.0671975 -0.0237814 102 TRP A CA +795 C C . TRP A 106 ? 0.794538 0.724975 0.875573 0.026549 0.0644695 -0.025725 102 TRP A C +796 O O . TRP A 106 ? 0.93051 0.847098 0.993079 0.0342748 0.0652681 -0.024329 102 TRP A O +797 C CB . TRP A 106 ? 0.742491 0.722777 0.861582 0.0286469 0.0696196 -0.0195486 102 TRP A CB +798 C CG . TRP A 106 ? 0.853293 0.86115 0.99027 0.0287496 0.0691607 -0.015077 102 TRP A CG +799 C CD1 . TRP A 106 ? 0.937947 0.966037 1.07661 0.0413353 0.0720935 -0.0079328 102 TRP A CD1 +800 C CD2 . TRP A 106 ? 0.909157 0.928164 1.06436 0.0147748 0.0643974 -0.0156434 102 TRP A CD2 +801 N NE1 . TRP A 106 ? 0.948685 1.0047 1.11009 0.0329832 0.0678014 -0.00301842 102 TRP A NE1 +802 C CE2 . TRP A 106 ? 0.859988 0.906394 1.02857 0.0158205 0.0621901 -0.00846408 102 TRP A CE2 +803 C CE3 . TRP A 106 ? 0.907693 0.914318 1.06589 0.00287868 0.061561 -0.0206358 102 TRP A CE3 +804 C CZ2 . TRP A 106 ? 0.846041 0.902579 1.02802 0.00153201 0.0544652 -0.00713166 102 TRP A CZ2 +805 C CZ3 . TRP A 106 ? 0.887871 0.899871 1.05473 -0.00737501 0.0561243 -0.0202962 102 TRP A CZ3 +806 C CH2 . TRP A 106 ? 0.963904 0.998112 1.14119 -0.00990249 0.0512892 -0.0141018 102 TRP A CH2 +807 N N . GLY A 107 ? 0.777737 0.706203 0.868266 0.0134606 0.0611726 -0.0276214 103 GLY A N +808 C CA . GLY A 107 ? 0.761877 0.676514 0.845939 0.00508561 0.0566211 -0.02689 103 GLY A CA +809 C C . GLY A 107 ? 0.871297 0.798456 0.969942 0.00351174 0.0581954 -0.0251439 103 GLY A C +810 O O . GLY A 107 ? 0.852077 0.796322 0.964724 0.00722969 0.0628876 -0.0243497 103 GLY A O +811 N N . GLN A 108 ? 1.05861 0.977805 1.15413 -0.00355118 0.0531152 -0.0233651 104 GLN A N +812 C CA . GLN A 108 ? 1.02477 0.952567 1.13053 -0.00407431 0.0539561 -0.021333 104 GLN A CA +813 C C . GLN A 108 ? 0.84064 0.788516 0.971991 -0.00798048 0.0576137 -0.0205975 104 GLN A C +814 O O . GLN A 108 ? 0.904277 0.859571 1.04418 -0.00604097 0.0608217 -0.0195981 104 GLN A O +815 C CB . GLN A 108 ? 1.15018 1.0615 1.24081 -0.00960049 0.045307 -0.0190515 104 GLN A CB +816 C CG . GLN A 108 ? 1.32039 1.2019 1.37526 -0.00209351 0.0419724 -0.0204408 104 GLN A CG +817 C CD . GLN A 108 ? 1.53088 1.41526 1.57968 0.0130374 0.0509042 -0.0202335 104 GLN A CD +818 O OE1 . GLN A 108 ? 1.45399 1.35457 1.5188 0.0139515 0.0552885 -0.0178763 104 GLN A OE1 +819 N NE2 . GLN A 108 ? 1.66002 1.52914 1.68421 0.0264182 0.054533 -0.0211232 104 GLN A NE2 +820 N N . GLY A 109 ? 0.7329 0.686145 0.872371 -0.0124136 0.0576071 -0.0204 105 GLY A N +821 C CA . GLY A 109 ? 0.854595 0.819745 1.00963 -0.0121806 0.0618914 -0.0197337 105 GLY A CA +822 C C . GLY A 109 ? 0.827278 0.801942 0.992233 -0.0148719 0.0607302 -0.0138094 105 GLY A C +823 O O . GLY A 109 ? 0.808372 0.782839 0.972193 -0.0181983 0.0553618 -0.0102716 105 GLY A O +824 N N . THR A 110 ? 0.813663 0.797353 0.987037 -0.0117509 0.0659335 -0.0117329 106 THR A N +825 C CA . THR A 110 ? 0.854701 0.855083 1.04068 -0.0103208 0.0673915 -0.00330928 106 THR A CA +826 C C . THR A 110 ? 0.944727 0.944139 1.13131 0.00110922 0.0749688 -0.00393109 106 THR A C +827 O O . THR A 110 ? 0.936701 0.923586 1.11355 0.00554629 0.0791662 -0.0095212 106 THR A O +828 C CB . THR A 110 ? 0.88156 0.89368 1.07282 -0.0149184 0.0680614 0.00298678 106 THR A CB +829 O OG1 . THR A 110 ? 0.815769 0.853229 1.02406 -0.0128991 0.0703598 0.0148017 106 THR A OG1 +830 C CG2 . THR A 110 ? 0.932652 0.9386 1.117 -0.00878693 0.0756038 -0.00115202 106 THR A CG2 +831 N N . LEU A 111 ? 0.983899 0.991876 1.17736 0.00614241 0.0753796 0.00171534 107 LEU A N +832 C CA . LEU A 111 ? 1.02028 1.01681 1.20579 0.0178412 0.0812776 0.0001708 107 LEU A CA +833 C C . LEU A 111 ? 1.04027 1.0483 1.22811 0.0312598 0.0901589 0.00713757 107 LEU A C +834 O O . LEU A 111 ? 0.914009 0.949444 1.11851 0.0341859 0.0910898 0.0183341 107 LEU A O +835 C CB . LEU A 111 ? 0.994526 0.989033 1.18072 0.0197126 0.0782923 0.00247481 107 LEU A CB +836 C CG . LEU A 111 ? 1.01565 0.993183 1.18886 0.0325875 0.0838949 0.00221636 107 LEU A CG +837 C CD1 . LEU A 111 ? 1.11718 1.06484 1.27095 0.0298333 0.0844256 -0.0068074 107 LEU A CD1 +838 C CD2 . LEU A 111 ? 1.14217 1.12 1.31706 0.0332577 0.0800949 0.00578379 107 LEU A CD2 +839 N N . VAL A 112 ? 1.09492 1.08166 1.26424 0.0397343 0.0961924 0.0015039 108 VAL A N +840 C CA . VAL A 112 ? 0.951852 0.941281 1.11387 0.0576665 0.107088 0.00726908 108 VAL A CA +841 C C . VAL A 112 ? 1.04166 1.00414 1.18147 0.0725279 0.110735 0.00527078 108 VAL A C +842 O O . VAL A 112 ? 0.942905 0.870072 1.06003 0.0681563 0.106514 -0.0046317 108 VAL A O +843 C CB . VAL A 112 ? 0.827204 0.803722 0.97482 0.0587711 0.110914 0.0022747 108 VAL A CB +844 C CG1 . VAL A 112 ? 0.846346 0.819397 0.97846 0.0813936 0.124161 0.00807221 108 VAL A CG1 +845 C CG2 . VAL A 112 ? 0.878609 0.87824 1.04482 0.0447632 0.107461 0.00527232 108 VAL A CG2 +846 N N . THR A 113 ? 1.2019 1.18223 1.34831 0.0891438 0.117595 0.016179 109 THR A N +847 C CA . THR A 113 ? 1.13239 1.08537 1.25377 0.10779 0.122369 0.0162023 109 THR A CA +848 C C . THR A 113 ? 0.95608 0.906476 1.05987 0.134725 0.136855 0.0227939 109 THR A C +849 O O . THR A 113 ? 0.840237 0.834344 0.968511 0.144544 0.144577 0.0368315 109 THR A O +850 C CB . THR A 113 ? 1.07385 1.0492 1.21374 0.110036 0.119406 0.0247936 109 THR A CB +851 O OG1 . THR A 113 ? 1.14295 1.13006 1.3026 0.0862019 0.107433 0.0214033 109 THR A OG1 +852 C CG2 . THR A 113 ? 1.02925 0.966688 1.13856 0.125245 0.121567 0.0224749 109 THR A CG2 +853 N N . VAL A 114 ? 0.959116 0.85832 1.01894 0.146415 0.140113 0.0140377 110 VAL A N +854 C CA . VAL A 114 ? 1.03546 0.922689 1.06792 0.176649 0.155217 0.019615 110 VAL A CA +855 C C . VAL A 114 ? 1.08581 0.938217 1.08421 0.200904 0.160109 0.0213018 110 VAL A C +856 O O . VAL A 114 ? 1.15055 0.944505 1.10919 0.196349 0.152375 0.00958346 110 VAL A O +857 C CB . VAL A 114 ? 1.0953 0.942149 1.09204 0.176472 0.155662 0.00899429 110 VAL A CB +858 C CG1 . VAL A 114 ? 1.12341 0.956763 1.08749 0.211078 0.173237 0.0156364 110 VAL A CG1 +859 C CG2 . VAL A 114 ? 1.14505 1.02069 1.17164 0.152321 0.149561 0.0064084 110 VAL A CG2 +860 N N . SER A 115 ? 1.10821 0.997238 1.12175 0.226187 0.172352 0.0373603 111 SER A N +861 C CA . SER A 115 ? 1.1992 1.06086 1.18295 0.252831 0.177954 0.0413525 111 SER A CA +862 C C . SER A 115 ? 1.20896 1.11659 1.20638 0.288606 0.19625 0.0619466 111 SER A C +863 O O . SER A 115 ? 1.07551 1.05317 1.12403 0.283265 0.199602 0.0763458 111 SER A O +864 C CB . SER A 115 ? 1.16303 1.02627 1.16322 0.2348 0.16485 0.0391268 111 SER A CB +865 O OG . SER A 115 ? 1.17667 1.01121 1.14612 0.260991 0.169897 0.0434836 111 SER A OG +866 N N . SER A 116 ? 1.32682 1.19314 1.27631 0.324884 0.207214 0.0644798 112 SER A N +867 C CA . SER A 116 ? 1.3598 1.26746 1.31693 0.365706 0.226413 0.0859246 112 SER A CA +868 C C . SER A 116 ? 1.28346 1.23763 1.27962 0.365764 0.221426 0.0987043 112 SER A C +869 O O . SER A 116 ? 1.30099 1.31159 1.3222 0.393239 0.234301 0.120562 112 SER A O +870 C CB . SER A 116 ? 1.3917 1.23221 1.27532 0.409104 0.241177 0.0840161 112 SER A CB +871 O OG . SER A 116 ? 1.43171 1.22173 1.27229 0.408434 0.243469 0.0712463 112 SER A OG +872 N N . ALA A 117 ? 1.2434 1.17573 1.24417 0.336171 0.203034 0.0866121 113 ALA A N +873 C CA . ALA A 117 ? 1.20547 1.17352 1.23736 0.333892 0.195908 0.0965765 113 ALA A CA +874 C C . ALA A 117 ? 1.19034 1.24865 1.29245 0.317161 0.192178 0.11303 113 ALA A C +875 O O . ALA A 117 ? 1.2845 1.36305 1.41071 0.291387 0.187608 0.109252 113 ALA A O +876 C CB . ALA A 117 ? 1.12273 1.04627 1.14238 0.303616 0.177886 0.0798204 113 ALA A CB +877 N N . SER A 118 ? 1.2469 1.3559 1.37876 0.330714 0.192364 0.131629 114 SER A N +878 C CA . SER A 118 ? 1.12063 1.31352 1.31714 0.311846 0.184671 0.149366 114 SER A CA +879 C C . SER A 118 ? 1.06057 1.25327 1.27738 0.27392 0.16185 0.140488 114 SER A C +880 O O . SER A 118 ? 1.01786 1.15602 1.204 0.267772 0.154573 0.124844 114 SER A O +881 C CB . SER A 118 ? 1.00507 1.25925 1.2253 0.345663 0.196003 0.176858 114 SER A CB +882 O OG . SER A 118 ? 0.989993 1.257 1.20103 0.373832 0.217457 0.186723 114 SER A OG +883 N N . THR A 119 ? 1.01343 1.26577 1.27968 0.247635 0.150449 0.151444 115 THR A N +884 C CA . THR A 119 ? 0.879138 1.13121 1.16132 0.212614 0.128814 0.144172 115 THR A CA +885 C C . THR A 119 ? 0.855162 1.12497 1.14505 0.222986 0.121172 0.155012 115 THR A C +886 O O . THR A 119 ? 0.852018 1.18072 1.17093 0.240088 0.124393 0.178323 115 THR A O +887 C CB . THR A 119 ? 0.864826 1.16865 1.18953 0.183005 0.118453 0.153875 115 THR A CB +888 O OG1 . THR A 119 ? 0.991022 1.26491 1.29971 0.174266 0.125103 0.139964 115 THR A OG1 +889 C CG2 . THR A 119 ? 0.880735 1.17878 1.21468 0.14871 0.0956334 0.146676 115 THR A CG2 +890 N N . LYS A 120 ? 0.866435 1.08932 1.13258 0.211297 0.110554 0.13963 116 LYS A N +891 C CA . LYS A 120 ? 0.909888 1.14092 1.17722 0.220276 0.102387 0.147786 116 LYS A CA +892 C C . LYS A 120 ? 0.8614 1.08616 1.13676 0.185792 0.0812059 0.139884 116 LYS A C +893 O O . LYS A 120 ? 0.834712 1.01298 1.08872 0.166635 0.0777051 0.120729 116 LYS A O +894 C CB . LYS A 120 ? 0.984304 1.15627 1.20393 0.248157 0.112915 0.139255 116 LYS A CB +895 C CG . LYS A 120 ? 1.07247 1.25597 1.2925 0.2629 0.106421 0.150428 116 LYS A CG +896 C CD . LYS A 120 ? 1.11206 1.23266 1.28096 0.289775 0.115375 0.143284 116 LYS A CD +897 C CE . LYS A 120 ? 1.17555 1.31273 1.34926 0.300207 0.106425 0.154918 116 LYS A CE +898 N NZ . LYS A 120 ? 1.14866 1.29757 1.34218 0.265902 0.0860423 0.151147 116 LYS A NZ +899 N N . GLY A 121 ? 0.96423 1.23645 1.26854 0.179781 0.0670092 0.156174 117 GLY A N +900 C CA . GLY A 121 ? 1.03698 1.29882 1.34126 0.151472 0.0460601 0.150147 117 GLY A CA +901 C C . GLY A 121 ? 1.1088 1.32023 1.37739 0.161534 0.0456143 0.139686 117 GLY A C +902 O O . GLY A 121 ? 1.14607 1.35404 1.40275 0.19109 0.054975 0.146729 117 GLY A O +903 N N . PRO A 122 ? 1.13779 1.30882 1.38657 0.138956 0.0357097 0.124119 118 PRO A N +904 C CA . PRO A 122 ? 1.0646 1.18742 1.27921 0.145802 0.0361897 0.115166 118 PRO A CA +905 C C . PRO A 122 ? 0.977801 1.11821 1.19538 0.151395 0.0227614 0.127246 118 PRO A C +906 O O . PRO A 122 ? 0.870296 1.05335 1.11399 0.138609 0.00660703 0.138925 118 PRO A O +907 C CB . PRO A 122 ? 0.997053 1.08112 1.19451 0.120276 0.0318013 0.0976773 118 PRO A CB +908 C CG . PRO A 122 ? 1.07031 1.18804 1.29363 0.0975294 0.0193995 0.100971 118 PRO A CG +909 C CD . PRO A 122 ? 1.1124 1.28025 1.36751 0.107565 0.0249604 0.115369 118 PRO A CD +910 N N . SER A 123 ? 1.04976 1.15331 1.2374 0.169145 0.0284828 0.124535 119 SER A N +911 C CA . SER A 123 ? 1.02915 1.13348 1.20879 0.17342 0.0160769 0.131965 119 SER A CA +912 C C . SER A 123 ? 1.05836 1.11578 1.21041 0.153374 0.0102606 0.117274 119 SER A C +913 O O . SER A 123 ? 0.939445 0.953686 1.06898 0.149692 0.0218199 0.10376 119 SER A O +914 C CB . SER A 123 ? 1.06299 1.15358 1.22334 0.206503 0.0262507 0.139302 119 SER A CB +915 O OG . SER A 123 ? 1.07432 1.21389 1.26043 0.229219 0.0328133 0.155588 119 SER A OG +916 N N . VAL A 124 ? 1.08464 1.15186 1.23752 0.140933 -0.0080846 0.121536 120 VAL A N +917 C CA . VAL A 124 ? 1.10659 1.13017 1.22918 0.126869 -0.0126406 0.110074 120 VAL A CA +918 C C . VAL A 124 ? 1.04248 1.04788 1.14129 0.141029 -0.0174813 0.116002 120 VAL A C +919 O O . VAL A 124 ? 1.18225 1.21794 1.29187 0.146246 -0.0324437 0.129108 120 VAL A O +920 C CB . VAL A 124 ? 1.18755 1.22121 1.31663 0.100864 -0.0296534 0.107286 120 VAL A CB +921 C CG1 . VAL A 124 ? 1.29048 1.27785 1.38333 0.0915061 -0.0321383 0.0966172 120 VAL A CG1 +922 C CG2 . VAL A 124 ? 1.23687 1.28529 1.38672 0.0878162 -0.0242678 0.101765 120 VAL A CG2 +923 N N . PHE A 125 ? 0.958642 0.914792 1.02468 0.145068 -0.00595279 0.107287 121 PHE A N +924 C CA . PHE A 125 ? 0.995969 0.926884 1.03376 0.15699 -0.00906051 0.111862 121 PHE A CA +925 C C . PHE A 125 ? 0.997523 0.891179 1.00714 0.141695 -0.0103923 0.102852 121 PHE A C +926 O O . PHE A 125 ? 1.11932 0.995179 1.1251 0.128925 -0.00058522 0.0926263 121 PHE A O +927 C CB . PHE A 125 ? 1.07358 0.976035 1.09245 0.178767 0.00706545 0.113184 121 PHE A CB +928 C CG . PHE A 125 ? 1.15765 1.09273 1.19859 0.198966 0.0121945 0.121955 121 PHE A CG +929 C CD1 . PHE A 125 ? 1.23311 1.21203 1.29296 0.215155 0.00161457 0.13791 121 PHE A CD1 +930 C CD2 . PHE A 125 ? 1.18946 1.1123 1.23068 0.203056 0.0275621 0.115701 121 PHE A CD2 +931 C CE1 . PHE A 125 ? 1.28417 1.29796 1.36487 0.237323 0.00889152 0.148602 121 PHE A CE1 +932 C CE2 . PHE A 125 ? 1.19952 1.15046 1.2563 0.225191 0.0341893 0.12451 121 PHE A CE2 +933 C CZ . PHE A 125 ? 1.25419 1.25235 1.33161 0.243453 0.0261602 0.141529 121 PHE A CZ +934 N N . PRO A 126 ? 0.974124 0.857015 0.96268 0.143968 -0.0224939 0.107608 122 PRO A N +935 C CA . PRO A 126 ? 1.04861 0.894393 1.00513 0.134105 -0.0215766 0.100797 122 PRO A CA +936 C C . PRO A 126 ? 1.01145 0.815711 0.940038 0.141573 -0.00406333 0.0991562 122 PRO A C +937 O O . PRO A 126 ? 1.00173 0.796493 0.922579 0.157672 0.00059176 0.105321 122 PRO A O +938 C CB . PRO A 126 ? 1.10778 0.959117 1.05113 0.136171 -0.0429665 0.108406 122 PRO A CB +939 C CG . PRO A 126 ? 1.12005 0.99441 1.07649 0.156014 -0.0462628 0.120769 122 PRO A CG +940 C CD . PRO A 126 ? 1.0343 0.942415 1.02826 0.157004 -0.0380095 0.12102 122 PRO A CD +941 N N . LEU A 127 ? 0.987228 0.76734 0.899622 0.129948 0.0052193 0.0923628 123 LEU A N +942 C CA . LEU A 127 ? 1.09771 0.841258 0.983847 0.132278 0.0203812 0.0935905 123 LEU A CA +943 C C . LEU A 127 ? 1.22523 0.947306 1.07841 0.133666 0.0160697 0.0962794 123 LEU A C +944 O O . LEU A 127 ? 1.23092 0.94818 1.07575 0.124631 0.0188271 0.0918696 123 LEU A O +945 C CB . LEU A 127 ? 1.10411 0.842614 0.999696 0.118671 0.035785 0.087432 123 LEU A CB +946 C CG . LEU A 127 ? 1.18456 0.939815 1.10797 0.116439 0.0396014 0.0833914 123 LEU A CG +947 C CD1 . LEU A 127 ? 1.22918 0.982346 1.16133 0.100301 0.0511522 0.0774815 123 LEU A CD1 +948 C CD2 . LEU A 127 ? 1.16372 0.901939 1.079 0.129637 0.044229 0.0878267 123 LEU A CD2 +949 N N . ALA A 128 ? 1.33441 1.04212 1.16607 0.147547 0.00985679 0.104016 124 ALA A N +950 C CA . ALA A 128 ? 1.36444 1.0538 1.1629 0.151665 0.00072664 0.107199 124 ALA A CA +951 C C . ALA A 128 ? 1.39889 1.05457 1.16712 0.149455 0.0181691 0.108438 124 ALA A C +952 O O . ALA A 128 ? 1.50734 1.1462 1.27144 0.149939 0.0333859 0.112424 124 ALA A O +953 C CB . ALA A 128 ? 1.4142 1.10165 1.2008 0.168103 -0.0118286 0.116188 124 ALA A CB +954 N N . PRO A 129 ? 1.34685 0.98953 1.08907 0.147815 0.0159044 0.10678 125 PRO A N +955 C CA . PRO A 129 ? 1.37984 0.994274 1.09092 0.149777 0.0334261 0.111573 125 PRO A CA +956 C C . PRO A 129 ? 1.55992 1.14574 1.23485 0.163347 0.0304261 0.120403 125 PRO A C +957 O O . PRO A 129 ? 1.71961 1.29363 1.36665 0.171154 0.0153923 0.120762 125 PRO A O +958 C CB . PRO A 129 ? 1.33098 0.941761 1.02449 0.14773 0.0314251 0.106264 125 PRO A CB +959 C CG . PRO A 129 ? 1.28918 0.913461 0.989562 0.145475 0.00523473 0.0999437 125 PRO A CG +960 C CD . PRO A 129 ? 1.26829 0.919519 1.00521 0.144748 -0.00399517 0.101662 125 PRO A CD +961 N N . SER A 130 ? 1.70982 1.28002 1.38075 0.165502 0.0435431 0.127867 126 SER A N +962 C CA . SER A 130 ? 1.84336 1.38153 1.47571 0.178452 0.043576 0.13729 126 SER A CA +963 C C . SER A 130 ? 1.91336 1.42831 1.5204 0.174946 0.0654285 0.14546 126 SER A C +964 O O . SER A 130 ? 1.73268 1.25981 1.34851 0.166121 0.0770457 0.143698 126 SER A O +965 C CB . SER A 130 ? 1.97866 1.51072 1.61698 0.186551 0.0400059 0.141561 126 SER A CB +966 O OG . SER A 130 ? 2.15099 1.68438 1.8116 0.176042 0.0533772 0.140836 126 SER A OG +967 N N . SER A 131 ? 2.08116 1.56437 1.65577 0.183035 0.0714153 0.156092 127 SER A N +968 C CA . SER A 131 ? 2.09578 1.56151 1.65102 0.177516 0.0936673 0.167304 127 SER A CA +969 C C . SER A 131 ? 2.23267 1.70451 1.81604 0.159063 0.10761 0.171307 127 SER A C +970 O O . SER A 131 ? 2.04498 1.52135 1.63043 0.147716 0.125574 0.180005 127 SER A O +971 C CB . SER A 131 ? 1.95768 1.3858 1.46534 0.190992 0.095825 0.178454 127 SER A CB +972 O OG . SER A 131 ? 1.92962 1.33737 1.43186 0.195421 0.0902015 0.182201 127 SER A OG +973 N N . LYS A 132 ? 2.47407 1.94697 2.07791 0.156185 0.0992438 0.166039 128 LYS A N +974 C CA . LYS A 132 ? 2.25288 1.72713 1.88013 0.137769 0.10796 0.167177 128 LYS A CA +975 C C . LYS A 132 ? 2.1197 1.63297 1.78661 0.123 0.1118 0.159624 128 LYS A C +976 O O . LYS A 132 ? 1.76045 1.27881 1.44577 0.104074 0.121052 0.162986 128 LYS A O +977 C CB . LYS A 132 ? 1.98624 1.4475 1.61835 0.14382 0.097397 0.161941 128 LYS A CB +978 C CG . LYS A 132 ? 2.03995 1.4614 1.63423 0.161092 0.0926437 0.168902 128 LYS A CG +979 C CD . LYS A 132 ? 2.01456 1.39295 1.57422 0.15235 0.105712 0.183265 128 LYS A CD +980 C CE . LYS A 132 ? 1.9525 1.28942 1.46994 0.172874 0.100196 0.189958 128 LYS A CE +981 N NZ . LYS A 132 ? 1.98127 1.26655 1.46809 0.16532 0.107177 0.199662 128 LYS A NZ +982 N N . SER A 133 ? 2.09004 1.62858 1.76783 0.131137 0.102504 0.149694 129 SER A N +983 C CA . SER A 133 ? 1.93114 1.50372 1.64065 0.120976 0.105016 0.142092 129 SER A CA +984 C C . SER A 133 ? 1.97313 1.55226 1.66795 0.12362 0.1163 0.147003 129 SER A C +985 O O . SER A 133 ? 1.85432 1.45293 1.55876 0.125875 0.112067 0.138412 129 SER A O +986 C CB . SER A 133 ? 1.76095 1.35402 1.49067 0.126795 0.0869912 0.128658 129 SER A CB +987 O OG . SER A 133 ? 1.48087 1.06741 1.21802 0.131211 0.078345 0.1269 129 SER A OG +988 N N . THR A 134 ? 1.94684 1.50814 1.61618 0.124315 0.131283 0.161626 130 THR A N +989 C CA . THR A 134 ? 1.99598 1.56427 1.64934 0.129374 0.147423 0.170414 130 THR A CA +990 C C . THR A 134 ? 1.97624 1.5515 1.63822 0.11413 0.168606 0.188894 130 THR A C +991 O O . THR A 134 ? 2.07141 1.62554 1.7276 0.104728 0.16926 0.196926 130 THR A O +992 C CB . THR A 134 ? 2.0201 1.5596 1.62467 0.150237 0.143862 0.172508 130 THR A CB +993 O OG1 . THR A 134 ? 2.04533 1.55485 1.62715 0.15233 0.143319 0.181394 130 THR A OG1 +994 C CG2 . THR A 134 ? 2.08873 1.6229 1.68266 0.16194 0.120751 0.156962 130 THR A CG2 +995 N N . SER A 135 ? 2.00118 1.60614 1.67592 0.111329 0.185802 0.19761 131 SER A N +996 C CA . SER A 135 ? 1.9911 1.61738 1.68849 0.0911802 0.203297 0.216462 131 SER A CA +997 C C . SER A 135 ? 1.96086 1.62278 1.66417 0.0981583 0.224104 0.229016 131 SER A C +998 O O . SER A 135 ? 1.81123 1.50678 1.54412 0.0953816 0.225551 0.223839 131 SER A O +999 C CB . SER A 135 ? 1.90269 1.54445 1.64127 0.0671565 0.194887 0.210692 131 SER A CB +1000 O OG . SER A 135 ? 1.7643 1.41926 1.52083 0.0426901 0.206518 0.230074 131 SER A OG +1001 N N . GLY A 136 ? 1.98436 1.64004 1.65877 0.108775 0.241778 0.247245 132 GLY A N +1002 C CA . GLY A 136 ? 1.92403 1.61607 1.60227 0.118841 0.265415 0.263534 132 GLY A CA +1003 C C . GLY A 136 ? 1.86303 1.54906 1.51353 0.148853 0.264372 0.249528 132 GLY A C +1004 O O . GLY A 136 ? 1.6527 1.37289 1.31951 0.156192 0.275484 0.251996 132 GLY A O +1005 N N . GLY A 137 ? 1.70151 1.34097 1.30708 0.165502 0.249629 0.235869 133 GLY A N +1006 C CA . GLY A 137 ? 1.57335 1.19063 1.13987 0.191336 0.242112 0.221135 133 GLY A CA +1007 C C . GLY A 137 ? 1.43868 1.05879 1.02618 0.185477 0.219048 0.197563 133 GLY A C +1008 O O . GLY A 137 ? 1.48221 1.07925 1.03633 0.202437 0.20828 0.184433 133 GLY A O +1009 N N . THR A 138 ? 1.33774 0.983227 0.97641 0.161397 0.211429 0.19311 134 THR A N +1010 C CA . THR A 138 ? 1.38131 1.03589 1.0453 0.154413 0.192712 0.173491 134 THR A CA +1011 C C . THR A 138 ? 1.31305 0.946625 0.981229 0.145419 0.169352 0.16161 134 THR A C +1012 O O . THR A 138 ? 1.2841 0.906897 0.95266 0.137577 0.170886 0.169878 134 THR A O +1013 C CB . THR A 138 ? 1.43143 1.13046 1.14791 0.136328 0.201482 0.177578 134 THR A CB +1014 O OG1 . THR A 138 ? 1.48697 1.21085 1.20047 0.147471 0.22468 0.192385 134 THR A OG1 +1015 C CG2 . THR A 138 ? 1.42294 1.13289 1.16336 0.131283 0.185378 0.158676 134 THR A CG2 +1016 N N . ALA A 139 ? 1.29428 0.922418 0.964158 0.147346 0.148337 0.144051 135 ALA A N +1017 C CA . ALA A 139 ? 1.31648 0.934076 0.995015 0.141571 0.126577 0.134463 135 ALA A CA +1018 C C . ALA A 139 ? 1.27276 0.915353 0.991093 0.129951 0.115564 0.121868 135 ALA A C +1019 O O . ALA A 139 ? 1.31326 0.967659 1.03526 0.131698 0.116632 0.116008 135 ALA A O +1020 C CB . ALA A 139 ? 1.43388 1.02121 1.07115 0.15617 0.108471 0.128369 135 ALA A CB +1021 N N . ALA A 140 ? 1.40015 1.04728 1.14305 0.120901 0.104712 0.117758 136 ALA A N +1022 C CA . ALA A 140 ? 1.37705 1.04813 1.15662 0.111041 0.095686 0.106967 136 ALA A CA +1023 C C . ALA A 140 ? 1.34072 1.00974 1.12523 0.113989 0.0746276 0.0998732 136 ALA A C +1024 O O . ALA A 140 ? 1.17882 0.830562 0.947242 0.12121 0.0690832 0.104641 136 ALA A O +1025 C CB . ALA A 140 ? 1.36249 1.05002 1.17448 0.0958459 0.107272 0.11077 136 ALA A CB +1026 N N . LEU A 141 ? 1.26813 0.957784 1.07623 0.108644 0.0639994 0.0901547 137 LEU A N +1027 C CA . LEU A 141 ? 1.32639 1.02685 1.14877 0.109446 0.0448198 0.0854132 137 LEU A CA +1028 C C . LEU A 141 ? 1.22007 0.948208 1.07935 0.099021 0.0431607 0.0778194 137 LEU A C +1029 O O . LEU A 141 ? 1.23324 0.968763 1.10248 0.0921051 0.0547654 0.0753243 137 LEU A O +1030 C CB . LEU A 141 ? 1.39621 1.08529 1.19097 0.115523 0.0268077 0.0836831 137 LEU A CB +1031 C CG . LEU A 141 ? 1.46818 1.15647 1.25385 0.111056 0.0223232 0.076324 137 LEU A CG +1032 C CD1 . LEU A 141 ? 1.52775 1.23437 1.33229 0.10244 0.0005235 0.0706659 137 LEU A CD1 +1033 C CD2 . LEU A 141 ? 1.66155 1.31561 1.39563 0.121402 0.0214714 0.0780527 137 LEU A CD2 +1034 N N . GLY A 142 ? 1.13146 0.877596 1.01153 0.0988618 0.0292082 0.0756783 138 GLY A N +1035 C CA . GLY A 142 ? 1.14404 0.915662 1.05794 0.0900279 0.0292849 0.069725 138 GLY A CA +1036 C C . GLY A 142 ? 1.2316 1.02644 1.16892 0.0932041 0.0168076 0.0713345 138 GLY A C +1037 O O . GLY A 142 ? 1.06224 0.858593 0.991523 0.101128 0.00410762 0.077086 138 GLY A O +1038 N N . CYS A 143 ? 1.27076 1.08603 1.23723 0.0877519 0.0210465 0.0674275 139 CYS A N +1039 C CA . CYS A 143 ? 1.21723 1.06086 1.20976 0.0916549 0.0129043 0.0701785 139 CYS A CA +1040 C C . CYS A 143 ? 1.20628 1.051 1.21358 0.0941559 0.0264934 0.0681394 139 CYS A C +1041 O O . CYS A 143 ? 1.04675 0.884341 1.05711 0.0848198 0.036519 0.0620419 139 CYS A O +1042 C CB . CYS A 143 ? 1.21467 1.08328 1.22397 0.0806952 -0.00057373 0.0678664 139 CYS A CB +1043 S SG . CYS A 143 ? 1.28023 1.147 1.26982 0.0789086 -0.0241885 0.0734303 139 CYS A SG +1044 N N . LEU A 144 ? 1.18354 1.03597 1.19707 0.108326 0.0261286 0.0741054 140 LEU A N +1045 C CA . LEU A 144 ? 1.04258 0.891631 1.06351 0.114055 0.037019 0.0723557 140 LEU A CA +1046 C C . LEU A 144 ? 0.995408 0.884887 1.0466 0.118011 0.0319117 0.0750889 140 LEU A C +1047 O O . LEU A 144 ? 0.882782 0.798917 0.945013 0.128135 0.0224746 0.0844637 140 LEU A O +1048 C CB . LEU A 144 ? 1.18833 1.00973 1.18551 0.131626 0.0420619 0.0783516 140 LEU A CB +1049 C CG . LEU A 144 ? 1.24586 1.04677 1.2351 0.140605 0.0529974 0.0765992 140 LEU A CG +1050 C CD1 . LEU A 144 ? 1.38069 1.16074 1.36614 0.12139 0.0607364 0.0678429 140 LEU A CD1 +1051 C CD2 . LEU A 144 ? 1.29216 1.05749 1.24899 0.158306 0.0559442 0.0830953 140 LEU A CD2 +1052 N N . VAL A 145 ? 1.08184 0.978096 1.1472 0.108881 0.0379134 0.0682471 141 VAL A N +1053 C CA . VAL A 145 ? 1.09361 1.02682 1.18721 0.110755 0.0359513 0.070902 141 VAL A CA +1054 C C . VAL A 145 ? 1.12507 1.04575 1.21299 0.126053 0.0488341 0.0705747 141 VAL A C +1055 O O . VAL A 145 ? 0.970937 0.867334 1.04944 0.118364 0.0569633 0.0617351 141 VAL A O +1056 C CB . VAL A 145 ? 1.12868 1.07128 1.23511 0.0902577 0.0334946 0.062846 141 VAL A CB +1057 C CG1 . VAL A 145 ? 1.20985 1.18847 1.34462 0.0891814 0.0325588 0.0656487 141 VAL A CG1 +1058 C CG2 . VAL A 145 ? 1.12811 1.06992 1.22745 0.0781479 0.0209714 0.06247 141 VAL A CG2 +1059 N N . LYS A 146 ? 1.12963 1.06392 1.21913 0.14884 0.0500697 0.0809678 142 LYS A N +1060 C CA . LYS A 146 ? 1.15454 1.06268 1.22396 0.169127 0.0627331 0.0810082 142 LYS A CA +1061 C C . LYS A 146 ? 1.07422 1.02024 1.16668 0.18315 0.0678831 0.0875548 142 LYS A C +1062 O O . LYS A 146 ? 0.986913 0.984881 1.11194 0.182547 0.0603127 0.0977315 142 LYS A O +1063 C CB . LYS A 146 ? 1.16689 1.04765 1.20772 0.190187 0.0641573 0.0877788 142 LYS A CB +1064 C CG . LYS A 146 ? 1.2916 1.11428 1.29174 0.201668 0.0755623 0.0825113 142 LYS A CG +1065 C CD . LYS A 146 ? 1.38511 1.17387 1.3506 0.225528 0.0777727 0.0897066 142 LYS A CD +1066 C CE . LYS A 146 ? 1.46052 1.1839 1.37896 0.235579 0.0872509 0.0843933 142 LYS A CE +1067 N NZ . LYS A 146 ? 1.52067 1.24684 1.43102 0.2652 0.0965184 0.0884967 142 LYS A NZ +1068 N N . ASP A 147 ? 1.18658 1.10352 1.25924 0.193641 0.080005 0.0821251 143 ASP A N +1069 C CA . ASP A 147 ? 1.257 1.19497 1.33668 0.216036 0.0900458 0.0887996 143 ASP A CA +1070 C C . ASP A 147 ? 1.10699 1.1046 1.23111 0.204344 0.0866589 0.0939289 143 ASP A C +1071 O O . ASP A 147 ? 0.997428 1.04857 1.15113 0.214765 0.0837551 0.109558 143 ASP A O +1072 C CB . ASP A 147 ? 1.4169 1.36456 1.48757 0.251461 0.095268 0.103446 143 ASP A CB +1073 C CG . ASP A 147 ? 1.4505 1.33218 1.46996 0.266862 0.0994673 0.0995771 143 ASP A CG +1074 O OD1 . ASP A 147 ? 1.26354 1.08961 1.25272 0.250401 0.100139 0.0858859 143 ASP A OD1 +1075 O OD2 . ASP A 147 ? 1.50285 1.39012 1.5133 0.293836 0.100914 0.111559 143 ASP A OD2 +1076 N N . TYR A 148 ? 1.02822 1.01704 1.15653 0.18249 0.0867486 0.0822378 144 TYR A N +1077 C CA . TYR A 148 ? 0.924752 0.962104 1.0897 0.169865 0.083712 0.0864125 144 TYR A CA +1078 C C . TYR A 148 ? 0.890953 0.908222 1.04529 0.168127 0.0936294 0.0767248 144 TYR A C +1079 O O . TYR A 148 ? 0.858009 0.824077 0.98048 0.165424 0.0972549 0.0643412 144 TYR A O +1080 C CB . TYR A 148 ? 0.849266 0.902886 1.03333 0.140483 0.0681134 0.0836055 144 TYR A CB +1081 C CG . TYR A 148 ? 0.83262 0.844824 0.997808 0.119647 0.0664507 0.0670311 144 TYR A CG +1082 C CD1 . TYR A 148 ? 0.892869 0.902468 1.06306 0.105462 0.0689414 0.0582955 144 TYR A CD1 +1083 C CD2 . TYR A 148 ? 0.861665 0.840044 1.00453 0.115463 0.0633424 0.0618869 144 TYR A CD2 +1084 C CE1 . TYR A 148 ? 0.941687 0.920377 1.09773 0.0886931 0.0680571 0.0457632 144 TYR A CE1 +1085 C CE2 . TYR A 148 ? 0.865453 0.813803 0.994758 0.0979672 0.0635547 0.0502073 144 TYR A CE2 +1086 C CZ . TYR A 148 ? 0.84212 0.792686 0.979302 0.0849022 0.0657042 0.0425091 144 TYR A CZ +1087 O OH . TYR A 148 ? 0.710989 0.639451 0.838603 0.0694446 0.0663845 0.0333328 144 TYR A OH +1088 N N . PHE A 149 ? 0.977449 1.03637 1.15883 0.167737 0.0965975 0.0837517 145 PHE A N +1089 C CA . PHE A 149 ? 0.97689 1.02151 1.15005 0.165799 0.105168 0.0756954 145 PHE A CA +1090 C C . PHE A 149 ? 0.862862 0.960281 1.07393 0.153535 0.102521 0.0842695 145 PHE A C +1091 O O . PHE A 149 ? 0.87113 1.01841 1.11089 0.15924 0.099824 0.101285 145 PHE A O +1092 C CB . PHE A 149 ? 0.984933 1.01119 1.13203 0.198503 0.121118 0.0794028 145 PHE A CB +1093 C CG . PHE A 149 ? 0.989737 0.984006 1.11459 0.197434 0.128783 0.0681889 145 PHE A CG +1094 C CD1 . PHE A 149 ? 1.06949 1.00269 1.15795 0.186558 0.125852 0.0516922 145 PHE A CD1 +1095 C CD2 . PHE A 149 ? 1.02744 1.05326 1.16664 0.207457 0.138462 0.0758893 145 PHE A CD2 +1096 C CE1 . PHE A 149 ? 1.1197 1.02293 1.18606 0.184576 0.130198 0.0420574 145 PHE A CE1 +1097 C CE2 . PHE A 149 ? 1.18087 1.17404 1.2956 0.207454 0.144668 0.065428 145 PHE A CE2 +1098 C CZ . PHE A 149 ? 1.15889 1.08987 1.23644 0.196047 0.139624 0.0481011 145 PHE A CZ +1099 N N . PRO A 150 ? 0.873276 0.963378 1.08634 0.135296 0.101838 0.0746932 146 PRO A N +1100 C CA . PRO A 150 ? 0.935943 0.975992 1.1225 0.12205 0.100511 0.0562314 146 PRO A CA +1101 C C . PRO A 150 ? 0.995335 1.02923 1.18749 0.0965879 0.0872302 0.0489229 146 PRO A C +1102 O O . PRO A 150 ? 1.0199 1.08181 1.2315 0.0886478 0.0776288 0.0567074 146 PRO A O +1103 C CB . PRO A 150 ? 0.872689 0.92042 1.06397 0.118771 0.106573 0.053966 146 PRO A CB +1104 C CG . PRO A 150 ? 0.851082 0.954731 1.08059 0.10953 0.101661 0.0678907 146 PRO A CG +1105 C CD . PRO A 150 ? 0.871036 1.00475 1.1134 0.127086 0.102456 0.0837586 146 PRO A CD +1106 N N . GLU A 151 ? 0.899742 0.898455 1.07397 0.084331 0.0864832 0.035295 147 GLU A N +1107 C CA . GLU A 151 ? 0.903149 0.896997 1.08047 0.0638769 0.0769606 0.0292503 147 GLU A CA +1108 C C . GLU A 151 ? 0.860123 0.881171 1.05774 0.0499497 0.0712382 0.0308864 147 GLU A C +1109 O O . GLU A 151 ? 0.911133 0.944816 1.11639 0.0517749 0.0760783 0.0323924 147 GLU A O +1110 C CB . GLU A 151 ? 1.14046 1.09718 1.29675 0.0562273 0.0785584 0.0181483 147 GLU A CB +1111 C CG . GLU A 151 ? 1.29929 1.22908 1.43647 0.0609402 0.0787001 0.0184109 147 GLU A CG +1112 C CD . GLU A 151 ? 1.38817 1.30358 1.51973 0.0451208 0.0748313 0.0135669 147 GLU A CD +1113 O OE1 . GLU A 151 ? 1.36641 1.29704 1.50749 0.0386709 0.0694212 0.0154921 147 GLU A OE1 +1114 O OE2 . GLU A 151 ? 1.3352 1.22427 1.45139 0.0392825 0.0768472 0.00899986 147 GLU A OE2 +1115 N N . PRO A 152 ? 0.96381 0.990427 1.16617 0.0359543 0.0605049 0.031045 148 PRO A N +1116 C CA . PRO A 152 ? 1.12703 1.13437 1.31579 0.0330214 0.0557399 0.0279643 148 PRO A CA +1117 C C . PRO A 152 ? 1.28421 1.3072 1.47883 0.0318265 0.0449609 0.0368007 148 PRO A C +1118 O O . PRO A 152 ? 1.4554 1.50904 1.66855 0.0308799 0.0393364 0.0469497 148 PRO A O +1119 C CB . PRO A 152 ? 1.06529 1.06322 1.24941 0.0189929 0.0528659 0.0199793 148 PRO A CB +1120 C CG . PRO A 152 ? 0.97312 0.994587 1.17177 0.010589 0.0454701 0.0255475 148 PRO A CG +1121 C CD . PRO A 152 ? 0.993789 1.03992 1.20915 0.0217075 0.051887 0.0342661 148 PRO A CD +1122 N N . VAL A 153 ? 1.20024 1.20313 1.37872 0.0302745 0.0412265 0.0340146 149 VAL A N +1123 C CA . VAL A 153 ? 1.23358 1.24349 1.4104 0.0275009 0.028725 0.0407072 149 VAL A CA +1124 C C . VAL A 153 ? 1.19109 1.17651 1.34707 0.0174854 0.0233691 0.0336312 149 VAL A C +1125 O O . VAL A 153 ? 1.45195 1.41782 1.5965 0.0175787 0.0320798 0.0259772 149 VAL A O +1126 C CB . VAL A 153 ? 1.30406 1.3111 1.47538 0.0416569 0.0301306 0.046671 149 VAL A CB +1127 C CG1 . VAL A 153 ? 1.42583 1.46292 1.6166 0.0551405 0.0329379 0.0576049 149 VAL A CG1 +1128 C CG2 . VAL A 153 ? 1.3859 1.36088 1.53805 0.0481417 0.041579 0.03968 149 VAL A CG2 +1129 N N . THR A 154 ? 1.11876 1.10517 1.26794 0.00958974 0.00859923 0.0375503 150 THR A N +1130 C CA . THR A 154 ? 1.11193 1.06942 1.23317 0.00401067 0.00374431 0.0313279 150 THR A CA +1131 C C . THR A 154 ? 1.01258 0.95896 1.11698 0.00879221 -0.00392039 0.0356777 150 THR A C +1132 O O . THR A 154 ? 1.06517 1.03003 1.17988 0.00737098 -0.015734 0.0446169 150 THR A O +1133 C CB . THR A 154 ? 1.28873 1.24387 1.40455 -0.0102561 -0.0087839 0.0306571 150 THR A CB +1134 O OG1 . THR A 154 ? 1.5347 1.48632 1.63861 -0.0170846 -0.0272947 0.0371474 150 THR A OG1 +1135 C CG2 . THR A 154 ? 1.29948 1.28314 1.44358 -0.0166419 -0.00782853 0.034435 150 THR A CG2 +1136 N N . VAL A 155 ? 1.02098 0.940568 1.1009 0.0148899 0.00317297 0.0310063 151 VAL A N +1137 C CA . VAL A 155 ? 1.10729 1.011 1.16529 0.0204473 -0.00299857 0.0346818 151 VAL A CA +1138 C C . VAL A 155 ? 1.04716 0.919076 1.06863 0.0188044 -0.00729793 0.0298772 151 VAL A C +1139 O O . VAL A 155 ? 1.08766 0.948872 1.10109 0.0216015 0.00495696 0.024407 151 VAL A O +1140 C CB . VAL A 155 ? 1.11152 1.00889 1.16782 0.0320753 0.010656 0.0363043 151 VAL A CB +1141 C CG1 . VAL A 155 ? 1.2486 1.13209 1.28351 0.0385791 0.00297024 0.0417088 151 VAL A CG1 +1142 C CG2 . VAL A 155 ? 0.985067 0.903091 1.06838 0.0367066 0.0180329 0.0389802 151 VAL A CG2 +1143 N N . SER A 156 ? 1.04501 0.901688 1.04267 0.0158227 -0.0246643 0.032923 152 SER A N +1144 C CA . SER A 156 ? 1.20066 1.01801 1.15274 0.0172531 -0.0302597 0.0285556 152 SER A CA +1145 C C . SER A 156 ? 1.24668 1.04518 1.1716 0.0242763 -0.0377627 0.0328259 152 SER A C +1146 O O . SER A 156 ? 1.42182 1.24013 1.36461 0.023014 -0.0463529 0.0398228 152 SER A O +1147 C CB . SER A 156 ? 1.29793 1.10328 1.2362 0.00271741 -0.049419 0.0269014 152 SER A CB +1148 O OG . SER A 156 ? 1.52521 1.32177 1.44712 -0.0063714 -0.073704 0.0327286 152 SER A OG +1149 N N . TRP A 157 ? 1.24853 1.00879 1.12818 0.0336155 -0.0344233 0.0295719 153 TRP A N +1150 C CA . TRP A 157 ? 1.30157 1.03839 1.14839 0.040646 -0.0428691 0.0334301 153 TRP A CA +1151 C C . TRP A 157 ? 1.31077 1.00459 1.10591 0.0358125 -0.064248 0.0304245 153 TRP A C +1152 O O . TRP A 157 ? 1.40014 1.06583 1.16568 0.0387777 -0.0605109 0.0241167 153 TRP A O +1153 C CB . TRP A 157 ? 1.37189 1.09805 1.20488 0.0577658 -0.0198219 0.0346942 153 TRP A CB +1154 C CG . TRP A 157 ? 1.21438 0.972961 1.08884 0.0594278 -0.00598426 0.0394174 153 TRP A CG +1155 C CD1 . TRP A 157 ? 1.11582 0.897423 1.02312 0.0583452 0.011659 0.0385473 153 TRP A CD1 +1156 C CD2 . TRP A 157 ? 1.16988 0.935194 1.05071 0.0628656 -0.011096 0.0461062 153 TRP A CD2 +1157 N NE1 . TRP A 157 ? 1.16942 0.966452 1.09924 0.0600609 0.0169894 0.0435497 153 TRP A NE1 +1158 C CE2 . TRP A 157 ? 1.09601 0.883689 1.01017 0.0644143 0.00459095 0.0483947 153 TRP A CE2 +1159 C CE3 . TRP A 157 ? 1.17548 0.927097 1.03337 0.0653701 -0.0282267 0.050648 153 TRP A CE3 +1160 C CZ2 . TRP A 157 ? 1.02533 0.81894 0.948003 0.070284 0.0049273 0.0547845 153 TRP A CZ2 +1161 C CZ3 . TRP A 157 ? 1.1393 0.90263 1.01 0.0716861 -0.0272864 0.0576483 153 TRP A CZ3 +1162 C CH2 . TRP A 157 ? 1.06669 0.849397 0.968287 0.0749641 -0.0103582 0.0595445 153 TRP A CH2 +1163 N N . ASN A 158 ? 1.34139 1.03043 1.12577 0.0279938 -0.0879918 0.0357118 154 ASN A N +1164 C CA . ASN A 158 ? 1.49368 1.13762 1.22493 0.0196129 -0.114259 0.0341079 154 ASN A CA +1165 C C . ASN A 158 ? 1.53187 1.16641 1.25944 0.00255814 -0.126702 0.0298704 154 ASN A C +1166 O O . ASN A 158 ? 1.63977 1.22058 1.31027 0.00245355 -0.136284 0.0237784 154 ASN A O +1167 C CB . ASN A 158 ? 1.69916 1.28924 1.36636 0.0392739 -0.10589 0.0298474 154 ASN A CB +1168 C CG . ASN A 158 ? 1.82854 1.42374 1.49422 0.0524804 -0.0989642 0.0358619 154 ASN A CG +1169 O OD1 . ASN A 158 ? 1.77352 1.40668 1.4796 0.0462003 -0.105673 0.0429967 154 ASN A OD1 +1170 N ND2 . ASN A 158 ? 1.99385 1.55182 1.61242 0.0724968 -0.0844946 0.034345 154 ASN A ND2 +1171 N N . SER A 159 ? 1.59492 1.27978 1.38087 -0.01077 -0.126265 0.0338731 155 SER A N +1172 C CA . SER A 159 ? 1.59835 1.28738 1.39455 -0.0301786 -0.13797 0.0330248 155 SER A CA +1173 C C . SER A 159 ? 1.6301 1.28785 1.40019 -0.020837 -0.121278 0.0224164 155 SER A C +1174 O O . SER A 159 ? 1.57102 1.19864 1.31353 -0.0332323 -0.135317 0.019213 155 SER A O +1175 C CB . SER A 159 ? 1.60244 1.26846 1.3704 -0.0533514 -0.174169 0.0383055 155 SER A CB +1176 O OG . SER A 159 ? 1.48252 1.18408 1.27786 -0.0599477 -0.189311 0.0501994 155 SER A OG +1177 N N . GLY A 160 ? 1.79947 1.46698 1.58028 7.247e-05 -0.0919621 0.0185724 156 GLY A N +1178 C CA . GLY A 160 ? 1.74299 1.39539 1.51102 0.0105915 -0.0738266 0.0112333 156 GLY A CA +1179 C C . GLY A 160 ? 1.61818 1.22489 1.32935 0.0337766 -0.0615533 0.00727616 156 GLY A C +1180 O O . GLY A 160 ? 1.51259 1.12097 1.22311 0.0491081 -0.039313 0.00447039 156 GLY A O +1181 N N . ALA A 161 ? 1.58751 1.15883 1.25435 0.0373878 -0.075106 0.00878015 157 ALA A N +1182 C CA . ALA A 161 ? 1.86214 1.37977 1.46143 0.0600682 -0.0675136 0.00581962 157 ALA A CA +1183 C C . ALA A 161 ? 1.77872 1.31825 1.39176 0.0833086 -0.0360441 0.00980063 157 ALA A C +1184 O O . ALA A 161 ? 1.76951 1.28795 1.35011 0.104896 -0.017336 0.00876519 157 ALA A O +1185 C CB . ALA A 161 ? 2.07586 1.54993 1.6246 0.0546126 -0.0940438 0.00689221 157 ALA A CB +1186 N N . LEU A 162 ? 1.75047 1.33027 1.40776 0.0795223 -0.0307803 0.0159561 158 LEU A N +1187 C CA . LEU A 162 ? 1.45763 1.05591 1.12678 0.0966519 -0.00421064 0.0218035 158 LEU A CA +1188 C C . LEU A 162 ? 1.42507 1.07147 1.15074 0.0946557 0.0167691 0.0233514 158 LEU A C +1189 O O . LEU A 162 ? 1.32655 1.00805 1.10149 0.0787158 0.0114966 0.0231142 158 LEU A O +1190 C CB . LEU A 162 ? 1.41898 1.02902 1.10138 0.092706 -0.0110605 0.027673 158 LEU A CB +1191 C CG . LEU A 162 ? 1.52788 1.15285 1.21957 0.107201 0.0142968 0.035353 158 LEU A CG +1192 C CD1 . LEU A 162 ? 1.51277 1.09892 1.14581 0.12993 0.0274537 0.0370644 158 LEU A CD1 +1193 C CD2 . LEU A 162 ? 1.69029 1.32506 1.39519 0.103472 0.00729409 0.0411392 158 LEU A CD2 +1194 N N . THR A 163 ? 1.56721 1.21487 1.28323 0.111734 0.0399404 0.0259583 159 THR A N +1195 C CA . THR A 163 ? 1.53395 1.22742 1.30031 0.110253 0.0600822 0.0299553 159 THR A CA +1196 C C . THR A 163 ? 1.37825 1.08419 1.14247 0.126135 0.0847976 0.0410006 159 THR A C +1197 O O . THR A 163 ? 1.27258 1.01779 1.07991 0.121013 0.0992326 0.0472235 159 THR A O +1198 C CB . THR A 163 ? 1.51952 1.21754 1.29095 0.110888 0.063015 0.024844 159 THR A CB +1199 O OG1 . THR A 163 ? 1.32754 0.98997 1.04392 0.133566 0.0710772 0.0254291 159 THR A OG1 +1200 C CG2 . THR A 163 ? 1.6312 1.32372 1.41212 0.0921686 0.0406862 0.0162565 159 THR A CG2 +1201 N N . SER A 164 ? 1.37794 1.05017 1.09068 0.144552 0.0892957 0.0446861 160 SER A N +1202 C CA . SER A 164 ? 1.43288 1.11663 1.14049 0.159769 0.112606 0.0578162 160 SER A CA +1203 C C . SER A 164 ? 1.42791 1.13659 1.17232 0.145875 0.114505 0.064698 160 SER A C +1204 O O . SER A 164 ? 1.38422 1.07275 1.11513 0.14089 0.0998029 0.0621263 160 SER A O +1205 C CB . SER A 164 ? 1.60515 1.23874 1.24182 0.182619 0.113182 0.0587763 160 SER A CB +1206 O OG . SER A 164 ? 1.56045 1.2022 1.18817 0.197022 0.134319 0.0728748 160 SER A OG +1207 N N . GLY A 165 ? 1.52054 1.27068 1.30744 0.140281 0.132228 0.0747517 161 GLY A N +1208 C CA . GLY A 165 ? 1.51331 1.28091 1.32773 0.12817 0.136713 0.0833609 161 GLY A CA +1209 C C . GLY A 165 ? 1.37965 1.15448 1.22744 0.107808 0.119649 0.075058 161 GLY A C +1210 O O . GLY A 165 ? 1.39579 1.17071 1.25377 0.100292 0.1184 0.0795171 161 GLY A O +1211 N N . VAL A 166 ? 1.3648 1.14542 1.22795 0.10057 0.108039 0.0640838 162 VAL A N +1212 C CA . VAL A 166 ? 1.21673 1.00589 1.1091 0.0850232 0.092937 0.0567498 162 VAL A CA +1213 C C . VAL A 166 ? 1.1811 1.00149 1.1156 0.0729634 0.10241 0.0596052 162 VAL A C +1214 O O . VAL A 166 ? 1.2929 1.1304 1.2372 0.0743221 0.112496 0.0616621 162 VAL A O +1215 C CB . VAL A 166 ? 1.105 0.883591 0.989881 0.0821573 0.074683 0.0454483 162 VAL A CB +1216 C CG1 . VAL A 166 ? 0.98306 0.77907 0.902807 0.0680083 0.0625751 0.0408241 162 VAL A CG1 +1217 C CG2 . VAL A 166 ? 1.15785 0.900477 0.996728 0.0901973 0.0605835 0.0430744 162 VAL A CG2 +1218 N N . HIS A 167 ? 1.23596 1.0607 1.19089 0.0625551 0.0985739 0.0604385 163 HIS A N +1219 C CA . HIS A 167 ? 1.1146 0.959227 1.10273 0.0492894 0.102715 0.0612896 163 HIS A CA +1220 C C . HIS A 167 ? 1.01023 0.853434 1.01258 0.0438656 0.0893875 0.0527812 163 HIS A C +1221 O O . HIS A 167 ? 0.988107 0.819003 0.98498 0.0453247 0.0846359 0.0544609 163 HIS A O +1222 C CB . HIS A 167 ? 1.01005 0.854414 1.00058 0.0431928 0.113426 0.0734122 163 HIS A CB +1223 C CG . HIS A 167 ? 1.09437 0.951494 1.07943 0.0473005 0.12905 0.0855002 163 HIS A CG +1224 N ND1 . HIS A 167 ? 1.20654 1.08967 1.20696 0.0473898 0.136573 0.0875605 163 HIS A ND1 +1225 C CD2 . HIS A 167 ? 1.26193 1.11308 1.22896 0.0530079 0.139881 0.0980105 163 HIS A CD2 +1226 C CE1 . HIS A 167 ? 1.428 1.32457 1.4223 0.0538763 0.152236 0.102151 163 HIS A CE1 +1227 N NE2 . HIS A 167 ? 1.40233 1.27926 1.37581 0.0570701 0.154864 0.108696 163 HIS A NE2 +1228 N N . THR A 168 ? 0.971938 0.828138 0.99087 0.0397566 0.0841597 0.0449304 164 THR A N +1229 C CA . THR A 168 ? 1.07116 0.931684 1.1071 0.0353916 0.0753577 0.039622 164 THR A CA +1230 C C . THR A 168 ? 1.02968 0.898172 1.08539 0.0258978 0.0812616 0.0395365 164 THR A C +1231 O O . THR A 168 ? 1.01244 0.89455 1.08015 0.0203131 0.0853568 0.0379085 164 THR A O +1232 C CB . THR A 168 ? 1.08195 0.950295 1.12276 0.0353191 0.0646827 0.0325102 164 THR A CB +1233 O OG1 . THR A 168 ? 1.15646 1.01152 1.17425 0.0413547 0.0557047 0.033412 164 THR A OG1 +1234 C CG2 . THR A 168 ? 1.01774 0.896434 1.07812 0.0329448 0.0582587 0.0301511 164 THR A CG2 +1235 N N . PHE A 169 ? 1.01536 0.871982 1.07066 0.0250933 0.0802358 0.041246 165 PHE A N +1236 C CA . PHE A 169 ? 1.03612 0.887891 1.09902 0.0153505 0.08385 0.0418632 165 PHE A CA +1237 C C . PHE A 169 ? 0.994207 0.853456 1.07111 0.0144474 0.0795545 0.0339775 165 PHE A C +1238 O O . PHE A 169 ? 0.80627 0.67213 0.887386 0.0227879 0.0740136 0.030219 165 PHE A O +1239 C CB . PHE A 169 ? 1.03721 0.862238 1.08264 0.016819 0.0846395 0.0475024 165 PHE A CB +1240 C CG . PHE A 169 ? 1.00516 0.823014 1.03725 0.0146027 0.0909552 0.0572324 165 PHE A CG +1241 C CD1 . PHE A 169 ? 0.919508 0.737957 0.954354 7.388e-05 0.0975468 0.0654157 165 PHE A CD1 +1242 C CD2 . PHE A 169 ? 1.0207 0.832517 1.03714 0.0264034 0.0897926 0.0598302 165 PHE A CD2 +1243 C CE1 . PHE A 169 ? 0.921887 0.738401 0.946255 -0.00147106 0.105184 0.0769147 165 PHE A CE1 +1244 C CE2 . PHE A 169 ? 0.97667 0.781053 0.978106 0.0261314 0.0971824 0.0694874 165 PHE A CE2 +1245 C CZ . PHE A 169 ? 0.916446 0.725033 0.922985 0.0127924 0.106059 0.0784898 165 PHE A CZ +1246 N N . PRO A 170 ? 1.05015 0.908965 1.13404 0.00334424 0.0817254 0.0330122 166 PRO A N +1247 C CA . PRO A 170 ? 1.03329 0.891023 1.1235 0.00296389 0.078666 0.0262444 166 PRO A CA +1248 C C . PRO A 170 ? 1.03222 0.867937 1.10798 0.0139814 0.076902 0.0259324 166 PRO A C +1249 O O . PRO A 170 ? 1.14502 0.955046 1.20228 0.0141277 0.0779006 0.0305853 166 PRO A O +1250 C CB . PRO A 170 ? 1.03165 0.884527 1.12401 -0.0128117 0.079389 0.0274558 166 PRO A CB +1251 C CG . PRO A 170 ? 1.03744 0.898745 1.13174 -0.021969 0.0839131 0.0370921 166 PRO A CG +1252 C CD . PRO A 170 ? 1.07301 0.933382 1.15832 -0.0100366 0.0866166 0.0402717 166 PRO A CD +1253 N N . ALA A 171 ? 1.03316 0.878965 1.11625 0.0239844 0.0750292 0.0217528 167 ALA A N +1254 C CA . ALA A 171 ? 1.13086 0.960079 1.20067 0.0389233 0.0754706 0.0229966 167 ALA A CA +1255 C C . ALA A 171 ? 1.04197 0.833811 1.08868 0.0352872 0.0769757 0.021148 167 ALA A C +1256 O O . ALA A 171 ? 1.15467 0.942718 1.20317 0.021403 0.075925 0.0175693 167 ALA A O +1257 C CB . ALA A 171 ? 1.24197 1.09741 1.32839 0.0495615 0.074653 0.0217058 167 ALA A CB +1258 N N . VAL A 172 ? 1.0897 0.850488 1.11088 0.0480497 0.0781607 0.0240836 168 VAL A N +1259 C CA . VAL A 172 ? 1.27138 0.986213 1.26042 0.0478811 0.0780362 0.0217275 168 VAL A CA +1260 C C . VAL A 172 ? 1.31107 1.01869 1.28752 0.0741643 0.082216 0.0207886 168 VAL A C +1261 O O . VAL A 172 ? 1.3425 1.0765 1.3321 0.0922349 0.0847805 0.0256679 168 VAL A O +1262 C CB . VAL A 172 ? 1.41533 1.08847 1.37487 0.040595 0.0763258 0.0269958 168 VAL A CB +1263 C CG1 . VAL A 172 ? 1.49926 1.19062 1.47618 0.0184078 0.0750752 0.0317437 168 VAL A CG1 +1264 C CG2 . VAL A 172 ? 1.44114 1.09992 1.38291 0.0629829 0.078965 0.03225 168 VAL A CG2 +1265 N N . LEU A 173 ? 1.2362 0.908832 1.18588 0.0769685 0.0826477 0.0158657 169 LEU A N +1266 C CA . LEU A 173 ? 1.29948 0.96099 1.23071 0.105826 0.0892134 0.0161725 169 LEU A CA +1267 C C . LEU A 173 ? 1.37714 0.982967 1.26061 0.123115 0.0908161 0.0194241 169 LEU A C +1268 O O . LEU A 173 ? 1.46597 1.01611 1.31144 0.110461 0.0855104 0.0163918 169 LEU A O +1269 C CB . LEU A 173 ? 1.34523 0.992196 1.26439 0.104581 0.0898092 0.00900002 169 LEU A CB +1270 C CG . LEU A 173 ? 1.31042 0.956667 1.21562 0.137038 0.0996425 0.010736 169 LEU A CG +1271 C CD1 . LEU A 173 ? 1.31338 1.02926 1.26634 0.148663 0.105309 0.018118 169 LEU A CD1 +1272 C CD2 . LEU A 173 ? 1.28159 0.901415 1.16518 0.133334 0.0990337 0.00270677 169 LEU A CD2 +1273 N N . GLN A 174 ? 1.45047 1.07007 1.33388 0.152013 0.0972449 0.0266966 170 GLN A N +1274 C CA . GLN A 174 ? 1.49641 1.06293 1.33197 0.173453 0.0997791 0.0306841 170 GLN A CA +1275 C C . GLN A 174 ? 1.54042 1.05818 1.32863 0.196628 0.105664 0.0271999 170 GLN A C +1276 O O . GLN A 174 ? 1.50442 1.04426 1.30527 0.202759 0.110225 0.0243743 170 GLN A O +1277 C CB . GLN A 174 ? 1.43992 1.04419 1.29508 0.196426 0.103606 0.0413629 170 GLN A CB +1278 C CG . GLN A 174 ? 1.4085 1.05576 1.30386 0.174968 0.0968741 0.0441584 170 GLN A CG +1279 C CD . GLN A 174 ? 1.4758 1.16035 1.38932 0.195817 0.0975275 0.0550065 170 GLN A CD +1280 O OE1 . GLN A 174 ? 1.42836 1.10925 1.34003 0.190497 0.0928932 0.0588324 170 GLN A OE1 +1281 N NE2 . GLN A 174 ? 1.54403 1.26865 1.47694 0.21921 0.102928 0.0615437 170 GLN A NE2 +1282 N N . SER A 175 ? 1.71762 1.16385 1.44561 0.211205 0.105846 0.0277253 171 SER A N +1283 C CA . SER A 175 ? 1.7984 1.18687 1.46898 0.238522 0.111858 0.0246345 171 SER A CA +1284 C C . SER A 175 ? 1.75805 1.19335 1.44591 0.280695 0.126984 0.032953 171 SER A C +1285 O O . SER A 175 ? 1.77361 1.18079 1.42621 0.306171 0.135418 0.0313602 171 SER A O +1286 C CB . SER A 175 ? 1.89115 1.18973 1.48945 0.246997 0.108341 0.0245812 171 SER A CB +1287 O OG . SER A 175 ? 1.9167 1.22754 1.51692 0.270853 0.113768 0.034671 171 SER A OG +1288 N N . SER A 176 ? 1.70115 1.2085 1.44223 0.287778 0.12994 0.0432792 172 SER A N +1289 C CA . SER A 176 ? 1.60404 1.17282 1.37516 0.321849 0.142236 0.0553262 172 SER A CA +1290 C C . SER A 176 ? 1.49294 1.11932 1.31005 0.31036 0.144825 0.0538901 172 SER A C +1291 O O . SER A 176 ? 1.67718 1.35402 1.51801 0.336371 0.155821 0.0649404 172 SER A O +1292 C CB . SER A 176 ? 1.57704 1.20018 1.38734 0.327968 0.140221 0.0677318 172 SER A CB +1293 O OG . SER A 176 ? 1.42574 1.09243 1.2858 0.290035 0.128608 0.0648491 172 SER A OG +1294 N N . GLY A 177 ? 1.36006 0.980955 1.19006 0.272064 0.135022 0.0421023 173 GLY A N +1295 C CA . GLY A 177 ? 1.41043 1.07632 1.27764 0.258916 0.136268 0.0393258 173 GLY A CA +1296 C C . GLY A 177 ? 1.33886 1.08347 1.27372 0.239419 0.13094 0.0451702 173 GLY A C +1297 O O . GLY A 177 ? 1.26324 1.04757 1.23122 0.226746 0.130952 0.043989 173 GLY A O +1298 N N . LEU A 178 ? 1.24273 1.00441 1.19287 0.237118 0.125521 0.0514181 174 LEU A N +1299 C CA . LEU A 178 ? 1.10811 0.932096 1.11169 0.217836 0.117637 0.0562869 174 LEU A CA +1300 C C . LEU A 178 ? 1.15743 0.961181 1.16158 0.184525 0.106616 0.0466435 174 LEU A C +1301 O O . LEU A 178 ? 1.25555 1.00658 1.22429 0.179886 0.104541 0.0417266 174 LEU A O +1302 C CB . LEU A 178 ? 1.11874 0.976072 1.13623 0.239678 0.118254 0.0711531 174 LEU A CB +1303 C CG . LEU A 178 ? 1.18935 1.0753 1.20926 0.277102 0.130901 0.0851948 174 LEU A CG +1304 C CD1 . LEU A 178 ? 1.28848 1.18547 1.30398 0.304 0.132048 0.099026 174 LEU A CD1 +1305 C CD2 . LEU A 178 ? 1.22603 1.18514 1.29844 0.269967 0.131128 0.0942684 174 LEU A CD2 +1306 N N . TYR A 179 ? 1.21145 1.0575 1.25466 0.161691 0.0997411 0.0454691 175 TYR A N +1307 C CA . TYR A 179 ? 1.11895 0.954574 1.16577 0.133981 0.0915216 0.0385827 175 TYR A CA +1308 C C . TYR A 179 ? 1.11531 0.959185 1.16594 0.135375 0.0860626 0.045235 175 TYR A C +1309 O O . TYR A 179 ? 1.00746 0.882362 1.0724 0.151211 0.0850525 0.0552679 175 TYR A O +1310 C CB . TYR A 179 ? 1.07652 0.946926 1.15518 0.113633 0.0876113 0.0342845 175 TYR A CB +1311 C CG . TYR A 179 ? 1.1165 0.973761 1.18847 0.108447 0.0915364 0.0264588 175 TYR A CG +1312 C CD1 . TYR A 179 ? 1.14338 0.968154 1.19923 0.0903643 0.0888894 0.0177132 175 TYR A CD1 +1313 C CD2 . TYR A 179 ? 1.17372 1.05496 1.25729 0.120529 0.097252 0.0294358 175 TYR A CD2 +1314 C CE1 . TYR A 179 ? 1.14097 0.953156 1.1891 0.0850725 0.0902406 0.0109856 175 TYR A CE1 +1315 C CE2 . TYR A 179 ? 1.34887 1.2159 1.42317 0.116581 0.100478 0.0222162 175 TYR A CE2 +1316 C CZ . TYR A 179 ? 1.34528 1.1758 1.40035 0.0990903 0.0961615 0.0123629 175 TYR A CZ +1317 O OH . TYR A 179 ? 1.8278 1.64461 1.87268 0.0950597 0.0973931 0.00575002 175 TYR A OH +1318 N N . SER A 180 ? 1.13653 0.955883 1.17574 0.117783 0.0821329 0.0409302 176 SER A N +1319 C CA . SER A 180 ? 1.22236 1.04548 1.2614 0.117329 0.0770741 0.0463802 176 SER A CA +1320 C C . SER A 180 ? 1.11936 0.936129 1.16037 0.0931776 0.0738259 0.0417201 176 SER A C +1321 O O . SER A 180 ? 1.11934 0.909434 1.14719 0.0803196 0.0764228 0.0370773 176 SER A O +1322 C CB . SER A 180 ? 1.29528 1.08065 1.30093 0.135807 0.0803689 0.0511859 176 SER A CB +1323 O OG . SER A 180 ? 1.36105 1.14732 1.36339 0.136449 0.0755356 0.0568588 176 SER A OG +1324 N N . LEU A 181 ? 1.08191 0.923221 1.13755 0.0875048 0.067748 0.0442464 177 LEU A N +1325 C CA . LEU A 181 ? 1.14123 0.977029 1.1951 0.0700796 0.0670818 0.0414973 177 LEU A CA +1326 C C . LEU A 181 ? 1.10191 0.940757 1.1495 0.073057 0.0617271 0.0467887 177 LEU A C +1327 O O . LEU A 181 ? 1.12271 0.980209 1.17734 0.0829287 0.054673 0.0513389 177 LEU A O +1328 C CB . LEU A 181 ? 1.12654 0.984641 1.20046 0.0566018 0.0661653 0.0354775 177 LEU A CB +1329 C CG . LEU A 181 ? 0.994569 0.8825 1.08494 0.0548506 0.0580619 0.0358902 177 LEU A CG +1330 C CD1 . LEU A 181 ? 1.12409 1.00761 1.20443 0.0489917 0.0546256 0.0365453 177 LEU A CD1 +1331 C CD2 . LEU A 181 ? 0.955517 0.859761 1.06259 0.0462662 0.058644 0.0301097 177 LEU A CD2 +1332 N N . SER A 182 ? 1.03417 0.855597 1.06807 0.064014 0.065025 0.0474826 178 SER A N +1333 C CA . SER A 182 ? 1.14077 0.959385 1.16254 0.0668601 0.061255 0.0520254 178 SER A CA +1334 C C . SER A 182 ? 1.12923 0.958675 1.15478 0.0564034 0.0613933 0.0490286 178 SER A C +1335 O O . SER A 182 ? 1.04875 0.882173 1.08291 0.0463593 0.0675859 0.0457186 178 SER A O +1336 C CB . SER A 182 ? 1.25979 1.04685 1.257 0.0691943 0.0667807 0.0577003 178 SER A CB +1337 O OG . SER A 182 ? 1.21272 0.990239 1.20645 0.0546148 0.0748425 0.0583758 178 SER A OG +1338 N N . SER A 183 ? 1.05766 0.890491 1.07413 0.0603342 0.0534392 0.050605 179 SER A N +1339 C CA . SER A 183 ? 1.05518 0.886281 1.06096 0.0560448 0.0541186 0.048964 179 SER A CA +1340 C C . SER A 183 ? 1.01913 0.829556 0.996574 0.0629948 0.0550234 0.0550033 179 SER A C +1341 O O . SER A 183 ? 0.933148 0.738254 0.901497 0.0706391 0.0460745 0.0583721 179 SER A O +1342 C CB . SER A 183 ? 1.12145 0.966108 1.13265 0.0539085 0.041594 0.0447673 179 SER A CB +1343 O OG . SER A 183 ? 1.14787 0.982868 1.14061 0.0524557 0.0422037 0.0422785 179 SER A OG +1344 N N . VAL A 184 ? 0.980858 0.782329 0.944411 0.0616959 0.0658628 0.0577112 180 VAL A N +1345 C CA . VAL A 184 ? 1.01247 0.793638 0.946128 0.0696558 0.0684718 0.0643111 180 VAL A CA +1346 C C . VAL A 184 ? 1.11968 0.895645 1.03246 0.0740038 0.0715557 0.0635538 180 VAL A C +1347 O O . VAL A 184 ? 1.22195 1.00982 1.14423 0.0706666 0.0746655 0.0591455 180 VAL A O +1348 C CB . VAL A 184 ? 0.992972 0.763925 0.92346 0.0666625 0.0820888 0.0729558 180 VAL A CB +1349 C CG1 . VAL A 184 ? 1.04344 0.808487 0.984099 0.0648246 0.0790277 0.0731436 180 VAL A CG1 +1350 C CG2 . VAL A 184 ? 1.02203 0.806925 0.965948 0.0571305 0.0958301 0.0760406 180 VAL A CG2 +1351 N N . VAL A 185 ? 1.1808 0.935178 1.06019 0.0838575 0.0715713 0.0684774 181 VAL A N +1352 C CA . VAL A 185 ? 1.21113 0.952814 1.06046 0.0928378 0.0779507 0.0696196 181 VAL A CA +1353 C C . VAL A 185 ? 1.27665 0.999151 1.09653 0.102595 0.0884008 0.0800709 181 VAL A C +1354 O O . VAL A 185 ? 1.31687 1.02257 1.12073 0.106528 0.0795433 0.0821545 181 VAL A O +1355 C CB . VAL A 185 ? 1.19409 0.921076 1.02137 0.0958097 0.0593791 0.0610443 181 VAL A CB +1356 C CG1 . VAL A 185 ? 1.24262 0.962198 1.06516 0.094144 0.0383856 0.0599859 181 VAL A CG1 +1357 C CG2 . VAL A 185 ? 1.34155 1.04082 1.12177 0.109744 0.0641897 0.0620242 181 VAL A CG2 +1358 N N . THR A 186 ? 1.32256 1.05134 1.13766 0.106754 0.108294 0.0885157 182 THR A N +1359 C CA . THR A 186 ? 1.31364 1.02705 1.0994 0.117096 0.121543 0.100746 182 THR A CA +1360 C C . THR A 186 ? 1.26757 0.954692 1.00456 0.136128 0.121106 0.0990792 182 THR A C +1361 O O . THR A 186 ? 1.39831 1.08693 1.12805 0.141977 0.122209 0.0937584 182 THR A O +1362 C CB . THR A 186 ? 1.34977 1.08918 1.15884 0.110376 0.143551 0.114429 182 THR A CB +1363 O OG1 . THR A 186 ? 1.26635 1.03488 1.10383 0.104986 0.148789 0.111887 182 THR A OG1 +1364 C CG2 . THR A 186 ? 1.48287 1.22763 1.31866 0.0930721 0.142282 0.118776 182 THR A CG2 +1365 N N . VAL A 187 ? 1.36812 1.02589 1.06606 0.147049 0.119114 0.103693 183 VAL A N +1366 C CA . VAL A 187 ? 1.34824 0.970745 0.988672 0.166788 0.117908 0.102771 183 VAL A CA +1367 C C . VAL A 187 ? 1.26471 0.872064 0.875531 0.178856 0.133659 0.117104 183 VAL A C +1368 O O . VAL A 187 ? 1.29392 0.906435 0.921221 0.170154 0.134644 0.123682 183 VAL A O +1369 C CB . VAL A 187 ? 1.43271 1.02605 1.04807 0.165399 0.087932 0.0901228 183 VAL A CB +1370 C CG1 . VAL A 187 ? 1.38726 0.989168 1.01939 0.156008 0.0738789 0.0777097 183 VAL A CG1 +1371 C CG2 . VAL A 187 ? 1.43957 1.03482 1.07098 0.156093 0.0730114 0.0910318 183 VAL A CG2 +1372 N N . PRO A 188 ? 1.22742 0.812109 0.789452 0.200643 0.147097 0.123359 184 PRO A N +1373 C CA . PRO A 188 ? 1.31448 0.882188 0.84471 0.212692 0.16103 0.137487 184 PRO A CA +1374 C C . PRO A 188 ? 1.36008 0.89845 0.871115 0.20918 0.139743 0.133246 184 PRO A C +1375 O O . PRO A 188 ? 1.37953 0.896306 0.874413 0.20746 0.113657 0.120067 184 PRO A O +1376 C CB . PRO A 188 ? 1.34561 0.884214 0.815575 0.240785 0.173081 0.140233 184 PRO A CB +1377 C CG . PRO A 188 ? 1.27443 0.83366 0.763259 0.241671 0.177099 0.133964 184 PRO A CG +1378 C CD . PRO A 188 ? 1.23486 0.804327 0.763679 0.217331 0.150406 0.117942 184 PRO A CD +1379 N N . SER A 189 ? 1.44476 0.983623 0.957902 0.207397 0.150376 0.146174 185 SER A N +1380 C CA . SER A 189 ? 1.46483 0.980884 0.965737 0.204509 0.131394 0.14369 185 SER A CA +1381 C C . SER A 189 ? 1.52799 0.997618 0.963662 0.22287 0.116883 0.139042 185 SER A C +1382 O O . SER A 189 ? 1.52491 0.978189 0.951538 0.220026 0.0930912 0.133527 185 SER A O +1383 C CB . SER A 189 ? 1.50561 1.02669 1.01886 0.198383 0.145835 0.158776 185 SER A CB +1384 O OG . SER A 189 ? 1.64663 1.16104 1.1314 0.21074 0.171104 0.1753 185 SER A OG +1385 N N . SER A 190 ? 1.60877 1.05725 0.998224 0.242254 0.130093 0.141744 186 SER A N +1386 C CA . SER A 190 ? 1.69343 1.08841 1.01032 0.26065 0.11562 0.136973 186 SER A CA +1387 C C . SER A 190 ? 1.70128 1.07722 1.00366 0.255484 0.0854742 0.119308 186 SER A C +1388 O O . SER A 190 ? 1.79284 1.12161 1.03632 0.264719 0.0651441 0.113602 186 SER A O +1389 C CB . SER A 190 ? 1.74784 1.11884 1.00977 0.287332 0.141796 0.147737 186 SER A CB +1390 O OG . SER A 190 ? 1.81271 1.21196 1.09419 0.292668 0.164607 0.151271 186 SER A OG +1391 N N . SER A 191 ? 1.6356 1.04605 0.989422 0.239124 0.081103 0.111478 187 SER A N +1392 C CA . SER A 191 ? 1.74478 1.14013 1.08863 0.231137 0.0538455 0.0966756 187 SER A CA +1393 C C . SER A 191 ? 1.81375 1.23357 1.20388 0.208455 0.0267942 0.0910849 187 SER A C +1394 O O . SER A 191 ? 2.00939 1.44265 1.4239 0.194108 0.0104276 0.0817801 187 SER A O +1395 C CB . SER A 191 ? 1.8823 1.29773 1.24755 0.230409 0.0673786 0.0925607 187 SER A CB +1396 O OG . SER A 191 ? 1.87976 1.35063 1.32126 0.211852 0.0753773 0.0940541 187 SER A OG +1397 N N . LEU A 192 ? 1.79703 1.22404 1.19947 0.206387 0.0229405 0.0979622 188 LEU A N +1398 C CA . LEU A 192 ? 1.80859 1.26575 1.25902 0.189195 0.00177085 0.0952778 188 LEU A CA +1399 C C . LEU A 192 ? 1.91391 1.34611 1.33174 0.185764 -0.0342511 0.0903743 188 LEU A C +1400 O O . LEU A 192 ? 2.2055 1.65734 1.65115 0.169842 -0.0564742 0.0846192 188 LEU A O +1401 C CB . LEU A 192 ? 1.6086 1.08595 1.0895 0.188872 0.0126572 0.104896 188 LEU A CB +1402 C CG . LEU A 192 ? 1.52721 1.03982 1.05888 0.180927 0.0380123 0.108308 188 LEU A CG +1403 C CD1 . LEU A 192 ? 1.57363 1.08925 1.11682 0.18215 0.0490104 0.118813 188 LEU A CD1 +1404 C CD2 . LEU A 192 ? 1.45545 1.00334 1.03869 0.16493 0.027938 0.0996587 188 LEU A CD2 +1405 N N . GLY A 193 ? 1.76235 1.15138 1.11992 0.199782 -0.0404848 0.0939642 189 GLY A N +1406 C CA . GLY A 193 ? 1.7093 1.07107 1.0304 0.195161 -0.0772415 0.0906625 189 GLY A CA +1407 C C . GLY A 193 ? 1.77331 1.09606 1.04723 0.193102 -0.0906743 0.0807388 189 GLY A C +1408 O O . GLY A 193 ? 1.85176 1.12533 1.06183 0.19766 -0.112913 0.0789635 189 GLY A O +1409 N N . THR A 194 ? 1.78523 1.12371 1.08373 0.187051 -0.0786575 0.0744053 190 THR A N +1410 C CA . THR A 194 ? 1.93344 1.22548 1.17724 0.188798 -0.0890342 0.0652206 190 THR A CA +1411 C C . THR A 194 ? 1.88336 1.20292 1.17019 0.168664 -0.0978512 0.0578474 190 THR A C +1412 O O . THR A 194 ? 1.81611 1.0957 1.05903 0.16725 -0.109302 0.0498528 190 THR A O +1413 C CB . THR A 194 ? 2.09848 1.35735 1.29333 0.215878 -0.0563142 0.0664778 190 THR A CB +1414 O OG1 . THR A 194 ? 2.47731 1.67055 1.59401 0.222119 -0.0746663 0.058082 190 THR A OG1 +1415 C CG2 . THR A 194 ? 2.11719 1.41446 1.35796 0.217872 -0.0255687 0.0664942 190 THR A CG2 +1416 N N . GLN A 195 ? 1.86532 1.2477 1.23225 0.153965 -0.0928631 0.0604384 191 GLN A N +1417 C CA . GLN A 195 ? 1.88039 1.28824 1.28615 0.135837 -0.100018 0.0542165 191 GLN A CA +1418 C C . GLN A 195 ? 1.83719 1.30426 1.31572 0.117415 -0.111721 0.0589211 191 GLN A C +1419 O O . GLN A 195 ? 1.94866 1.44687 1.46253 0.123203 -0.0976844 0.0657806 191 GLN A O +1420 C CB . GLN A 195 ? 1.91982 1.33861 1.34007 0.145884 -0.0668668 0.0513281 191 GLN A CB +1421 C CG . GLN A 195 ? 1.80262 1.22132 1.2308 0.133304 -0.0750235 0.042861 191 GLN A CG +1422 C CD . GLN A 195 ? 1.87848 1.25294 1.2508 0.151981 -0.0594889 0.0377498 191 GLN A CD +1423 O OE1 . GLN A 195 ? 2.01177 1.34506 1.32513 0.175151 -0.0474617 0.039962 191 GLN A OE1 +1424 N NE2 . GLN A 195 ? 1.74349 1.12527 1.13158 0.143737 -0.0594705 0.0315255 191 GLN A NE2 +1425 N N . THR A 196 ? 1.82658 1.30648 1.32373 0.0961466 -0.136702 0.0561047 192 THR A N +1426 C CA . THR A 196 ? 1.89552 1.43528 1.46201 0.0798369 -0.147221 0.0619639 192 THR A CA +1427 C C . THR A 196 ? 1.77116 1.34797 1.38979 0.075025 -0.125843 0.0579902 192 THR A C +1428 O O . THR A 196 ? 1.71935 1.27917 1.32422 0.0690863 -0.125607 0.0505988 192 THR A O +1429 C CB . THR A 196 ? 1.79122 1.32948 1.3503 0.0578726 -0.188067 0.0651862 192 THR A CB +1430 O OG1 . THR A 196 ? 1.80588 1.33006 1.33775 0.0646985 -0.20351 0.0722294 192 THR A OG1 +1431 C CG2 . THR A 196 ? 1.62127 1.22467 1.25284 0.0395529 -0.197497 0.0719631 192 THR A CG2 +1432 N N . TYR A 197 ? 1.56571 1.18858 1.23926 0.078579 -0.108769 0.0629856 193 TYR A N +1433 C CA . TYR A 197 ? 1.52202 1.17838 1.24304 0.0746963 -0.0889002 0.0596472 193 TYR A CA +1434 C C . TYR A 197 ? 1.31649 1.02286 1.09287 0.061457 -0.101772 0.0649925 193 TYR A C +1435 O O . TYR A 197 ? 1.31603 1.04558 1.11243 0.0659856 -0.106603 0.0734722 193 TYR A O +1436 C CB . TYR A 197 ? 1.5988 1.26006 1.3306 0.0893827 -0.0570384 0.0609483 193 TYR A CB +1437 C CG . TYR A 197 ? 1.56871 1.18819 1.24879 0.104341 -0.0419172 0.0597392 193 TYR A CG +1438 C CD1 . TYR A 197 ? 1.53594 1.13881 1.19683 0.108048 -0.0290046 0.0539044 193 TYR A CD1 +1439 C CD2 . TYR A 197 ? 1.52585 1.12368 1.17514 0.117144 -0.0391918 0.0659218 193 TYR A CD2 +1440 C CE1 . TYR A 197 ? 1.51587 1.08487 1.1294 0.12545 -0.0130064 0.0552896 193 TYR A CE1 +1441 C CE2 . TYR A 197 ? 1.68907 1.25141 1.29081 0.132576 -0.0233367 0.0669254 193 TYR A CE2 +1442 C CZ . TYR A 197 ? 1.71583 1.26522 1.30006 0.137491 -0.00973238 0.062123 193 TYR A CZ +1443 O OH . TYR A 197 ? 1.92623 1.44416 1.46292 0.156293 0.00774707 0.065376 193 TYR A OH +1444 N N . ILE A 198 ? 1.24773 0.969822 1.04592 0.0470077 -0.106588 0.0611265 194 ILE A N +1445 C CA . ILE A 198 ? 1.22704 0.999697 1.0789 0.0350722 -0.115384 0.0673605 194 ILE A CA +1446 C C . ILE A 198 ? 1.17321 0.965317 1.05775 0.0327933 -0.0950495 0.0612954 194 ILE A C +1447 O O . ILE A 198 ? 1.15533 0.925179 1.02141 0.0275845 -0.0919235 0.0530948 194 ILE A O +1448 C CB . ILE A 198 ? 1.30566 1.0788 1.1491 0.0144335 -0.148938 0.071891 194 ILE A CB +1449 C CG1 . ILE A 198 ? 1.27653 1.04006 1.09563 0.0151651 -0.17254 0.080496 194 ILE A CG1 +1450 C CG2 . ILE A 198 ? 1.36878 1.19639 1.26899 0.00032432 -0.154089 0.078901 194 ILE A CG2 +1451 C CD1 . ILE A 198 ? 1.31566 1.08543 1.13092 -0.00905009 -0.209466 0.0882765 194 ILE A CD1 +1452 N N . CYS A 199 ? 1.18237 1.01339 1.11198 0.0380137 -0.0818208 0.0655239 195 CYS A N +1453 C CA . CYS A 199 ? 1.22562 1.07412 1.18463 0.0356731 -0.0643056 0.0601306 195 CYS A CA +1454 C C . CYS A 199 ? 1.16695 1.05345 1.16197 0.0218587 -0.0771295 0.0652794 195 CYS A C +1455 O O . CYS A 199 ? 1.0867 1.00591 1.1057 0.0214871 -0.0884257 0.0763501 195 CYS A O +1456 C CB . CYS A 199 ? 1.20564 1.06329 1.18315 0.0490519 -0.0408448 0.0601841 195 CYS A CB +1457 S SG . CYS A 199 ? 1.34756 1.24284 1.35907 0.0587157 -0.0431214 0.0717725 195 CYS A SG +1458 N N . ASN A 200 ? 1.24368 1.12665 1.24134 0.0110842 -0.0751462 0.05866 196 ASN A N +1459 C CA . ASN A 200 ? 1.2648 1.17958 1.29222 -0.00446166 -0.0869326 0.0639749 196 ASN A CA +1460 C C . ASN A 200 ? 1.20326 1.14471 1.26637 0.0012721 -0.0658768 0.0617997 196 ASN A C +1461 O O . ASN A 200 ? 1.28332 1.2064 1.338 0.00386316 -0.0506056 0.051721 196 ASN A O +1462 C CB . ASN A 200 ? 1.28018 1.16557 1.27882 -0.021518 -0.101962 0.0586362 196 ASN A CB +1463 C CG . ASN A 200 ? 1.45659 1.29561 1.40254 -0.0212669 -0.116732 0.0560526 196 ASN A CG +1464 O OD1 . ASN A 200 ? 1.54667 1.34883 1.45855 -0.00833351 -0.103069 0.047133 196 ASN A OD1 +1465 N ND2 . ASN A 200 ? 1.75728 1.59813 1.69481 -0.0351228 -0.144552 0.0649176 196 ASN A ND2 +1466 N N . VAL A 201 ? 1.14215 1.1272 1.24317 0.00433317 -0.0656978 0.0723893 197 VAL A N +1467 C CA . VAL A 201 ? 1.05429 1.06034 1.18323 0.0123769 -0.0463457 0.0708826 197 VAL A CA +1468 C C . VAL A 201 ? 1.06661 1.11136 1.22742 0.00038183 -0.0535125 0.0793022 197 VAL A C +1469 O O . VAL A 201 ? 1.06822 1.14617 1.24776 -0.00563598 -0.0690138 0.0935058 197 VAL A O +1470 C CB . VAL A 201 ? 1.08179 1.09897 1.22024 0.0328437 -0.0348764 0.0762907 197 VAL A CB +1471 C CG1 . VAL A 201 ? 1.10601 1.1447 1.26998 0.0422538 -0.0180763 0.07697 197 VAL A CG1 +1472 C CG2 . VAL A 201 ? 1.19575 1.1721 1.30201 0.0421517 -0.0257455 0.0684047 197 VAL A CG2 +1473 N N . ASN A 202 ? 1.0125 1.05468 1.1799 -0.00344681 -0.0421497 0.0718476 198 ASN A N +1474 C CA . ASN A 202 ? 1.01857 1.09706 1.21615 -0.0128971 -0.044702 0.0801789 198 ASN A CA +1475 C C . ASN A 202 ? 0.940718 1.03112 1.15562 0.00249316 -0.0220892 0.0771943 198 ASN A C +1476 O O . ASN A 202 ? 0.863257 0.924248 1.06221 0.00740945 -0.00906045 0.0641399 198 ASN A O +1477 C CB . ASN A 202 ? 1.21771 1.27637 1.39969 -0.0346941 -0.0571015 0.0752394 198 ASN A CB +1478 C CG . ASN A 202 ? 1.62075 1.71604 1.83267 -0.0479624 -0.0612223 0.085724 198 ASN A CG +1479 O OD1 . ASN A 202 ? 2.04154 2.18258 2.2881 -0.0396309 -0.0549091 0.0985364 198 ASN A OD1 +1480 N ND2 . ASN A 202 ? 1.95137 2.02604 2.14814 -0.066555 -0.0702813 0.0813822 198 ASN A ND2 +1481 N N . HIS A 203 ? 0.986519 1.12065 1.23261 0.0101727 -0.0181872 0.0906778 199 HIS A N +1482 C CA . HIS A 203 ? 0.962139 1.10629 1.22085 0.0227308 0.00099077 0.0889595 199 HIS A CA +1483 C C . HIS A 203 ? 1.06101 1.24326 1.34692 0.0104559 -0.00266153 0.0999101 199 HIS A C +1484 O O . HIS A 203 ? 1.12126 1.35133 1.43586 0.0145145 -0.00529434 0.118341 199 HIS A O +1485 C CB . HIS A 203 ? 0.92041 1.07877 1.18567 0.0491704 0.0131935 0.0964177 199 HIS A CB +1486 C CG . HIS A 203 ? 0.884575 1.03663 1.14845 0.0652691 0.0331076 0.0917508 199 HIS A CG +1487 N ND1 . HIS A 203 ? 0.840848 1.027 1.12286 0.0847751 0.0438197 0.104871 199 HIS A ND1 +1488 C CD2 . HIS A 203 ? 0.962487 1.07781 1.20687 0.0650349 0.0434997 0.0764041 199 HIS A CD2 +1489 C CE1 . HIS A 203 ? 0.883688 1.04612 1.15094 0.0971992 0.0600866 0.0959223 199 HIS A CE1 +1490 N NE2 . HIS A 203 ? 0.987955 1.10798 1.23359 0.0836724 0.0589139 0.0786151 199 HIS A NE2 +1491 N N . LYS A 204 ? 1.0628 1.22601 1.3402 -0.00390884 -0.00218478 0.0902184 200 LYS A N +1492 C CA . LYS A 204 ? 0.983642 1.17721 1.28257 -0.0190306 -0.00696665 0.100662 200 LYS A CA +1493 C C . LYS A 204 ? 0.846262 1.08061 1.17245 -0.00109575 0.0098835 0.112547 200 LYS A C +1494 O O . LYS A 204 ? 0.765861 1.04794 1.12157 -0.0082669 0.00449829 0.131729 200 LYS A O +1495 C CB . LYS A 204 ? 1.11626 1.27668 1.39593 -0.035624 -0.00933782 0.0878936 200 LYS A CB +1496 C CG . LYS A 204 ? 1.45286 1.57556 1.70267 -0.0517561 -0.0273019 0.0801651 200 LYS A CG +1497 C CD . LYS A 204 ? 1.58029 1.66619 1.80493 -0.0648905 -0.0302716 0.0685325 200 LYS A CD +1498 C CE . LYS A 204 ? 1.45266 1.49054 1.63773 -0.0669091 -0.0384734 0.0564675 200 LYS A CE +1499 N NZ . LYS A 204 ? 1.43662 1.44092 1.5974 -0.0718428 -0.0361108 0.0454168 200 LYS A NZ +1500 N N . PRO A 205 ? 0.783583 1.00092 1.09925 0.021918 0.0299816 0.103464 201 PRO A N +1501 C CA . PRO A 205 ? 0.722156 0.97145 1.05532 0.0416817 0.0467519 0.114536 201 PRO A CA +1502 C C . PRO A 205 ? 0.832553 1.13549 1.19378 0.0562764 0.0470391 0.137524 201 PRO A C +1503 O O . PRO A 205 ? 0.98345 1.32678 1.36605 0.0693616 0.0589364 0.152788 201 PRO A O +1504 C CB . PRO A 205 ? 0.75892 0.965189 1.0634 0.0625873 0.0636693 0.098477 201 PRO A CB +1505 C CG . PRO A 205 ? 0.80581 0.963865 1.08495 0.0466525 0.0565101 0.0788577 201 PRO A CG +1506 C CD . PRO A 205 ? 0.857566 1.02265 1.14154 0.0284909 0.037151 0.0831974 201 PRO A CD +1507 N N . SER A 206 ? 0.817118 1.12378 1.17879 0.0552209 0.0342041 0.141835 202 SER A N +1508 C CA . SER A 206 ? 0.82531 1.18717 1.21553 0.0685658 0.0319173 0.165394 202 SER A CA +1509 C C . SER A 206 ? 0.797967 1.18977 1.20806 0.0412292 0.00553547 0.178647 202 SER A C +1510 O O . SER A 206 ? 0.735523 1.17384 1.16964 0.0490017 -0.00094812 0.198704 202 SER A O +1511 C CB . SER A 206 ? 0.982058 1.32252 1.35235 0.0975699 0.040786 0.161449 202 SER A CB +1512 O OG . SER A 206 ? 0.947622 1.2405 1.29028 0.0862714 0.0290842 0.145421 202 SER A OG +1513 N N . ASN A 207 ? 0.877417 1.24013 1.27411 0.0101162 -0.0104319 0.167954 203 ASN A N +1514 C CA . ASN A 207 ? 0.944365 1.31626 1.34559 -0.0194951 -0.0388602 0.176437 203 ASN A CA +1515 C C . ASN A 207 ? 0.964443 1.33392 1.3578 -0.0101935 -0.0495777 0.179225 203 ASN A C +1516 O O . ASN A 207 ? 0.959667 1.37699 1.37913 -0.0172498 -0.0658078 0.200702 203 ASN A O +1517 C CB . ASN A 207 ? 0.985461 1.42054 1.42726 -0.0397622 -0.0504853 0.202582 203 ASN A CB +1518 C CG . ASN A 207 ? 1.07796 1.51005 1.5231 -0.0543329 -0.0436711 0.200323 203 ASN A CG +1519 O OD1 . ASN A 207 ? 1.01537 1.39259 1.42884 -0.0559109 -0.0364871 0.177653 203 ASN A OD1 +1520 N ND2 . ASN A 207 ? 1.32954 1.82377 1.8143 -0.0649913 -0.0457393 0.225681 203 ASN A ND2 +1521 N N . THR A 208 ? 0.945057 1.25916 1.30222 0.00348737 -0.0417063 0.15853 204 THR A N +1522 C CA . THR A 208 ? 1.02201 1.32329 1.36422 0.0137819 -0.0495473 0.158436 204 THR A CA +1523 C C . THR A 208 ? 1.03555 1.28235 1.34011 -0.00605119 -0.065586 0.1426 204 THR A C +1524 O O . THR A 208 ? 1.00332 1.20369 1.28129 -0.00702729 -0.0558516 0.123518 204 THR A O +1525 C CB . THR A 208 ? 1.09407 1.37202 1.42043 0.0464058 -0.0266907 0.149309 204 THR A CB +1526 O OG1 . THR A 208 ? 1.07193 1.38772 1.42269 0.0674083 -0.00855127 0.160599 204 THR A OG1 +1527 C CG2 . THR A 208 ? 1.18164 1.45388 1.49614 0.0599184 -0.0337099 0.153558 204 THR A CG2 +1528 N N . LYS A 209 ? 1.10287 1.35559 1.40335 -0.0198123 -0.0899294 0.151569 205 LYS A N +1529 C CA . LYS A 209 ? 1.1955 1.39192 1.45269 -0.0339754 -0.104681 0.137374 205 LYS A CA +1530 C C . LYS A 209 ? 1.08104 1.27626 1.32733 -0.0239133 -0.115546 0.143264 205 LYS A C +1531 O O . LYS A 209 ? 1.2195 1.45282 1.48485 -0.0338793 -0.136413 0.161529 205 LYS A O +1532 C CB . LYS A 209 ? 1.44443 1.63338 1.69382 -0.0675024 -0.128959 0.140431 205 LYS A CB +1533 C CG . LYS A 209 ? 1.68823 1.80962 1.89011 -0.0764279 -0.129252 0.119267 205 LYS A CG +1534 C CD . LYS A 209 ? 1.74311 1.83939 1.92061 -0.107799 -0.156671 0.120878 205 LYS A CD +1535 C CE . LYS A 209 ? 1.61836 1.68281 1.75921 -0.116072 -0.181463 0.121481 205 LYS A CE +1536 N NZ . LYS A 209 ? 1.55129 1.56406 1.64662 -0.141749 -0.205247 0.116204 205 LYS A NZ +1537 N N . VAL A 210 ? 0.946573 1.10058 1.16357 -0.0049578 -0.101707 0.129457 206 VAL A N +1538 C CA . VAL A 210 ? 1.02428 1.16835 1.22393 0.00577508 -0.110511 0.133298 206 VAL A CA +1539 C C . VAL A 210 ? 1.10536 1.18653 1.25417 -0.0020434 -0.117877 0.117834 206 VAL A C +1540 O O . VAL A 210 ? 1.01472 1.05804 1.1422 -0.00057959 -0.102862 0.101941 206 VAL A O +1541 C CB . VAL A 210 ? 1.06239 1.21003 1.26721 0.0368405 -0.0872687 0.133143 206 VAL A CB +1542 C CG1 . VAL A 210 ? 1.15913 1.29462 1.34424 0.0501217 -0.0948789 0.137687 206 VAL A CG1 +1543 C CG2 . VAL A 210 ? 1.10843 1.31215 1.35624 0.0500281 -0.0760868 0.147566 206 VAL A CG2 +1544 N N . ASP A 211 ? 1.18655 1.25825 1.31513 -0.00906834 -0.141138 0.123935 207 ASP A N +1545 C CA . ASP A 211 ? 1.24491 1.25571 1.31964 -0.011174 -0.147529 0.11136 207 ASP A CA +1546 C C . ASP A 211 ? 1.22326 1.22988 1.28625 0.00833429 -0.146599 0.116086 207 ASP A C +1547 O O . ASP A 211 ? 1.40466 1.43548 1.47501 0.00488962 -0.167914 0.130053 207 ASP A O +1548 C CB . ASP A 211 ? 1.31223 1.30118 1.35972 -0.0376063 -0.178312 0.112839 207 ASP A CB +1549 C CG . ASP A 211 ? 1.30842 1.27959 1.34817 -0.0573681 -0.181118 0.105223 207 ASP A CG +1550 O OD1 . ASP A 211 ? 1.18649 1.15275 1.2344 -0.0488085 -0.156502 0.0948083 207 ASP A OD1 +1551 O OD2 . ASP A 211 ? 1.31853 1.27752 1.34071 -0.0823197 -0.20978 0.110199 207 ASP A OD2 +1552 N N . LYS A 212 ? 1.19525 1.17385 1.24183 0.0279719 -0.122464 0.106162 208 LYS A N +1553 C CA . LYS A 212 ? 1.29613 1.26694 1.32976 0.0476538 -0.118622 0.110689 208 LYS A CA +1554 C C . LYS A 212 ? 1.35519 1.2693 1.33477 0.0488279 -0.121563 0.101672 208 LYS A C +1555 O O . LYS A 212 ? 1.42066 1.29979 1.37774 0.0496305 -0.105495 0.0891822 208 LYS A O +1556 C CB . LYS A 212 ? 1.4205 1.39655 1.46998 0.0682023 -0.0904362 0.108419 208 LYS A CB +1557 C CG . LYS A 212 ? 1.52221 1.50545 1.5705 0.0901974 -0.0880631 0.118443 208 LYS A CG +1558 C CD . LYS A 212 ? 1.51208 1.55067 1.5943 0.0963595 -0.102605 0.137163 208 LYS A CD +1559 C CE . LYS A 212 ? 1.68082 1.70973 1.74155 0.111283 -0.111953 0.145427 208 LYS A CE +1560 N NZ . LYS A 212 ? 1.76803 1.84758 1.85365 0.111679 -0.135119 0.164913 208 LYS A NZ +1561 N N . ARG A 213 ? 1.40662 1.31529 1.36644 0.0507375 -0.141558 0.109824 209 ARG A N +1562 C CA . ARG A 213 ? 1.44666 1.30225 1.35134 0.0549989 -0.146157 0.103984 209 ARG A CA +1563 C C . ARG A 213 ? 1.28711 1.12811 1.18189 0.0780777 -0.124144 0.103942 209 ARG A C +1564 O O . ARG A 213 ? 1.28773 1.1544 1.20114 0.0905431 -0.12556 0.114519 209 ARG A O +1565 C CB . ARG A 213 ? 1.59604 1.45097 1.48167 0.0453113 -0.180412 0.113577 209 ARG A CB +1566 C CG . ARG A 213 ? 1.66283 1.46043 1.48548 0.0514821 -0.188206 0.108894 209 ARG A CG +1567 C CD . ARG A 213 ? 1.70869 1.51379 1.51921 0.0495914 -0.218753 0.121675 209 ARG A CD +1568 N NE . ARG A 213 ? 1.85666 1.60219 1.60214 0.058963 -0.223071 0.116588 209 ARG A NE +1569 C CZ . ARG A 213 ? 2.03679 1.76838 1.75151 0.0590245 -0.249438 0.124379 209 ARG A CZ +1570 N NH1 . ARG A 213 ? 1.94427 1.72252 1.69038 0.0491813 -0.276984 0.139802 209 ARG A NH1 +1571 N NH2 . ARG A 213 ? 2.13418 1.80563 1.78497 0.0698209 -0.248259 0.117996 209 ARG A NH2 +1572 N N . VAL A 214 ? 1.24296 1.04252 1.10641 0.0838522 -0.104618 0.0937501 210 VAL A N +1573 C CA . VAL A 214 ? 1.25184 1.03323 1.10278 0.101567 -0.0838134 0.0947035 210 VAL A CA +1574 C C . VAL A 214 ? 1.35456 1.0986 1.15637 0.109695 -0.0930536 0.097449 210 VAL A C +1575 O O . VAL A 214 ? 1.34758 1.05466 1.10944 0.107344 -0.0927762 0.0911208 210 VAL A O +1576 C CB . VAL A 214 ? 1.12063 0.886477 0.971735 0.102173 -0.0561955 0.0860398 210 VAL A CB +1577 C CG1 . VAL A 214 ? 1.22444 0.975895 1.0686 0.116265 -0.0365896 0.089833 210 VAL A CG1 +1578 C CG2 . VAL A 214 ? 1.00944 0.806668 0.90231 0.092711 -0.0498335 0.0819572 210 VAL A CG2 +1579 N N . GLU A 215 ? 1.47681 1.22903 1.27898 0.122063 -0.0996731 0.107403 211 GLU A N +1580 C CA . GLU A 215 ? 1.69869 1.41582 1.45415 0.13192 -0.107787 0.111134 211 GLU A CA +1581 C C . GLU A 215 ? 1.79627 1.48784 1.53537 0.147621 -0.0813288 0.112051 211 GLU A C +1582 O O . GLU A 215 ? 1.73453 1.44277 1.50092 0.15474 -0.0671422 0.115201 211 GLU A O +1583 C CB . GLU A 215 ? 1.89343 1.63401 1.65482 0.134675 -0.135489 0.123025 211 GLU A CB +1584 C CG . GLU A 215 ? 1.95131 1.69981 1.7079 0.115121 -0.167547 0.12376 211 GLU A CG +1585 C CD . GLU A 215 ? 2.12253 1.88849 1.87542 0.115423 -0.199016 0.137199 211 GLU A CD +1586 O OE1 . GLU A 215 ? 2.31714 2.13804 2.11626 0.107749 -0.214662 0.148025 211 GLU A OE1 +1587 O OE2 . GLU A 215 ? 2.01087 1.7388 1.71555 0.122951 -0.20907 0.138446 211 GLU A OE2 +1588 N N . PRO A 216 ? 1.87269 1.52018 1.56309 0.153376 -0.0741839 0.110353 212 PRO A N +1589 C CA . PRO A 216 ? 1.86039 1.48302 1.53278 0.165621 -0.0504428 0.114146 212 PRO A CA +1590 C C . PRO A 216 ? 1.7931 1.41598 1.46188 0.180317 -0.0563534 0.124309 212 PRO A C +1591 O O . PRO A 216 ? 1.81163 1.44225 1.47295 0.183555 -0.0805185 0.129008 212 PRO A O +1592 C CB . PRO A 216 ? 1.93428 1.51414 1.55281 0.169192 -0.0458101 0.112168 212 PRO A CB +1593 C CG . PRO A 216 ? 1.91671 1.49569 1.52692 0.158018 -0.0623362 0.103936 212 PRO A CG +1594 C CD . PRO A 216 ? 1.88546 1.50162 1.53148 0.148738 -0.088285 0.105693 212 PRO A CD +1595 N N . LYS A 217 ? 1.80703 1.41971 1.47848 0.188738 -0.036125 0.128552 213 LYS A N +1596 C CA . LYS A 217 ? 1.78669 1.39413 1.44982 0.205817 -0.0403591 0.138413 213 LYS A CA +1597 C C . LYS A 217 ? 1.64614 1.20811 1.25769 0.216874 -0.0341499 0.144562 213 LYS A C +1598 O O . LYS A 217 ? 1.49092 1.02756 1.07686 0.211179 -0.0213497 0.141852 213 LYS A O +1599 C CB . LYS A 217 ? 1.76343 1.38227 1.45494 0.211069 -0.0265296 0.140344 213 LYS A CB +1600 C CG . LYS A 217 ? 1.77687 1.44428 1.51145 0.213617 -0.0407446 0.141807 213 LYS A CG +1601 C CD . LYS A 217 ? 1.71129 1.387 1.46133 0.230443 -0.0328838 0.147758 213 LYS A CD +1602 C CE . LYS A 217 ? 1.64591 1.37653 1.43763 0.234302 -0.047673 0.152126 213 LYS A CE +1603 N NZ . LYS A 217 ? 1.62617 1.36462 1.42913 0.255312 -0.0383671 0.158555 213 LYS A NZ +1604 N N . ASP B 1 ? 1.32982 0.951744 1.01608 0.00512714 -0.0919708 -0.0376589 1 ASP B N +1605 C CA . ASP B 1 ? 1.29692 0.883297 0.964286 -0.00286346 -0.108391 -0.0425162 1 ASP B CA +1606 C C . ASP B 1 ? 1.44654 1.04203 1.14247 -0.0229902 -0.122663 -0.0362067 1 ASP B C +1607 O O . ASP B 1 ? 1.6216 1.18942 1.30277 -0.0323489 -0.138637 -0.0380535 1 ASP B O +1608 C CB . ASP B 1 ? 1.21526 0.764558 0.834617 0.00308343 -0.116243 -0.0498446 1 ASP B CB +1609 C CG . ASP B 1 ? 1.22704 0.735304 0.823405 -0.00447237 -0.133789 -0.0549378 1 ASP B CG +1610 O OD1 . ASP B 1 ? 1.08466 0.580511 0.678198 0.00084752 -0.130997 -0.0580232 1 ASP B OD1 +1611 O OD2 . ASP B 1 ? 1.31162 0.803516 0.897191 -0.0172852 -0.150798 -0.0543192 1 ASP B OD2 +1612 N N . ILE B 2 ? 1.43065 1.06281 1.166 -0.0295872 -0.118026 -0.0282006 2 ILE B N +1613 C CA . ILE B 2 ? 1.34405 0.987624 1.10944 -0.0449163 -0.128069 -0.0214594 2 ILE B CA +1614 C C . ILE B 2 ? 1.2956 0.945592 1.07855 -0.0426723 -0.121322 -0.0208832 2 ILE B C +1615 O O . ILE B 2 ? 1.30571 0.977648 1.10492 -0.0342222 -0.106693 -0.0198426 2 ILE B O +1616 C CB . ILE B 2 ? 1.23424 0.911419 1.03215 -0.0516666 -0.126903 -0.0131011 2 ILE B CB +1617 C CG1 . ILE B 2 ? 1.32733 1.00119 1.11079 -0.0539415 -0.132944 -0.0127125 2 ILE B CG1 +1618 C CG2 . ILE B 2 ? 1.12831 0.818309 0.956111 -0.0650638 -0.136134 -0.00521655 2 ILE B CG2 +1619 C CD1 . ILE B 2 ? 1.39264 1.09736 1.20669 -0.0596937 -0.132387 -0.00441735 2 ILE B CD1 +1620 N N . VAL B 3 ? 1.2449 0.875899 1.02486 -0.0513194 -0.133037 -0.0206028 3 VAL B N +1621 C CA . VAL B 3 ? 1.24713 0.879268 1.03876 -0.0490652 -0.127809 -0.0204655 3 VAL B CA +1622 C C . VAL B 3 ? 1.29963 0.958537 1.13047 -0.0609028 -0.130759 -0.0105753 3 VAL B C +1623 O O . VAL B 3 ? 1.40816 1.068 1.24758 -0.0744034 -0.144394 -0.00432438 3 VAL B O +1624 C CB . VAL B 3 ? 1.19013 0.780873 0.949435 -0.0491624 -0.138113 -0.0265892 3 VAL B CB +1625 C CG1 . VAL B 3 ? 1.16013 0.750779 0.931849 -0.048262 -0.134376 -0.0255731 3 VAL B CG1 +1626 C CG2 . VAL B 3 ? 1.22539 0.790191 0.943592 -0.0337256 -0.133008 -0.0365158 3 VAL B CG2 +1627 N N . MET B 4 ? 1.24037 0.921056 1.09404 -0.0551704 -0.117937 -0.00856674 4 MET B N +1628 C CA . MET B 4 ? 1.19858 0.905497 1.08759 -0.0630462 -0.118044 0.00055631 4 MET B CA +1629 C C . MET B 4 ? 1.16295 0.860476 1.05515 -0.0649795 -0.119233 0.00133945 4 MET B C +1630 O O . MET B 4 ? 1.24069 0.93027 1.12307 -0.0545443 -0.109751 -0.00439336 4 MET B O +1631 C CB . MET B 4 ? 1.1777 0.91585 1.08936 -0.0552662 -0.10339 0.00274015 4 MET B CB +1632 C CG . MET B 4 ? 1.07351 0.819134 0.979074 -0.050914 -0.0998442 0.00118023 4 MET B CG +1633 S SD . MET B 4 ? 1.17351 0.919166 1.08043 -0.0632316 -0.115148 0.00646139 4 MET B SD +1634 C CE . MET B 4 ? 1.26887 1.0461 1.21587 -0.0697659 -0.115442 0.017783 4 MET B CE +1635 N N . THR B 5 ? 1.12685 0.826743 1.03356 -0.0784616 -0.131058 0.00962728 5 THR B N +1636 C CA . THR B 5 ? 1.13322 0.82484 1.04431 -0.082615 -0.134112 0.0123319 5 THR B CA +1637 C C . THR B 5 ? 1.10011 0.82559 1.04885 -0.0886033 -0.131415 0.0240646 5 THR B C +1638 O O . THR B 5 ? 1.05741 0.796858 1.02222 -0.09952 -0.140694 0.0336443 5 THR B O +1639 C CB . THR B 5 ? 1.15488 0.812806 1.04402 -0.0944524 -0.153234 0.012745 5 THR B CB +1640 O OG1 . THR B 5 ? 1.25632 0.882418 1.10758 -0.0868022 -0.155156 0.00149149 5 THR B OG1 +1641 C CG2 . THR B 5 ? 1.20506 0.848402 1.09304 -0.0976027 -0.156573 0.0143268 5 THR B CG2 +1642 N N . GLN B 6 ? 1.02842 0.766321 0.990079 -0.0812784 -0.119304 0.024064 6 GLN B N +1643 C CA . GLN B 6 ? 1.02174 0.790598 1.01591 -0.0844909 -0.115243 0.0347113 6 GLN B CA +1644 C C . GLN B 6 ? 1.00954 0.771431 1.00932 -0.094082 -0.123332 0.0416875 6 GLN B C +1645 O O . GLN B 6 ? 1.14849 0.88054 1.12612 -0.0945791 -0.128372 0.0358203 6 GLN B O +1646 C CB . GLN B 6 ? 1.0397 0.827082 1.04472 -0.0714403 -0.098075 0.0315971 6 GLN B CB +1647 C CG . GLN B 6 ? 1.02754 0.830264 1.03619 -0.0646538 -0.0911948 0.0293541 6 GLN B CG +1648 C CD . GLN B 6 ? 1.03693 0.852412 1.05209 -0.0530404 -0.0765875 0.0261122 6 GLN B CD +1649 O OE1 . GLN B 6 ? 1.09893 0.909696 1.10185 -0.0452647 -0.0703032 0.0193001 6 GLN B OE1 +1650 N NE2 . GLN B 6 ? 1.02845 0.860561 1.06258 -0.0520304 -0.0714922 0.0318698 6 GLN B NE2 +1651 N N . SER B 7 ? 1.0873 0.876685 1.11583 -0.100835 -0.12433 0.0547365 7 SER B N +1652 C CA . SER B 7 ? 1.13712 0.926261 1.17557 -0.109554 -0.129958 0.0636041 7 SER B CA +1653 C C . SER B 7 ? 1.07852 0.90711 1.15043 -0.108419 -0.12164 0.0760184 7 SER B C +1654 O O . SER B 7 ? 1.02297 0.876688 1.11152 -0.107846 -0.119975 0.0824356 7 SER B O +1655 C CB . SER B 7 ? 1.27208 1.04233 1.30273 -0.126812 -0.15047 0.0704991 7 SER B CB +1656 O OG . SER B 7 ? 1.41042 1.20495 1.46109 -0.135906 -0.157691 0.0825534 7 SER B OG +1657 N N . PRO B 8 ? 1.04892 0.884246 1.1308 -0.107037 -0.115979 0.0802196 8 PRO B N +1658 C CA . PRO B 8 ? 1.0604 0.867127 1.12351 -0.106004 -0.116783 0.07286 8 PRO B CA +1659 C C . PRO B 8 ? 1.06326 0.858191 1.10973 -0.0903677 -0.103687 0.0580904 8 PRO B C +1660 O O . PRO B 8 ? 1.05478 0.864926 1.10562 -0.081065 -0.0938398 0.0540622 8 PRO B O +1661 C CB . PRO B 8 ? 1.01877 0.846099 1.10447 -0.109712 -0.113987 0.0853258 8 PRO B CB +1662 C CG . PRO B 8 ? 0.957369 0.822333 1.06669 -0.101548 -0.101735 0.0911475 8 PRO B CG +1663 C CD . PRO B 8 ? 0.982086 0.853486 1.09353 -0.106029 -0.108875 0.093438 8 PRO B CD +1664 N N . ASP B 9 ? 1.15759 0.925734 1.18527 -0.0877194 -0.104283 0.0511607 9 ASP B N +1665 C CA . ASP B 9 ? 1.20248 0.96363 1.21792 -0.0728368 -0.0913627 0.0398773 9 ASP B CA +1666 C C . ASP B 9 ? 1.19374 0.982473 1.23058 -0.0658193 -0.077983 0.0438473 9 ASP B C +1667 O O . ASP B 9 ? 1.20862 1.00438 1.24386 -0.0544389 -0.0665973 0.0374414 9 ASP B O +1668 C CB . ASP B 9 ? 1.29903 1.02485 1.28829 -0.0700779 -0.0952327 0.0321297 9 ASP B CB +1669 C CG . ASP B 9 ? 1.50056 1.19585 1.45947 -0.0682645 -0.102508 0.0226495 9 ASP B CG +1670 O OD1 . ASP B 9 ? 1.57389 1.27099 1.53265 -0.0757532 -0.110737 0.0248569 9 ASP B OD1 +1671 O OD2 . ASP B 9 ? 1.6704 1.34114 1.60534 -0.0581526 -0.0993103 0.0133339 9 ASP B OD2 +1672 N N . SER B 10 ? 1.19231 0.995893 1.24795 -0.0728503 -0.0799905 0.0550635 10 SER B N +1673 C CA . SER B 10 ? 1.20188 1.02923 1.27532 -0.066376 -0.0683236 0.0595927 10 SER B CA +1674 C C . SER B 10 ? 1.13269 0.986587 1.23046 -0.0745628 -0.0713595 0.0746642 10 SER B C +1675 O O . SER B 10 ? 1.40297 1.25219 1.50377 -0.0874658 -0.0837129 0.0829054 10 SER B O +1676 C CB . SER B 10 ? 1.27547 1.08867 1.3415 -0.0628932 -0.0650117 0.0568229 10 SER B CB +1677 O OG . SER B 10 ? 1.40475 1.2391 1.48467 -0.0552581 -0.0532265 0.0596382 10 SER B OG +1678 N N . LEU B 11 ? 1.05409 0.935365 1.16824 -0.0667292 -0.0603853 0.0790652 11 LEU B N +1679 C CA . LEU B 11 ? 0.996591 0.907748 1.13386 -0.0705184 -0.0605156 0.0937063 11 LEU B CA +1680 C C . LEU B 11 ? 1.0509 0.982232 1.19885 -0.0599725 -0.0474368 0.0971092 11 LEU B C +1681 O O . LEU B 11 ? 1.24817 1.18121 1.39053 -0.0480082 -0.0378811 0.0889511 11 LEU B O +1682 C CB . LEU B 11 ? 1.03539 0.957114 1.17589 -0.0690522 -0.0618717 0.0934023 11 LEU B CB +1683 C CG . LEU B 11 ? 1.15511 1.11056 1.31897 -0.0691968 -0.0603501 0.107954 11 LEU B CG +1684 C CD1 . LEU B 11 ? 1.26664 1.23111 1.44489 -0.0844313 -0.0717263 0.123642 11 LEU B CD1 +1685 C CD2 . LEU B 11 ? 1.21075 1.17171 1.37358 -0.0652396 -0.060775 0.104678 11 LEU B CD2 +1686 N N . ALA B 12 ? 1.10096 1.04738 1.26347 -0.0646161 -0.0475477 0.109919 12 ALA B N +1687 C CA . ALA B 12 ? 1.17411 1.14017 1.34538 -0.0540844 -0.0352279 0.114166 12 ALA B CA +1688 C C . ALA B 12 ? 1.14722 1.14762 1.3403 -0.0537042 -0.0329595 0.130393 12 ALA B C +1689 O O . ALA B 12 ? 1.18409 1.19602 1.39127 -0.0657216 -0.0409719 0.144497 12 ALA B O +1690 C CB . ALA B 12 ? 1.3796 1.33653 1.54839 -0.056451 -0.0343079 0.115648 12 ALA B CB +1691 N N . VAL B 13 ? 1.11077 1.12704 1.30573 -0.0394813 -0.0224635 0.128958 13 VAL B N +1692 C CA . VAL B 13 ? 1.09376 1.14333 1.30727 -0.0348641 -0.018305 0.143629 13 VAL B CA +1693 C C . VAL B 13 ? 1.00209 1.06488 1.21447 -0.0184328 -0.00432568 0.144506 13 VAL B C +1694 O O . VAL B 13 ? 0.906261 0.95197 1.10188 -0.00891118 0.0013341 0.131044 13 VAL B O +1695 C CB . VAL B 13 ? 1.21203 1.26501 1.4256 -0.0324794 -0.0211335 0.140899 13 VAL B CB +1696 C CG1 . VAL B 13 ? 1.19815 1.28589 1.42909 -0.0234481 -0.0148152 0.155169 13 VAL B CG1 +1697 C CG2 . VAL B 13 ? 1.41714 1.45602 1.6298 -0.0488619 -0.0357932 0.140439 13 VAL B CG2 +1698 N N . SER B 14 ? 1.03808 1.13163 1.26778 -0.0152212 0.00072079 0.161321 14 SER B N +1699 C CA . SER B 14 ? 1.01113 1.11839 1.23845 0.00141597 0.0141004 0.163948 14 SER B CA +1700 C C . SER B 14 ? 0.97278 1.07927 1.18869 0.0188307 0.0213165 0.155656 14 SER B C +1701 O O . SER B 14 ? 1.00938 1.11766 1.22785 0.0180349 0.0169575 0.154525 14 SER B O +1702 C CB . SER B 14 ? 1.1028 1.24604 1.35228 0.00072051 0.0176168 0.185919 14 SER B CB +1703 O OG . SER B 14 ? 1.11043 1.25077 1.36637 -0.0133733 0.0122654 0.192798 14 SER B OG +1704 N N . LEU B 15 ? 0.957125 1.06022 1.1595 0.0345756 0.0316131 0.150694 15 LEU B N +1705 C CA . LEU B 15 ? 0.917708 1.01727 1.106 0.0523754 0.0379987 0.143689 15 LEU B CA +1706 C C . LEU B 15 ? 0.916534 1.04565 1.11949 0.060231 0.0411215 0.15716 15 LEU B C +1707 O O . LEU B 15 ? 0.943146 1.10156 1.16166 0.0635784 0.0467077 0.173572 15 LEU B O +1708 C CB . LEU B 15 ? 0.923371 1.01742 1.09496 0.0684097 0.0479751 0.13999 15 LEU B CB +1709 C CG . LEU B 15 ? 1.08237 1.14287 1.23145 0.0684 0.0459717 0.122749 15 LEU B CG +1710 C CD1 . LEU B 15 ? 1.19694 1.25518 1.32983 0.0850568 0.0552485 0.122031 15 LEU B CD1 +1711 C CD2 . LEU B 15 ? 1.12615 1.16635 1.26297 0.0688587 0.0404555 0.110056 15 LEU B CD2 +1712 N N . GLY B 16 ? 1.00031 1.12239 1.19765 0.0644295 0.0381552 0.150742 16 GLY B N +1713 C CA . GLY B 16 ? 1.09666 1.2449 1.30516 0.0751893 0.0418007 0.162273 16 GLY B CA +1714 C C . GLY B 16 ? 0.990838 1.15945 1.22418 0.0592735 0.0328223 0.17479 16 GLY B C +1715 O O . GLY B 16 ? 1.07183 1.26187 1.31632 0.0657447 0.0337183 0.184347 16 GLY B O +1716 N N . GLU B 17 ? 1.00569 1.16632 1.24644 0.0387064 0.0234417 0.175061 17 GLU B N +1717 C CA . GLU B 17 ? 1.07369 1.25021 1.33587 0.0214234 0.0127017 0.187634 17 GLU B CA +1718 C C . GLU B 17 ? 0.950053 1.10172 1.2027 0.0118154 0.00184819 0.174735 17 GLU B C +1719 O O . GLU B 17 ? 0.728788 0.852057 0.960043 0.0167851 0.00272705 0.156943 17 GLU B O +1720 C CB . GLU B 17 ? 1.15431 1.33702 1.42883 0.0057587 0.00816891 0.197892 17 GLU B CB +1721 C CG . GLU B 17 ? 1.24339 1.46122 1.53373 0.0144341 0.0184085 0.21661 17 GLU B CG +1722 C CD . GLU B 17 ? 1.41382 1.67341 1.72532 0.0239153 0.0233083 0.236088 17 GLU B CD +1723 O OE1 . GLU B 17 ? 1.23306 1.51737 1.54768 0.0425238 0.0368341 0.245535 17 GLU B OE1 +1724 O OE2 . GLU B 17 ? 1.64832 1.91699 1.9731 0.0136805 0.0135748 0.242674 17 GLU B OE2 +1725 N N . ARG B 18 ? 0.955164 1.11896 1.22422 -0.0026073 -0.00902939 0.185257 18 ARG B N +1726 C CA . ARG B 18 ? 0.971181 1.11689 1.23282 -0.0103334 -0.0191326 0.176066 18 ARG B CA +1727 C C . ARG B 18 ? 0.825379 0.938294 1.0738 -0.0268142 -0.029578 0.164325 18 ARG B C +1728 O O . ARG B 18 ? 0.945284 1.05945 1.20191 -0.0406628 -0.0363397 0.172323 18 ARG B O +1729 C CB . ARG B 18 ? 1.05286 1.22621 1.337 -0.0181683 -0.0270212 0.19345 18 ARG B CB +1730 C CG . ARG B 18 ? 1.11415 1.27251 1.39256 -0.0269106 -0.0385208 0.186792 18 ARG B CG +1731 C CD . ARG B 18 ? 1.25633 1.43346 1.55576 -0.0446365 -0.0520672 0.204207 18 ARG B CD +1732 N NE . ARG B 18 ? 1.37813 1.5374 1.67507 -0.0645174 -0.063483 0.204508 18 ARG B NE +1733 C CZ . ARG B 18 ? 1.38697 1.56248 1.70013 -0.0748827 -0.0667676 0.220196 18 ARG B CZ +1734 N NH1 . ARG B 18 ? 1.38831 1.538 1.69244 -0.091986 -0.0783383 0.21652 18 ARG B NH1 +1735 N NH2 . ARG B 18 ? 1.3286 1.54465 1.66521 -0.0674656 -0.0584917 0.239449 18 ARG B NH2 +1736 N N . ALA B 19 ? 0.74865 0.833164 0.97659 -0.0248907 -0.0312439 0.146682 19 ALA B N +1737 C CA . ALA B 19 ? 0.762116 0.815138 0.974659 -0.0374247 -0.0403949 0.134738 19 ALA B CA +1738 C C . ALA B 19 ? 0.794078 0.839057 1.00309 -0.0449323 -0.0507388 0.132031 19 ALA B C +1739 O O . ALA B 19 ? 0.823155 0.875568 1.03226 -0.0362861 -0.0479927 0.130791 19 ALA B O +1740 C CB . ALA B 19 ? 0.781135 0.809362 0.972527 -0.0289479 -0.0334875 0.117648 19 ALA B CB +1741 N N . THR B 20 ? 0.89127 0.917979 1.09444 -0.0606766 -0.0631851 0.1305 20 THR B N +1742 C CA . THR B 20 ? 0.879737 0.897082 1.07813 -0.0699281 -0.0750148 0.129107 20 THR B CA +1743 C C . THR B 20 ? 0.907465 0.887761 1.0815 -0.0769524 -0.0816692 0.114704 20 THR B C +1744 O O . THR B 20 ? 1.28099 1.24785 1.45069 -0.0851187 -0.0863815 0.115178 20 THR B O +1745 C CB . THR B 20 ? 0.828708 0.866542 1.0476 -0.0836991 -0.0865754 0.147681 20 THR B CB +1746 O OG1 . THR B 20 ? 0.827661 0.902072 1.06815 -0.0733668 -0.0781356 0.160716 20 THR B OG1 +1747 C CG2 . THR B 20 ? 0.800025 0.822775 1.01085 -0.0962768 -0.101746 0.146133 20 THR B CG2 +1748 N N . ILE B 21 ? 0.974087 0.938188 1.13173 -0.073155 -0.082091 0.102746 21 ILE B N +1749 C CA . ILE B 21 ? 1.08105 1.01185 1.214 -0.0771848 -0.0872143 0.0894461 21 ILE B CA +1750 C C . ILE B 21 ? 1.02373 0.945412 1.14882 -0.0851608 -0.0989704 0.0887995 21 ILE B C +1751 O O . ILE B 21 ? 0.874182 0.809124 1.00487 -0.0803431 -0.0970941 0.0901389 21 ILE B O +1752 C CB . ILE B 21 ? 1.1573 1.07675 1.27556 -0.0641356 -0.0754198 0.0756036 21 ILE B CB +1753 C CG1 . ILE B 21 ? 1.21147 1.13964 1.33679 -0.0564093 -0.0646103 0.0765858 21 ILE B CG1 +1754 C CG2 . ILE B 21 ? 1.13609 1.02444 1.22925 -0.0663941 -0.0794583 0.0633254 21 ILE B CG2 +1755 C CD1 . ILE B 21 ? 1.29618 1.2202 1.4121 -0.0436915 -0.0535922 0.0665363 21 ILE B CD1 +1756 N N . ASN B 22 ? 1.10216 0.998575 1.21176 -0.096644 -0.111366 0.0862141 22 ASN B N +1757 C CA . ASN B 22 ? 1.13925 1.02264 1.23744 -0.105146 -0.124178 0.0852453 22 ASN B CA +1758 C C . ASN B 22 ? 1.11728 0.970708 1.18555 -0.0992778 -0.12228 0.0688372 22 ASN B C +1759 O O . ASN B 22 ? 1.06255 0.899903 1.1176 -0.0933855 -0.115873 0.0601671 22 ASN B O +1760 C CB . ASN B 22 ? 1.18437 1.05957 1.28422 -0.122669 -0.141648 0.0953277 22 ASN B CB +1761 C CG . ASN B 22 ? 1.25407 1.1647 1.38655 -0.128252 -0.142771 0.114233 22 ASN B CG +1762 O OD1 . ASN B 22 ? 1.3185 1.25738 1.46976 -0.125112 -0.140192 0.122739 22 ASN B OD1 +1763 N ND2 . ASN B 22 ? 1.31418 1.22501 1.45391 -0.135393 -0.145844 0.121728 22 ASN B ND2 +1764 N N . CYS B 23 ? 1.07147 0.920268 1.13049 -0.100244 -0.127334 0.0659221 23 CYS B N +1765 C CA . CYS B 23 ? 1.08089 0.904827 1.11193 -0.0945554 -0.125753 0.052336 23 CYS B CA +1766 C C . CYS B 23 ? 1.08981 0.89899 1.10697 -0.104476 -0.140849 0.053095 23 CYS B C +1767 O O . CYS B 23 ? 1.05074 0.877863 1.08127 -0.107655 -0.144701 0.0601887 23 CYS B O +1768 C CB . CYS B 23 ? 1.08761 0.925244 1.12181 -0.0814262 -0.111918 0.0471022 23 CYS B CB +1769 S SG . CYS B 23 ? 1.03741 0.853062 1.04178 -0.0754651 -0.11054 0.034538 23 CYS B SG +1770 N N . LYS B 24 ? 1.17854 0.953746 1.16746 -0.108554 -0.14956 0.0458234 24 LYS B N +1771 C CA . LYS B 24 ? 1.24187 0.996309 1.21195 -0.118663 -0.165911 0.0457511 24 LYS B CA +1772 C C . LYS B 24 ? 1.25643 0.986848 1.19409 -0.109122 -0.162057 0.0320357 24 LYS B C +1773 O O . LYS B 24 ? 1.31527 1.02448 1.23155 -0.10064 -0.155985 0.0222283 24 LYS B O +1774 C CB . LYS B 24 ? 1.33476 1.06681 1.29632 -0.132416 -0.182089 0.0502944 24 LYS B CB +1775 C CG . LYS B 24 ? 1.64348 1.35029 1.5834 -0.144844 -0.202026 0.0510359 24 LYS B CG +1776 C CD . LYS B 24 ? 1.78255 1.48027 1.72755 -0.163944 -0.221931 0.0629396 24 LYS B CD +1777 C CE . LYS B 24 ? 1.83314 1.57235 1.8195 -0.174417 -0.225626 0.081931 24 LYS B CE +1778 N NZ . LYS B 24 ? 1.82306 1.55365 1.81034 -0.195362 -0.249434 0.0946427 24 LYS B NZ +1779 N N . SER B 25 ? 1.1907 0.926199 1.12537 -0.110104 -0.165485 0.0325074 25 SER B N +1780 C CA . SER B 25 ? 1.17087 0.888514 1.07702 -0.10184 -0.162283 0.0219771 25 SER B CA +1781 C C . SER B 25 ? 1.24521 0.927116 1.11913 -0.110331 -0.179661 0.0185712 25 SER B C +1782 O O . SER B 25 ? 1.40268 1.08484 1.28405 -0.124781 -0.195558 0.0273211 25 SER B O +1783 C CB . SER B 25 ? 1.16058 0.902889 1.08129 -0.099095 -0.157576 0.0254121 25 SER B CB +1784 O OG . SER B 25 ? 1.49918 1.22567 1.39292 -0.0933102 -0.156577 0.0174082 25 SER B OG +1785 N N . SER B 26 ? 1.26679 0.918437 1.10432 -0.101055 -0.177079 0.00670183 26 SER B N +1786 C CA . SER B 26 ? 1.38889 1.00067 1.189 -0.106801 -0.193468 0.00176527 26 SER B CA +1787 C C . SER B 26 ? 1.38909 1.00115 1.1816 -0.112734 -0.203025 0.00394956 26 SER B C +1788 O O . SER B 26 ? 1.49848 1.07951 1.26346 -0.121125 -0.220234 0.00233679 26 SER B O +1789 C CB . SER B 26 ? 1.46431 1.04406 1.22576 -0.0921326 -0.186468 -0.0113894 26 SER B CB +1790 O OG . SER B 26 ? 1.44622 1.03559 1.19872 -0.0781774 -0.172302 -0.0169237 26 SER B OG +1791 N N . GLN B 27 ? 1.37109 1.01476 1.18461 -0.107986 -0.192559 0.00712438 27 GLN B N +1792 C CA . GLN B 27 ? 1.43244 1.08095 1.2434 -0.113463 -0.200711 0.0105408 27 GLN B CA +1793 C C . GLN B 27 ? 1.46224 1.15322 1.31528 -0.115931 -0.195207 0.0212488 27 GLN B C +1794 O O . GLN B 27 ? 1.50733 1.22153 1.3841 -0.108751 -0.181079 0.0227065 27 GLN B O +1795 C CB . GLN B 27 ? 1.51169 1.14853 1.2936 -0.100719 -0.192105 0.00106262 27 GLN B CB +1796 C CG . GLN B 27 ? 1.59665 1.19189 1.33342 -0.0933389 -0.19426 -0.0103548 27 GLN B CG +1797 C CD . GLN B 27 ? 1.66593 1.25578 1.37692 -0.0784316 -0.182638 -0.018013 27 GLN B CD +1798 O OE1 . GLN B 27 ? 1.64561 1.25649 1.36691 -0.0775382 -0.178369 -0.0145336 27 GLN B OE1 +1799 N NE2 . GLN B 27 ? 1.75116 1.31337 1.42853 -0.0660448 -0.177252 -0.027652 27 GLN B NE2 +1800 N N . SER B 28 A 1.47746 1.17701 1.33762 -0.125257 -0.206726 0.0286748 27 SER B N +1801 C CA . SER B 28 A 1.34345 1.08098 1.24112 -0.126946 -0.203325 0.0396009 27 SER B CA +1802 C C . SER B 28 A 1.34766 1.10207 1.25056 -0.113177 -0.186302 0.0354822 27 SER B C +1803 O O . SER B 28 A 1.27781 1.0241 1.16205 -0.109915 -0.186383 0.0312881 27 SER B O +1804 C CB . SER B 28 A 1.29634 1.03718 1.19824 -0.139916 -0.22069 0.0489129 27 SER B CB +1805 O OG . SER B 28 A 1.28639 1.06459 1.2249 -0.139953 -0.217167 0.0603654 27 SER B OG +1806 N N . VAL B 29 B 1.36947 1.14727 1.29763 -0.105839 -0.172732 0.0376586 27 VAL B N +1807 C CA . VAL B 29 B 1.28885 1.08212 1.22356 -0.0942989 -0.158307 0.0351615 27 VAL B CA +1808 C C . VAL B 29 B 1.22731 1.04676 1.18742 -0.0955641 -0.159993 0.0448467 27 VAL B C +1809 O O . VAL B 29 B 1.07153 0.907492 1.04528 -0.0869345 -0.149022 0.0455169 27 VAL B O +1810 C CB . VAL B 29 B 1.25441 1.05458 1.19763 -0.0846842 -0.14319 0.031283 27 VAL B CB +1811 C CG1 . VAL B 29 B 1.18054 0.956533 1.09613 -0.0792081 -0.138336 0.0210227 27 VAL B CG1 +1812 C CG2 . VAL B 29 B 1.40346 1.21877 1.37255 -0.0879775 -0.143171 0.0382587 27 VAL B CG2 +1813 N N . LEU B 30 C 1.28885 1.1105 1.2537 -0.106097 -0.174509 0.0526146 27 LEU B N +1814 C CA . LEU B 30 C 1.258 1.1031 1.24439 -0.106917 -0.177678 0.0625057 27 LEU B CA +1815 C C . LEU B 30 C 1.30988 1.14583 1.27748 -0.10562 -0.180272 0.0589022 27 LEU B C +1816 O O . LEU B 30 C 1.40365 1.22078 1.35022 -0.113403 -0.191913 0.0571123 27 LEU B O +1817 C CB . LEU B 30 C 1.21333 1.06809 1.21599 -0.119449 -0.19246 0.0746105 27 LEU B CB +1818 C CG . LEU B 30 C 1.24159 1.1193 1.26417 -0.121706 -0.199098 0.0864855 27 LEU B CG +1819 C CD1 . LEU B 30 C 1.33704 1.24046 1.38283 -0.108975 -0.185928 0.0903039 27 LEU B CD1 +1820 C CD2 . LEU B 30 C 1.21943 1.10995 1.26048 -0.134754 -0.213699 0.100547 27 LEU B CD2 +1821 N N . TYR B 31 D 1.2425 1.09012 1.2161 -0.0962536 -0.170444 0.0582495 27 TYR B N +1822 C CA . TYR B 31 D 1.32785 1.16933 1.28592 -0.0954329 -0.172962 0.0565872 27 TYR B CA +1823 C C . TYR B 31 D 1.32198 1.17781 1.29527 -0.100926 -0.183977 0.0671891 27 TYR B C +1824 O O . TYR B 31 D 1.14711 1.02461 1.14518 -0.0962111 -0.180528 0.0744857 27 TYR B O +1825 C CB . TYR B 31 D 1.38517 1.23183 1.34293 -0.0846132 -0.159468 0.0527316 27 TYR B CB +1826 C CG . TYR B 31 D 1.2362 1.07421 1.17383 -0.0832719 -0.159805 0.0500725 27 TYR B CG +1827 C CD1 . TYR B 31 D 1.25503 1.07336 1.16483 -0.0874157 -0.165691 0.0452809 27 TYR B CD1 +1828 C CD2 . TYR B 31 D 1.12965 0.977895 1.07439 -0.0774136 -0.154297 0.0526208 27 TYR B CD2 +1829 C CE1 . TYR B 31 D 1.40623 1.21864 1.29753 -0.0854455 -0.164953 0.0437918 27 TYR B CE1 +1830 C CE2 . TYR B 31 D 1.36281 1.20467 1.29021 -0.0768066 -0.154442 0.0515577 27 TYR B CE2 +1831 C CZ . TYR B 31 D 1.51063 1.33624 1.41208 -0.0806866 -0.159254 0.0475216 27 TYR B CZ +1832 O OH . TYR B 31 D 1.64644 1.46836 1.53165 -0.0795584 -0.158795 0.0478329 27 TYR B OH +1833 N N . SER B 32 E 1.42165 1.26475 1.37881 -0.110068 -0.197395 0.0682748 27 SER B N +1834 C CA . SER B 32 E 1.52013 1.37724 1.49312 -0.117468 -0.210199 0.0798762 27 SER B CA +1835 C C . SER B 32 E 1.50331 1.37483 1.48562 -0.110204 -0.206345 0.0838679 27 SER B C +1836 O O . SER B 32 E 1.68959 1.58231 1.69564 -0.109934 -0.210295 0.0946688 27 SER B O +1837 C CB . SER B 32 E 1.54966 1.38707 1.50094 -0.129634 -0.226571 0.0798642 27 SER B CB +1838 O OG . SER B 32 E 1.71885 1.53634 1.6396 -0.12619 -0.22432 0.0707702 27 SER B OG +1839 N N . SER B 33 F 1.42789 1.28817 1.39138 -0.103836 -0.198504 0.075893 27 SER B N +1840 C CA . SER B 33 F 1.49219 1.3615 1.4605 -0.0971323 -0.194803 0.0787345 27 SER B CA +1841 C C . SER B 33 F 1.55683 1.44793 1.55362 -0.0884722 -0.188223 0.0852114 27 SER B C +1842 O O . SER B 33 F 1.59314 1.49611 1.60169 -0.0864228 -0.192823 0.0931156 27 SER B O +1843 C CB . SER B 33 F 1.42159 1.27726 1.36783 -0.0920291 -0.185729 0.0700085 27 SER B CB +1844 O OG . SER B 33 F 1.41572 1.27814 1.3657 -0.0866213 -0.182902 0.0732138 27 SER B OG +1845 N N . ASN B 34 ? 1.4676 1.36313 1.47395 -0.0822575 -0.177561 0.0820609 28 ASN B N +1846 C CA . ASN B 34 ? 1.19047 1.10348 1.21915 -0.0721842 -0.170701 0.0872479 28 ASN B CA +1847 C C . ASN B 34 ? 1.15719 1.0847 1.20626 -0.0722526 -0.169204 0.0921898 28 ASN B C +1848 O O . ASN B 34 ? 1.10249 1.04376 1.16799 -0.0623844 -0.161798 0.0957374 28 ASN B O +1849 C CB . ASN B 34 ? 1.14587 1.05225 1.16784 -0.0628846 -0.158925 0.0804443 28 ASN B CB +1850 C CG . ASN B 34 ? 1.11941 1.01421 1.1295 -0.064158 -0.151552 0.0714074 28 ASN B CG +1851 O OD1 . ASN B 34 ? 1.1705 1.06104 1.17745 -0.0707013 -0.154542 0.0696007 28 ASN B OD1 +1852 N ND2 . ASN B 34 ? 1.15247 1.04119 1.15511 -0.058265 -0.142749 0.0662525 28 ASN B ND2 +1853 N N . ASN B 35 ? 1.29239 1.21581 1.33901 -0.0832848 -0.1769 0.0930256 29 ASN B N +1854 C CA . ASN B 35 ? 1.29437 1.23182 1.36035 -0.0864178 -0.17797 0.0997668 29 ASN B CA +1855 C C . ASN B 35 ? 1.23796 1.17594 1.30796 -0.0786222 -0.164758 0.094248 29 ASN B C +1856 O O . ASN B 35 ? 1.31452 1.26689 1.40245 -0.079357 -0.163842 0.100773 29 ASN B O +1857 C CB . ASN B 35 ? 1.26004 1.2255 1.35371 -0.0839935 -0.181929 0.114614 29 ASN B CB +1858 C CG . ASN B 35 ? 1.40761 1.37835 1.5068 -0.0983427 -0.198144 0.124478 29 ASN B CG +1859 O OD1 . ASN B 35 ? 1.73913 1.70096 1.82627 -0.104555 -0.208169 0.124768 29 ASN B OD1 +1860 N ND2 . ASN B 35 ? 1.54063 1.52616 1.65812 -0.104472 -0.201746 0.133672 29 ASN B ND2 +1861 N N . LYS B 36 ? 1.2238 1.14716 1.27761 -0.072241 -0.155394 0.0835008 30 LYS B N +1862 C CA . LYS B 36 ? 1.23042 1.15264 1.28615 -0.0654394 -0.143601 0.0779996 30 LYS B CA +1863 C C . LYS B 36 ? 1.30844 1.21365 1.34911 -0.0723152 -0.143866 0.0704711 30 LYS B C +1864 O O . LYS B 36 ? 1.37559 1.26281 1.39456 -0.0772464 -0.148015 0.064366 30 LYS B O +1865 C CB . LYS B 36 ? 1.20652 1.12188 1.25275 -0.0559948 -0.134722 0.0717029 30 LYS B CB +1866 C CG . LYS B 36 ? 1.30682 1.23381 1.36478 -0.0457657 -0.131919 0.0770077 30 LYS B CG +1867 C CD . LYS B 36 ? 1.49811 1.41304 1.54297 -0.0392431 -0.125179 0.0703487 30 LYS B CD +1868 C CE . LYS B 36 ? 1.56018 1.47818 1.60911 -0.029145 -0.124023 0.0738883 30 LYS B CE +1869 N NZ . LYS B 36 ? 1.66756 1.59865 1.73255 -0.0195078 -0.118887 0.0782876 30 LYS B NZ +1870 N N . ASN B 37 ? 1.1687 1.07896 1.21963 -0.0715368 -0.139126 0.0710801 31 ASN B N +1871 C CA . ASN B 37 ? 1.10161 0.99477 1.13837 -0.0760848 -0.138443 0.06386 31 ASN B CA +1872 C C . ASN B 37 ? 1.0583 0.944228 1.08604 -0.0669801 -0.125579 0.0549521 31 ASN B C +1873 O O . ASN B 37 ? 1.00337 0.901111 1.04457 -0.0591525 -0.117072 0.0564953 31 ASN B O +1874 C CB . ASN B 37 ? 1.10038 1.00221 1.1528 -0.0808769 -0.140635 0.0699538 31 ASN B CB +1875 C CG . ASN B 37 ? 1.11159 1.02622 1.17838 -0.090407 -0.153448 0.0819738 31 ASN B CG +1876 O OD1 . ASN B 37 ? 1.22431 1.1251 1.28009 -0.102143 -0.165691 0.0825064 31 ASN B OD1 +1877 N ND2 . ASN B 37 ? 1.21166 1.15242 1.30263 -0.0851796 -0.151081 0.0923763 31 ASN B ND2 +1878 N N . TYR B 38 ? 1.04683 0.913706 1.05122 -0.0675833 -0.124378 0.046384 32 TYR B N +1879 C CA . TYR B 38 ? 1.01393 0.876675 1.01047 -0.0594888 -0.112907 0.0398459 32 TYR B CA +1880 C C . TYR B 38 ? 1.05387 0.912102 1.05085 -0.0578092 -0.106873 0.0360794 32 TYR B C +1881 O O . TYR B 38 ? 1.09159 0.934065 1.07025 -0.0579724 -0.105653 0.0297342 32 TYR B O +1882 C CB . TYR B 38 ? 0.942128 0.792148 0.91595 -0.0589893 -0.11289 0.0348099 32 TYR B CB +1883 C CG . TYR B 38 ? 1.00448 0.862724 0.982291 -0.0581111 -0.115546 0.0392658 32 TYR B CG +1884 C CD1 . TYR B 38 ? 0.985402 0.851548 0.97027 -0.0515658 -0.108627 0.0404032 32 TYR B CD1 +1885 C CD2 . TYR B 38 ? 0.946301 0.803993 0.921967 -0.0641696 -0.126186 0.0432265 32 TYR B CD2 +1886 C CE1 . TYR B 38 ? 0.932258 0.803602 0.92031 -0.0505224 -0.11199 0.0447959 32 TYR B CE1 +1887 C CE2 . TYR B 38 ? 0.991017 0.856334 0.971457 -0.0628299 -0.128822 0.0478652 32 TYR B CE2 +1888 C CZ . TYR B 38 ? 1.0086 0.88009 0.994906 -0.0557246 -0.121669 0.0485106 32 TYR B CZ +1889 O OH . TYR B 38 ? 0.955519 0.831233 0.944228 -0.05413 -0.125009 0.0529483 32 TYR B OH +1890 N N . LEU B 39 ? 1.15769 1.02961 1.17431 -0.054801 -0.102511 0.0401361 33 LEU B N +1891 C CA . LEU B 39 ? 1.08063 0.94988 1.09988 -0.0537096 -0.09739 0.037844 33 LEU B CA +1892 C C . LEU B 39 ? 1.05337 0.934969 1.0861 -0.045342 -0.0875549 0.0389958 33 LEU B C +1893 O O . LEU B 39 ? 0.955981 0.852061 1.00386 -0.0423573 -0.087461 0.0450754 33 LEU B O +1894 C CB . LEU B 39 ? 1.02727 0.899178 1.05632 -0.0617913 -0.105436 0.0436254 33 LEU B CB +1895 C CG . LEU B 39 ? 1.00643 0.871053 1.03423 -0.0622314 -0.102007 0.0409517 33 LEU B CG +1896 C CD1 . LEU B 39 ? 1.1243 0.966453 1.13255 -0.0703299 -0.111629 0.0373162 33 LEU B CD1 +1897 C CD2 . LEU B 39 ? 1.044 0.92702 1.09529 -0.062497 -0.100308 0.0493207 33 LEU B CD2 +1898 N N . ALA B 40 ? 1.19662 1.07186 1.22291 -0.0410623 -0.0796594 0.0335485 34 ALA B N +1899 C CA . ALA B 40 ? 1.18678 1.07003 1.22184 -0.0335898 -0.07122 0.0338639 34 ALA B CA +1900 C C . ALA B 40 ? 1.12175 1.0054 1.1626 -0.0328776 -0.0668459 0.03338 34 ALA B C +1901 O O . ALA B 40 ? 1.22157 1.09539 1.25545 -0.0372396 -0.0690308 0.0309125 34 ALA B O +1902 C CB . ALA B 40 ? 1.28531 1.16291 1.30893 -0.0295791 -0.0663225 0.0296228 34 ALA B CB +1903 N N . TRP B 41 ? 0.97 0.863238 1.02177 -0.02681 -0.0610305 0.0357286 35 TRP B N +1904 C CA . TRP B 41 ? 0.903921 0.798798 0.961486 -0.0253079 -0.0561597 0.0358363 35 TRP B CA +1905 C C . TRP B 41 ? 0.863436 0.756787 0.917752 -0.0182024 -0.0484709 0.0325607 35 TRP B C +1906 O O . TRP B 41 ? 1.10168 0.998825 1.15746 -0.0131127 -0.0471987 0.0338328 35 TRP B O +1907 C CB . TRP B 41 ? 0.853517 0.763848 0.928605 -0.0249039 -0.05703 0.043945 35 TRP B CB +1908 C CG . TRP B 41 ? 0.888952 0.801971 0.97008 -0.0342143 -0.0653234 0.0492553 35 TRP B CG +1909 C CD1 . TRP B 41 ? 0.961771 0.883523 1.05011 -0.0383444 -0.0726659 0.0556232 35 TRP B CD1 +1910 C CD2 . TRP B 41 ? 0.906359 0.812219 0.986475 -0.0414029 -0.0685447 0.0496086 35 TRP B CD2 +1911 N NE1 . TRP B 41 ? 1.03592 0.957326 1.12856 -0.048553 -0.0808266 0.0605805 35 TRP B NE1 +1912 C CE2 . TRP B 41 ? 0.941385 0.851338 1.02788 -0.050793 -0.0788821 0.0566456 35 TRP B CE2 +1913 C CE3 . TRP B 41 ? 1.001 0.896387 1.07481 -0.0409999 -0.0645602 0.0451169 35 TRP B CE3 +1914 C CZ2 . TRP B 41 ? 0.955968 0.857645 1.04132 -0.0606843 -0.0863966 0.0592376 35 TRP B CZ2 +1915 C CZ3 . TRP B 41 ? 1.15614 1.04311 1.22855 -0.049472 -0.0710609 0.0470996 35 TRP B CZ3 +1916 C CH2 . TRP B 41 ? 1.07554 0.964616 1.15305 -0.0596113 -0.0823093 0.0540468 35 TRP B CH2 +1917 N N . TYR B 42 ? 0.833422 0.720277 0.882873 -0.0178736 -0.0442303 0.0289259 36 TYR B N +1918 C CA . TYR B 42 ? 0.787193 0.673684 0.835124 -0.0123136 -0.0378586 0.0271413 36 TYR B CA +1919 C C . TYR B 42 ? 0.866961 0.756554 0.922287 -0.0103831 -0.033635 0.0283946 36 TYR B C +1920 O O . TYR B 42 ? 0.838982 0.727543 0.897453 -0.0143027 -0.0351658 0.0293765 36 TYR B O +1921 C CB . TYR B 42 ? 0.799685 0.678008 0.83536 -0.0126586 -0.0358442 0.0229035 36 TYR B CB +1922 C CG . TYR B 42 ? 0.831758 0.707805 0.859277 -0.0146919 -0.0395748 0.022443 36 TYR B CG +1923 C CD1 . TYR B 42 ? 0.833708 0.703999 0.85398 -0.0188314 -0.0440825 0.0209518 36 TYR B CD1 +1924 C CD2 . TYR B 42 ? 1.01988 0.897993 1.0455 -0.0129357 -0.039478 0.0239046 36 TYR B CD2 +1925 C CE1 . TYR B 42 ? 0.928827 0.797226 0.940725 -0.0204299 -0.0472913 0.020837 36 TYR B CE1 +1926 C CE2 . TYR B 42 ? 1.07174 0.948487 1.09038 -0.0152446 -0.0431145 0.0245078 36 TYR B CE2 +1927 C CZ . TYR B 42 ? 0.98815 0.860962 1.00026 -0.0186542 -0.0464933 0.0229457 36 TYR B CZ +1928 O OH . TYR B 42 ? 1.16993 1.04158 1.17419 -0.020668 -0.0498245 0.0238154 36 TYR B OH +1929 N N . GLN B 43 ? 0.981506 0.873322 1.03813 -0.00470986 -0.0291586 0.0286721 37 GLN B N +1930 C CA . GLN B 43 ? 0.89165 0.785536 0.95293 -0.00194609 -0.0244327 0.0295351 37 GLN B CA +1931 C C . GLN B 43 ? 0.852582 0.739926 0.906346 -0.00065961 -0.0210343 0.0261091 37 GLN B C +1932 O O . GLN B 43 ? 0.954298 0.839519 1.00265 0.00093766 -0.0214341 0.0254863 37 GLN B O +1933 C CB . GLN B 43 ? 0.945214 0.845738 1.01118 0.00479445 -0.0225072 0.0329027 37 GLN B CB +1934 C CG . GLN B 43 ? 0.972389 0.875383 1.04161 0.00893102 -0.0173208 0.0342705 37 GLN B CG +1935 C CD . GLN B 43 ? 1.07571 0.97934 1.14182 0.0177462 -0.0152624 0.035635 37 GLN B CD +1936 O OE1 . GLN B 43 ? 0.932126 0.826747 0.988234 0.0199868 -0.0171819 0.0329623 37 GLN B OE1 +1937 N NE2 . GLN B 43 ? 1.20618 1.11996 1.27974 0.0229515 -0.0119915 0.0405468 37 GLN B NE2 +1938 N N . GLN B 44 ? 0.892991 0.777422 0.946666 -0.00151229 -0.018284 0.0248996 38 GLN B N +1939 C CA . GLN B 44 ? 0.997435 0.878555 1.04588 0.00060279 -0.0146447 0.0231315 38 GLN B CA +1940 C C . GLN B 44 ? 0.990051 0.872267 1.04299 0.00307335 -0.0107396 0.0242795 38 GLN B C +1941 O O . GLN B 44 ? 0.755711 0.635407 0.810404 0.00179773 -0.00976801 0.0240607 38 GLN B O +1942 C CB . GLN B 44 ? 1.02138 0.896683 1.06163 -0.0006424 -0.0142101 0.0202974 38 GLN B CB +1943 C CG . GLN B 44 ? 1.01482 0.89144 1.05152 0.00241072 -0.0101329 0.0206585 38 GLN B CG +1944 C CD . GLN B 44 ? 1.07635 0.948436 1.10435 0.00441076 -0.00759998 0.0185549 38 GLN B CD +1945 O OE1 . GLN B 44 ? 1.08362 0.946818 1.10661 0.00452728 -0.00811364 0.0156563 38 GLN B OE1 +1946 N NE2 . GLN B 44 ? 1.01818 0.895949 1.04325 0.00646973 -0.00512149 0.0207844 38 GLN B NE2 +1947 N N . LYS B 45 ? 1.20549 1.08951 1.25847 0.00646889 -0.0093177 0.0256367 39 LYS B N +1948 C CA . LYS B 45 ? 1.09403 0.978662 1.14951 0.00916696 -0.00585143 0.0268911 39 LYS B CA +1949 C C . LYS B 45 ? 1.11678 0.998998 1.16916 0.00900398 -0.00363627 0.0260276 39 LYS B C +1950 O O . LYS B 45 ? 1.06377 0.945771 1.11192 0.00796246 -0.00450064 0.0255344 39 LYS B O +1951 C CB . LYS B 45 ? 1.07027 0.954653 1.12311 0.0133481 -0.00645088 0.0283357 39 LYS B CB +1952 C CG . LYS B 45 ? 1.15809 1.04686 1.21435 0.0166784 -0.00671093 0.0302753 39 LYS B CG +1953 C CD . LYS B 45 ? 1.31937 1.20345 1.36764 0.02233 -0.00871892 0.0304593 39 LYS B CD +1954 C CE . LYS B 45 ? 1.30199 1.19165 1.35265 0.0296142 -0.0059738 0.0334206 39 LYS B CE +1955 N NZ . LYS B 45 ? 1.29223 1.18712 1.34745 0.0319375 -0.00096169 0.0358717 39 LYS B NZ +1956 N N . PRO B 46 ? 1.302 1.1838 1.35675 0.010539 -0.00046643 0.0268071 40 PRO B N +1957 C CA . PRO B 46 ? 1.26344 1.14428 1.31594 0.0116666 0.00204339 0.0267859 40 PRO B CA +1958 C C . PRO B 46 ? 1.31355 1.19797 1.36379 0.0118757 0.00118062 0.0292184 40 PRO B C +1959 O O . PRO B 46 ? 1.55986 1.44403 1.60943 0.0118453 -0.00102922 0.0310578 40 PRO B O +1960 C CB . PRO B 46 ? 1.44161 1.32144 1.49767 0.0133242 0.0047696 0.0279955 40 PRO B CB +1961 C CG . PRO B 46 ? 1.54824 1.43053 1.60774 0.0137109 0.00408539 0.0296348 40 PRO B CG +1962 C CD . PRO B 46 ? 1.48034 1.36399 1.54026 0.0118544 0.00114289 0.0287578 40 PRO B CD +1963 N N . GLY B 47 ? 1.3825 1.26982 1.43049 0.0122171 0.00248314 0.0299327 41 GLY B N +1964 C CA . GLY B 47 ? 1.4105 1.30471 1.45873 0.011441 0.00163022 0.0347803 41 GLY B CA +1965 C C . GLY B 47 ? 1.34954 1.24412 1.39525 0.00743169 -0.0037466 0.0363306 41 GLY B C +1966 O O . GLY B 47 ? 1.62798 1.52742 1.67393 0.00473757 -0.00664935 0.0416881 41 GLY B O +1967 N N . GLN B 48 ? 1.14245 1.03207 1.186 0.00659935 -0.00576161 0.0325866 42 GLN B N +1968 C CA . GLN B 48 ? 1.08784 0.975588 1.128 0.00359767 -0.0112383 0.0336504 42 GLN B CA +1969 C C . GLN B 48 ? 1.11625 1.00494 1.1542 0.00243944 -0.0114628 0.0317336 42 GLN B C +1970 O O . GLN B 48 ? 1.14869 1.03514 1.18683 0.00372319 -0.00933013 0.027979 42 GLN B O +1971 C CB . GLN B 48 ? 1.09372 0.974462 1.13235 0.00520559 -0.0139135 0.0317384 42 GLN B CB +1972 C CG . GLN B 48 ? 1.1713 1.04817 1.20784 0.00652779 -0.0151507 0.033659 42 GLN B CG +1973 C CD . GLN B 48 ? 1.3465 1.21626 1.37899 0.0108506 -0.0163009 0.0316436 42 GLN B CD +1974 O OE1 . GLN B 48 ? 1.39446 1.26167 1.42459 0.0122442 -0.0183944 0.0302854 42 GLN B OE1 +1975 N NE2 . GLN B 48 ? 1.37968 1.24718 1.41118 0.0139996 -0.0143726 0.0319485 42 GLN B NE2 +1976 N N . PRO B 49 ? 1.03678 0.927739 1.07173 -0.00079386 -0.0151795 0.034874 43 PRO B N +1977 C CA . PRO B 49 ? 0.960169 0.851527 0.991626 -0.00206177 -0.0160948 0.0334612 43 PRO B CA +1978 C C . PRO B 49 ? 0.992208 0.877382 1.02363 -0.00185087 -0.0187045 0.0293452 43 PRO B C +1979 O O . PRO B 49 ? 0.904737 0.786154 0.937645 -0.00065665 -0.0209363 0.0290775 43 PRO B O +1980 C CB . PRO B 49 ? 0.846579 0.741307 0.875808 -0.00635829 -0.0208352 0.0392238 43 PRO B CB +1981 C CG . PRO B 49 ? 0.839444 0.729422 0.869145 -0.00785021 -0.0252874 0.0417996 43 PRO B CG +1982 C CD . PRO B 49 ? 0.959154 0.851269 0.993152 -0.00437644 -0.0200352 0.0407037 43 PRO B CD +1983 N N . PRO B 50 ? 0.963405 0.847653 0.992361 -0.00247407 -0.0186749 0.0267101 44 PRO B N +1984 C CA . PRO B 50 ? 1.03089 0.912135 1.06205 -0.00299858 -0.0216181 0.0245429 44 PRO B CA +1985 C C . PRO B 50 ? 0.993221 0.873347 1.02438 -0.00326902 -0.026549 0.0263646 44 PRO B C +1986 O O . PRO B 50 ? 1.02752 0.906613 1.05467 -0.00471355 -0.0293179 0.0288993 44 PRO B O +1987 C CB . PRO B 50 ? 1.13908 1.0181 1.16474 -0.00486995 -0.0223883 0.0222784 44 PRO B CB +1988 C CG . PRO B 50 ? 1.12058 1 1.14053 -0.00263069 -0.0175286 0.0219139 44 PRO B CG +1989 C CD . PRO B 50 ? 0.989717 0.875759 1.01269 -0.00208572 -0.0160028 0.0263628 44 PRO B CD +1990 N N . LYS B 51 ? 0.927099 0.807522 0.962671 -0.00168183 -0.028006 0.0259365 45 LYS B N +1991 C CA . LYS B 51 ? 0.921873 0.800415 0.956529 0.00072441 -0.0319648 0.0275465 45 LYS B CA +1992 C C . LYS B 51 ? 0.891021 0.773186 0.929406 -0.00037318 -0.0347427 0.028054 45 LYS B C +1993 O O . LYS B 51 ? 0.95884 0.846143 1.00456 -0.00031489 -0.03334 0.0286084 45 LYS B O +1994 C CB . LYS B 51 ? 1.0679 0.945639 1.10474 0.00682743 -0.0299028 0.0282004 45 LYS B CB +1995 C CG . LYS B 51 ? 1.14587 1.02013 1.17952 0.0125876 -0.0330977 0.0296151 45 LYS B CG +1996 C CD . LYS B 51 ? 1.14132 1.01366 1.17364 0.0207343 -0.0300818 0.0301275 45 LYS B CD +1997 C CE . LYS B 51 ? 1.26604 1.13433 1.29316 0.0290047 -0.0324252 0.0314726 45 LYS B CE +1998 N NZ . LYS B 51 ? 1.44523 1.30197 1.46077 0.0369713 -0.0322371 0.0306581 45 LYS B NZ +1999 N N . LEU B 52 ? 0.909256 0.789139 0.943133 -0.00187299 -0.0394958 0.0289874 46 LEU B N +2000 C CA . LEU B 52 ? 0.951695 0.835408 0.989234 -0.00282425 -0.043163 0.0304012 46 LEU B CA +2001 C C . LEU B 52 ? 0.924379 0.813431 0.969355 0.00370656 -0.0427328 0.0333055 46 LEU B C +2002 O O . LEU B 52 ? 0.953808 0.83842 0.994854 0.0102572 -0.0424594 0.033851 46 LEU B O +2003 C CB . LEU B 52 ? 1.02541 0.904994 1.05567 -0.00537313 -0.0483339 0.0312104 46 LEU B CB +2004 C CG . LEU B 52 ? 1.207 1.09031 1.24029 -0.00684322 -0.053096 0.0331275 46 LEU B CG +2005 C CD1 . LEU B 52 ? 1.17317 1.05907 1.20789 -0.0126627 -0.0537416 0.031906 46 LEU B CD1 +2006 C CD2 . LEU B 52 ? 1.26921 1.14708 1.29441 -0.00830171 -0.0583787 0.0344977 46 LEU B CD2 +2007 N N . LEU B 53 ? 0.891607 0.789947 0.946311 0.00205566 -0.0432259 0.0359252 47 LEU B N +2008 C CA . LEU B 53 ? 0.870192 0.779181 0.934924 0.00824054 -0.0421265 0.0410494 47 LEU B CA +2009 C C . LEU B 53 ? 0.872058 0.787072 0.940935 0.00725674 -0.0476631 0.0450215 47 LEU B C +2010 O O . LEU B 53 ? 1.00241 0.919476 1.07127 0.0153625 -0.0480505 0.04781 47 LEU B O +2011 C CB . LEU B 53 ? 0.897543 0.816121 0.9733 0.0059066 -0.0390945 0.043863 47 LEU B CB +2012 C CG . LEU B 53 ? 0.882372 0.796416 0.955662 0.00672784 -0.0336521 0.0407711 47 LEU B CG +2013 C CD1 . LEU B 53 ? 0.875506 0.798738 0.96001 0.00309308 -0.0323138 0.0447781 47 LEU B CD1 +2014 C CD2 . LEU B 53 ? 0.968244 0.879856 1.03698 0.016794 -0.0296767 0.0406334 47 LEU B CD2 +2015 N N . ILE B 54 ? 0.887274 0.804078 0.958554 -0.00192607 -0.0522301 0.0454846 48 ILE B N +2016 C CA . ILE B 54 ? 0.961122 0.885497 1.03833 -0.00473305 -0.0585165 0.0504565 48 ILE B CA +2017 C C . ILE B 54 ? 1.03228 0.945958 1.09811 -0.0125579 -0.0639854 0.0463707 48 ILE B C +2018 O O . ILE B 54 ? 1.03845 0.943086 1.09585 -0.0174159 -0.0629819 0.0413442 48 ILE B O +2019 C CB . ILE B 54 ? 0.91445 0.852645 1.00637 -0.00970947 -0.0607717 0.0572861 48 ILE B CB +2020 C CG1 . ILE B 54 ? 0.970628 0.921916 1.07459 -0.00292112 -0.0543498 0.0625143 48 ILE B CG1 +2021 C CG2 . ILE B 54 ? 0.829936 0.77772 0.929226 -0.0127852 -0.0681752 0.0639561 48 ILE B CG2 +2022 C CD1 . ILE B 54 ? 0.968527 0.929176 1.07654 0.0102547 -0.050466 0.0670096 48 ILE B CD1 +2023 N N . TYR B 55 ? 1.07729 0.992364 1.14221 -0.0127289 -0.0694593 0.0490016 49 TYR B N +2024 C CA . TYR B 55 ? 1.05842 0.965203 1.11275 -0.0200339 -0.0751731 0.0464884 49 TYR B CA +2025 C C . TYR B 55 ? 1.13931 1.05469 1.20109 -0.0229491 -0.082768 0.0527717 49 TYR B C +2026 O O . TYR B 55 ? 0.994533 0.922919 1.0694 -0.0174015 -0.082559 0.0592676 49 TYR B O +2027 C CB . TYR B 55 ? 1.00199 0.898525 1.04342 -0.0180309 -0.0742467 0.0428092 49 TYR B CB +2028 C CG . TYR B 55 ? 1.00742 0.904013 1.04928 -0.0109562 -0.0757015 0.045734 49 TYR B CG +2029 C CD1 . TYR B 55 ? 1.02786 0.923382 1.07123 -0.00226148 -0.071308 0.0458053 49 TYR B CD1 +2030 C CD2 . TYR B 55 ? 1.01442 0.909038 1.05208 -0.012517 -0.0819946 0.0480272 49 TYR B CD2 +2031 C CE1 . TYR B 55 ? 1.02884 0.91967 1.06842 0.00542043 -0.0735087 0.0478275 49 TYR B CE1 +2032 C CE2 . TYR B 55 ? 0.969343 0.860726 1.00507 -0.00544702 -0.0840975 0.0505127 49 TYR B CE2 +2033 C CZ . TYR B 55 ? 0.924104 0.81246 0.959925 0.00388344 -0.0800316 0.0501949 49 TYR B CZ +2034 O OH . TYR B 55 ? 0.866465 0.746921 0.896345 0.0122482 -0.0825642 0.0518375 49 TYR B OH +2035 N N . TRP B 56 ? 1.28756 1.19607 1.34031 -0.0310919 -0.089339 0.0513308 50 TRP B N +2036 C CA . TRP B 56 ? 1.16665 1.08197 1.22513 -0.0361432 -0.0983032 0.0574619 50 TRP B CA +2037 C C . TRP B 56 ? 0.93598 0.865388 1.0117 -0.0390687 -0.100637 0.0647884 50 TRP B C +2038 O O . TRP B 56 ? 1.00561 0.950009 1.09515 -0.0386064 -0.10509 0.0736449 50 TRP B O +2039 C CB . TRP B 56 ? 1.2377 1.15815 1.29893 -0.0300402 -0.100265 0.0614954 50 TRP B CB +2040 C CG . TRP B 56 ? 1.32524 1.2327 1.3703 -0.0296395 -0.100629 0.0567322 50 TRP B CG +2041 C CD1 . TRP B 56 ? 1.49762 1.39283 1.52663 -0.0352215 -0.100916 0.0510697 50 TRP B CD1 +2042 C CD2 . TRP B 56 ? 1.24147 1.14747 1.28474 -0.0226614 -0.100955 0.0585699 50 TRP B CD2 +2043 N NE1 . TRP B 56 ? 1.44765 1.33679 1.46726 -0.0333097 -0.101205 0.0503909 50 TRP B NE1 +2044 C CE2 . TRP B 56 ? 1.30961 1.20347 1.33716 -0.0264125 -0.10211 0.0546713 50 TRP B CE2 +2045 C CE3 . TRP B 56 ? 1.13247 1.04541 1.18458 -0.0128272 -0.100385 0.0634917 50 TRP B CE3 +2046 C CZ2 . TRP B 56 ? 1.4168 1.30446 1.43803 -0.0227109 -0.103987 0.055927 50 TRP B CZ2 +2047 C CZ3 . TRP B 56 ? 1.24121 1.14496 1.2845 -0.00782657 -0.102334 0.0634242 50 TRP B CZ3 +2048 C CH2 . TRP B 56 ? 1.47509 1.366 1.50359 -0.0137012 -0.10473 0.0598747 50 TRP B CH2 +2049 N N . ALA B 57 ? 0.914209 0.839632 0.989507 -0.0420856 -0.0976635 0.0620497 51 ALA B N +2050 C CA . ALA B 57 ? 0.98812 0.924786 1.07825 -0.0469918 -0.100277 0.0691885 51 ALA B CA +2051 C C . ALA B 57 ? 1.02953 0.986359 1.13854 -0.0376307 -0.0930302 0.0764116 51 ALA B C +2052 O O . ALA B 57 ? 1.04547 1.00728 1.16209 -0.0386897 -0.0897841 0.0786086 51 ALA B O +2053 C CB . ALA B 57 ? 0.999633 0.940161 1.09406 -0.0577595 -0.112823 0.0763278 51 ALA B CB +2054 N N . SER B 58 ? 0.959383 0.92728 1.07494 -0.0280749 -0.0908391 0.0806945 52 SER B N +2055 C CA . SER B 58 ? 0.88938 0.876879 1.02097 -0.0171933 -0.0841182 0.0885906 52 SER B CA +2056 C C . SER B 58 ? 0.9096 0.892518 1.03374 -0.00244826 -0.0770947 0.0847322 52 SER B C +2057 O O . SER B 58 ? 0.940603 0.934665 1.07232 0.00880108 -0.0699955 0.08893 52 SER B O +2058 C CB . SER B 58 ? 0.912735 0.924747 1.06476 -0.0190006 -0.0896319 0.102891 52 SER B CB +2059 O OG . SER B 58 ? 1.08055 1.09094 1.23013 -0.0241918 -0.0988655 0.104849 52 SER B OG +2060 N N . THR B 59 ? 0.961036 0.926802 1.0692 -0.00236263 -0.0794068 0.0773535 53 THR B N +2061 C CA . THR B 59 ? 1.02112 0.978706 1.11999 0.0100282 -0.0754041 0.0742645 53 THR B CA +2062 C C . THR B 59 ? 1.00503 0.951065 1.09467 0.0144484 -0.0679621 0.0671431 53 THR B C +2063 O O . THR B 59 ? 1.06992 1.00374 1.15032 0.00684632 -0.0677421 0.0602499 53 THR B O +2064 C CB . THR B 59 ? 1.05445 0.998077 1.14011 0.00650134 -0.0817079 0.0704184 53 THR B CB +2065 O OG1 . THR B 59 ? 1.09347 1.04898 1.1883 0.00504245 -0.0883121 0.0780998 53 THR B OG1 +2066 C CG2 . THR B 59 ? 1.0574 0.987705 1.13057 0.0169861 -0.0798113 0.0670756 53 THR B CG2 +2067 N N . ARG B 60 ? 0.914757 0.864304 1.00555 0.0278898 -0.0619753 0.0692039 54 ARG B N +2068 C CA . ARG B 60 ? 0.891777 0.83279 0.975533 0.0323283 -0.0553006 0.0640658 54 ARG B CA +2069 C C . ARG B 60 ? 0.918828 0.837602 0.983407 0.0359607 -0.0565122 0.0570415 54 ARG B C +2070 O O . ARG B 60 ? 1.10343 1.01608 1.16113 0.0444103 -0.0590995 0.0583046 54 ARG B O +2071 C CB . ARG B 60 ? 0.915755 0.871194 1.00827 0.0456159 -0.0485126 0.0704557 54 ARG B CB +2072 C CG . ARG B 60 ? 0.943807 0.897599 1.03512 0.0470716 -0.0416182 0.0676435 54 ARG B CG +2073 C CD . ARG B 60 ? 0.978481 0.953804 1.08334 0.0574374 -0.0349961 0.0768471 54 ARG B CD +2074 N NE . ARG B 60 ? 1.08078 1.05287 1.17641 0.075734 -0.0315847 0.0782525 54 ARG B NE +2075 C CZ . ARG B 60 ? 1.07598 1.06578 1.18102 0.0866744 -0.0298746 0.0875183 54 ARG B CZ +2076 N NH1 . ARG B 60 ? 1.08216 1.09683 1.20916 0.0786099 -0.032023 0.0973701 54 ARG B NH1 +2077 N NH2 . ARG B 60 ? 0.959609 0.940612 1.05083 0.105148 -0.0268272 0.0870175 54 ARG B NH2 +2078 N N . GLU B 61 ? 0.919224 0.826313 0.97549 0.029891 -0.0550658 0.0507348 55 GLU B N +2079 C CA . GLU B 61 ? 1.04486 0.932185 1.08439 0.0301538 -0.0575176 0.0456927 55 GLU B CA +2080 C C . GLU B 61 ? 1.06998 0.947717 1.10007 0.0436486 -0.0552941 0.0453535 55 GLU B C +2081 O O . GLU B 61 ? 0.998916 0.885888 1.03504 0.0519615 -0.0492495 0.0475692 55 GLU B O +2082 C CB . GLU B 61 ? 1.07946 0.961332 1.11535 0.0205858 -0.0560371 0.0411195 55 GLU B CB +2083 C CG . GLU B 61 ? 1.20713 1.07215 1.22856 0.0192178 -0.0586104 0.0380998 55 GLU B CG +2084 C CD . GLU B 61 ? 1.3652 1.22143 1.37787 0.0126015 -0.0654685 0.0384838 55 GLU B CD +2085 O OE1 . GLU B 61 ? 1.5243 1.38474 1.5393 0.0097036 -0.0691149 0.0403748 55 GLU B OE1 +2086 O OE2 . GLU B 61 ? 1.33107 1.1762 1.33423 0.0096284 -0.0678513 0.0378162 55 GLU B OE2 +2087 N N . SER B 62 ? 1.12605 0.984085 1.13979 0.0456025 -0.0609249 0.0430709 56 SER B N +2088 C CA . SER B 62 ? 1.16881 1.00945 1.16665 0.0579061 -0.0616729 0.0416577 56 SER B CA +2089 C C . SER B 62 ? 1.07099 0.910179 1.06688 0.060395 -0.0558179 0.0391586 56 SER B C +2090 O O . SER B 62 ? 1.24102 1.07873 1.2378 0.0499132 -0.0557936 0.0367446 56 SER B O +2091 C CB . SER B 62 ? 1.40223 1.21913 1.38217 0.0538166 -0.0710203 0.0396609 56 SER B CB +2092 O OG . SER B 62 ? 1.47078 1.29121 1.45482 0.043361 -0.0763284 0.0413891 56 SER B OG +2093 N N . GLY B 63 ? 1.03954 0.880148 1.03258 0.0749892 -0.0505286 0.0403663 57 GLY B N +2094 C CA . GLY B 63 ? 1.04591 0.883189 1.03414 0.0794555 -0.04518 0.0382761 57 GLY B CA +2095 C C . GLY B 63 ? 1.07606 0.937895 1.08455 0.0757726 -0.0368332 0.0410835 57 GLY B C +2096 O O . GLY B 63 ? 1.11713 0.979611 1.12388 0.0801363 -0.0315343 0.0404783 57 GLY B O +2097 N N . VAL B 64 ? 1.11644 0.997007 1.14307 0.0669703 -0.0365584 0.0444107 58 VAL B N +2098 C CA . VAL B 64 ? 1.02639 0.92787 1.07102 0.0629169 -0.0306005 0.048083 58 VAL B CA +2099 C C . VAL B 64 ? 0.961601 0.88025 1.01468 0.0763826 -0.0247681 0.0554842 58 VAL B C +2100 O O . VAL B 64 ? 0.915081 0.83973 0.970481 0.08334 -0.0263537 0.0597967 58 VAL B O +2101 C CB . VAL B 64 ? 1.06412 0.975323 1.12139 0.0485012 -0.034283 0.0490667 58 VAL B CB +2102 C CG1 . VAL B 64 ? 1.08318 1.01378 1.1581 0.0436182 -0.0304557 0.0540163 58 VAL B CG1 +2103 C CG2 . VAL B 64 ? 1.04295 0.939835 1.09143 0.0375106 -0.0380858 0.0427687 58 VAL B CG2 +2104 N N . PRO B 65 ? 0.819965 0.748158 0.8778 0.081427 -0.0174891 0.0581186 59 PRO B N +2105 C CA . PRO B 65 ? 0.82751 0.774405 0.892899 0.0958877 -0.0105638 0.0666328 59 PRO B CA +2106 C C . PRO B 65 ? 0.909822 0.884048 0.998308 0.0919708 -0.0110136 0.0768135 59 PRO B C +2107 O O . PRO B 65 ? 0.818733 0.797876 0.918498 0.0759428 -0.0159912 0.076983 59 PRO B O +2108 C CB . PRO B 65 ? 0.851848 0.804169 0.919513 0.0970131 -0.00368894 0.0675334 59 PRO B CB +2109 C CG . PRO B 65 ? 0.924237 0.851904 0.976672 0.0889225 -0.00740864 0.0573415 59 PRO B CG +2110 C CD . PRO B 65 ? 0.87405 0.795791 0.929272 0.0747072 -0.0152523 0.0537608 59 PRO B CD +2111 N N . ASP B 66 ? 1.10861 1.09974 1.20236 0.107633 -0.0057626 0.0856591 60 ASP B N +2112 C CA . ASP B 66 ? 1.07823 1.09908 1.19465 0.10749 -0.00577973 0.0983416 60 ASP B CA +2113 C C . ASP B 66 ? 0.972021 1.01409 1.11116 0.0914991 -0.00638473 0.105609 60 ASP B C +2114 O O . ASP B 66 ? 0.991951 1.05314 1.1496 0.082929 -0.011179 0.114506 60 ASP B O +2115 C CB . ASP B 66 ? 1.24681 1.28383 1.36368 0.130397 0.0025459 0.107532 60 ASP B CB +2116 C CG . ASP B 66 ? 1.41153 1.46168 1.52948 0.142519 0.0135244 0.113064 60 ASP B CG +2117 O OD1 . ASP B 66 ? 1.52409 1.56062 1.63348 0.136878 0.0150849 0.106009 60 ASP B OD1 +2118 O OD2 . ASP B 66 ? 1.1641 1.24035 1.29227 0.158128 0.0209788 0.125601 60 ASP B OD2 +2119 N N . ARG B 67 ? 0.945166 0.982872 1.08231 0.0870931 -0.00260398 0.102471 61 ARG B N +2120 C CA . ARG B 67 ? 0.943144 0.999065 1.0997 0.073873 -0.00289665 0.110191 61 ARG B CA +2121 C C . ARG B 67 ? 0.898132 0.944151 1.05801 0.0532011 -0.0129707 0.105548 61 ARG B C +2122 O O . ARG B 67 ? 1.01293 1.07432 1.18982 0.0411341 -0.0172702 0.114061 61 ARG B O +2123 C CB . ARG B 67 ? 0.915784 0.969018 1.06821 0.0761098 0.00404487 0.108527 61 ARG B CB +2124 C CG . ARG B 67 ? 0.945457 0.967951 1.07719 0.0726198 0.00284681 0.093659 61 ARG B CG +2125 C CD . ARG B 67 ? 0.882169 0.904023 1.01106 0.0750953 0.00937653 0.0933835 61 ARG B CD +2126 N NE . ARG B 67 ? 0.872806 0.866803 0.982471 0.0725128 0.00785939 0.0803995 61 ARG B NE +2127 C CZ . ARG B 67 ? 0.958743 0.933799 1.0478 0.083574 0.00927461 0.0731808 61 ARG B CZ +2128 N NH1 . ARG B 67 ? 1.08589 1.06389 1.16778 0.100111 0.0129839 0.0763355 61 ARG B NH1 +2129 N NH2 . ARG B 67 ? 1.04493 0.997884 1.11983 0.0785979 0.00661125 0.0636194 61 ARG B NH2 +2130 N N . PHE B 68 ? 0.915167 0.935133 1.05778 0.0491378 -0.0173217 0.0928192 62 PHE B N +2131 C CA . PHE B 68 ? 0.902774 0.9125 1.0451 0.0324628 -0.0260463 0.0882036 62 PHE B CA +2132 C C . PHE B 68 ? 0.85036 0.869516 1.00047 0.0295865 -0.0328751 0.0938594 62 PHE B C +2133 O O . PHE B 68 ? 0.935166 0.953731 1.0802 0.0402035 -0.032143 0.0938627 62 PHE B O +2134 C CB . PHE B 68 ? 1.03638 1.01887 1.15871 0.0300203 -0.0273034 0.0745933 62 PHE B CB +2135 C CG . PHE B 68 ? 0.992903 0.966238 1.10854 0.0307101 -0.0219307 0.0694936 62 PHE B CG +2136 C CD1 . PHE B 68 ? 1.04298 1.01138 1.14914 0.0435612 -0.0156263 0.0674306 62 PHE B CD1 +2137 C CD2 . PHE B 68 ? 0.977557 0.945861 1.09487 0.0191594 -0.0237675 0.067005 62 PHE B CD2 +2138 C CE1 . PHE B 68 ? 1.08723 1.04749 1.18727 0.0437058 -0.0115024 0.0633259 62 PHE B CE1 +2139 C CE2 . PHE B 68 ? 1.10642 1.067 1.21812 0.0202704 -0.0190152 0.0629117 62 PHE B CE2 +2140 C CZ . PHE B 68 ? 1.17702 1.13446 1.28092 0.0319725 -0.0129984 0.0612853 62 PHE B CZ +2141 N N . SER B 69 ? 0.916283 0.942405 1.07746 0.0150047 -0.0404804 0.0988881 63 SER B N +2142 C CA . SER B 69 ? 0.901092 0.937785 1.0713 0.0101444 -0.0483871 0.10585 63 SER B CA +2143 C C . SER B 69 ? 0.898498 0.925614 1.06777 -0.00827547 -0.0589989 0.104115 63 SER B C +2144 O O . SER B 69 ? 0.840722 0.872922 1.01855 -0.0182217 -0.0620455 0.109293 63 SER B O +2145 C CB . SER B 69 ? 0.965998 1.03475 1.1581 0.0162916 -0.0461153 0.122267 63 SER B CB +2146 O OG . SER B 69 ? 1.02801 1.11156 1.23222 0.0149883 -0.0414365 0.129965 63 SER B OG +2147 N N . GLY B 70 ? 1.07453 1.08674 1.23197 -0.0125685 -0.0653441 0.0973956 64 GLY B N +2148 C CA . GLY B 70 ? 1.23228 1.233 1.38475 -0.0282827 -0.0760505 0.0954315 64 GLY B CA +2149 C C . GLY B 70 ? 1.17836 1.19625 1.34567 -0.0355835 -0.0858273 0.107737 64 GLY B C +2150 O O . GLY B 70 ? 1.23247 1.26704 1.40949 -0.0269579 -0.0842459 0.114724 64 GLY B O +2151 N N . SER B 71 ? 1.25024 1.2624 1.41777 -0.0512644 -0.0967693 0.110512 65 SER B N +2152 C CA . SER B 71 ? 1.31561 1.3436 1.49757 -0.0609338 -0.108339 0.123565 65 SER B CA +2153 C C . SER B 71 ? 1.20172 1.2075 1.36983 -0.078 -0.122389 0.11983 65 SER B C +2154 O O . SER B 71 ? 1.22955 1.21261 1.38174 -0.0823462 -0.1224 0.110292 65 SER B O +2155 C CB . SER B 71 ? 1.37527 1.43427 1.58379 -0.061431 -0.107249 0.140706 65 SER B CB +2156 O OG . SER B 71 ? 1.4845 1.53803 1.69296 -0.0664835 -0.105143 0.139972 65 SER B OG +2157 N N . GLY B 72 ? 1.06372 1.07501 1.2363 -0.0866089 -0.1345 0.127377 66 GLY B N +2158 C CA . GLY B 72 ? 1.11515 1.10411 1.27263 -0.102983 -0.149906 0.125013 66 GLY B CA +2159 C C . GLY B 72 ? 1.1126 1.08248 1.24912 -0.102724 -0.154293 0.115277 66 GLY B C +2160 O O . GLY B 72 ? 0.994613 0.966609 1.1276 -0.0905577 -0.145186 0.109479 66 GLY B O +2161 N N . SER B 73 ? 1.29718 1.24719 1.4185 -0.116667 -0.169302 0.114144 67 SER B N +2162 C CA . SER B 73 ? 1.39935 1.3304 1.49884 -0.117723 -0.174845 0.10589 67 SER B CA +2163 C C . SER B 73 ? 1.51763 1.41611 1.59104 -0.130914 -0.188606 0.0999493 67 SER B C +2164 O O . SER B 73 ? 1.61839 1.5119 1.69465 -0.141743 -0.197392 0.105473 67 SER B O +2165 C CB . SER B 73 ? 1.32382 1.27613 1.43854 -0.118322 -0.180882 0.116732 67 SER B CB +2166 O OG . SER B 73 ? 1.40634 1.3628 1.52835 -0.134258 -0.198439 0.128856 67 SER B OG +2167 N N . GLY B 74 ? 1.51914 1.3938 1.56506 -0.129387 -0.190531 0.0887278 68 GLY B N +2168 C CA . GLY B 74 ? 1.47867 1.31888 1.49436 -0.139272 -0.203301 0.0819302 68 GLY B CA +2169 C C . GLY B 74 ? 1.44379 1.26021 1.43963 -0.134081 -0.19563 0.0698721 68 GLY B C +2170 O O . GLY B 74 ? 1.41619 1.22165 1.39468 -0.122749 -0.184232 0.058132 68 GLY B O +2171 N N . THR B 75 ? 1.38089 1.19043 1.37998 -0.142482 -0.202203 0.0739273 69 THR B N +2172 C CA . THR B 75 ? 1.39684 1.18004 1.37445 -0.138331 -0.197345 0.0628997 69 THR B CA +2173 C C . THR B 75 ? 1.44543 1.24641 1.44669 -0.136272 -0.188844 0.0682738 69 THR B C +2174 O O . THR B 75 ? 1.74326 1.53246 1.73368 -0.12747 -0.178249 0.0589261 69 THR B O +2175 C CB . THR B 75 ? 1.30047 1.04444 1.24651 -0.149336 -0.214659 0.0587895 69 THR B CB +2176 O OG1 . THR B 75 ? 1.5002 1.25121 1.46257 -0.166459 -0.231729 0.073203 69 THR B OG1 +2177 C CG2 . THR B 75 ? 1.20203 0.921889 1.11654 -0.148897 -0.221682 0.0507345 69 THR B CG2 +2178 N N . ASP B 76 ? 1.4855 1.3153 1.51838 -0.143733 -0.193087 0.0838229 70 ASP B N +2179 C CA . ASP B 76 ? 1.60915 1.45745 1.66412 -0.141054 -0.184319 0.0897934 70 ASP B CA +2180 C C . ASP B 76 ? 1.37651 1.26009 1.45732 -0.128121 -0.168537 0.0940338 70 ASP B C +2181 O O . ASP B 76 ? 1.3314 1.23575 1.4267 -0.127739 -0.170394 0.10176 70 ASP B O +2182 C CB . ASP B 76 ? 1.75196 1.60384 1.82024 -0.157261 -0.198682 0.10381 70 ASP B CB +2183 C CG . ASP B 76 ? 1.84772 1.71104 1.92826 -0.172663 -0.216654 0.118681 70 ASP B CG +2184 O OD1 . ASP B 76 ? 2.22142 2.0982 2.30704 -0.169312 -0.216236 0.1203 70 ASP B OD1 +2185 O OD2 . ASP B 76 ? 1.67666 1.53414 1.76084 -0.188737 -0.232133 0.129108 70 ASP B OD2 +2186 N N . PHE B 77 ? 1.33566 1.22322 1.41971 -0.117016 -0.153562 0.0885675 71 PHE B N +2187 C CA . PHE B 77 ? 1.29182 1.2049 1.39322 -0.103046 -0.138221 0.0897955 71 PHE B CA +2188 C C . PHE B 77 ? 1.2462 1.17219 1.36264 -0.0992155 -0.129399 0.0940977 71 PHE B C +2189 O O . PHE B 77 ? 1.49054 1.4015 1.60013 -0.10603 -0.133508 0.0930116 71 PHE B O +2190 C CB . PHE B 77 ? 1.24973 1.14842 1.33162 -0.0914184 -0.128237 0.0752655 71 PHE B CB +2191 C CG . PHE B 77 ? 1.10217 0.992498 1.171 -0.0931461 -0.134747 0.0719966 71 PHE B CG +2192 C CD1 . PHE B 77 ? 1.04882 0.959163 1.131 -0.0884587 -0.133121 0.0776365 71 PHE B CD1 +2193 C CD2 . PHE B 77 ? 1.17883 1.04014 1.22032 -0.0984883 -0.142437 0.0633838 71 PHE B CD2 +2194 C CE1 . PHE B 77 ? 1.13371 1.03631 1.20392 -0.0905313 -0.139532 0.0752173 71 PHE B CE1 +2195 C CE2 . PHE B 77 ? 1.25258 1.10656 1.28116 -0.099951 -0.148309 0.060892 71 PHE B CE2 +2196 C CZ . PHE B 77 ? 1.17098 1.04617 1.21477 -0.0965491 -0.146937 0.0669707 71 PHE B CZ +2197 N N . THR B 78 ? 1.0439 0.995175 1.17808 -0.0873931 -0.117322 0.0983762 72 THR B N +2198 C CA . THR B 78 ? 0.914906 0.880992 1.06358 -0.0825869 -0.108444 0.103598 72 THR B CA +2199 C C . THR B 78 ? 0.919091 0.896038 1.07064 -0.065533 -0.0931746 0.0991902 72 THR B C +2200 O O . THR B 78 ? 1.00836 0.998956 1.16635 -0.0581712 -0.0906517 0.102112 72 THR B O +2201 C CB . THR B 78 ? 0.908184 0.90225 1.08306 -0.090285 -0.114696 0.122497 72 THR B CB +2202 O OG1 . THR B 78 ? 1.0374 1.01583 1.20638 -0.107725 -0.130408 0.125939 72 THR B OG1 +2203 C CG2 . THR B 78 ? 0.879452 0.893717 1.07111 -0.0841502 -0.104646 0.130192 72 THR B CG2 +2204 N N . LEU B 79 ? 0.948537 0.918396 1.09473 -0.0594474 -0.0839542 0.0928503 73 LEU B N +2205 C CA . LEU B 79 ? 0.951512 0.930562 1.10019 -0.044427 -0.0707862 0.0901797 73 LEU B CA +2206 C C . LEU B 79 ? 0.887916 0.890212 1.05596 -0.0414067 -0.0655987 0.102009 73 LEU B C +2207 O O . LEU B 79 ? 0.925179 0.925473 1.09679 -0.0494664 -0.0682999 0.105548 73 LEU B O +2208 C CB . LEU B 79 ? 0.933817 0.890888 1.06369 -0.0396515 -0.0643622 0.0763581 73 LEU B CB +2209 C CG . LEU B 79 ? 0.962012 0.924382 1.0921 -0.0261604 -0.0524701 0.0735856 73 LEU B CG +2210 C CD1 . LEU B 79 ? 1.0024 0.971574 1.13225 -0.0162354 -0.0496196 0.0735819 73 LEU B CD1 +2211 C CD2 . LEU B 79 ? 0.996014 0.938408 1.10988 -0.0244029 -0.0482032 0.0622416 73 LEU B CD2 +2212 N N . THR B 80 ? 0.850119 0.873236 1.0289 -0.0288881 -0.0579137 0.108172 74 THR B N +2213 C CA . THR B 80 ? 0.933731 0.981378 1.13006 -0.0237402 -0.0515111 0.120379 74 THR B CA +2214 C C . THR B 80 ? 0.868311 0.916211 1.05767 -0.00622466 -0.0384786 0.115082 74 THR B C +2215 O O . THR B 80 ? 1.12665 1.17413 1.30995 0.00531496 -0.0348269 0.111757 74 THR B O +2216 C CB . THR B 80 ? 0.934448 1.01249 1.15292 -0.0247632 -0.0553006 0.137478 74 THR B CB +2217 O OG1 . THR B 80 ? 1.03829 1.11042 1.25908 -0.0424156 -0.0695348 0.140793 74 THR B OG1 +2218 C CG2 . THR B 80 ? 0.869296 0.976717 1.10808 -0.0208985 -0.0491397 0.153064 74 THR B CG2 +2219 N N . ILE B 81 ? 0.782851 0.83087 0.97262 -0.00464475 -0.0324964 0.115316 75 ILE B N +2220 C CA . ILE B 81 ? 0.771503 0.82249 0.95606 0.0112988 -0.0209267 0.113249 75 ILE B CA +2221 C C . ILE B 81 ? 0.78331 0.865794 0.987281 0.0173559 -0.0152857 0.129685 75 ILE B C +2222 O O . ILE B 81 ? 0.903587 0.99499 1.11792 0.00958554 -0.0157254 0.137189 75 ILE B O +2223 C CB . ILE B 81 ? 0.768175 0.797451 0.93849 0.00954952 -0.0180107 0.102211 75 ILE B CB +2224 C CG1 . ILE B 81 ? 0.755901 0.758634 0.910339 0.00159518 -0.0242677 0.0890115 75 ILE B CG1 +2225 C CG2 . ILE B 81 ? 0.876896 0.904713 1.0377 0.0259038 -0.00759234 0.0987022 75 ILE B CG2 +2226 C CD1 . ILE B 81 ? 0.753477 0.737047 0.895191 0.00030324 -0.0215192 0.0793638 75 ILE B CD1 +2227 N N . SER B 82 ? 0.891383 0.990914 1.09974 0.031946 -0.00986163 0.135972 76 SER B N +2228 C CA . SER B 82 ? 0.932493 1.06701 1.16086 0.0396858 -0.00396888 0.153918 76 SER B CA +2229 C C . SER B 82 ? 0.985616 1.12604 1.21266 0.0477859 0.00613938 0.156557 76 SER B C +2230 O O . SER B 82 ? 1.10286 1.26937 1.34874 0.0444981 0.00819685 0.17188 76 SER B O +2231 C CB . SER B 82 ? 0.955329 1.10247 1.18367 0.0571607 0.00080784 0.157927 76 SER B CB +2232 O OG . SER B 82 ? 1.25926 1.40173 1.48932 0.0493686 -0.00888166 0.156236 76 SER B OG +2233 N N . SER B 83 ? 1.04814 1.16524 1.25274 0.0586931 0.0121539 0.142734 77 SER B N +2234 C CA . SER B 83 ? 1.03223 1.15218 1.23123 0.0692374 0.0221267 0.143942 77 SER B CA +2235 C C . SER B 83 ? 1.01544 1.10237 1.19466 0.0637505 0.020239 0.12747 77 SER B C +2236 O O . SER B 83 ? 1.11538 1.17992 1.27422 0.072121 0.0211397 0.115185 77 SER B O +2237 C CB . SER B 83 ? 1.06888 1.1969 1.25857 0.0935916 0.0324233 0.146376 77 SER B CB +2238 O OG . SER B 83 ? 1.22584 1.36441 1.41327 0.105145 0.0427915 0.152015 77 SER B OG +2239 N N . LEU B 84 ? 1.05173 1.13494 1.2372 0.0485459 0.0161716 0.127819 78 LEU B N +2240 C CA . LEU B 84 ? 0.93807 0.991963 1.10703 0.0424317 0.0136688 0.113316 78 LEU B CA +2241 C C . LEU B 84 ? 0.955364 0.999707 1.10817 0.0563801 0.0222199 0.10766 78 LEU B C +2242 O O . LEU B 84 ? 0.911011 0.970796 1.06865 0.0637061 0.0294957 0.116167 78 LEU B O +2243 C CB . LEU B 84 ? 0.92613 0.978096 1.10417 0.0254924 0.00791835 0.116051 78 LEU B CB +2244 C CG . LEU B 84 ? 0.972485 0.995488 1.13523 0.0183269 0.00432877 0.102044 78 LEU B CG +2245 C CD1 . LEU B 84 ? 0.966213 0.971168 1.119 0.0135545 -0.00231218 0.0916379 78 LEU B CD1 +2246 C CD2 . LEU B 84 ? 1.26883 1.29152 1.44013 0.00466596 -0.00042862 0.107038 78 LEU B CD2 +2247 N N . GLN B 85 ? 1.02566 1.04418 1.15876 0.0591304 0.0205169 0.0939381 79 GLN B N +2248 C CA . GLN B 85 ? 1.0971 1.1013 1.21163 0.0705324 0.0258282 0.0874574 79 GLN B CA +2249 C C . GLN B 85 ? 0.947063 0.934084 1.0556 0.0605898 0.0232779 0.0798047 79 GLN B C +2250 O O . GLN B 85 ? 0.873041 0.853662 0.986249 0.0476956 0.0172066 0.0763821 79 GLN B O +2251 C CB . GLN B 85 ? 1.24754 1.2341 1.34334 0.0803532 0.0241492 0.0790323 79 GLN B CB +2252 C CG . GLN B 85 ? 1.21395 1.21499 1.313 0.0927287 0.0268037 0.0858911 79 GLN B CG +2253 C CD . GLN B 85 ? 1.14655 1.1642 1.24577 0.108493 0.0366082 0.0948382 79 GLN B CD +2254 O OE1 . GLN B 85 ? 1.15858 1.16114 1.23713 0.121091 0.0405105 0.0897604 79 GLN B OE1 +2255 N NE2 . GLN B 85 ? 1.15984 1.20843 1.28151 0.107674 0.0401618 0.10888 79 GLN B NE2 +2256 N N . ALA B 86 ? 1.05086 1.02969 1.14741 0.0677689 0.0278602 0.077193 80 ALA B N +2257 C CA . ALA B 86 ? 1.07805 1.04134 1.16848 0.0600353 0.0257739 0.0705815 80 ALA B CA +2258 C C . ALA B 86 ? 0.997848 0.942013 1.07896 0.0539546 0.0191111 0.0605354 80 ALA B C +2259 O O . ALA B 86 ? 0.900146 0.838039 0.984408 0.0434926 0.0156792 0.0571956 80 ALA B O +2260 C CB . ALA B 86 ? 1.13884 1.09541 1.21551 0.0700305 0.0308657 0.0695039 80 ALA B CB +2261 N N . GLU B 87 ? 1.02571 0.960973 1.09468 0.061447 0.0174355 0.0566175 81 GLU B N +2262 C CA . GLU B 87 ? 1.08195 1.00106 1.14181 0.0566396 0.0110104 0.0489894 81 GLU B CA +2263 C C . GLU B 87 ? 1.05094 0.975715 1.12228 0.0466257 0.00670427 0.0492403 81 GLU B C +2264 O O . GLU B 87 ? 1.17849 1.0928 1.24335 0.0430609 0.00183386 0.0442133 81 GLU B O +2265 C CB . GLU B 87 ? 1.27575 1.18306 1.31906 0.06732 0.00928295 0.0461433 81 GLU B CB +2266 C CG . GLU B 87 ? 1.57041 1.49013 1.61565 0.0798506 0.0137123 0.0521396 81 GLU B CG +2267 C CD . GLU B 87 ? 1.85312 1.77588 1.89007 0.0938609 0.0209292 0.0557766 81 GLU B CD +2268 O OE1 . GLU B 87 ? 1.77551 1.70849 1.81172 0.107003 0.025444 0.0610888 81 GLU B OE1 +2269 O OE2 . GLU B 87 ? 1.60767 1.52329 1.63822 0.092819 0.0224446 0.0538733 81 GLU B OE2 +2270 N N . ASP B 88 ? 1.02672 0.96686 1.11392 0.0412857 0.00748726 0.0554805 82 ASP B N +2271 C CA . ASP B 88 ? 1.03301 0.975629 1.12813 0.031638 0.0020018 0.0556268 82 ASP B CA +2272 C C . ASP B 88 ? 1.01819 0.956124 1.11725 0.0205497 -0.00040868 0.0540452 82 ASP B C +2273 O O . ASP B 88 ? 0.847898 0.784497 0.950534 0.0122159 -0.00563995 0.053683 82 ASP B O +2274 C CB . ASP B 88 ? 1.04059 1.00245 1.14975 0.0325479 0.00188997 0.0648664 82 ASP B CB +2275 C CG . ASP B 88 ? 1.01385 0.980753 1.11931 0.0444583 0.00371992 0.0668878 82 ASP B CG +2276 O OD1 . ASP B 88 ? 1.13512 1.08624 1.22576 0.0488707 0.00193175 0.0596259 82 ASP B OD1 +2277 O OD2 . ASP B 88 ? 1.0565 1.04311 1.17365 0.0495069 0.00671183 0.0765208 82 ASP B OD2 +2278 N N . VAL B 89 ? 0.977803 0.911756 1.07457 0.0210484 0.00297551 0.0532022 83 VAL B N +2279 C CA . VAL B 89 ? 1.02288 0.949783 1.12091 0.0125588 0.00089786 0.0513941 83 VAL B CA +2280 C C . VAL B 89 ? 0.920953 0.833651 1.00869 0.00974809 -0.0021148 0.0432932 83 VAL B C +2281 O O . VAL B 89 ? 0.856434 0.762066 0.935589 0.0135408 -0.00035855 0.0391192 83 VAL B O +2282 C CB . VAL B 89 ? 1.08754 1.01415 1.1856 0.0147194 0.00536403 0.0530602 83 VAL B CB +2283 C CG1 . VAL B 89 ? 1.12324 1.03884 1.21927 0.00799823 0.00331379 0.050002 83 VAL B CG1 +2284 C CG2 . VAL B 89 ? 1.1078 1.05112 1.21728 0.0166797 0.00849408 0.0628847 83 VAL B CG2 +2285 N N . ALA B 90 ? 0.82802 0.737347 0.916458 0.00294314 -0.00712489 0.0421874 84 ALA B N +2286 C CA . ALA B 90 ? 0.847301 0.745423 0.925814 0.0009853 -0.00950749 0.0356984 84 ALA B CA +2287 C C . ALA B 90 ? 0.855361 0.746641 0.932383 -0.00642075 -0.0149012 0.0348796 84 ALA B C +2288 O O . ALA B 90 ? 0.955882 0.851062 1.04049 -0.0113814 -0.0181518 0.0399192 84 ALA B O +2289 C CB . ALA B 90 ? 0.792349 0.692226 0.867316 0.00419575 -0.0106079 0.0343385 84 ALA B CB +2290 N N . VAL B 91 ? 0.739834 0.620573 0.80602 -0.00717746 -0.0163939 0.0292737 85 VAL B N +2291 C CA . VAL B 91 ? 0.82061 0.691503 0.880597 -0.0129743 -0.0224102 0.0275548 85 VAL B CA +2292 C C . VAL B 91 ? 0.860527 0.735008 0.91976 -0.014667 -0.026326 0.0275704 85 VAL B C +2293 O O . VAL B 91 ? 1.04154 0.916988 1.096 -0.01096 -0.0241085 0.0249356 85 VAL B O +2294 C CB . VAL B 91 ? 0.871982 0.727683 0.917594 -0.0111708 -0.0214189 0.0216555 85 VAL B CB +2295 C CG1 . VAL B 91 ? 0.80918 0.650025 0.843585 -0.0162223 -0.028642 0.0191912 85 VAL B CG1 +2296 C CG2 . VAL B 91 ? 0.925399 0.777806 0.971889 -0.00843486 -0.0173092 0.0219065 85 VAL B CG2 +2297 N N . TYR B 92 ? 0.878445 0.754791 0.942438 -0.0210524 -0.0330079 0.0314013 86 TYR B N +2298 C CA . TYR B 92 ? 0.966237 0.846267 1.03007 -0.0230459 -0.0375249 0.0321596 86 TYR B CA +2299 C C . TYR B 92 ? 1.00729 0.871301 1.05593 -0.0274068 -0.0433712 0.0272984 86 TYR B C +2300 O O . TYR B 92 ? 1.17422 1.02538 1.216 -0.0318854 -0.0477636 0.026243 86 TYR B O +2301 C CB . TYR B 92 ? 1.00172 0.89713 1.08153 -0.0262727 -0.0408806 0.0409736 86 TYR B CB +2302 C CG . TYR B 92 ? 0.96846 0.878471 1.05877 -0.0185385 -0.0335699 0.0448658 86 TYR B CG +2303 C CD1 . TYR B 92 ? 0.909825 0.822767 1.00532 -0.0170998 -0.0292651 0.0473307 86 TYR B CD1 +2304 C CD2 . TYR B 92 ? 0.922979 0.841109 1.01509 -0.0118788 -0.0312414 0.0456279 86 TYR B CD2 +2305 C CE1 . TYR B 92 ? 0.935839 0.86017 1.03762 -0.0090234 -0.0225665 0.0505025 86 TYR B CE1 +2306 C CE2 . TYR B 92 ? 0.904661 0.831649 1.00138 -0.00324247 -0.024993 0.048217 86 TYR B CE2 +2307 C CZ . TYR B 92 ? 0.879966 0.810161 0.981036 -0.00160727 -0.0204246 0.0505013 86 TYR B CZ +2308 O OH . TYR B 92 ? 0.863356 0.800432 0.96588 0.00776916 -0.014327 0.0526827 86 TYR B OH +2309 N N . TYR B 93 ? 1.00815 0.871407 1.04972 -0.0257795 -0.0439129 0.0245207 87 TYR B N +2310 C CA . TYR B 93 ? 0.919224 0.76793 0.944207 -0.0284127 -0.0487785 0.0200204 87 TYR B CA +2311 C C . TYR B 93 ? 0.951562 0.805752 0.979174 -0.0325511 -0.0552033 0.0228824 87 TYR B C +2312 O O . TYR B 93 ? 1.17892 1.04595 1.21554 -0.0296448 -0.0529454 0.0256048 87 TYR B O +2313 C CB . TYR B 93 ? 0.8609 0.703793 0.872363 -0.0218364 -0.0426315 0.0145277 87 TYR B CB +2314 C CG . TYR B 93 ? 0.910019 0.747862 0.917709 -0.0166441 -0.0361048 0.0119855 87 TYR B CG +2315 C CD1 . TYR B 93 ? 0.913891 0.762622 0.932294 -0.0125319 -0.0294752 0.0139722 87 TYR B CD1 +2316 C CD2 . TYR B 93 ? 1.0586 0.878989 1.05013 -0.0152391 -0.0371449 0.0076221 87 TYR B CD2 +2317 C CE1 . TYR B 93 ? 0.945849 0.790908 0.961616 -0.00801263 -0.0240163 0.0124298 87 TYR B CE1 +2318 C CE2 . TYR B 93 ? 1.15013 0.965888 1.13811 -0.00944674 -0.0311899 0.00575921 87 TYR B CE2 +2319 C CZ . TYR B 93 ? 1.04662 0.876151 1.048 -0.00617782 -0.0245145 0.00851818 87 TYR B CZ +2320 O OH . TYR B 93 ? 0.953829 0.780023 0.952607 -0.00064739 -0.0190337 0.00744527 87 TYR B OH +2321 N N . CYS B 94 ? 1.0411 0.883304 1.0588 -0.0391109 -0.0640057 0.022173 88 CYS B N +2322 C CA . CYS B 94 ? 1.06202 0.906555 1.07838 -0.0431683 -0.070832 0.0241394 88 CYS B CA +2323 C C . CYS B 94 ? 1.1383 0.96957 1.13336 -0.0401264 -0.0700721 0.0174956 88 CYS B C +2324 O O . CYS B 94 ? 0.991022 0.808898 0.970935 -0.0360501 -0.0663772 0.0119546 88 CYS B O +2325 C CB . CYS B 94 ? 1.03792 0.880144 1.05871 -0.0534159 -0.0823595 0.029634 88 CYS B CB +2326 S SG . CYS B 94 ? 1.01428 0.825668 1.00946 -0.0598567 -0.0922225 0.024149 88 CYS B SG +2327 N N . GLN B 95 ? 1.11005 0.946053 1.10376 -0.041118 -0.0730438 0.0187432 89 GLN B N +2328 C CA . GLN B 95 ? 1.13154 0.958554 1.10633 -0.0376848 -0.0712813 0.0139659 89 GLN B CA +2329 C C . GLN B 95 ? 1.04159 0.868435 1.01256 -0.0427826 -0.0796325 0.0161055 89 GLN B C +2330 O O . GLN B 95 ? 0.943917 0.785037 0.930329 -0.0443049 -0.0814237 0.0213689 89 GLN B O +2331 C CB . GLN B 95 ? 1.17136 1.0091 1.15007 -0.0304529 -0.0614606 0.0138478 89 GLN B CB +2332 C CG . GLN B 95 ? 1.39198 1.22468 1.35312 -0.026617 -0.0584361 0.011103 89 GLN B CG +2333 C CD . GLN B 95 ? 1.49705 1.34228 1.46443 -0.0257153 -0.0566307 0.0149101 89 GLN B CD +2334 O OE1 . GLN B 95 ? 1.49987 1.35516 1.48281 -0.0266539 -0.0574071 0.0185815 89 GLN B OE1 +2335 N NE2 . GLN B 95 ? 1.52351 1.36739 1.47741 -0.0234957 -0.0546111 0.0146012 89 GLN B NE2 +2336 N N . GLN B 96 ? 1.0931 0.902918 1.04161 -0.0440776 -0.0843276 0.011911 90 GLN B N +2337 C CA . GLN B 96 ? 1.06949 0.878207 1.01082 -0.0478514 -0.0913171 0.0133735 90 GLN B CA +2338 C C . GLN B 96 ? 1.0911 0.905583 1.02551 -0.0414045 -0.0838301 0.0123646 90 GLN B C +2339 O O . GLN B 96 ? 1.14131 0.95197 1.06457 -0.0344736 -0.0755645 0.00880048 90 GLN B O +2340 C CB . GLN B 96 ? 1.02201 0.808303 0.941111 -0.0532481 -0.101873 0.0101332 90 GLN B CB +2341 C CG . GLN B 96 ? 1.13624 0.902852 1.02596 -0.0458148 -0.0974015 0.00240944 90 GLN B CG +2342 C CD . GLN B 96 ? 1.18529 0.94987 1.05808 -0.042753 -0.0967953 0.00122842 90 GLN B CD +2343 O OE1 . GLN B 96 ? 1.16795 0.939535 1.04653 -0.0485318 -0.103403 0.00531111 90 GLN B OE1 +2344 N NE2 . GLN B 96 ? 1.25129 1.00724 1.10293 -0.0330144 -0.0886144 -0.00355972 90 GLN B NE2 +2345 N N . ASN B 97 ? 1.07997 0.905019 1.02225 -0.0437777 -0.0870326 0.016803 91 ASN B N +2346 C CA . ASN B 97 ? 1.0506 0.880431 0.985935 -0.040075 -0.0826427 0.017564 91 ASN B CA +2347 C C . ASN B 97 ? 0.997545 0.824121 0.924586 -0.0449776 -0.0915091 0.0195507 91 ASN B C +2348 O O . ASN B 97 ? 0.92043 0.755182 0.850082 -0.0445181 -0.0910315 0.023078 91 ASN B O +2349 C CB . ASN B 97 ? 1.00161 0.846635 0.95418 -0.0366859 -0.0761558 0.0212318 91 ASN B CB +2350 C CG . ASN B 97 ? 1.00486 0.859581 0.976694 -0.039083 -0.0806721 0.0258424 91 ASN B CG +2351 O OD1 . ASN B 97 ? 1.08065 0.935027 1.05817 -0.0434453 -0.0875221 0.0274394 91 ASN B OD1 +2352 N ND2 . ASN B 97 ? 1.14003 1.00337 1.12159 -0.035917 -0.0773865 0.0288352 91 ASN B ND2 +2353 N N . LEU B 98 ? 1.05868 0.871441 0.973795 -0.0501056 -0.100469 0.0175006 92 LEU B N +2354 C CA . LEU B 98 ? 1.08238 0.889769 0.986993 -0.0553347 -0.110089 0.0191975 92 LEU B CA +2355 C C . LEU B 98 ? 1.16861 0.965211 1.04623 -0.050681 -0.10676 0.0153623 92 LEU B C +2356 O O . LEU B 98 ? 1.35163 1.15277 1.22512 -0.0514262 -0.108461 0.0183557 92 LEU B O +2357 C CB . LEU B 98 ? 1.04648 0.841583 0.947378 -0.0636199 -0.122363 0.0191805 92 LEU B CB +2358 C CG . LEU B 98 ? 1.05106 0.839358 0.941449 -0.0708098 -0.134893 0.0216394 92 LEU B CG +2359 C CD1 . LEU B 98 ? 1.10636 0.913422 1.02259 -0.0764169 -0.141367 0.0304936 92 LEU B CD1 +2360 C CD2 . LEU B 98 ? 1.07509 0.838741 0.943768 -0.0766707 -0.145598 0.0177414 92 LEU B CD2 +2361 N N . ARG B 99 ? 1.17926 0.961167 1.0375 -0.0452511 -0.102198 0.00921211 93 ARG B N +2362 C CA . ARG B 99 ? 1.22682 0.997264 1.05613 -0.0384925 -0.0982086 0.0055273 93 ARG B CA +2363 C C . ARG B 99 ? 1.26446 1.03617 1.08896 -0.0279481 -0.08507 0.00256633 93 ARG B C +2364 O O . ARG B 99 ? 1.42758 1.19735 1.2616 -0.0274165 -0.0832015 0.0004811 93 ARG B O +2365 C CB . ARG B 99 ? 1.3535 1.09699 1.15636 -0.0421643 -0.1098 0.00045529 93 ARG B CB +2366 C CG . ARG B 99 ? 1.53578 1.26376 1.30329 -0.0346229 -0.107633 -0.00357988 93 ARG B CG +2367 C CD . ARG B 99 ? 1.49142 1.18546 1.2241 -0.0346285 -0.117465 -0.0108364 93 ARG B CD +2368 N NE . ARG B 99 ? 1.6165 1.30328 1.35843 -0.0489563 -0.134194 -0.00864223 93 ARG B NE +2369 C CZ . ARG B 99 ? 1.79663 1.46063 1.52874 -0.0551856 -0.145649 -0.0118634 93 ARG B CZ +2370 N NH1 . ARG B 99 ? 1.84505 1.51281 1.59543 -0.0691789 -0.159437 -0.00620547 93 ARG B NH1 +2371 N NH2 . ARG B 99 ? 1.89944 1.53796 1.60437 -0.0473155 -0.143508 -0.0196363 93 ARG B NH2 +2372 N N . PRO B 100 ? 1.17198 0.948542 0.982417 -0.0190168 -0.0754172 0.00334786 94 PRO B N +2373 C CA . PRO B 100 ? 1.17468 0.951212 0.976932 -0.00772929 -0.0635009 0.0010426 94 PRO B CA +2374 C C . PRO B 100 ? 1.27691 1.02459 1.04782 -0.00147306 -0.0658895 -0.0074142 94 PRO B C +2375 O O . PRO B 100 ? 1.26529 0.994076 1.01224 -0.00306329 -0.0742071 -0.0107388 94 PRO B O +2376 C CB . PRO B 100 ? 1.14921 0.942905 0.947409 -0.00139758 -0.0540872 0.00710217 94 PRO B CB +2377 C CG . PRO B 100 ? 1.20708 0.994301 0.991428 -0.0063021 -0.062452 0.00798487 94 PRO B CG +2378 C CD . PRO B 100 ? 1.2237 1.00837 1.02662 -0.01897 -0.0750704 0.00794236 94 PRO B CD +2379 N N . PRO B 101 ? 1.25863 1.00003 1.02622 0.00640846 -0.0591489 -0.011118 95 PRO B N +2380 C CA . PRO B 101 ? 1.27221 1.03569 1.06607 0.00885239 -0.0492054 -0.00686931 95 PRO B CA +2381 C C . PRO B 101 ? 1.1928 0.960613 1.0138 -0.00161094 -0.0555005 -0.00605933 95 PRO B C +2382 O O . PRO B 101 ? 1.20529 0.955049 1.02119 -0.007463 -0.0652749 -0.0100425 95 PRO B O +2383 C CB . PRO B 101 ? 1.30018 1.05258 1.07467 0.022805 -0.0401225 -0.0112332 95 PRO B CB +2384 C CG . PRO B 101 ? 1.38339 1.10044 1.12746 0.0231207 -0.0501712 -0.019925 95 PRO B CG +2385 C CD . PRO B 101 ? 1.26301 0.973592 0.998497 0.014074 -0.0612676 -0.0194922 95 PRO B CD +2386 N N . GLU B 102 ? 1.18976 0.981186 1.03838 -0.00424002 -0.0507298 -7.259e-05 96 GLU B N +2387 C CA . GLU B 102 ? 1.27744 1.07462 1.15063 -0.0120743 -0.0552717 0.00130383 96 GLU B CA +2388 C C . GLU B 102 ? 1.20604 0.991829 1.07687 -0.00858757 -0.0531224 -0.00309766 96 GLU B C +2389 O O . GLU B 102 ? 1.2446 1.03079 1.10819 0.00080367 -0.0438897 -0.00431964 96 GLU B O +2390 C CB . GLU B 102 ? 1.40256 1.22323 1.29989 -0.0135086 -0.0504125 0.00791719 96 GLU B CB +2391 C CG . GLU B 102 ? 1.41101 1.24059 1.31369 -0.0190189 -0.055394 0.0127029 96 GLU B CG +2392 C CD . GLU B 102 ? 1.48517 1.33308 1.40592 -0.0198684 -0.051729 0.0192355 96 GLU B CD +2393 O OE1 . GLU B 102 ? 1.4038 1.26055 1.31996 -0.0163893 -0.0458368 0.0232581 96 GLU B OE1 +2394 O OE2 . GLU B 102 ? 1.57988 1.43295 1.51839 -0.0237857 -0.0551179 0.0210381 96 GLU B OE2 +2395 N N . THR B 103 ? 1.16314 0.939931 1.04084 -0.0161484 -0.0617791 -0.00435616 97 THR B N +2396 C CA . THR B 103 ? 1.09629 0.859249 0.969458 -0.0140115 -0.0615199 -0.00814978 97 THR B CA +2397 C C . THR B 103 ? 1.09114 0.865455 0.991142 -0.0207232 -0.0634794 -0.00433996 97 THR B C +2398 O O . THR B 103 ? 1.03626 0.821046 0.952554 -0.0285854 -0.0694377 0.00011977 97 THR B O +2399 C CB . THR B 103 ? 1.12602 0.859542 0.972616 -0.0163203 -0.0718562 -0.0135307 97 THR B CB +2400 O OG1 . THR B 103 ? 1.10113 0.83308 0.950992 -0.0274413 -0.0840276 -0.0109356 97 THR B OG1 +2401 C CG2 . THR B 103 ? 1.23909 0.957362 1.05363 -0.0053868 -0.0674875 -0.0186137 97 THR B CG2 +2402 N N . PHE B 104 ? 1.16469 0.936845 1.06797 -0.0164203 -0.0580234 -0.00575676 98 PHE B N +2403 C CA . PHE B 104 ? 1.17038 0.95328 1.09706 -0.0209817 -0.0581736 -0.00204119 98 PHE B CA +2404 C C . PHE B 104 ? 1.12335 0.888064 1.04462 -0.0259005 -0.0658019 -0.00355429 98 PHE B C +2405 O O . PHE B 104 ? 1.1813 0.92261 1.07876 -0.0226781 -0.0683781 -0.00892215 98 PHE B O +2406 C CB . PHE B 104 ? 1.13079 0.926204 1.06664 -0.0130941 -0.0464953 -0.00131929 98 PHE B CB +2407 C CG . PHE B 104 ? 0.991317 0.807131 0.939281 -0.0113421 -0.0409417 0.00271006 98 PHE B CG +2408 C CD1 . PHE B 104 ? 1.03477 0.865364 1.00364 -0.0155173 -0.0419431 0.00723171 98 PHE B CD1 +2409 C CD2 . PHE B 104 ? 1.03689 0.856174 0.974036 -0.00513346 -0.0351031 0.00265153 98 PHE B CD2 +2410 C CE1 . PHE B 104 ? 1.10733 0.951824 1.08416 -0.0142092 -0.0386561 0.0107068 98 PHE B CE1 +2411 C CE2 . PHE B 104 ? 1.13821 0.974836 1.08641 -0.00517528 -0.0316574 0.00756567 98 PHE B CE2 +2412 C CZ . PHE B 104 ? 1.13458 0.981699 1.10155 -0.010077 -0.0341936 0.0111061 98 PHE B CZ +2413 N N . GLY B 105 ? 0.986612 0.761714 0.929223 -0.0332709 -0.0695529 0.00185025 99 GLY B N +2414 C CA . GLY B 105 ? 0.98053 0.743207 0.923199 -0.0382773 -0.0753357 0.0026593 99 GLY B CA +2415 C C . GLY B 105 ? 1.04174 0.802201 0.983808 -0.0301967 -0.0660669 6.533e-05 99 GLY B C +2416 O O . GLY B 105 ? 0.93459 0.707641 0.88101 -0.0216485 -0.0551038 -0.00089683 99 GLY B O +2417 N N . GLN B 106 ? 1.19461 0.93824 1.13094 -0.0336631 -0.0716128 -0.00027101 100 GLN B N +2418 C CA . GLN B 106 ? 1.21517 0.952348 1.14718 -0.0256375 -0.0641034 -0.00314384 100 GLN B CA +2419 C C . GLN B 106 ? 1.17404 0.936349 1.13272 -0.0249277 -0.0560699 0.00226328 100 GLN B C +2420 O O . GLN B 106 ? 1.25361 1.01784 1.21251 -0.0169629 -0.0474428 0.00061201 100 GLN B O +2421 C CB . GLN B 106 ? 1.14791 0.856048 1.06284 -0.0289353 -0.0730576 -0.00538274 100 GLN B CB +2422 C CG . GLN B 106 ? 1.26627 0.979246 1.19971 -0.041307 -0.0812336 0.00246423 100 GLN B CG +2423 C CD . GLN B 106 ? 1.32678 1.03662 1.26215 -0.0548903 -0.0955022 0.00743983 100 GLN B CD +2424 O OE1 . GLN B 106 ? 1.21254 0.919251 1.13806 -0.0556364 -0.0991581 0.00507612 100 GLN B OE1 +2425 N NE2 . GLN B 106 ? 1.49331 1.20557 1.44253 -0.0663475 -0.104105 0.0157108 100 GLN B NE2 +2426 N N . GLY B 107 ? 1.07388 0.855024 1.05369 -0.0324183 -0.0590182 0.00902989 101 GLY B N +2427 C CA . GLY B 107 ? 1.01658 0.819904 1.01889 -0.0309679 -0.0520554 0.0142202 101 GLY B CA +2428 C C . GLY B 107 ? 0.957867 0.762914 0.972386 -0.038292 -0.0569306 0.020665 101 GLY B C +2429 O O . GLY B 107 ? 1.09959 0.885005 1.10318 -0.0427148 -0.0638231 0.0198331 101 GLY B O +2430 N N . THR B 108 ? 0.864865 0.692875 0.900805 -0.038942 -0.0533722 0.0275535 102 THR B N +2431 C CA . THR B 108 ? 0.977225 0.813427 1.02809 -0.0450278 -0.0562402 0.0359383 102 THR B CA +2432 C C . THR B 108 ? 0.90578 0.757566 0.968522 -0.0375398 -0.0455529 0.0377362 102 THR B C +2433 O O . THR B 108 ? 0.824297 0.690998 0.89414 -0.0320657 -0.0399554 0.0382159 102 THR B O +2434 C CB . THR B 108 ? 1.04493 0.896197 1.11022 -0.053136 -0.063518 0.04496 102 THR B CB +2435 O OG1 . THR B 108 ? 1.00245 0.836016 1.0561 -0.0627051 -0.0760855 0.044711 102 THR B OG1 +2436 C CG2 . THR B 108 ? 1.06924 0.93895 1.15513 -0.0573105 -0.0635661 0.0564347 102 THR B CG2 +2437 N N . LYS B 109 ? 1.0011 0.847896 1.0647 -0.0375355 -0.0437611 0.0390315 103 LYS B N +2438 C CA . LYS B 109 ? 1.23219 1.09192 1.30494 -0.0305677 -0.03427 0.0406666 103 LYS B CA +2439 C C . LYS B 109 ? 1.16284 1.04311 1.25465 -0.0337997 -0.0342781 0.0514786 103 LYS B C +2440 O O . LYS B 109 ? 1.11602 0.995275 1.21342 -0.0421621 -0.0405899 0.0582876 103 LYS B O +2441 C CB . LYS B 109 ? 1.42351 1.27118 1.48904 -0.0270793 -0.0306165 0.0374149 103 LYS B CB +2442 C CG . LYS B 109 ? 1.65287 1.51203 1.72316 -0.0181842 -0.0205937 0.036523 103 LYS B CG +2443 C CD . LYS B 109 ? 1.79771 1.65552 1.87061 -0.0163758 -0.0169726 0.0387697 103 LYS B CD +2444 C CE . LYS B 109 ? 1.60514 1.47457 1.68275 -0.00894248 -0.00884164 0.0392034 103 LYS B CE +2445 N NZ . LYS B 109 ? 1.48544 1.37248 1.57362 -0.00726831 -0.00645429 0.0443976 103 LYS B NZ +2446 N N . VAL B 110 ? 1.11708 1.01527 1.21757 -0.0267646 -0.0275328 0.0536398 104 VAL B N +2447 C CA . VAL B 110 ? 1.09636 1.01613 1.21357 -0.0263521 -0.0253413 0.0642935 104 VAL B CA +2448 C C . VAL B 110 ? 1.03484 0.95921 1.1535 -0.0190576 -0.0168546 0.0648574 104 VAL B C +2449 O O . VAL B 110 ? 0.956836 0.875129 1.06649 -0.0115949 -0.0115832 0.0576265 104 VAL B O +2450 C CB . VAL B 110 ? 1.07244 1.00803 1.19656 -0.0221778 -0.024344 0.0674976 104 VAL B CB +2451 C CG1 . VAL B 110 ? 1.10355 1.06336 1.24413 -0.018818 -0.0203436 0.0793751 104 VAL B CG1 +2452 C CG2 . VAL B 110 ? 1.06677 0.998683 1.19023 -0.0303289 -0.0336131 0.0680654 104 VAL B CG2 +2453 N N . GLU B 111 ? 1.02997 0.964951 1.15985 -0.0223401 -0.0165769 0.0744274 105 GLU B N +2454 C CA . GLU B 111 ? 1.09211 1.03187 1.22361 -0.0165431 -0.00930762 0.0765614 105 GLU B CA +2455 C C . GLU B 111 ? 0.987277 0.952347 1.13395 -0.0135483 -0.00524037 0.0890452 105 GLU B C +2456 O O . GLU B 111 ? 1.01951 0.99879 1.17857 -0.0191639 -0.00952789 0.0984429 105 GLU B O +2457 C CB . GLU B 111 ? 1.39084 1.31692 1.51924 -0.0231149 -0.0125166 0.0766904 105 GLU B CB +2458 C CG . GLU B 111 ? 1.96273 1.86412 2.07504 -0.0242369 -0.015922 0.065316 105 GLU B CG +2459 C CD . GLU B 111 ? 2.36221 2.24577 2.46918 -0.0344863 -0.0256655 0.0657494 105 GLU B CD +2460 O OE1 . GLU B 111 ? 2.57501 2.43834 2.66862 -0.0330616 -0.0263676 0.0586691 105 GLU B OE1 +2461 O OE2 . GLU B 111 ? 2.71677 2.60561 2.83185 -0.0437381 -0.0332799 0.0736132 105 GLU B OE2 +2462 N N . ILE B 112 ? 1.00965 0.981094 1.15478 -0.00398232 0.00317984 0.0898342 106 ILE B N +2463 C CA . ILE B 112 ? 1.08691 1.0821 1.24421 0.00083131 0.00875418 0.102247 106 ILE B CA +2464 C C . ILE B 112 ? 1.06752 1.06703 1.23455 -0.00867035 0.00610226 0.111819 106 ILE B C +2465 O O . ILE B 112 ? 1.03727 1.02068 1.19675 -0.0115244 0.00524303 0.106831 106 ILE B O +2466 C CB . ILE B 112 ? 1.16933 1.16541 1.31644 0.0156831 0.0181676 0.0983558 106 ILE B CB +2467 C CG1 . ILE B 112 ? 1.20726 1.19846 1.34465 0.0242786 0.0191936 0.0908284 106 ILE B CG1 +2468 C CG2 . ILE B 112 ? 1.24804 1.26693 1.4041 0.0228591 0.0255677 0.110897 106 ILE B CG2 +2469 C CD1 . ILE B 112 ? 1.40245 1.41296 1.55045 0.0274737 0.0193403 0.0989708 106 ILE B CD1 +2470 N N . LYS B 113 ? 1.02985 1.05202 1.21432 -0.0137945 0.00431486 0.126801 107 LYS B N +2471 C CA . LYS B 113 ? 0.958073 0.989456 1.15419 -0.0227046 0.00195402 0.13947 107 LYS B CA +2472 C C . LYS B 113 ? 0.839016 0.890146 1.03877 -0.0108227 0.0135123 0.147045 107 LYS B C +2473 O O . LYS B 113 ? 0.914374 0.986534 1.11934 -9.947e-05 0.0204526 0.152811 107 LYS B O +2474 C CB . LYS B 113 ? 0.9923 1.0413 1.20686 -0.0350691 -0.00666397 0.154203 107 LYS B CB +2475 C CG . LYS B 113 ? 1.00835 1.06073 1.23396 -0.0495684 -0.0140786 0.167357 107 LYS B CG +2476 C CD . LYS B 113 ? 1.18696 1.24674 1.42635 -0.0658348 -0.0273701 0.179252 107 LYS B CD +2477 C CE . LYS B 113 ? 1.42295 1.48077 1.67042 -0.0816811 -0.0367069 0.19198 107 LYS B CE +2478 N NZ . LYS B 113 ? 1.47327 1.54498 1.73803 -0.098583 -0.0499411 0.208964 107 LYS B NZ +2479 N N . ARG B 114 ? 0.932609 0.976349 1.12817 -0.011668 0.0156856 0.147186 108 ARG B N +2480 C CA . ARG B 114 ? 0.918093 0.978802 1.11457 -0.00022963 0.0265285 0.154258 108 ARG B CA +2481 C C . ARG B 114 ? 0.87723 0.944659 1.08332 -0.00939233 0.0247837 0.166484 108 ARG B C +2482 O O . ARG B 114 ? 1.07171 1.12809 1.2826 -0.0247239 0.0143378 0.168931 108 ARG B O +2483 C CB . ARG B 114 ? 0.983681 1.02581 1.15928 0.0125735 0.0329225 0.139256 108 ARG B CB +2484 C CG . ARG B 114 ? 0.981729 0.994973 1.14528 0.00636819 0.027845 0.127071 108 ARG B CG +2485 C CD . ARG B 114 ? 0.938339 0.942044 1.08699 0.0169969 0.0345893 0.120119 108 ARG B CD +2486 N NE . ARG B 114 ? 0.882197 0.898413 1.03614 0.017845 0.0391597 0.13118 108 ARG B NE +2487 C CZ . ARG B 114 ? 0.866844 0.882138 1.01001 0.028085 0.0461063 0.129936 108 ARG B CZ +2488 N NH1 . ARG B 114 ? 0.968126 0.968624 1.09396 0.0375273 0.0482641 0.118064 108 ARG B NH1 +2489 N NH2 . ARG B 114 ? 0.916714 0.945779 1.06592 0.0282906 0.0501789 0.141527 108 ARG B NH2 +2490 N N . THR B 115 ? 0.888815 0.973143 1.09592 0.00054123 0.034714 0.174447 109 THR B N +2491 C CA . THR B 115 ? 0.954412 1.04601 1.16947 -0.00670395 0.0343079 0.186525 109 THR B CA +2492 C C . THR B 115 ? 0.993016 1.05259 1.19419 -0.0123542 0.0292879 0.174367 109 THR B C +2493 O O . THR B 115 ? 0.93685 0.973512 1.12136 -0.00644759 0.0298566 0.157645 109 THR B O +2494 C CB . THR B 115 ? 0.95698 1.07281 1.17283 0.00758246 0.0472634 0.196587 109 THR B CB +2495 O OG1 . THR B 115 ? 0.98585 1.08881 1.18102 0.0245229 0.0549344 0.181858 109 THR B OG1 +2496 C CG2 . THR B 115 ? 0.992499 1.14666 1.22824 0.0101697 0.0515143 0.215687 109 THR B CG2 +2497 N N . VAL B 116 ? 1.0087 1.06686 1.21751 -0.024619 0.0234448 0.184032 110 VAL B N +2498 C CA . VAL B 116 ? 1.0458 1.07225 1.24243 -0.031062 0.0167723 0.173463 110 VAL B CA +2499 C C . VAL B 116 ? 1.05132 1.07075 1.23447 -0.0190853 0.0255859 0.166333 110 VAL B C +2500 O O . VAL B 116 ? 1.05058 1.08963 1.23741 -0.0124387 0.0337017 0.176199 110 VAL B O +2501 C CB . VAL B 116 ? 1.04862 1.07304 1.25605 -0.0482314 0.00620141 0.186584 110 VAL B CB +2502 C CG1 . VAL B 116 ? 1.00971 1.00121 1.20324 -0.0527538 0.00014049 0.17716 110 VAL B CG1 +2503 C CG2 . VAL B 116 ? 1.09966 1.12736 1.31789 -0.0610305 -0.0046847 0.192632 110 VAL B CG2 +2504 N N . ALA B 117 ? 1.05878 1.05132 1.22615 -0.0160887 0.0238678 0.150039 111 ALA B N +2505 C CA . ALA B 117 ? 0.987375 0.971052 1.14183 -0.00656396 0.0300209 0.143304 111 ALA B CA +2506 C C . ALA B 117 ? 1.05506 1.01443 1.20318 -0.0131548 0.0236587 0.138296 111 ALA B C +2507 O O . ALA B 117 ? 1.12442 1.06442 1.26733 -0.0174336 0.0171092 0.129177 111 ALA B O +2508 C CB . ALA B 117 ? 1.00866 0.985301 1.15008 0.00483314 0.0343676 0.129777 111 ALA B CB +2509 N N . ALA B 118 ? 1.06754 1.02755 1.21455 -0.0124275 0.0261081 0.14409 112 ALA B N +2510 C CA . ALA B 118 ? 0.997339 0.934366 1.13765 -0.0168713 0.0206224 0.139925 112 ALA B CA +2511 C C . ALA B 118 ? 0.841594 0.764589 0.967793 -0.00703553 0.0240361 0.126367 112 ALA B C +2512 O O . ALA B 118 ? 0.91791 0.849536 1.03876 0.00240506 0.0309517 0.124148 112 ALA B O +2513 C CB . ALA B 118 ? 1.19077 1.1349 1.33654 -0.0208969 0.0211076 0.152853 112 ALA B CB +2514 N N . PRO B 119 ? 0.873776 0.774482 0.992621 -0.00857878 0.0189024 0.117674 113 PRO B N +2515 C CA . PRO B 119 ? 0.902778 0.793674 1.01082 1.382e-05 0.0217294 0.107093 113 PRO B CA +2516 C C . PRO B 119 ? 0.859323 0.749773 0.963177 0.0043814 0.0249501 0.109946 113 PRO B C +2517 O O . PRO B 119 ? 0.751716 0.643095 0.85954 8.55e-06 0.023757 0.118852 113 PRO B O +2518 C CB . PRO B 119 ? 1.0264 0.895838 1.12912 -0.00267213 0.0154609 0.0995325 113 PRO B CB +2519 C CG . PRO B 119 ? 1.03658 0.898103 1.14358 -0.0124917 0.00864233 0.107484 113 PRO B CG +2520 C CD . PRO B 119 ? 1.07351 0.956746 1.19277 -0.0180695 0.00968244 0.118184 113 PRO B CD +2521 N N . SER B 120 ? 0.887469 0.775936 0.983083 0.0122005 0.028014 0.102839 114 SER B N +2522 C CA . SER B 120 ? 0.968398 0.851544 1.05844 0.0159452 0.0289309 0.103389 114 SER B CA +2523 C C . SER B 120 ? 0.997414 0.864139 1.0848 0.0159656 0.0248943 0.0974901 114 SER B C +2524 O O . SER B 120 ? 1.06939 0.932668 1.15361 0.0190471 0.0245566 0.0898734 114 SER B O +2525 C CB . SER B 120 ? 0.953207 0.8411 1.03479 0.023377 0.032415 0.0999708 114 SER B CB +2526 O OG . SER B 120 ? 1.03175 0.93203 1.11128 0.0267864 0.0365864 0.102401 114 SER B OG +2527 N N . VAL B 121 ? 0.938847 0.79563 1.02661 0.013627 0.0221235 0.10154 115 VAL B N +2528 C CA . VAL B 121 ? 1.00905 0.850372 1.09213 0.0169099 0.0194688 0.0962774 115 VAL B CA +2529 C C . VAL B 121 ? 0.972195 0.815505 1.05202 0.0233225 0.0216822 0.0964058 115 VAL B C +2530 O O . VAL B 121 ? 1.05364 0.902926 1.13357 0.023186 0.0231604 0.102424 115 VAL B O +2531 C CB . VAL B 121 ? 1.17679 1.0016 1.25919 0.0119589 0.0139364 0.0997565 115 VAL B CB +2532 C CG1 . VAL B 121 ? 1.19799 1.00455 1.27257 0.0177265 0.011599 0.0930865 115 VAL B CG1 +2533 C CG2 . VAL B 121 ? 1.13133 0.956897 1.21835 0.0029625 0.0101982 0.102923 115 VAL B CG2 +2534 N N . PHE B 122 ? 1.03124 0.870442 1.10825 0.0288416 0.0216619 0.0906286 116 PHE B N +2535 C CA . PHE B 122 ? 0.977534 0.818706 1.05309 0.0345787 0.0224011 0.0916683 116 PHE B CA +2536 C C . PHE B 122 ? 0.983344 0.814032 1.05708 0.0402445 0.0215285 0.0886866 116 PHE B C +2537 O O . PHE B 122 ? 0.988192 0.813282 1.05987 0.0411339 0.0212436 0.0833168 116 PHE B O +2538 C CB . PHE B 122 ? 0.974835 0.827637 1.04948 0.0367048 0.0235815 0.0894064 116 PHE B CB +2539 C CG . PHE B 122 ? 1.07106 0.931796 1.14351 0.0337088 0.0247938 0.0901342 116 PHE B CG +2540 C CD1 . PHE B 122 ? 1.07575 0.939924 1.14443 0.0340676 0.0252589 0.0951863 116 PHE B CD1 +2541 C CD2 . PHE B 122 ? 1.14916 1.01318 1.22207 0.0316131 0.0256776 0.0862539 116 PHE B CD2 +2542 C CE1 . PHE B 122 ? 1.12939 0.999648 1.19337 0.03377 0.0272664 0.0961787 116 PHE B CE1 +2543 C CE2 . PHE B 122 ? 1.20423 1.0754 1.27439 0.031005 0.0275884 0.087854 116 PHE B CE2 +2544 C CZ . PHE B 122 ? 1.21099 1.08505 1.27581 0.032863 0.028696 0.0925891 116 PHE B CZ +2545 N N . ILE B 123 ? 1.09599 0.92426 1.16947 0.0452167 0.0213579 0.0924338 117 ILE B N +2546 C CA . ILE B 123 ? 1.08651 0.9066 1.15742 0.0535301 0.0217226 0.0904374 117 ILE B CA +2547 C C . ILE B 123 ? 1.07148 0.90519 1.14667 0.0594469 0.0233574 0.0938498 117 ILE B C +2548 O O . ILE B 123 ? 1.32192 1.1629 1.39973 0.057635 0.0223789 0.0992875 117 ILE B O +2549 C CB . ILE B 123 ? 1.12926 0.929767 1.19481 0.0553043 0.0190575 0.0924426 117 ILE B CB +2550 C CG1 . ILE B 123 ? 1.14436 0.933573 1.20356 0.0663059 0.0199538 0.0893558 117 ILE B CG1 +2551 C CG2 . ILE B 123 ? 1.28469 1.0869 1.35273 0.053883 0.0179682 0.100088 117 ILE B CG2 +2552 C CD1 . ILE B 123 ? 1.25432 1.0178 1.30378 0.068455 0.0158748 0.0898272 117 ILE B CD1 +2553 N N . PHE B 124 ? 0.984992 0.823092 1.06073 0.0661224 0.0254942 0.0913982 118 PHE B N +2554 C CA . PHE B 124 ? 1.06716 0.921723 1.14925 0.0708378 0.0265177 0.0963909 118 PHE B CA +2555 C C . PHE B 124 ? 1.05121 0.901882 1.13234 0.0830992 0.0291313 0.0986461 118 PHE B C +2556 O O . PHE B 124 ? 1.01742 0.859907 1.09275 0.090057 0.0317149 0.0939944 118 PHE B O +2557 C CB . PHE B 124 ? 1.07975 0.94857 1.16533 0.0683891 0.0269844 0.0945529 118 PHE B CB +2558 C CG . PHE B 124 ? 1.04656 0.917762 1.13081 0.058478 0.0244991 0.0919356 118 PHE B CG +2559 C CD1 . PHE B 124 ? 1.02357 0.902719 1.10879 0.0537956 0.0211998 0.096361 118 PHE B CD1 +2560 C CD2 . PHE B 124 ? 1.05612 0.920499 1.13656 0.0547493 0.0251322 0.0852347 118 PHE B CD2 +2561 C CE1 . PHE B 124 ? 1.07513 0.953965 1.15576 0.0472625 0.0193464 0.0934865 118 PHE B CE1 +2562 C CE2 . PHE B 124 ? 0.943845 0.811237 1.02272 0.0478557 0.0236219 0.083314 118 PHE B CE2 +2563 C CZ . PHE B 124 ? 1.06676 0.940633 1.14481 0.044955 0.0211053 0.0871338 118 PHE B CZ +2564 N N . PRO B 125 ? 0.983835 0.84027 1.0695 0.0872769 0.0285857 0.106261 119 PRO B N +2565 C CA . PRO B 125 ? 0.958477 0.813954 1.04387 0.100965 0.0316829 0.109806 119 PRO B CA +2566 C C . PRO B 125 ? 0.932012 0.808737 1.02478 0.106763 0.0351636 0.112946 119 PRO B C +2567 O O . PRO B 125 ? 1.04476 0.937528 1.14444 0.0985393 0.0333037 0.114627 119 PRO B O +2568 C CB . PRO B 125 ? 0.953784 0.812283 1.04371 0.101589 0.0293029 0.118069 119 PRO B CB +2569 C CG . PRO B 125 ? 0.992237 0.847346 1.08117 0.0880682 0.0250855 0.117136 119 PRO B CG +2570 C CD . PRO B 125 ? 1.04919 0.912457 1.13899 0.0801957 0.0249766 0.112103 119 PRO B CD +2571 N N . PRO B 126 ? 0.962593 0.840107 1.05337 0.121663 0.0401703 0.114717 120 PRO B N +2572 C CA . PRO B 126 ? 0.94248 0.845261 1.04267 0.128096 0.0441652 0.120937 120 PRO B CA +2573 C C . PRO B 126 ? 0.874372 0.802048 0.990192 0.123216 0.040796 0.133127 120 PRO B C +2574 O O . PRO B 126 ? 0.798704 0.724276 0.916835 0.123864 0.0383335 0.138282 120 PRO B O +2575 C CB . PRO B 126 ? 0.921603 0.817675 1.01398 0.147469 0.0508198 0.121018 120 PRO B CB +2576 C CG . PRO B 126 ? 1.0527 0.921021 1.13373 0.150722 0.0484629 0.117496 120 PRO B CG +2577 C CD . PRO B 126 ? 1.07052 0.924106 1.14851 0.133512 0.0420139 0.111363 120 PRO B CD +2578 N N . SER B 127 ? 0.864918 0.814742 0.99051 0.116822 0.0394261 0.137821 121 SER B N +2579 C CA . SER B 127 ? 0.896999 0.870474 1.03665 0.109993 0.0341258 0.15011 121 SER B CA +2580 C C . SER B 127 ? 0.941792 0.934529 1.09228 0.123317 0.0378196 0.162839 121 SER B C +2581 O O . SER B 127 ? 0.925908 0.919907 1.07386 0.138599 0.0458931 0.162405 121 SER B O +2582 C CB . SER B 127 ? 0.991124 0.980812 1.13665 0.101333 0.0316731 0.152099 121 SER B CB +2583 O OG . SER B 127 ? 0.906407 0.90581 1.05325 0.112278 0.039305 0.152433 121 SER B OG +2584 N N . ASP B 128 ? 1.04307 1.05176 1.205 0.117934 0.0317595 0.174717 122 ASP B N +2585 C CA . ASP B 128 ? 1.10992 1.14183 1.28538 0.129646 0.0343992 0.189492 122 ASP B CA +2586 C C . ASP B 128 ? 1.07361 1.13408 1.26064 0.136796 0.0397631 0.198383 122 ASP B C +2587 O O . ASP B 128 ? 1.09203 1.16697 1.28486 0.154036 0.0475188 0.206309 122 ASP B O +2588 C CB . ASP B 128 ? 1.13981 1.18418 1.32565 0.120028 0.0250671 0.20136 122 ASP B CB +2589 C CG . ASP B 128 ? 1.25416 1.27524 1.43042 0.118703 0.0220555 0.196559 122 ASP B CG +2590 O OD1 . ASP B 128 ? 1.31074 1.30441 1.47201 0.119744 0.0249807 0.182975 122 ASP B OD1 +2591 O OD2 . ASP B 128 ? 1.19218 1.22292 1.37614 0.116356 0.0164355 0.207252 122 ASP B OD2 +2592 N N . GLU B 129 ? 1.15162 1.21818 1.34004 0.124409 0.0361305 0.196364 123 GLU B N +2593 C CA . GLU B 129 ? 1.25549 1.34953 1.45495 0.126753 0.0394866 0.205134 123 GLU B CA +2594 C C . GLU B 129 ? 1.10497 1.19213 1.29448 0.144632 0.0519635 0.197336 123 GLU B C +2595 O O . GLU B 129 ? 1.11508 1.22708 1.31348 0.15809 0.059576 0.207831 123 GLU B O +2596 C CB . GLU B 129 ? 1.38007 1.47357 1.57917 0.106805 0.0302756 0.202513 123 GLU B CB +2597 C CG . GLU B 129 ? 1.48882 1.56737 1.68332 0.0902781 0.0181959 0.200163 123 GLU B CG +2598 C CD . GLU B 129 ? 1.47669 1.56307 1.67513 0.071312 0.00542221 0.206368 123 GLU B CD +2599 O OE1 . GLU B 129 ? 1.43917 1.5169 1.63429 0.0616897 -0.00410182 0.208149 123 GLU B OE1 +2600 O OE2 . GLU B 129 ? 1.36879 1.46731 1.57155 0.0661411 0.0042002 0.209341 123 GLU B OE2 +2601 N N . GLN B 130 ? 1.01411 1.0676 1.18433 0.14483 0.0536973 0.179577 124 GLN B N +2602 C CA . GLN B 130 ? 0.996508 1.03684 1.1527 0.159843 0.0632845 0.170303 124 GLN B CA +2603 C C . GLN B 130 ? 1.07759 1.11343 1.22872 0.181549 0.0709499 0.173169 124 GLN B C +2604 O O . GLN B 130 ? 1.19073 1.23041 1.33555 0.199492 0.080354 0.173669 124 GLN B O +2605 C CB . GLN B 130 ? 0.975439 0.979828 1.11238 0.153034 0.0612765 0.151726 124 GLN B CB +2606 C CG . GLN B 130 ? 1.01693 1.00851 1.13856 0.16568 0.0690988 0.142661 124 GLN B CG +2607 C CD . GLN B 130 ? 1.03816 0.992306 1.1402 0.160982 0.0665489 0.125831 124 GLN B CD +2608 O OE1 . GLN B 130 ? 0.999643 0.938578 1.10039 0.148511 0.0597835 0.121115 124 GLN B OE1 +2609 N NE2 . GLN B 130 ? 1.02063 0.960854 1.10721 0.170734 0.0716633 0.117655 124 GLN B NE2 +2610 N N . LEU B 131 ? 1.06102 1.08662 1.21269 0.180794 0.0669171 0.174674 125 LEU B N +2611 C CA . LEU B 131 ? 1.13082 1.14995 1.27702 0.201235 0.0730248 0.177755 125 LEU B CA +2612 C C . LEU B 131 ? 1.17884 1.23779 1.34322 0.21495 0.0791922 0.196404 125 LEU B C +2613 O O . LEU B 131 ? 1.4908 1.54979 1.64869 0.237942 0.0883474 0.199139 125 LEU B O +2614 C CB . LEU B 131 ? 1.24168 1.24293 1.38624 0.194107 0.0659127 0.176348 125 LEU B CB +2615 C CG . LEU B 131 ? 1.25599 1.22001 1.38352 0.182053 0.0605616 0.160114 125 LEU B CG +2616 C CD1 . LEU B 131 ? 1.31051 1.26806 1.44211 0.171991 0.0530037 0.163271 125 LEU B CD1 +2617 C CD2 . LEU B 131 ? 1.24824 1.17873 1.35261 0.19618 0.0654384 0.147855 125 LEU B CD2 +2618 N N . LYS B 132 ? 1.08232 1.17511 1.26866 0.201337 0.0739036 0.209978 126 LYS B N +2619 C CA . LYS B 132 ? 1.07309 1.20873 1.2797 0.212109 0.0791253 0.230085 126 LYS B CA +2620 C C . LYS B 132 ? 1.11038 1.2583 1.3128 0.226222 0.0900963 0.230255 126 LYS B C +2621 O O . LYS B 132 ? 1.28126 1.45907 1.49418 0.243948 0.0988085 0.244805 126 LYS B O +2622 C CB . LYS B 132 ? 1.16166 1.32573 1.39103 0.190849 0.0676518 0.244685 126 LYS B CB +2623 C CG . LYS B 132 ? 1.18805 1.35067 1.424 0.188105 0.0609148 0.25147 126 LYS B CG +2624 C CD . LYS B 132 ? 1.19874 1.36387 1.44308 0.162525 0.0457256 0.255559 126 LYS B CD +2625 C CE . LYS B 132 ? 1.17258 1.32435 1.41508 0.161501 0.0403204 0.256372 126 LYS B CE +2626 N NZ . LYS B 132 ? 1.14025 1.286 1.38357 0.137957 0.0259594 0.25655 126 LYS B NZ +2627 N N . SER B 133 ? 1.27413 1.40027 1.46106 0.21963 0.0901815 0.214973 127 SER B N +2628 C CA . SER B 133 ? 1.38399 1.51559 1.562 0.233942 0.100652 0.212729 127 SER B CA +2629 C C . SER B 133 ? 1.41802 1.51413 1.56786 0.256409 0.109199 0.198618 127 SER B C +2630 O O . SER B 133 ? 1.85642 1.94759 1.99213 0.268316 0.117038 0.193023 127 SER B O +2631 C CB . SER B 133 ? 1.38793 1.51505 1.56325 0.215703 0.0958702 0.204507 127 SER B CB +2632 O OG . SER B 133 ? 1.30067 1.38441 1.45482 0.207484 0.0912394 0.183867 127 SER B OG +2633 N N . GLY B 134 ? 1.18434 1.25322 1.32379 0.261741 0.106809 0.192626 128 GLY B N +2634 C CA . GLY B 134 ? 1.11501 1.14737 1.22616 0.283183 0.112976 0.180652 128 GLY B CA +2635 C C . GLY B 134 ? 1.18271 1.17144 1.26816 0.275266 0.108938 0.159682 128 GLY B C +2636 O O . GLY B 134 ? 1.24183 1.20131 1.30086 0.292838 0.114003 0.149649 128 GLY B O +2637 N N . THR B 135 ? 1.22866 1.21162 1.32028 0.249396 0.0993109 0.153311 129 THR B N +2638 C CA . THR B 135 ? 1.30303 1.24627 1.37317 0.240226 0.0942457 0.135159 129 THR B CA +2639 C C . THR B 135 ? 1.25371 1.18107 1.32832 0.218945 0.0833142 0.130357 129 THR B C +2640 O O . THR B 135 ? 1.1229 1.07093 1.21678 0.209338 0.0792666 0.140221 129 THR B O +2641 C CB . THR B 135 ? 1.3441 1.29399 1.41188 0.233524 0.0957258 0.130264 129 THR B CB +2642 O OG1 . THR B 135 ? 1.36006 1.35169 1.45393 0.222828 0.0952162 0.143649 129 THR B OG1 +2643 C CG2 . THR B 135 ? 1.387 1.32691 1.43354 0.256378 0.105346 0.126079 129 THR B CG2 +2644 N N . ALA B 136 ? 1.2585 1.14854 1.31391 0.212454 0.0784258 0.115846 130 ALA B N +2645 C CA . ALA B 136 ? 1.12765 1.00169 1.18512 0.193728 0.0691203 0.111231 130 ALA B CA +2646 C C . ALA B 136 ? 1.11189 0.964097 1.15767 0.180909 0.0645433 0.0985599 130 ALA B C +2647 O O . ALA B 136 ? 0.944177 0.770869 0.969468 0.18882 0.0656032 0.0894168 130 ALA B O +2648 C CB . ALA B 136 ? 1.1175 0.966825 1.16473 0.201411 0.0669274 0.110471 130 ALA B CB +2649 N N . SER B 137 ? 1.1352 0.997071 1.19321 0.161319 0.0589235 0.0985168 131 SER B N +2650 C CA . SER B 137 ? 1.09339 0.939869 1.14416 0.148189 0.054505 0.0885275 131 SER B CA +2651 C C . SER B 137 ? 1.05648 0.896867 1.11301 0.132114 0.0474835 0.0881639 131 SER B C +2652 O O . SER B 137 ? 1.06187 0.921959 1.13276 0.12302 0.0454545 0.0943328 131 SER B O +2653 C CB . SER B 137 ? 1.06031 0.927669 1.11837 0.143084 0.0565191 0.0887544 131 SER B CB +2654 O OG . SER B 137 ? 1.02667 0.898197 1.07705 0.158811 0.0636469 0.0889589 131 SER B OG +2655 N N . VAL B 138 ? 1.08443 0.896071 1.12801 0.128728 0.0432565 0.0812944 132 VAL B N +2656 C CA . VAL B 138 ? 1.07898 0.885304 1.12703 0.113832 0.0373481 0.0813021 132 VAL B CA +2657 C C . VAL B 138 ? 1.00093 0.806392 1.04838 0.101899 0.0349456 0.0750629 132 VAL B C +2658 O O . VAL B 138 ? 0.905366 0.695813 0.941222 0.104348 0.034642 0.0683422 132 VAL B O +2659 C CB . VAL B 138 ? 1.08282 0.860668 1.11914 0.115858 0.0333012 0.0800017 132 VAL B CB +2660 C CG1 . VAL B 138 ? 1.09756 0.874934 1.14065 0.101504 0.0282438 0.0828869 132 VAL B CG1 +2661 C CG2 . VAL B 138 ? 1.10664 0.882321 1.14033 0.131387 0.0363605 0.0852217 132 VAL B CG2 +2662 N N . VAL B 139 ? 0.995742 0.816384 1.05423 0.0898829 0.0330122 0.0774412 133 VAL B N +2663 C CA . VAL B 139 ? 0.980181 0.802623 1.03914 0.0798427 0.031242 0.0724938 133 VAL B CA +2664 C C . VAL B 139 ? 0.986704 0.80175 1.04666 0.0686693 0.0269869 0.0727915 133 VAL B C +2665 O O . VAL B 139 ? 0.9007 0.723023 0.966546 0.0652146 0.026229 0.0780255 133 VAL B O +2666 C CB . VAL B 139 ? 0.969531 0.815523 1.03803 0.076688 0.0327726 0.07471 133 VAL B CB +2667 C CG1 . VAL B 139 ? 1.0442 0.88959 1.11132 0.068314 0.0311335 0.0690629 133 VAL B CG1 +2668 C CG2 . VAL B 139 ? 0.923846 0.782668 0.994579 0.0871286 0.0371412 0.0777387 133 VAL B CG2 +2669 N N . CYS B 140 ? 1.0513 0.852457 1.10517 0.0631588 0.0240304 0.0680243 134 CYS B N +2670 C CA . CYS B 140 ? 0.94469 0.742398 1.00111 0.0523207 0.0203226 0.0698481 134 CYS B CA +2671 C C . CYS B 140 ? 0.933856 0.744618 0.995173 0.0457672 0.0208843 0.0674374 134 CYS B C +2672 O O . CYS B 140 ? 1.01617 0.824184 1.07361 0.0466446 0.0208576 0.0622061 134 CYS B O +2673 C CB . CYS B 140 ? 1.05652 0.829816 1.10338 0.0497514 0.015045 0.0680775 134 CYS B CB +2674 S SG . CYS B 140 ? 1.22179 0.992688 1.27402 0.0363974 0.00994428 0.0746016 134 CYS B SG +2675 N N . LEU B 141 ? 0.955369 0.779438 1.02354 0.0404493 0.0215051 0.0712701 135 LEU B N +2676 C CA . LEU B 141 ? 0.85743 0.692846 0.928869 0.0355487 0.0220653 0.0695178 135 LEU B CA +2677 C C . LEU B 141 ? 0.796102 0.631246 0.870283 0.0280139 0.0203294 0.0727534 135 LEU B C +2678 O O . LEU B 141 ? 0.833457 0.668628 0.909492 0.0261227 0.0200814 0.0785024 135 LEU B O +2679 C CB . LEU B 141 ? 0.921495 0.770996 0.995564 0.0370021 0.0238498 0.0717035 135 LEU B CB +2680 C CG . LEU B 141 ? 1.03633 0.895196 1.11085 0.0334986 0.0240908 0.0701891 135 LEU B CG +2681 C CD1 . LEU B 141 ? 1.13769 0.997072 1.21143 0.0338992 0.02388 0.0647352 135 LEU B CD1 +2682 C CD2 . LEU B 141 ? 1.01106 0.878127 1.08369 0.0343763 0.0238857 0.0725251 135 LEU B CD2 +2683 N N . LEU B 142 ? 0.793508 0.629838 0.868651 0.0237079 0.0190722 0.0702127 136 LEU B N +2684 C CA . LEU B 142 ? 0.811445 0.654311 0.891965 0.0169221 0.0181755 0.0750815 136 LEU B CA +2685 C C . LEU B 142 ? 0.893574 0.750926 0.97611 0.0179049 0.0211103 0.0733882 136 LEU B C +2686 O O . LEU B 142 ? 0.882402 0.739222 0.962609 0.0195301 0.0208783 0.0675159 136 LEU B O +2687 C CB . LEU B 142 ? 0.797669 0.629922 0.877922 0.0105098 0.0129296 0.0749603 136 LEU B CB +2688 C CG . LEU B 142 ? 0.881056 0.69305 0.955665 0.00884263 0.00784787 0.0762493 136 LEU B CG +2689 C CD1 . LEU B 142 ? 0.860508 0.659278 0.925418 0.0178642 0.00878664 0.0696517 136 LEU B CD1 +2690 C CD2 . LEU B 142 ? 0.910061 0.712073 0.98398 -0.00010469 0.00062756 0.0775539 136 LEU B CD2 +2691 N N . ASN B 143 ? 0.992706 0.861748 1.07785 0.0178813 0.0238644 0.0785846 137 ASN B N +2692 C CA . ASN B 143 ? 1.09042 0.969377 1.17321 0.0213692 0.0265147 0.0764496 137 ASN B CA +2693 C C . ASN B 143 ? 1.20665 1.09691 1.29462 0.019253 0.028065 0.0809919 137 ASN B C +2694 O O . ASN B 143 ? 1.05742 0.954562 1.15008 0.0173161 0.029533 0.0889526 137 ASN B O +2695 C CB . ASN B 143 ? 1.0591 0.940051 1.13552 0.0264035 0.0284436 0.0773503 137 ASN B CB +2696 C CG . ASN B 143 ? 1.25564 1.14123 1.32537 0.0303345 0.0294462 0.0743934 137 ASN B CG +2697 O OD1 . ASN B 143 ? 1.48612 1.3692 1.55353 0.0306936 0.0274525 0.0689134 137 ASN B OD1 +2698 N ND2 . ASN B 143 ? 1.13289 1.02392 1.19756 0.034037 0.0322868 0.0781667 137 ASN B ND2 +2699 N N . ASN B 144 ? 1.37681 1.27061 1.46444 0.0200344 0.0278905 0.0768791 138 ASN B N +2700 C CA . ASN B 144 ? 1.2265 1.13336 1.31804 0.0209248 0.0302429 0.080897 138 ASN B CA +2701 C C . ASN B 144 ? 1.07851 0.99337 1.18146 0.0141809 0.0292045 0.0900979 138 ASN B C +2702 O O . ASN B 144 ? 1.01779 0.946841 1.125 0.0160827 0.0331364 0.0985717 138 ASN B O +2703 C CB . ASN B 144 ? 1.23274 1.14508 1.31574 0.0293111 0.034716 0.0817276 138 ASN B CB +2704 C CG . ASN B 144 ? 1.26776 1.17269 1.34025 0.0337112 0.0332405 0.0735286 138 ASN B CG +2705 O OD1 . ASN B 144 ? 1.18994 1.08618 1.25547 0.0347649 0.0313764 0.0701567 138 ASN B OD1 +2706 N ND2 . ASN B 144 ? 1.50582 1.41453 1.57758 0.0357488 0.0333113 0.0712839 138 ASN B ND2 +2707 N N . PHE B 145 ? 0.925873 0.831817 1.03285 0.00644517 0.0234394 0.0890272 139 PHE B N +2708 C CA . PHE B 145 ? 0.822979 0.733451 0.940143 -0.00255908 0.019403 0.0980928 139 PHE B CA +2709 C C . PHE B 145 ? 0.847668 0.762839 0.970287 -0.00715854 0.015693 0.0980464 139 PHE B C +2710 O O . PHE B 145 ? 0.921375 0.828242 1.03796 -0.00535908 0.0141947 0.0889589 139 PHE B O +2711 C CB . PHE B 145 ? 0.84324 0.734304 0.957132 -0.00851288 0.0133105 0.0971715 139 PHE B CB +2712 C CG . PHE B 145 ? 0.839299 0.710887 0.943536 -0.00763425 0.00943984 0.0861785 139 PHE B CG +2713 C CD1 . PHE B 145 ? 0.851716 0.716034 0.947405 0.00018411 0.0127121 0.0783415 139 PHE B CD1 +2714 C CD2 . PHE B 145 ? 0.909047 0.770164 1.0123 -0.01457 0.00221938 0.0847764 139 PHE B CD2 +2715 C CE1 . PHE B 145 ? 0.898752 0.748824 0.986239 0.00229052 0.0103961 0.0698823 139 PHE B CE1 +2716 C CE2 . PHE B 145 ? 0.984949 0.828355 1.07707 -0.0120498 -0.0004436 0.0748669 139 PHE B CE2 +2717 C CZ . PHE B 145 ? 0.951155 0.79041 1.03593 -0.00302432 0.00439698 0.0677697 139 PHE B CZ +2718 N N . TYR B 146 ? 0.918208 0.847563 1.05305 -0.0139254 0.0135469 0.109414 140 TYR B N +2719 C CA . TYR B 146 ? 0.914816 0.849466 1.05658 -0.0201819 0.00838869 0.11161 140 TYR B CA +2720 C C . TYR B 146 ? 0.908219 0.845269 1.06071 -0.0333125 0.00050004 0.124126 140 TYR B C +2721 O O . TYR B 146 ? 1.04 0.991509 1.20121 -0.0347452 0.00321764 0.135861 140 TYR B O +2722 C CB . TYR B 146 ? 0.952438 0.910236 1.10081 -0.0133459 0.0145313 0.115395 140 TYR B CB +2723 C CG . TYR B 146 ? 0.887529 0.848797 1.0419 -0.0193034 0.00863409 0.116083 140 TYR B CG +2724 C CD1 . TYR B 146 ? 0.954226 0.902341 1.09896 -0.0167331 0.00681896 0.103869 140 TYR B CD1 +2725 C CD2 . TYR B 146 ? 0.895939 0.873677 1.06584 -0.0284847 0.00401004 0.129905 140 TYR B CD2 +2726 C CE1 . TYR B 146 ? 1.13872 1.08794 1.28746 -0.0226773 0.00063952 0.104192 140 TYR B CE1 +2727 C CE2 . TYR B 146 ? 1.0066 0.986286 1.18168 -0.0351267 -0.00288966 0.130983 140 TYR B CE2 +2728 C CZ . TYR B 146 ? 1.19923 1.16357 1.36287 -0.0319787 -0.0045348 0.117492 140 TYR B CZ +2729 O OH . TYR B 146 ? 1.32711 1.2923 1.49468 -0.0387369 -0.0118162 0.118549 140 TYR B OH +2730 N N . PRO B 147 ? 0.908165 0.83093 1.05965 -0.0438378 -0.0102125 0.123245 141 PRO B N +2731 C CA . PRO B 147 ? 1.00246 0.90891 1.14327 -0.0427067 -0.0138709 0.110791 141 PRO B CA +2732 C C . PRO B 147 ? 1.16627 1.04442 1.28944 -0.0387147 -0.0151566 0.0977486 141 PRO B C +2733 O O . PRO B 147 ? 1.12125 0.990891 1.24043 -0.0369612 -0.0137319 0.0980752 141 PRO B O +2734 C CB . PRO B 147 ? 0.956213 0.860664 1.10337 -0.0565605 -0.0257666 0.118374 141 PRO B CB +2735 C CG . PRO B 147 ? 0.96355 0.864958 1.11624 -0.066731 -0.0320118 0.130097 141 PRO B CG +2736 C CD . PRO B 147 ? 0.981075 0.902393 1.14103 -0.0584182 -0.0205596 0.135758 141 PRO B CD +2737 N N . ARG B 148 ? 1.10722 0.97211 1.22035 -0.0372999 -0.0180637 0.0876084 142 ARG B N +2738 C CA . ARG B 148 ? 1.0923 0.934786 1.18888 -0.0309136 -0.0175211 0.0755274 142 ARG B CA +2739 C C . ARG B 148 ? 1.02347 0.840209 1.10962 -0.0354493 -0.0250641 0.0753854 142 ARG B C +2740 O O . ARG B 148 ? 1.09927 0.900802 1.17355 -0.0278247 -0.0224091 0.0681 142 ARG B O +2741 C CB . ARG B 148 ? 1.1881 1.02519 1.27746 -0.0295737 -0.0195118 0.0674068 142 ARG B CB +2742 C CG . ARG B 148 ? 1.35058 1.17232 1.42471 -0.0204411 -0.016219 0.0558536 142 ARG B CG +2743 C CD . ARG B 148 ? 1.45604 1.26871 1.5209 -0.0209944 -0.020206 0.0492276 142 ARG B CD +2744 N NE . ARG B 148 ? 1.5601 1.36018 1.61059 -0.0115597 -0.0164103 0.0399511 142 ARG B NE +2745 C CZ . ARG B 148 ? 1.86322 1.67367 1.91358 -0.00469738 -0.0101131 0.0355406 142 ARG B CZ +2746 N NH1 . ARG B 148 ? 1.96499 1.79517 2.02664 -0.00549823 -0.00714887 0.0382174 142 ARG B NH1 +2747 N NH2 . ARG B 148 ? 1.92618 1.72707 1.96453 0.00332729 -0.00704721 0.0292819 142 ARG B NH2 +2748 N N . GLU B 149 ? 0.954479 0.765898 1.04456 -0.0476942 -0.0350568 0.0841091 143 GLU B N +2749 C CA . GLU B 149 ? 1.05984 0.841424 1.13671 -0.053168 -0.0449593 0.0838797 143 GLU B CA +2750 C C . GLU B 149 ? 1.02036 0.803119 1.10049 -0.0507614 -0.0410221 0.0887801 143 GLU B C +2751 O O . GLU B 149 ? 1.1778 0.977002 1.27257 -0.0581057 -0.0418073 0.101244 143 GLU B O +2752 C CB . GLU B 149 ? 1.28784 1.06072 1.3666 -0.0690737 -0.0594714 0.0925982 143 GLU B CB +2753 C CG . GLU B 149 ? 1.60066 1.36869 1.67404 -0.0727166 -0.0655814 0.0880546 143 GLU B CG +2754 C CD . GLU B 149 ? 1.81733 1.61773 1.90854 -0.0733533 -0.0605599 0.0924561 143 GLU B CD +2755 O OE1 . GLU B 149 ? 1.75083 1.54908 1.83499 -0.0685331 -0.0590205 0.0835855 143 GLU B OE1 +2756 O OE2 . GLU B 149 ? 1.9595 1.78787 2.07125 -0.0778399 -0.0578887 0.105291 143 GLU B OE2 +2757 N N . ALA B 150 ? 1.14831 0.914522 1.21488 -0.0402471 -0.0368622 0.0798888 144 ALA B N +2758 C CA . ALA B 150 ? 1.31216 1.07499 1.37882 -0.037012 -0.0339927 0.0833181 144 ALA B CA +2759 C C . ALA B 150 ? 1.33348 1.06259 1.37918 -0.0309491 -0.0381779 0.0754255 144 ALA B C +2760 O O . ALA B 150 ? 1.34273 1.06175 1.37589 -0.0215531 -0.0353476 0.0649356 144 ALA B O +2761 C CB . ALA B 150 ? 1.31497 1.10136 1.39017 -0.0269235 -0.0211361 0.0820384 144 ALA B CB +2762 N N . LYS B 151 ? 1.40998 1.12205 1.45131 -0.035408 -0.044602 0.0810637 145 LYS B N +2763 C CA . LYS B 151 ? 1.47875 1.15665 1.49835 -0.028041 -0.0487245 0.0740999 145 LYS B CA +2764 C C . LYS B 151 ? 1.34901 1.03294 1.37049 -0.0168619 -0.0394933 0.0737047 145 LYS B C +2765 O O . LYS B 151 ? 1.34008 1.04051 1.37537 -0.0210316 -0.0369403 0.0826119 145 LYS B O +2766 C CB . LYS B 151 ? 1.58193 1.22927 1.59048 -0.039905 -0.0643517 0.0796217 145 LYS B CB +2767 C CG . LYS B 151 ? 1.76098 1.36699 1.74119 -0.0299971 -0.0694495 0.0704351 145 LYS B CG +2768 C CD . LYS B 151 ? 1.89627 1.46438 1.86038 -0.0406721 -0.0865558 0.0751751 145 LYS B CD +2769 C CE . LYS B 151 ? 1.8572 1.41059 1.81572 -0.0564664 -0.10169 0.0781952 145 LYS B CE +2770 N NZ . LYS B 151 ? 1.73258 1.26721 1.69008 -0.0734593 -0.117746 0.0902577 145 LYS B NZ +2771 N N . VAL B 152 ? 1.28376 0.955087 1.29109 -0.00232495 -0.034572 0.0641697 146 VAL B N +2772 C CA . VAL B 152 ? 1.25384 0.92852 1.26148 0.00887767 -0.0271305 0.0641124 146 VAL B CA +2773 C C . VAL B 152 ? 1.33507 0.97339 1.32026 0.0168996 -0.0327074 0.0599413 146 VAL B C +2774 O O . VAL B 152 ? 1.3911 1.0102 1.35836 0.0248946 -0.034028 0.0514187 146 VAL B O +2775 C CB . VAL B 152 ? 1.25453 0.95109 1.26721 0.0205422 -0.0154741 0.0584593 146 VAL B CB +2776 C CG1 . VAL B 152 ? 1.3279 1.02689 1.33979 0.0327143 -0.0088726 0.0588085 146 VAL B CG1 +2777 C CG2 . VAL B 152 ? 1.33895 1.06758 1.37044 0.0141423 -0.0104572 0.0619502 146 VAL B CG2 +2778 N N . GLN B 153 ? 1.32027 0.948727 1.30485 0.016286 -0.035468 0.0658179 147 GLN B N +2779 C CA . GLN B 153 ? 1.39061 0.983746 1.35245 0.0265824 -0.0399582 0.0616363 147 GLN B CA +2780 C C . GLN B 153 ? 1.27538 0.880112 1.24163 0.0404367 -0.0301269 0.0624472 147 GLN B C +2781 O O . GLN B 153 ? 1.15451 0.783105 1.13877 0.0361623 -0.0257638 0.0696694 147 GLN B O +2782 C CB . GLN B 153 ? 1.45568 1.01733 1.40677 0.0152451 -0.0544839 0.0672175 147 GLN B CB +2783 C CG . GLN B 153 ? 1.59815 1.1373 1.53653 0.00433315 -0.0669111 0.0648309 147 GLN B CG +2784 C CD . GLN B 153 ? 1.81971 1.31631 1.73854 -0.00376543 -0.0835421 0.0682646 147 GLN B CD +2785 O OE1 . GLN B 153 ? 2.09533 1.59123 2.02191 -0.0116458 -0.0878733 0.078076 147 GLN B OE1 +2786 N NE2 . GLN B 153 ? 1.93709 1.39636 1.82892 -0.0022708 -0.0938102 0.0605546 147 GLN B NE2 +2787 N N . TRP B 154 ? 1.25718 0.844678 1.20576 0.0575348 -0.0269223 0.0554253 148 TRP B N +2788 C CA . TRP B 154 ? 1.20636 0.801913 1.15713 0.0721367 -0.0187495 0.056978 148 TRP B CA +2789 C C . TRP B 154 ? 1.36048 0.921003 1.2937 0.0769351 -0.0262425 0.0586405 148 TRP B C +2790 O O . TRP B 154 ? 1.52487 1.04831 1.43269 0.0820393 -0.0336818 0.0527624 148 TRP B O +2791 C CB . TRP B 154 ? 1.13257 0.735534 1.07657 0.0895099 -0.00939413 0.0501623 148 TRP B CB +2792 C CG . TRP B 154 ? 1.13103 0.772953 1.09552 0.0863306 -0.00085419 0.0508037 148 TRP B CG +2793 C CD1 . TRP B 154 ? 1.24436 0.893553 1.20805 0.084172 0.00056035 0.0455311 148 TRP B CD1 +2794 C CD2 . TRP B 154 ? 1.1543 0.830572 1.14068 0.0855453 0.00654922 0.057032 148 TRP B CD2 +2795 N NE1 . TRP B 154 ? 1.2617 0.946568 1.24535 0.0818255 0.00806205 0.0481573 148 TRP B NE1 +2796 C CE2 . TRP B 154 ? 1.18965 0.890715 1.18659 0.0825155 0.0114471 0.0550136 148 TRP B CE2 +2797 C CE3 . TRP B 154 ? 1.15823 0.845015 1.15483 0.0867478 0.00857593 0.0642052 148 TRP B CE3 +2798 C CZ2 . TRP B 154 ? 1.15181 0.884701 1.16721 0.0805393 0.0172981 0.0596728 148 TRP B CZ2 +2799 C CZ3 . TRP B 154 ? 1.1232 0.842519 1.13825 0.0848075 0.0146131 0.0687567 148 TRP B CZ3 +2800 C CH2 . TRP B 154 ? 1.13831 0.879188 1.16172 0.0819813 0.0186028 0.0663695 148 TRP B CH2 +2801 N N . LYS B 155 ? 1.40585 0.976748 1.35099 0.0755763 -0.0247258 0.0665826 149 LYS B N +2802 C CA . LYS B 155 ? 1.45525 0.995422 1.38527 0.0815779 -0.0308858 0.0690411 149 LYS B CA +2803 C C . LYS B 155 ? 1.36047 0.917715 1.29723 0.0978667 -0.0206599 0.0715319 149 LYS B C +2804 O O . LYS B 155 ? 1.23725 0.829396 1.19639 0.0941814 -0.0137667 0.0772357 149 LYS B O +2805 C CB . LYS B 155 ? 1.46044 0.990783 1.39556 0.0632311 -0.0416285 0.0779344 149 LYS B CB +2806 C CG . LYS B 155 ? 1.61859 1.1257 1.5436 0.047857 -0.0544703 0.0770041 149 LYS B CG +2807 C CD . LYS B 155 ? 1.78696 1.29164 1.72147 0.0277413 -0.0647999 0.0886567 149 LYS B CD +2808 C CE . LYS B 155 ? 1.83399 1.33035 1.76745 0.00999726 -0.0757885 0.090424 149 LYS B CE +2809 N NZ . LYS B 155 ? 1.88532 1.38067 1.82855 -0.00900397 -0.0859902 0.10396 149 LYS B NZ +2810 N N . VAL B 156 ? 1.35496 0.88665 1.27057 0.116735 -0.0200054 0.0671857 150 VAL B N +2811 C CA . VAL B 156 ? 1.3548 0.898418 1.27446 0.133823 -0.0116994 0.0708326 150 VAL B CA +2812 C C . VAL B 156 ? 1.33927 0.845626 1.24104 0.13874 -0.0201208 0.0733248 150 VAL B C +2813 O O . VAL B 156 ? 1.53934 1.00546 1.41274 0.148337 -0.026167 0.0669235 150 VAL B O +2814 C CB . VAL B 156 ? 1.33277 0.883882 1.24444 0.15509 -0.00154705 0.0652193 150 VAL B CB +2815 C CG1 . VAL B 156 ? 1.4133 0.976299 1.32887 0.174032 0.00638883 0.0708225 150 VAL B CG1 +2816 C CG2 . VAL B 156 ? 1.16851 0.755806 1.09779 0.149357 0.00587078 0.0636059 150 VAL B CG2 +2817 N N . ASP B 157 ? 1.30523 0.823167 1.22167 0.132343 -0.0210518 0.0825198 151 ASP B N +2818 C CA . ASP B 157 ? 1.42613 0.910579 1.32826 0.134033 -0.0300175 0.0865356 151 ASP B CA +2819 C C . ASP B 157 ? 1.4542 0.901887 1.34015 0.117978 -0.0449195 0.0848336 151 ASP B C +2820 O O . ASP B 157 ? 1.53512 0.937954 1.39433 0.124242 -0.0545435 0.0822335 151 ASP B O +2821 C CB . ASP B 157 ? 1.52067 0.983627 1.40271 0.160156 -0.0265066 0.0835373 151 ASP B CB +2822 C CG . ASP B 157 ? 1.51929 1.01779 1.41972 0.174095 -0.0144471 0.0898161 151 ASP B CG +2823 O OD1 . ASP B 157 ? 1.35474 0.892908 1.28231 0.162605 -0.00957896 0.0958675 151 ASP B OD1 +2824 O OD2 . ASP B 157 ? 1.44709 0.933218 1.33369 0.196975 -0.0102525 0.0890163 151 ASP B OD2 +2825 N N . ASN B 158 ? 1.53589 1.00253 1.43748 0.0976097 -0.0472504 0.0868167 152 ASN B N +2826 C CA . ASN B 158 ? 1.51851 0.958997 1.41138 0.0785854 -0.0618212 0.0886498 152 ASN B CA +2827 C C . ASN B 158 ? 1.54322 0.945014 1.40679 0.0844828 -0.0691636 0.0779554 152 ASN B C +2828 O O . ASN B 158 ? 1.6024 0.970637 1.45074 0.0715052 -0.0842301 0.0787762 152 ASN B O +2829 C CB . ASN B 158 ? 1.43674 0.85807 1.32757 0.0701196 -0.0717503 0.0986255 152 ASN B CB +2830 C CG . ASN B 158 ? 1.50518 0.936306 1.41117 0.0442388 -0.08033 0.108602 152 ASN B CG +2831 O OD1 . ASN B 158 ? 1.75681 1.20921 1.67514 0.0328268 -0.0788772 0.108042 152 ASN B OD1 +2832 N ND2 . ASN B 158 ? 1.50157 0.92034 1.40826 0.0351074 -0.0887116 0.119046 152 ASN B ND2 +2833 N N . ALA B 159 ? 1.58257 0.990202 1.43826 0.103053 -0.0590165 0.0686196 153 ALA B N +2834 C CA . ALA B 159 ? 1.63466 1.00604 1.45976 0.112057 -0.0642804 0.0578214 153 ALA B CA +2835 C C . ALA B 159 ? 1.60082 1.00084 1.43742 0.108275 -0.0570965 0.0526646 153 ALA B C +2836 O O . ALA B 159 ? 1.50731 0.948561 1.36485 0.114911 -0.0430343 0.0533685 153 ALA B O +2837 C CB . ALA B 159 ? 1.62027 0.970776 1.42201 0.140565 -0.058082 0.0518813 153 ALA B CB +2838 N N . LEU B 160 ? 1.5696 0.945234 1.39074 0.0977875 -0.0678951 0.0478258 154 LEU B N +2839 C CA . LEU B 160 ? 1.45872 0.859372 1.29156 0.0899255 -0.063881 0.0442725 154 LEU B CA +2840 C C . LEU B 160 ? 1.39887 0.800152 1.21686 0.112189 -0.0531602 0.0342374 154 LEU B C +2841 O O . LEU B 160 ? 1.57897 0.940825 1.36416 0.128113 -0.0567592 0.0271099 154 LEU B O +2842 C CB . LEU B 160 ? 1.56903 0.941549 1.38998 0.070249 -0.0809446 0.0442406 154 LEU B CB +2843 C CG . LEU B 160 ? 1.57788 0.966158 1.4228 0.0444428 -0.0893186 0.0566299 154 LEU B CG +2844 C CD1 . LEU B 160 ? 1.43646 0.803602 1.27849 0.03727 -0.0993455 0.0657603 154 LEU B CD1 +2845 C CD2 . LEU B 160 ? 1.7477 1.1226 1.58662 0.0269087 -0.102221 0.0561165 154 LEU B CD2 +2846 N N . GLN B 161 ? 1.38419 0.82937 1.22486 0.113637 -0.0402801 0.0340892 155 GLN B N +2847 C CA . GLN B 161 ? 1.50326 0.956713 1.3345 0.133581 -0.0289631 0.0269908 155 GLN B CA +2848 C C . GLN B 161 ? 1.62433 1.06784 1.44334 0.127657 -0.0334062 0.0195591 155 GLN B C +2849 O O . GLN B 161 ? 1.63072 1.08441 1.46399 0.106736 -0.0399355 0.022108 155 GLN B O +2850 C CB . GLN B 161 ? 1.4453 0.952145 1.3085 0.136645 -0.0140153 0.0323947 155 GLN B CB +2851 C CG . GLN B 161 ? 1.2932 0.814355 1.17146 0.140234 -0.0100435 0.04074 155 GLN B CG +2852 C CD . GLN B 161 ? 1.28736 0.782056 1.14294 0.162948 -0.00821907 0.0391744 155 GLN B CD +2853 O OE1 . GLN B 161 ? 1.25414 0.755441 1.1017 0.183721 0.00169895 0.0365509 155 GLN B OE1 +2854 N NE2 . GLN B 161 ? 1.34736 0.811274 1.19173 0.159661 -0.0180398 0.0416299 155 GLN B NE2 +2855 N N . SER B 162 ? 1.63099 1.05727 1.42434 0.146865 -0.0291122 0.0111612 156 SER B N +2856 C CA . SER B 162 ? 1.62842 1.04781 1.4097 0.143155 -0.0319501 0.00404913 156 SER B CA +2857 C C . SER B 162 ? 1.61686 1.05926 1.39661 0.16285 -0.0167386 0.00033376 156 SER B C +2858 O O . SER B 162 ? 1.48905 0.925708 1.25525 0.1858 -0.00847973 -0.00061247 156 SER B O +2859 C CB . SER B 162 ? 1.69666 1.05844 1.43837 0.143608 -0.0472516 -0.00320571 156 SER B CB +2860 O OG . SER B 162 ? 1.84076 1.18353 1.586 0.123393 -0.0623249 0.0023318 156 SER B OG +2861 N N . GLY B 163 ? 1.73124 1.20001 1.52506 0.153773 -0.0134078 -0.00074941 157 GLY B N +2862 C CA . GLY B 163 ? 1.84469 1.33104 1.63365 0.169484 -0.00156079 -0.00431839 157 GLY B CA +2863 C C . GLY B 163 ? 1.95348 1.48003 1.76352 0.184043 0.01433 0.00261205 157 GLY B C +2864 O O . GLY B 163 ? 2.04586 1.58338 1.84778 0.202461 0.0249519 0.00142911 157 GLY B O +2865 N N . ASN B 164 ? 1.91188 1.46143 1.7491 0.175253 0.0155261 0.0108444 158 ASN B N +2866 C CA . ASN B 164 ? 1.67019 1.26037 1.53121 0.184494 0.0282039 0.0191252 158 ASN B CA +2867 C C . ASN B 164 ? 1.5412 1.16997 1.43737 0.1646 0.0289039 0.0256785 158 ASN B C +2868 O O . ASN B 164 ? 1.45092 1.11037 1.36847 0.16701 0.0357763 0.0336425 158 ASN B O +2869 C CB . ASN B 164 ? 1.56967 1.14873 1.42527 0.198421 0.0299862 0.0232186 158 ASN B CB +2870 C CG . ASN B 164 ? 1.61455 1.1713 1.47111 0.184019 0.0184646 0.0247316 158 ASN B CG +2871 O OD1 . ASN B 164 ? 1.65633 1.20206 1.51485 0.163924 0.00822259 0.0227023 158 ASN B OD1 +2872 N ND2 . ASN B 164 ? 1.5045 1.0554 1.36003 0.194469 0.0199838 0.0294555 158 ASN B ND2 +2873 N N . SER B 165 ? 1.46297 1.08969 1.36355 0.146017 0.0216315 0.0225659 159 SER B N +2874 C CA . SER B 165 ? 1.39981 1.05951 1.32917 0.128814 0.0221952 0.0275702 159 SER B CA +2875 C C . SER B 165 ? 1.41005 1.07648 1.33993 0.120191 0.0208562 0.0231029 159 SER B C +2876 O O . SER B 165 ? 1.46221 1.10207 1.37013 0.122202 0.0158993 0.0161285 159 SER B O +2877 C CB . SER B 165 ? 1.28533 0.937795 1.22375 0.113459 0.0140508 0.0312218 159 SER B CB +2878 O OG . SER B 165 ? 1.33054 0.948241 1.25081 0.105715 0.00281931 0.0265757 159 SER B OG +2879 N N . GLN B 166 ? 1.36839 1.06855 1.32182 0.110787 0.0245409 0.0272133 160 GLN B N +2880 C CA . GLN B 166 ? 1.36132 1.07056 1.31802 0.101884 0.0232377 0.0240281 160 GLN B CA +2881 C C . GLN B 166 ? 1.20914 0.939273 1.18835 0.0851796 0.0208206 0.0283487 160 GLN B C +2882 O O . GLN B 166 ? 1.06097 0.81186 1.05631 0.0842542 0.0246005 0.0343089 160 GLN B O +2883 C CB . GLN B 166 ? 1.40086 1.13071 1.35868 0.112752 0.0321758 0.0243925 160 GLN B CB +2884 C CG . GLN B 166 ? 1.46148 1.17325 1.39568 0.132232 0.0364376 0.0207802 160 GLN B CG +2885 C CD . GLN B 166 ? 1.4698 1.20903 1.40934 0.144618 0.0470932 0.0249086 160 GLN B CD +2886 O OE1 . GLN B 166 ? 1.60215 1.36931 1.55997 0.147927 0.0531772 0.0333601 160 GLN B OE1 +2887 N NE2 . GLN B 166 ? 1.37478 1.10609 1.29761 0.151382 0.0488521 0.0198308 160 GLN B NE2 +2888 N N . GLU B 167 ? 1.2017 0.925206 1.18022 0.0728591 0.0142203 0.0255647 161 GLU B N +2889 C CA . GLU B 167 ? 1.08941 0.83113 1.08638 0.0586585 0.0121101 0.0293254 161 GLU B CA +2890 C C . GLU B 167 ? 1.0828 0.846878 1.08815 0.0575531 0.0163106 0.0284701 161 GLU B C +2891 O O . GLU B 167 ? 1.02652 0.788861 1.02247 0.0643295 0.0187354 0.0245898 161 GLU B O +2892 C CB . GLU B 167 ? 1.04166 0.766645 1.03549 0.0460243 0.00243429 0.0291802 161 GLU B CB +2893 C CG . GLU B 167 ? 1.20464 0.911241 1.19447 0.0436798 -0.00282275 0.0326596 161 GLU B CG +2894 C CD . GLU B 167 ? 1.36756 1.05989 1.3571 0.0294208 -0.0134885 0.035947 161 GLU B CD +2895 O OE1 . GLU B 167 ? 1.53 1.20465 1.51435 0.0275069 -0.0187218 0.0393001 161 GLU B OE1 +2896 O OE2 . GLU B 167 ? 1.37138 1.07143 1.36692 0.019765 -0.0169837 0.0364183 161 GLU B OE2 +2897 N N . SER B 168 ? 1.04807 0.832605 1.06997 0.0495106 0.0170982 0.0324948 162 SER B N +2898 C CA . SER B 168 ? 1.03468 0.836611 1.06345 0.0464534 0.0189073 0.031825 162 SER B CA +2899 C C . SER B 168 ? 1.11493 0.928257 1.15619 0.0362519 0.0166809 0.0350757 162 SER B C +2900 O O . SER B 168 ? 1.2154 1.03561 1.26428 0.0350022 0.0178239 0.0395582 162 SER B O +2901 C CB . SER B 168 ? 1.02163 0.840751 1.05508 0.0537635 0.0249768 0.0342988 162 SER B CB +2902 O OG . SER B 168 ? 1.10505 0.936758 1.14178 0.0510298 0.0255698 0.0333793 162 SER B OG +2903 N N . VAL B 169 ? 1.10402 0.919404 1.14632 0.0300279 0.0137512 0.0331255 163 VAL B N +2904 C CA . VAL B 169 ? 1.06596 0.892032 1.11872 0.0221949 0.0120851 0.036563 163 VAL B CA +2905 C C . VAL B 169 ? 1.04051 0.882174 1.0981 0.0224057 0.0143914 0.0360293 163 VAL B C +2906 O O . VAL B 169 ? 1.10759 0.949252 1.16054 0.0243705 0.0146164 0.0325863 163 VAL B O +2907 C CB . VAL B 169 ? 1.05912 0.87593 1.11063 0.0143268 0.00579966 0.0367323 163 VAL B CB +2908 C CG1 . VAL B 169 ? 1.06002 0.890259 1.12389 0.00793366 0.00526214 0.0429469 163 VAL B CG1 +2909 C CG2 . VAL B 169 ? 1.20478 0.999567 1.24634 0.0138963 0.00117181 0.0361337 163 VAL B CG2 +2910 N N . THR B 170 ? 1.07284 0.92625 1.13788 0.0208027 0.0157381 0.0395921 164 THR B N +2911 C CA . THR B 170 ? 1.04661 0.910443 1.1136 0.0205664 0.0161913 0.039035 164 THR B CA +2912 C C . THR B 170 ? 1.09054 0.956237 1.15987 0.0160342 0.0135918 0.0385917 164 THR B C +2913 O O . THR B 170 ? 1.19868 1.06026 1.27019 0.0119061 0.0111555 0.0402578 164 THR B O +2914 C CB . THR B 170 ? 1.17616 1.04753 1.24576 0.0220434 0.0178513 0.0424982 164 THR B CB +2915 O OG1 . THR B 170 ? 1.04151 0.913258 1.11486 0.0202674 0.0183166 0.0461965 164 THR B OG1 +2916 C CG2 . THR B 170 ? 1.4597 1.33155 1.52803 0.0256964 0.0193076 0.0439604 164 THR B CG2 +2917 N N . GLU B 171 ? 1.04877 0.920712 1.1178 0.0163093 0.013233 0.037196 165 GLU B N +2918 C CA . GLU B 171 ? 1.14408 1.01999 1.21638 0.0131015 0.0110906 0.0377963 165 GLU B CA +2919 C C . GLU B 171 ? 1.06057 0.944858 1.13856 0.0138322 0.012942 0.0429597 165 GLU B C +2920 O O . GLU B 171 ? 1.06147 0.946998 1.13835 0.0170491 0.0155348 0.044725 165 GLU B O +2921 C CB . GLU B 171 ? 1.27564 1.15351 1.34423 0.013983 0.00993231 0.0345844 165 GLU B CB +2922 C CG . GLU B 171 ? 1.44212 1.31353 1.50507 0.0134538 0.00862767 0.0306706 165 GLU B CG +2923 C CD . GLU B 171 ? 1.68586 1.55108 1.74697 0.00936242 0.00488785 0.0288654 165 GLU B CD +2924 O OE1 . GLU B 171 ? 1.50726 1.36623 1.56078 0.0101306 0.00394998 0.0252479 165 GLU B OE1 +2925 O OE2 . GLU B 171 ? 1.71813 1.5849 1.78478 0.00522585 0.00241551 0.0317588 165 GLU B OE2 +2926 N N . GLN B 172 ? 0.870941 0.762361 0.954766 0.0115636 0.0118278 0.0462313 166 GLN B N +2927 C CA . GLN B 172 ? 0.820543 0.722937 0.909494 0.0143133 0.0149131 0.0523285 166 GLN B CA +2928 C C . GLN B 172 ? 0.84778 0.750885 0.929213 0.0217653 0.0179344 0.0508075 166 GLN B C +2929 O O . GLN B 172 ? 0.986583 0.886258 1.0618 0.0238648 0.0164152 0.0466382 166 GLN B O +2930 C CB . GLN B 172 ? 0.809776 0.723067 0.906533 0.012451 0.0136678 0.0568724 166 GLN B CB +2931 C CG . GLN B 172 ? 0.971927 0.893077 1.07936 0.00715479 0.0129685 0.0655317 166 GLN B CG +2932 C CD . GLN B 172 ? 1.04251 0.977049 1.16029 0.00380054 0.0106806 0.0721638 166 GLN B CD +2933 O OE1 . GLN B 172 ? 1.02746 0.95992 1.14412 0.00194841 0.00711183 0.068768 166 GLN B OE1 +2934 N NE2 . GLN B 172 ? 1.15933 1.10914 1.288 0.00272989 0.0125656 0.0828314 166 GLN B NE2 +2935 N N . ASP B 173 ? 1.02613 0.932278 1.10652 0.0255876 0.0213865 0.0545634 167 ASP B N +2936 C CA . ASP B 173 ? 1.20703 1.11009 1.27659 0.0327214 0.0228509 0.0529909 167 ASP B CA +2937 C C . ASP B 173 ? 1.35591 1.26469 1.42284 0.0385863 0.0240155 0.0540442 167 ASP B C +2938 O O . ASP B 173 ? 1.31277 1.23364 1.38916 0.0384576 0.026032 0.0593643 167 ASP B O +2939 C CB . ASP B 173 ? 1.36704 1.27061 1.43373 0.0359929 0.0260419 0.0566833 167 ASP B CB +2940 C CG . ASP B 173 ? 1.45315 1.34808 1.50503 0.0420405 0.0254274 0.054258 167 ASP B CG +2941 O OD1 . ASP B 173 ? 1.39041 1.27703 1.43394 0.0424938 0.0213728 0.0495831 167 ASP B OD1 +2942 O OD2 . ASP B 173 ? 1.57736 1.47294 1.62505 0.0457915 0.0281948 0.0576296 167 ASP B OD2 +2943 N N . SER B 174 ? 1.64039 1.53994 1.69407 0.0436174 0.0220266 0.0497606 168 SER B N +2944 C CA . SER B 174 ? 1.53523 1.43536 1.58186 0.0511916 0.0224156 0.0495513 168 SER B CA +2945 C C . SER B 174 ? 1.5216 1.4285 1.56372 0.0613323 0.0283262 0.0547339 168 SER B C +2946 O O . SER B 174 ? 1.26767 1.18192 1.30931 0.0687042 0.0309479 0.0573765 168 SER B O +2947 C CB . SER B 174 ? 1.37384 1.25827 1.40549 0.0525452 0.0168916 0.0437811 168 SER B CB +2948 O OG . SER B 174 ? 1.57676 1.45096 1.59814 0.0529725 0.0152072 0.0427656 168 SER B OG +2949 N N . LYS B 175 ? 1.43631 1.34258 1.47599 0.0622067 0.030918 0.0570882 169 LYS B N +2950 C CA . LYS B 175 ? 1.20223 1.11447 1.23531 0.0725611 0.0370656 0.062325 169 LYS B CA +2951 C C . LYS B 175 ? 1.11102 1.04384 1.16261 0.0694043 0.0423354 0.0717125 169 LYS B C +2952 O O . LYS B 175 ? 1.18676 1.13499 1.24245 0.0767364 0.047812 0.0787593 169 LYS B O +2953 C CB . LYS B 175 ? 1.26796 1.167 1.2853 0.0758202 0.0364146 0.0604207 169 LYS B CB +2954 C CG . LYS B 175 ? 1.64045 1.52011 1.64664 0.0706955 0.0284307 0.0533207 169 LYS B CG +2955 C CD . LYS B 175 ? 1.91132 1.77472 1.90155 0.0734625 0.0220194 0.0474008 169 LYS B CD +2956 C CE . LYS B 175 ? 1.94069 1.79266 1.92859 0.064224 0.0143535 0.0441573 169 LYS B CE +2957 N NZ . LYS B 175 ? 1.87784 1.71255 1.84948 0.0649038 0.00630474 0.0398897 169 LYS B NZ +2958 N N . ASP B 176 ? 1.21633 1.14901 1.27811 0.0590229 0.0403833 0.0726472 170 ASP B N +2959 C CA . ASP B 176 ? 1.0816 1.02905 1.15821 0.0543625 0.0434556 0.0819253 170 ASP B CA +2960 C C . ASP B 176 ? 1.06503 1.02313 1.15876 0.0457644 0.0407519 0.0857892 170 ASP B C +2961 O O . ASP B 176 ? 1.0556 1.03074 1.16259 0.0433079 0.0429563 0.0961286 170 ASP B O +2962 C CB . ASP B 176 ? 1.03135 0.970177 1.10824 0.0479818 0.0415928 0.0810801 170 ASP B CB +2963 C CG . ASP B 176 ? 1.20521 1.1491 1.27866 0.0526243 0.0464934 0.08759 170 ASP B CG +2964 O OD1 . ASP B 176 ? 1.47421 1.43576 1.55767 0.0535442 0.0509194 0.0977804 170 ASP B OD1 +2965 O OD2 . ASP B 176 ? 1.14147 1.07304 1.20333 0.0545259 0.0455225 0.0836891 170 ASP B OD2 +2966 N N . SER B 177 ? 1.11748 1.06551 1.21063 0.0404714 0.0352754 0.0783242 171 SER B N +2967 C CA . SER B 177 ? 1.14854 1.1014 1.25462 0.0309839 0.030842 0.080505 171 SER B CA +2968 C C . SER B 177 ? 1.10093 1.04848 1.21362 0.0207564 0.0273243 0.0825747 171 SER B C +2969 O O . SER B 177 ? 1.23995 1.19303 1.36372 0.0123194 0.0234015 0.0882406 171 SER B O +2970 C CB . SER B 177 ? 0.996084 0.969351 1.11345 0.0330574 0.0330581 0.0899603 171 SER B CB +2971 O OG . SER B 177 ? 1.09195 1.06436 1.20306 0.0398605 0.0331853 0.0854279 171 SER B OG +2972 N N . THR B 178 ? 0.972195 0.907032 1.0767 0.0214649 0.0275953 0.0777901 172 THR B N +2973 C CA . THR B 178 ? 1.00822 0.935191 1.11571 0.014429 0.0248478 0.079229 172 THR B CA +2974 C C . THR B 178 ? 1.02815 0.937645 1.12765 0.0128368 0.0213974 0.0697141 172 THR B C +2975 O O . THR B 178 ? 1.09876 1.00399 1.19074 0.0171661 0.0218378 0.063162 172 THR B O +2976 C CB . THR B 178 ? 1.00149 0.931889 1.10728 0.0182422 0.0292481 0.0842078 172 THR B CB +2977 O OG1 . THR B 178 ? 1.11228 1.03539 1.20556 0.0258318 0.0314046 0.077467 172 THR B OG1 +2978 C CG2 . THR B 178 ? 1.10719 1.05735 1.22105 0.020779 0.033783 0.0953879 172 THR B CG2 +2979 N N . TYR B 179 ? 1.10587 1.00521 1.20644 0.00703684 0.0178344 0.0699713 173 TYR B N +2980 C CA . TYR B 179 ? 1.00401 0.887831 1.09674 0.00734278 0.015613 0.0624263 173 TYR B CA +2981 C C . TYR B 179 ? 0.943506 0.822429 1.03268 0.0107771 0.0179711 0.0628405 173 TYR B C +2982 O O . TYR B 179 ? 0.985118 0.869765 1.0776 0.0109895 0.0200862 0.0689329 173 TYR B O +2983 C CB . TYR B 179 ? 0.947745 0.819433 1.03977 0.00058002 0.00946953 0.0614314 173 TYR B CB +2984 C CG . TYR B 179 ? 0.987639 0.863914 1.0831 -0.00375068 0.00596133 0.0615343 173 TYR B CG +2985 C CD1 . TYR B 179 ? 0.99717 0.869629 1.08659 -0.00152341 0.00532588 0.0543106 173 TYR B CD1 +2986 C CD2 . TYR B 179 ? 1.01095 0.897318 1.11664 -0.0102768 0.00312876 0.0701543 173 TYR B CD2 +2987 C CE1 . TYR B 179 ? 1.04446 0.921333 1.13687 -0.00533501 0.00189139 0.0546771 173 TYR B CE1 +2988 C CE2 . TYR B 179 ? 1.12442 1.01703 1.23449 -0.0141366 -0.00036009 0.071347 173 TYR B CE2 +2989 C CZ . TYR B 179 ? 1.08291 0.969724 1.18575 -0.0115964 -0.00112245 0.063089 173 TYR B CZ +2990 O OH . TYR B 179 ? 1.32428 1.21691 1.43124 -0.0155388 -0.00501703 0.0645626 173 TYR B OH +2991 N N . SER B 180 ? 0.977209 0.847035 1.05985 0.0139159 0.0177866 0.0570514 174 SER B N +2992 C CA . SER B 180 ? 1.01245 0.877246 1.09226 0.0172501 0.0192471 0.057654 174 SER B CA +2993 C C . SER B 180 ? 0.985055 0.836513 1.0595 0.0185247 0.0173111 0.053451 174 SER B C +2994 O O . SER B 180 ? 0.981627 0.830068 1.05257 0.0188817 0.0161622 0.048733 174 SER B O +2995 C CB . SER B 180 ? 1.08286 0.953997 1.15993 0.0220317 0.0217799 0.0569155 174 SER B CB +2996 O OG . SER B 180 ? 1.34497 1.22437 1.42293 0.0228533 0.0237653 0.0609948 174 SER B OG +2997 N N . LEU B 181 ? 0.880142 0.722751 0.952657 0.0199192 0.0169559 0.0554255 175 LEU B N +2998 C CA . LEU B 181 ? 0.970212 0.797115 1.03477 0.0230487 0.0151759 0.0516731 175 LEU B CA +2999 C C . LEU B 181 ? 0.967893 0.794175 1.03062 0.030379 0.0182683 0.052667 175 LEU B C +3000 O O . LEU B 181 ? 0.956081 0.78818 1.02322 0.0302536 0.0195656 0.0573453 175 LEU B O +3001 C CB . LEU B 181 ? 1.10669 0.918199 1.16833 0.0172582 0.00955526 0.0535404 175 LEU B CB +3002 C CG . LEU B 181 ? 1.17377 0.963545 1.22223 0.0195078 0.00547142 0.0480631 175 LEU B CG +3003 C CD1 . LEU B 181 ? 1.15755 0.936661 1.20381 0.00989532 -0.00236086 0.0487959 175 LEU B CD1 +3004 C CD2 . LEU B 181 ? 1.26755 1.04032 1.30757 0.0251472 0.00470297 0.0484248 175 LEU B CD2 +3005 N N . SER B 182 ? 0.987604 0.806977 1.0433 0.037358 0.0194714 0.0489665 176 SER B N +3006 C CA . SER B 182 ? 1.01188 0.831909 1.06654 0.0455313 0.0225319 0.0510572 176 SER B CA +3007 C C . SER B 182 ? 1.07847 0.87952 1.12103 0.0528916 0.0219811 0.0477245 176 SER B C +3008 O O . SER B 182 ? 1.14609 0.944149 1.18167 0.0571998 0.023055 0.0433243 176 SER B O +3009 C CB . SER B 182 ? 1.05069 0.887793 1.11001 0.0491754 0.0259878 0.0520546 176 SER B CB +3010 O OG . SER B 182 ? 1.05806 0.898898 1.11847 0.0568745 0.028688 0.0559223 176 SER B OG +3011 N N . SER B 183 ? 1.19299 0.980178 1.2315 0.0548465 0.0201391 0.0499345 177 SER B N +3012 C CA . SER B 183 ? 1.24883 1.01409 1.27242 0.0640902 0.0193025 0.0467586 177 SER B CA +3013 C C . SER B 183 ? 1.15357 0.926283 1.17851 0.0762117 0.0248606 0.0502065 177 SER B C +3014 O O . SER B 183 ? 1.03616 0.818985 1.07069 0.0746022 0.0256638 0.0559077 177 SER B O +3015 C CB . SER B 183 ? 1.19104 0.932155 1.20676 0.0583407 0.0120122 0.0471256 177 SER B CB +3016 O OG . SER B 183 ? 1.18939 0.903048 1.18533 0.064611 0.00842359 0.0413683 177 SER B OG +3017 N N . THR B 184 ? 1.16783 0.937581 1.1835 0.088817 0.0289677 0.0476509 178 THR B N +3018 C CA . THR B 184 ? 1.22986 1.0116 1.24903 0.101285 0.0349461 0.0527434 178 THR B CA +3019 C C . THR B 184 ? 1.24734 1.00426 1.24774 0.115749 0.0356618 0.0499218 178 THR B C +3020 O O . THR B 184 ? 1.3939 1.1388 1.37925 0.123854 0.0370575 0.0444372 178 THR B O +3021 C CB . THR B 184 ? 1.18781 0.99582 1.21554 0.105354 0.0407689 0.0553495 178 THR B CB +3022 O OG1 . THR B 184 ? 1.13854 0.965254 1.18131 0.0924748 0.0387372 0.0583358 178 THR B OG1 +3023 C CG2 . THR B 184 ? 1.19278 1.01527 1.22466 0.119192 0.0469505 0.0624268 178 THR B CG2 +3024 N N . LEU B 185 ? 1.20088 0.949534 1.20079 0.119878 0.0347018 0.0538573 179 LEU B N +3025 C CA . LEU B 185 ? 1.12337 0.846654 1.10449 0.135017 0.0350174 0.0519142 179 LEU B CA +3026 C C . LEU B 185 ? 1.14012 0.884231 1.12664 0.151731 0.0440813 0.0579515 179 LEU B C +3027 O O . LEU B 185 ? 1.06082 0.828964 1.06563 0.149409 0.0462221 0.0661406 179 LEU B O +3028 C CB . LEU B 185 ? 1.26076 0.966134 1.24071 0.12908 0.0285228 0.0544372 179 LEU B CB +3029 C CG . LEU B 185 ? 1.31427 0.99125 1.27511 0.144383 0.0275736 0.0536812 179 LEU B CG +3030 C CD1 . LEU B 185 ? 1.37625 1.01704 1.30984 0.148888 0.0225233 0.0444582 179 LEU B CD1 +3031 C CD2 . LEU B 185 ? 1.27189 0.938739 1.23695 0.136964 0.0216672 0.0587519 179 LEU B CD2 +3032 N N . THR B 186 ? 1.28527 1.02124 1.25569 0.168593 0.0492326 0.0547133 180 THR B N +3033 C CA . THR B 186 ? 1.22969 0.990305 1.20684 0.185568 0.0589163 0.0623339 180 THR B CA +3034 C C . THR B 186 ? 1.16466 0.900238 1.1211 0.206355 0.0612179 0.0613407 180 THR B C +3035 O O . THR B 186 ? 1.1429 0.844812 1.07269 0.214184 0.0588768 0.0524499 180 THR B O +3036 C CB . THR B 186 ? 1.24188 1.02253 1.22031 0.19026 0.0653622 0.0621767 180 THR B CB +3037 O OG1 . THR B 186 ? 1.29995 1.10126 1.29711 0.170617 0.0620198 0.0634025 180 THR B OG1 +3038 C CG2 . THR B 186 ? 1.33808 1.14948 1.32657 0.207064 0.075511 0.0728694 180 THR B CG2 +3039 N N . LEU B 187 ? 1.24882 0.999669 1.21656 0.215033 0.0649713 0.0706528 181 LEU B N +3040 C CA . LEU B 187 ? 1.23635 0.96954 1.18682 0.238171 0.0690017 0.0718198 181 LEU B CA +3041 C C . LEU B 187 ? 1.24021 1.0132 1.20741 0.253883 0.0800273 0.0843121 181 LEU B C +3042 O O . LEU B 187 ? 1.38404 1.19603 1.3785 0.243138 0.0817597 0.0933885 181 LEU B O +3043 C CB . LEU B 187 ? 1.30392 1.01451 1.25128 0.235173 0.0619972 0.072868 181 LEU B CB +3044 C CG . LEU B 187 ? 1.44647 1.13345 1.39186 0.212517 0.0501343 0.0670157 181 LEU B CG +3045 C CD1 . LEU B 187 ? 1.4241 1.0997 1.37208 0.2114 0.0453867 0.0722203 181 LEU B CD1 +3046 C CD2 . LEU B 187 ? 1.54782 1.19347 1.46496 0.210785 0.0432249 0.0550006 181 LEU B CD2 +3047 N N . SER B 188 ? 1.20358 0.964836 1.15385 0.279315 0.0863394 0.0857721 182 SER B N +3048 C CA . SER B 188 ? 1.20346 1.0002 1.16964 0.296398 0.0961437 0.0998548 182 SER B CA +3049 C C . SER B 188 ? 1.23565 1.04816 1.22488 0.286128 0.0916825 0.10951 182 SER B C +3050 O O . SER B 188 ? 1.1781 0.964053 1.16227 0.273383 0.082384 0.104022 182 SER B O +3051 C CB . SER B 188 ? 1.2186 0.993007 1.1574 0.327049 0.103287 0.0979491 182 SER B CB +3052 O OG . SER B 188 ? 1.27701 1.08728 1.23229 0.345095 0.11311 0.113172 182 SER B OG +3053 N N . LYS B 189 ? 1.34194 1.1988 1.35683 0.290893 0.097764 0.124974 183 LYS B N +3054 C CA . LYS B 189 ? 1.32682 1.1996 1.36219 0.283561 0.0936687 0.135403 183 LYS B CA +3055 C C . LYS B 189 ? 1.34067 1.18316 1.35843 0.300773 0.0933089 0.134118 183 LYS B C +3056 O O . LYS B 189 ? 1.21404 1.04443 1.23572 0.290389 0.0857114 0.134828 183 LYS B O +3057 C CB . LYS B 189 ? 1.35568 1.28176 1.42078 0.286082 0.0992959 0.153615 183 LYS B CB +3058 C CG . LYS B 189 ? 1.31254 1.2588 1.40113 0.273368 0.0929645 0.16506 183 LYS B CG +3059 C CD . LYS B 189 ? 1.42438 1.41395 1.53519 0.28637 0.0991092 0.184826 183 LYS B CD +3060 C CE . LYS B 189 ? 1.51703 1.52512 1.64963 0.271846 0.0912037 0.195922 183 LYS B CE +3061 N NZ . LYS B 189 ? 1.67173 1.72006 1.82563 0.284684 0.0959619 0.216101 183 LYS B NZ +3062 N N . ALA B 190 ? 1.28385 1.11379 1.28083 0.328209 0.101713 0.132637 184 ALA B N +3063 C CA . ALA B 190 ? 1.2156 1.01055 1.18963 0.347955 0.101459 0.129915 184 ALA B CA +3064 C C . ALA B 190 ? 1.20235 0.944955 1.15384 0.333833 0.0890844 0.115438 184 ALA B C +3065 O O . ALA B 190 ? 1.28678 1.00979 1.23494 0.332938 0.0829982 0.116735 184 ALA B O +3066 C CB . ALA B 190 ? 1.18494 0.973105 1.13611 0.380197 0.112875 0.129023 184 ALA B CB +3067 N N . ASP B 191 ? 1.22948 0.950614 1.16611 0.322741 0.085022 0.10293 185 ASP B N +3068 C CA . ASP B 191 ? 1.37175 1.04551 1.2876 0.308266 0.0727322 0.0905147 185 ASP B CA +3069 C C . ASP B 191 ? 1.36958 1.05469 1.30902 0.280523 0.0640404 0.0941608 185 ASP B C +3070 O O . ASP B 191 ? 1.53299 1.18653 1.46245 0.271848 0.0544843 0.0908223 185 ASP B O +3071 C CB . ASP B 191 ? 1.5255 1.1785 1.42175 0.303748 0.0707573 0.0781256 185 ASP B CB +3072 C CG . ASP B 191 ? 1.71781 1.34415 1.57997 0.331252 0.0767129 0.0713131 185 ASP B CG +3073 O OD1 . ASP B 191 ? 1.6161 1.20539 1.45212 0.3488 0.0745256 0.0683715 185 ASP B OD1 +3074 O OD2 . ASP B 191 ? 1.90402 1.54419 1.76331 0.335583 0.0831522 0.0686312 185 ASP B OD2 +3075 N N . TYR B 192 ? 1.30926 1.03845 1.2785 0.266904 0.0669768 0.101503 186 TYR B N +3076 C CA . TYR B 192 ? 1.295 1.03645 1.28464 0.242362 0.0597046 0.104936 186 TYR B CA +3077 C C . TYR B 192 ? 1.25068 0.992558 1.24736 0.246022 0.0574742 0.113754 186 TYR B C +3078 O O . TYR B 192 ? 1.17629 0.900728 1.17216 0.231734 0.0491391 0.112388 186 TYR B O +3079 C CB . TYR B 192 ? 1.29461 1.07941 1.31024 0.229368 0.0627214 0.110662 186 TYR B CB +3080 C CG . TYR B 192 ? 1.15538 0.953732 1.18989 0.206544 0.0558815 0.114648 186 TYR B CG +3081 C CD1 . TYR B 192 ? 1.0939 0.874803 1.12414 0.187544 0.0486733 0.106766 186 TYR B CD1 +3082 C CD2 . TYR B 192 ? 1.05588 0.885357 1.11178 0.204596 0.0565922 0.127043 186 TYR B CD2 +3083 C CE1 . TYR B 192 ? 1.10214 0.895129 1.14701 0.169395 0.0435624 0.110617 186 TYR B CE1 +3084 C CE2 . TYR B 192 ? 1.01835 0.85673 1.08714 0.185473 0.0501462 0.130176 186 TYR B CE2 +3085 C CZ . TYR B 192 ? 1.0585 0.878376 1.12098 0.168759 0.0442339 0.121696 186 TYR B CZ +3086 O OH . TYR B 192 ? 1.04322 0.874197 1.11725 0.152674 0.0392407 0.125651 186 TYR B OH +3087 N N . GLU B 193 ? 1.30129 1.06556 1.3061 0.26492 0.065021 0.12398 187 GLU B N +3088 C CA . GLU B 193 ? 1.32942 1.09807 1.34271 0.269657 0.0633308 0.133805 187 GLU B CA +3089 C C . GLU B 193 ? 1.33887 1.05894 1.32541 0.278813 0.057901 0.12746 187 GLU B C +3090 O O . GLU B 193 ? 1.23505 0.951507 1.22571 0.280314 0.0545767 0.134235 187 GLU B O +3091 C CB . GLU B 193 ? 1.43501 1.24058 1.46345 0.289285 0.072887 0.147427 187 GLU B CB +3092 C CG . GLU B 193 ? 1.41287 1.26883 1.47037 0.27923 0.0762633 0.157586 187 GLU B CG +3093 C CD . GLU B 193 ? 1.50562 1.40153 1.57955 0.298595 0.0856038 0.173342 187 GLU B CD +3094 O OE1 . GLU B 193 ? 1.50257 1.43574 1.60338 0.287678 0.0833873 0.186554 187 GLU B OE1 +3095 O OE2 . GLU B 193 ? 1.48362 1.37543 1.54406 0.324511 0.0947743 0.173793 187 GLU B OE2 +3096 N N . LYS B 194 ? 1.35345 1.03478 1.31154 0.284656 0.0559527 0.115042 188 LYS B N +3097 C CA . LYS B 194 ? 1.3886 1.01914 1.31698 0.294548 0.0494705 0.108874 188 LYS B CA +3098 C C . LYS B 194 ? 1.31102 0.916108 1.23701 0.269325 0.0364701 0.104828 188 LYS B C +3099 O O . LYS B 194 ? 1.4306 1.00549 1.34414 0.270938 0.0293067 0.105741 188 LYS B O +3100 C CB . LYS B 194 ? 1.53848 1.13364 1.43287 0.313048 0.0514273 0.0977363 188 LYS B CB +3101 C CG . LYS B 194 ? 1.75595 1.29531 1.61521 0.328613 0.0445973 0.0924178 188 LYS B CG +3102 C CD . LYS B 194 ? 1.84214 1.32877 1.66027 0.337738 0.0393304 0.0785039 188 LYS B CD +3103 C CE . LYS B 194 ? 1.94006 1.43312 1.74382 0.358972 0.0503492 0.0735743 188 LYS B CE +3104 N NZ . LYS B 194 ? 1.90869 1.42639 1.72525 0.343331 0.0528817 0.0696284 188 LYS B NZ +3105 N N . HIS B 195 ? 1.23373 0.851791 1.17187 0.246498 0.0334472 0.101437 189 HIS B N +3106 C CA . HIS B 195 ? 1.29635 0.892963 1.23232 0.223543 0.0220637 0.0986297 189 HIS B CA +3107 C C . HIS B 195 ? 1.1746 0.806478 1.13982 0.20381 0.0215084 0.106753 189 HIS B C +3108 O O . HIS B 195 ? 1.02264 0.693901 1.00854 0.204577 0.0286577 0.112301 189 HIS B O +3109 C CB . HIS B 195 ? 1.37467 0.949882 1.29525 0.214711 0.0177012 0.0876529 189 HIS B CB +3110 C CG . HIS B 195 ? 1.36203 0.893467 1.24825 0.232327 0.015206 0.0791689 189 HIS B CG +3111 N ND1 . HIS B 195 ? 1.30283 0.788304 1.16474 0.236758 0.00556201 0.0774725 189 HIS B ND1 +3112 C CD2 . HIS B 195 ? 1.39946 0.925304 1.26975 0.24784 0.0210613 0.0722543 189 HIS B CD2 +3113 C CE1 . HIS B 195 ? 1.42174 0.870871 1.25131 0.253484 0.00440656 0.0684776 189 HIS B CE1 +3114 N NE2 . HIS B 195 ? 1.50701 0.980246 1.34096 0.260309 0.0140297 0.064955 189 HIS B NE2 +3115 N N . LYS B 196 ? 1.16819 0.784763 1.13355 0.185451 0.0123367 0.107605 190 LYS B N +3116 C CA . LYS B 196 ? 1.14431 0.788064 1.13208 0.169527 0.0113663 0.115718 190 LYS B CA +3117 C C . LYS B 196 ? 1.11628 0.769908 1.11248 0.1481 0.00865048 0.112564 190 LYS B C +3118 O O . LYS B 196 ? 1.17799 0.864865 1.19193 0.141202 0.0131585 0.114886 190 LYS B O +3119 C CB . LYS B 196 ? 1.16759 0.794367 1.15256 0.166959 0.00480767 0.122583 190 LYS B CB +3120 C CG . LYS B 196 ? 1.25954 0.916901 1.26598 0.157336 0.00572968 0.132524 190 LYS B CG +3121 C CD . LYS B 196 ? 1.35172 1.04347 1.37409 0.168483 0.0132173 0.139343 190 LYS B CD +3122 C CE . LYS B 196 ? 1.41317 1.12188 1.44915 0.162848 0.0111573 0.150204 190 LYS B CE +3123 N NZ . LYS B 196 ? 1.52448 1.24641 1.57001 0.142 0.00812551 0.151615 190 LYS B NZ +3124 N N . VAL B 197 ? 1.13697 0.761882 1.12029 0.137538 0.00068759 0.108097 191 VAL B N +3125 C CA . VAL B 197 ? 1.22212 0.858004 1.21523 0.117001 -0.00223811 0.107753 191 VAL B CA +3126 C C . VAL B 197 ? 1.1487 0.787111 1.13855 0.115083 -0.00018493 0.0990228 191 VAL B C +3127 O O . VAL B 197 ? 1.26855 0.877385 1.24008 0.117274 -0.00510391 0.0925281 191 VAL B O +3128 C CB . VAL B 197 ? 1.19903 0.807905 1.18418 0.10374 -0.0128211 0.110991 191 VAL B CB +3129 C CG1 . VAL B 197 ? 1.15283 0.776639 1.14964 0.0835693 -0.015055 0.11277 191 VAL B CG1 +3130 C CG2 . VAL B 197 ? 1.1211 0.723734 1.10707 0.10632 -0.0155288 0.119691 191 VAL B CG2 +3131 N N . TYR B 198 ? 1.00048 0.671769 1.00676 0.109023 0.0055427 0.0990803 192 TYR B N +3132 C CA . TYR B 198 ? 0.953543 0.630268 0.958572 0.106667 0.00769734 0.0916661 192 TYR B CA +3133 C C . TYR B 198 ? 0.948295 0.635662 0.96305 0.0879137 0.00470211 0.0924653 192 TYR B C +3134 O O . TYR B 198 ? 0.944629 0.654284 0.973478 0.0807436 0.00662844 0.0982221 192 TYR B O +3135 C CB . TYR B 198 ? 0.888425 0.594163 0.9035 0.116175 0.0165827 0.0914723 192 TYR B CB +3136 C CG . TYR B 198 ? 0.935964 0.633976 0.941251 0.136826 0.0209141 0.0911441 192 TYR B CG +3137 C CD1 . TYR B 198 ? 0.979732 0.683209 0.989662 0.145731 0.0225275 0.0987266 192 TYR B CD1 +3138 C CD2 . TYR B 198 ? 0.963196 0.648119 0.953511 0.148413 0.0234933 0.0838336 192 TYR B CD2 +3139 C CE1 . TYR B 198 ? 1.04372 0.74187 1.04514 0.166441 0.0271923 0.0996761 192 TYR B CE1 +3140 C CE2 . TYR B 198 ? 1.01617 0.695292 0.996288 0.169818 0.0287204 0.0843261 192 TYR B CE2 +3141 C CZ . TYR B 198 ? 1.0748 0.761283 1.06112 0.179204 0.0307992 0.09257 192 TYR B CZ +3142 O OH . TYR B 198 ? 1.11296 0.795843 1.09014 0.201848 0.0365785 0.0944101 192 TYR B OH +3143 N N . ALA B 199 ? 1.04856 0.720123 1.05492 0.0807509 -8.766e-05 0.0871661 193 ALA B N +3144 C CA . ALA B 199 ? 1.14747 0.827996 1.16316 0.0633786 -0.00361839 0.0900926 193 ALA B CA +3145 C C . ALA B 199 ? 1.18582 0.861268 1.19705 0.057424 -0.00607665 0.0836708 193 ALA B C +3146 O O . ALA B 199 ? 1.25422 0.905167 1.24884 0.0637482 -0.00937849 0.0771821 193 ALA B O +3147 C CB . ALA B 199 ? 1.15679 0.819413 1.16949 0.0542664 -0.0117174 0.0970634 193 ALA B CB +3148 N N . CYS B 200 ? 1.03547 0.732426 1.05997 0.0455981 -0.00497905 0.0859542 194 CYS B N +3149 C CA . CYS B 200 ? 1.09273 0.785614 1.11504 0.0373643 -0.00878497 0.082081 194 CYS B CA +3150 C C . CYS B 200 ? 1.04006 0.735931 1.07045 0.0212601 -0.0147765 0.0900381 194 CYS B C +3151 O O . CYS B 200 ? 0.960627 0.67874 1.00434 0.0163692 -0.0111021 0.0968305 194 CYS B O +3152 C CB . CYS B 200 ? 1.07923 0.793188 1.1073 0.0409812 -0.00187352 0.0762986 194 CYS B CB +3153 S SG . CYS B 200 ? 1.20103 0.951143 1.24719 0.0394047 0.00600968 0.0810099 194 CYS B SG +3154 N N . GLU B 201 ? 1.10552 0.778369 1.12654 0.0133987 -0.0244578 0.0896474 195 GLU B N +3155 C CA . GLU B 201 ? 1.17414 0.848789 1.20283 -0.00303992 -0.0319919 0.0988234 195 GLU B CA +3156 C C . GLU B 201 ? 1.20914 0.897426 1.24415 -0.00974392 -0.0320086 0.0965294 195 GLU B C +3157 O O . GLU B 201 ? 1.11122 0.779846 1.1341 -0.0106283 -0.0381822 0.0902452 195 GLU B O +3158 C CB . GLU B 201 ? 1.24901 0.886455 1.26221 -0.0087584 -0.0452376 0.101382 195 GLU B CB +3159 C CG . GLU B 201 ? 1.30259 0.942401 1.32538 -0.027 -0.0543359 0.114694 195 GLU B CG +3160 C CD . GLU B 201 ? 1.53097 1.13073 1.53715 -0.0347177 -0.069965 0.118412 195 GLU B CD +3161 O OE1 . GLU B 201 ? 1.55619 1.13228 1.54968 -0.0408559 -0.0805803 0.114969 195 GLU B OE1 +3162 O OE2 . GLU B 201 ? 1.62768 1.21712 1.63179 -0.0350742 -0.0728368 0.124954 195 GLU B OE2 +3163 N N . VAL B 202 ? 1.17404 0.895044 1.22662 -0.0137599 -0.0252623 0.101912 196 VAL B N +3164 C CA . VAL B 202 ? 1.06935 0.808101 1.12999 -0.018261 -0.0234712 0.100535 196 VAL B CA +3165 C C . VAL B 202 ? 1.07169 0.814837 1.14134 -0.0337804 -0.0314079 0.111706 196 VAL B C +3166 O O . VAL B 202 ? 1.18274 0.940635 1.2635 -0.039605 -0.0305271 0.123124 196 VAL B O +3167 C CB . VAL B 202 ? 1.03554 0.805194 1.1074 -0.0121087 -0.0119969 0.0996749 196 VAL B CB +3168 C CG1 . VAL B 202 ? 1.14747 0.936239 1.22862 -0.0173637 -0.0106278 0.100673 196 VAL B CG1 +3169 C CG2 . VAL B 202 ? 1.0445 0.81222 1.10909 0.00109524 -0.00571425 0.0895692 196 VAL B CG2 +3170 N N . THR B 203 ? 1.1418 0.873522 1.20669 -0.0402424 -0.0391182 0.109041 197 THR B N +3171 C CA . THR B 203 ? 1.16986 0.905856 1.24375 -0.0561986 -0.0484882 0.120291 197 THR B CA +3172 C C . THR B 203 ? 1.05539 0.817325 1.14111 -0.0576927 -0.0439607 0.120048 197 THR B C +3173 O O . THR B 203 ? 1.15006 0.902878 1.22718 -0.0541797 -0.0449306 0.109972 197 THR B O +3174 C CB . THR B 203 ? 1.25444 0.951862 1.3105 -0.0632798 -0.0636014 0.117708 197 THR B CB +3175 O OG1 . THR B 203 ? 1.46223 1.13416 1.50462 -0.0576599 -0.0659272 0.115665 197 THR B OG1 +3176 C CG2 . THR B 203 ? 1.23964 0.9389 1.30489 -0.0824004 -0.0763205 0.131606 197 THR B CG2 +3177 N N . HIS B 204 ? 0.978022 0.77211 1.08247 -0.0618775 -0.0387387 0.131481 198 HIS B N +3178 C CA . HIS B 204 ? 1.05021 0.869386 1.16588 -0.0621563 -0.0342984 0.132423 198 HIS B CA +3179 C C . HIS B 204 ? 1.04662 0.888969 1.18066 -0.0748304 -0.0381374 0.150223 198 HIS B C +3180 O O . HIS B 204 ? 1.14877 0.996901 1.28974 -0.0806498 -0.0397088 0.162384 198 HIS B O +3181 C CB . HIS B 204 ? 1.1123 0.951783 1.23034 -0.048151 -0.0200671 0.125853 198 HIS B CB +3182 C CG . HIS B 204 ? 1.19209 1.05061 1.3169 -0.0461694 -0.0160991 0.123756 198 HIS B CG +3183 N ND1 . HIS B 204 ? 1.16385 1.0531 1.30252 -0.044763 -0.00907449 0.132762 198 HIS B ND1 +3184 C CD2 . HIS B 204 ? 1.18643 1.03713 1.30512 -0.044634 -0.0181851 0.114144 198 HIS B CD2 +3185 C CE1 . HIS B 204 ? 1.20035 1.09882 1.34128 -0.0425211 -0.00751046 0.128515 198 HIS B CE1 +3186 N NE2 . HIS B 204 ? 1.21452 1.09031 1.34385 -0.0428667 -0.0129766 0.117167 198 HIS B NE2 +3187 N N . GLN B 205 ? 1.08206 0.93912 1.22448 -0.0787523 -0.0395118 0.152374 199 GLN B N +3188 C CA . GLN B 205 ? 1.05968 0.944206 1.22186 -0.089566 -0.0423607 0.169966 199 GLN B CA +3189 C C . GLN B 205 ? 0.962318 0.881604 1.13898 -0.0832237 -0.0298162 0.181019 199 GLN B C +3190 O O . GLN B 205 ? 0.911101 0.852678 1.10417 -0.0923227 -0.0319156 0.199355 199 GLN B O +3191 C CB . GLN B 205 ? 1.09355 0.987074 1.25872 -0.0886835 -0.0424704 0.165176 199 GLN B CB +3192 C CG . GLN B 205 ? 1.11391 1.03639 1.30013 -0.0998269 -0.0466334 0.183249 199 GLN B CG +3193 C CD . GLN B 205 ? 1.07597 0.996346 1.26193 -0.103623 -0.0528163 0.17883 199 GLN B CD +3194 O OE1 . GLN B 205 ? 1.08637 0.98039 1.25474 -0.0992493 -0.0552578 0.162357 199 GLN B OE1 +3195 N NE2 . GLN B 205 ? 1.14266 1.09253 1.34841 -0.111092 -0.0549147 0.194306 199 GLN B NE2 +3196 N N . GLY B 206 ? 0.946586 0.870777 1.11643 -0.0675206 -0.0171262 0.170646 200 GLY B N +3197 C CA . GLY B 206 ? 0.968337 0.92154 1.14658 -0.059029 -0.00493386 0.178968 200 GLY B CA +3198 C C . GLY B 206 ? 0.938871 0.887502 1.11492 -0.0597045 -0.00386347 0.185095 200 GLY B C +3199 O O . GLY B 206 ? 0.796937 0.767675 0.978189 -0.0534228 0.00543345 0.193432 200 GLY B O +3200 N N . LEU B 207 ? 1.02918 0.946821 1.1948 -0.0655367 -0.013024 0.179718 201 LEU B N +3201 C CA . LEU B 207 ? 1.00589 0.91478 1.16852 -0.0674071 -0.0141552 0.18539 201 LEU B CA +3202 C C . LEU B 207 ? 1.05147 0.959038 1.2239 -0.0849015 -0.0262111 0.202224 201 LEU B C +3203 O O . LEU B 207 ? 1.00619 0.898119 1.17763 -0.0958978 -0.0383382 0.202409 201 LEU B O +3204 C CB . LEU B 207 ? 1.0281 0.90267 1.17231 -0.061832 -0.0171933 0.169568 201 LEU B CB +3205 C CG . LEU B 207 ? 0.984996 0.860201 1.12016 -0.0463964 -0.00712232 0.154238 201 LEU B CG +3206 C CD1 . LEU B 207 ? 1.18846 1.03248 1.30753 -0.0414147 -0.010885 0.139999 201 LEU B CD1 +3207 C CD2 . LEU B 207 ? 0.88856 0.78254 1.02633 -0.0387791 0.00289948 0.15975 201 LEU B CD2 +3208 N N . SER B 208 ? 1.21874 1.13982 1.39875 -0.0880527 -0.0240745 0.216514 202 SER B N +3209 C CA . SER B 208 ? 1.25456 1.17066 1.44241 -0.105773 -0.0369934 0.233327 202 SER B CA +3210 C C . SER B 208 ? 1.28273 1.15339 1.45253 -0.110838 -0.0497855 0.224248 202 SER B C +3211 O O . SER B 208 ? 1.45548 1.30601 1.6232 -0.12521 -0.065218 0.228601 202 SER B O +3212 C CB . SER B 208 ? 1.26253 1.2064 1.46292 -0.107096 -0.0306364 0.251561 202 SER B CB +3213 O OG . SER B 208 ? 1.53447 1.4718 1.72334 -0.0939731 -0.0213228 0.24303 202 SER B OG +3214 N N . SER B 209 ? 1.22641 1.08005 1.38203 -0.0986247 -0.043986 0.212022 203 SER B N +3215 C CA . SER B 209 ? 1.21433 1.02595 1.35185 -0.100185 -0.0544429 0.203854 203 SER B CA +3216 C C . SER B 209 ? 1.20803 1.00425 1.32993 -0.0829076 -0.0465485 0.183407 203 SER B C +3217 O O . SER B 209 ? 1.17533 0.992994 1.30071 -0.0710014 -0.033271 0.178642 203 SER B O +3218 C CB . SER B 209 ? 1.2132 1.01857 1.35141 -0.106379 -0.0587813 0.216232 203 SER B CB +3219 O OG . SER B 209 ? 1.12812 0.95318 1.26903 -0.0943609 -0.0448821 0.216106 203 SER B OG +3220 N N . PRO B 210 ? 1.21364 0.97235 1.31725 -0.0811654 -0.0551094 0.171663 204 PRO B N +3221 C CA . PRO B 210 ? 1.21865 0.964165 1.30837 -0.0650273 -0.048193 0.15395 204 PRO B CA +3222 C C . PRO B 210 ? 1.2948 1.04984 1.38464 -0.0532752 -0.0375965 0.152275 204 PRO B C +3223 O O . PRO B 210 ? 1.39664 1.1374 1.48162 -0.0539873 -0.0412383 0.156955 204 PRO B O +3224 C CB . PRO B 210 ? 1.24648 0.947941 1.3153 -0.0659906 -0.0606692 0.146546 204 PRO B CB +3225 C CG . PRO B 210 ? 1.2834 0.974343 1.35452 -0.0846099 -0.075831 0.1578 204 PRO B CG +3226 C CD . PRO B 210 ? 1.29082 1.01737 1.38494 -0.0945529 -0.0725601 0.175769 204 PRO B CD +3227 N N . VAL B 211 ? 1.23475 1.01144 1.3286 -0.0426413 -0.025673 0.14527 205 VAL B N +3228 C CA . VAL B 211 ? 1.31358 1.09852 1.40595 -0.0313589 -0.0165282 0.14243 205 VAL B CA +3229 C C . VAL B 211 ? 1.34311 1.10339 1.42101 -0.0209171 -0.0174067 0.130474 205 VAL B C +3230 O O . VAL B 211 ? 1.24787 0.996397 1.31833 -0.0175001 -0.0190693 0.120677 205 VAL B O +3231 C CB . VAL B 211 ? 1.30214 1.11579 1.40147 -0.0244333 -0.00541061 0.139607 205 VAL B CB +3232 C CG1 . VAL B 211 ? 1.30441 1.12374 1.40016 -0.014019 0.00190049 0.137032 205 VAL B CG1 +3233 C CG2 . VAL B 211 ? 1.28062 1.12054 1.39328 -0.0316741 -0.00298319 0.151275 205 VAL B CG2 +3234 N N . THR B 212 ? 1.28902 1.04327 1.3631 -0.015035 -0.015766 0.13206 206 THR B N +3235 C CA . THR B 212 ? 1.2406 0.976911 1.30299 -0.00300017 -0.0148903 0.122573 206 THR B CA +3236 C C . THR B 212 ? 1.1559 0.911007 1.22221 0.00679685 -0.00563105 0.120993 206 THR B C +3237 O O . THR B 212 ? 1.15755 0.924756 1.22935 0.00490848 -0.00328903 0.128902 206 THR B O +3238 C CB . THR B 212 ? 1.28371 0.991037 1.33595 -0.00428281 -0.0234299 0.1262 206 THR B CB +3239 O OG1 . THR B 212 ? 1.4999 1.18857 1.54731 -0.015218 -0.033891 0.128192 206 THR B OG1 +3240 C CG2 . THR B 212 ? 1.23262 0.921067 1.2718 0.0102735 -0.0221214 0.117167 206 THR B CG2 +3241 N N . LYS B 213 ? 1.08781 0.844962 1.15064 0.0168482 -0.00111162 0.1117 207 LYS B N +3242 C CA . LYS B 213 ? 1.05831 0.82798 1.12314 0.025566 0.0048027 0.111306 207 LYS B CA +3243 C C . LYS B 213 ? 1.11911 0.871192 1.17555 0.0359388 0.00359166 0.10806 207 LYS B C +3244 O O . LYS B 213 ? 1.249 0.987701 1.29774 0.0412724 0.00251116 0.101058 207 LYS B O +3245 C CB . LYS B 213 ? 1.04959 0.839027 1.11856 0.0290396 0.0107014 0.105951 207 LYS B CB +3246 C CG . LYS B 213 ? 1.24826 1.05572 1.32358 0.022291 0.0131571 0.108736 207 LYS B CG +3247 C CD . LYS B 213 ? 1.39474 1.21313 1.47325 0.01944 0.0148809 0.117682 207 LYS B CD +3248 C CE . LYS B 213 ? 1.49353 1.32712 1.57715 0.0133215 0.0171136 0.121973 207 LYS B CE +3249 N NZ . LYS B 213 ? 1.61379 1.456 1.69954 0.0103742 0.0185448 0.132353 207 LYS B NZ +3250 N N . SER B 214 ? 1.10581 0.858792 1.16307 0.0399084 0.00421141 0.113503 208 SER B N +3251 C CA . SER B 214 ? 1.08592 0.825 1.13623 0.0515468 0.00387304 0.111838 208 SER B CA +3252 C C . SER B 214 ? 1.06301 0.819813 1.11957 0.0584794 0.00834446 0.115321 208 SER B C +3253 O O . SER B 214 ? 1.09361 0.868693 1.15718 0.0533657 0.0102793 0.119404 208 SER B O +3254 C CB . SER B 214 ? 1.13836 0.851745 1.18033 0.0499805 -0.00289834 0.115944 208 SER B CB +3255 O OG . SER B 214 ? 1.24584 0.966988 1.29397 0.043288 -0.0039202 0.12533 208 SER B OG +3256 N N . PHE B 215 ? 1.06225 0.812174 1.11473 0.0709115 0.00949951 0.114104 209 PHE B N +3257 C CA . PHE B 215 ? 1.05842 0.820933 1.11639 0.0779664 0.0117133 0.119801 209 PHE B CA +3258 C C . PHE B 215 ? 1.14186 0.886522 1.19207 0.0910966 0.0108945 0.120667 209 PHE B C +3259 O O . PHE B 215 ? 1.24605 0.971692 1.28554 0.0978094 0.0103026 0.11478 209 PHE B O +3260 C CB . PHE B 215 ? 0.990062 0.776845 1.05604 0.0808545 0.0162651 0.118188 209 PHE B CB +3261 C CG . PHE B 215 ? 1.05582 0.8419 1.11907 0.0915918 0.0196633 0.112834 209 PHE B CG +3262 C CD1 . PHE B 215 ? 1.0871 0.870921 1.14712 0.0886435 0.0206416 0.105313 209 PHE B CD1 +3263 C CD2 . PHE B 215 ? 1.15167 0.942102 1.21615 0.105221 0.0223742 0.116354 209 PHE B CD2 +3264 C CE1 . PHE B 215 ? 1.12274 0.906583 1.17908 0.0989496 0.0241968 0.100937 209 PHE B CE1 +3265 C CE2 . PHE B 215 ? 1.1639 0.956211 1.22552 0.116424 0.0266558 0.112641 209 PHE B CE2 +3266 C CZ . PHE B 215 ? 1.14163 0.930098 1.19849 0.113192 0.0276011 0.104698 209 PHE B CZ +3267 N N . ASN B 216 ? 1.12997 0.879923 1.18411 0.0956748 0.0106959 0.128141 210 ASN B N +3268 C CA . ASN B 216 ? 1.10732 0.845019 1.15558 0.110863 0.0111092 0.130093 210 ASN B CA +3269 C C . ASN B 216 ? 0.987576 0.750987 1.04584 0.121211 0.0167407 0.132954 210 ASN B C +3270 O O . ASN B 216 ? 1.03179 0.818792 1.10171 0.114834 0.0171098 0.137991 210 ASN B O +3271 C CB . ASN B 216 ? 1.21392 0.939934 1.26017 0.109928 0.0066086 0.137739 210 ASN B CB +3272 C CG . ASN B 216 ? 1.26995 0.974903 1.30904 0.0970957 0.00029982 0.137734 210 ASN B CG +3273 O OD1 . ASN B 216 ? 1.17355 0.864237 1.2056 0.0915465 -0.00206318 0.131691 210 ASN B OD1 +3274 N ND2 . ASN B 216 ? 1.36831 1.07258 1.40989 0.0913288 -0.00304196 0.145903 210 ASN B ND2 +3275 N N . ARG B 217 ? 0.971217 0.730035 1.02404 0.136782 0.0206446 0.130384 211 ARG B N +3276 C CA . ARG B 217 ? 1.01063 0.796446 1.07449 0.147552 0.0262083 0.135565 211 ARG B CA +3277 C C . ARG B 217 ? 0.99012 0.790021 1.06419 0.150459 0.0249184 0.146943 211 ARG B C +3278 O O . ARG B 217 ? 0.978389 0.76293 1.04616 0.16033 0.0238779 0.150266 211 ARG B O +3279 C CB . ARG B 217 ? 1.09673 0.871878 1.14984 0.166425 0.0313018 0.13165 211 ARG B CB +3280 C CG . ARG B 217 ? 1.10455 0.90757 1.16881 0.181511 0.0379145 0.139732 211 ARG B CG +3281 C CD . ARG B 217 ? 1.20068 0.986938 1.24932 0.203741 0.0433576 0.136286 211 ARG B CD +3282 N NE . ARG B 217 ? 1.25077 1.00079 1.28118 0.212403 0.0396482 0.134028 211 ARG B NE +3283 C CZ . ARG B 217 ? 1.30052 1.0498 1.33319 0.221653 0.0389787 0.142344 211 ARG B CZ +3284 N NH1 . ARG B 217 ? 1.3587 1.14349 1.41196 0.223988 0.0420463 0.153975 211 ARG B NH1 +3285 N NH2 . ARG B 217 ? 1.45381 1.16653 1.46777 0.228847 0.0345718 0.13975 211 ARG B NH2 +3286 N N . GLY B 218 ? 1.00503 0.832529 1.09358 0.141415 0.0239759 0.153043 212 GLY B N +3287 C CA . GLY B 218 ? 0.962905 0.804492 1.06098 0.139566 0.020734 0.163898 212 GLY B CA +3288 C C . GLY B 218 ? 1.08932 0.918004 1.18277 0.126634 0.015107 0.164504 212 GLY B C +3289 O O . GLY B 218 ? 1.08254 0.899962 1.17298 0.131399 0.0129654 0.169459 212 GLY B O +3290 N N . GLU B 219 ? 1.31666 1.14757 1.4092 0.111583 0.012969 0.160623 213 GLU B N +3291 C CA . GLU B 219 ? 1.55215 1.37352 1.64005 0.100867 0.00884024 0.162682 213 GLU B CA +3292 C C . GLU B 219 ? 1.4125 1.25291 1.50535 0.0913877 0.00587045 0.167747 213 GLU B C +3293 O O . GLU B 219 ? 1.19948 1.05408 1.2956 0.0869421 0.00631232 0.164965 213 GLU B O +3294 C CB . GLU B 219 ? 1.95505 1.75867 2.03428 0.0922111 0.00852524 0.155423 213 GLU B CB +3295 C CG . GLU B 219 ? 2.02568 1.82097 2.10092 0.0827605 0.00496761 0.160103 213 GLU B CG +3296 C CD . GLU B 219 ? 1.91673 1.71276 1.98921 0.0700779 0.00504027 0.157363 213 GLU B CD +3297 O OE1 . GLU B 219 ? 1.49141 1.27408 1.55957 0.0643206 0.00289088 0.15979 213 GLU B OE1 +3298 O OE2 . GLU B 219 ? 1.77787 1.58839 1.8525 0.065929 0.00699674 0.153845 213 GLU B OE2 +3299 N N . ASN C 1 ? 2.1502 1.43573 1.62896 0.189479 0.241839 -0.0386865 1 ASN C N +3300 C CA . ASN C 1 ? 1.99153 1.33022 1.54217 0.206729 0.256499 -0.0246672 1 ASN C CA +3301 C C . ASN C 1 ? 1.68533 1.11976 1.30935 0.184374 0.203294 -0.0348505 1 ASN C C +3302 O O . ASN C 1 ? 1.65486 1.10937 1.27166 0.15983 0.161766 -0.0499236 1 ASN C O +3303 C CB . ASN C 1 ? 2.05515 1.43011 1.67416 0.243657 0.303687 0.00540778 1 ASN C CB +3304 C CG . ASN C 1 ? 2.14246 1.41195 1.68453 0.274637 0.369476 0.0211902 1 ASN C CG +3305 O OD1 . ASN C 1 ? 2.07986 1.22864 1.49711 0.265295 0.380971 0.00567923 1 ASN C OD1 +3306 N ND2 . ASN C 1 ? 2.05387 1.36375 1.66459 0.310906 0.415422 0.0553229 1 ASN C ND2 +3307 N N . LYS C 2 ? 1.56163 1.05172 1.25274 0.195625 0.207574 -0.0233907 2 LYS C N +3308 C CA . LYS C 2 ? 1.4671 1.02898 1.21314 0.17733 0.165972 -0.0319741 2 LYS C CA +3309 C C . LYS C 2 ? 1.37252 1.02155 1.21893 0.193578 0.171126 -0.0112106 2 LYS C C +3310 O O . LYS C 2 ? 1.31669 0.970823 1.18964 0.219842 0.208188 0.0131654 2 LYS C O +3311 C CB . LYS C 2 ? 1.50215 1.01134 1.19019 0.165219 0.163195 -0.0424444 2 LYS C CB +3312 C CG . LYS C 2 ? 1.58054 1.01556 1.1706 0.134163 0.143556 -0.062115 2 LYS C CG +3313 C CD . LYS C 2 ? 1.60771 1.10512 1.22718 0.105377 0.0903582 -0.0737268 2 LYS C CD +3314 C CE . LYS C 2 ? 1.6624 1.10763 1.19825 0.0676747 0.0623387 -0.0863469 2 LYS C CE +3315 N NZ . LYS C 2 ? 1.53911 1.06266 1.12555 0.0445319 0.0170066 -0.0892 2 LYS C NZ +3316 N N . ILE C 3 ? 1.26812 0.987251 1.17016 0.177492 0.134289 -0.0170364 3 ILE C N +3317 C CA . ILE C 3 ? 1.14606 0.940596 1.1296 0.184521 0.132272 0.00237503 3 ILE C CA +3318 C C . ILE C 3 ? 1.08948 0.880995 1.07533 0.193497 0.138659 0.00827379 3 ILE C C +3319 O O . ILE C 3 ? 1.13326 0.88549 1.07181 0.181421 0.127163 -0.0103428 3 ILE C O +3320 C CB . ILE C 3 ? 1.17185 1.0209 1.19245 0.161928 0.093878 -0.00765934 3 ILE C CB +3321 C CG1 . ILE C 3 ? 1.32889 1.16686 1.33309 0.154846 0.0902165 -0.014717 3 ILE C CG1 +3322 C CG2 . ILE C 3 ? 1.14924 1.06792 1.23985 0.159397 0.0853405 0.0115884 3 ILE C CG2 +3323 C CD1 . ILE C 3 ? 1.44023 1.29442 1.44202 0.136964 0.057572 -0.0308723 3 ILE C CD1 +3324 N N . LEU C 4 ? 1.07523 0.913121 1.11801 0.212323 0.154283 0.0364131 4 LEU C N +3325 C CA . LEU C 4 ? 1.09815 0.936044 1.14448 0.222997 0.159044 0.04412 4 LEU C CA +3326 C C . LEU C 4 ? 1.0732 0.975837 1.16736 0.20259 0.118783 0.0400065 4 LEU C C +3327 O O . LEU C 4 ? 1.38595 1.34603 1.52706 0.187445 0.0962807 0.0451553 4 LEU C O +3328 C CB . LEU C 4 ? 1.26036 1.11691 1.34366 0.259939 0.199576 0.0840467 4 LEU C CB +3329 C CG . LEU C 4 ? 1.38009 1.1506 1.40072 0.290584 0.254259 0.0933026 4 LEU C CG +3330 C CD1 . LEU C 4 ? 1.35726 1.15426 1.42155 0.333917 0.295131 0.138504 4 LEU C CD1 +3331 C CD2 . LEU C 4 ? 1.39462 1.04935 1.30093 0.279665 0.261715 0.0611085 4 LEU C CD2 +3332 N N . VAL C 5 ? 1.0333 0.918668 1.10859 0.20197 0.113447 0.032913 5 VAL C N +3333 C CA . VAL C 5 ? 1.04384 0.974915 1.15007 0.183292 0.0789687 0.027146 5 VAL C CA +3334 C C . VAL C 5 ? 1.02562 0.968707 1.14884 0.201642 0.0895775 0.0478128 5 VAL C C +3335 O O . VAL C 5 ? 1.22093 1.10574 1.29661 0.214382 0.111953 0.043125 5 VAL C O +3336 C CB . VAL C 5 ? 1.08817 0.991559 1.15561 0.159085 0.0555901 -0.00449573 5 VAL C CB +3337 C CG1 . VAL C 5 ? 1.01575 0.96329 1.11284 0.138986 0.023589 -0.0112314 5 VAL C CG1 +3338 C CG2 . VAL C 5 ? 1.32289 1.18285 1.34455 0.150744 0.0585438 -0.0219894 5 VAL C CG2 +3339 N N . LYS C 6 ? 1.10014 1.11324 1.28292 0.199211 0.0716464 0.0706937 6 LYS C N +3340 C CA . LYS C 6 ? 1.23445 1.27072 1.43794 0.212904 0.0717009 0.0923781 6 LYS C CA +3341 C C . LYS C 6 ? 1.12954 1.18456 1.33372 0.183343 0.0323179 0.0764598 6 LYS C C +3342 O O . LYS C 6 ? 1.15463 1.24806 1.3824 0.159205 0.00535134 0.0768282 6 LYS C O +3343 C CB . LYS C 6 ? 1.29461 1.40082 1.56584 0.235166 0.082598 0.141192 6 LYS C CB +3344 C CG . LYS C 6 ? 1.44564 1.54882 1.73177 0.265951 0.124797 0.165791 6 LYS C CG +3345 C CD . LYS C 6 ? 1.54942 1.6936 1.87014 0.245749 0.113117 0.168148 6 LYS C CD +3346 C CE . LYS C 6 ? 1.41155 1.5463 1.74195 0.273235 0.156476 0.189083 6 LYS C CE +3347 N NZ . LYS C 6 ? 1.27759 1.41007 1.6024 0.247061 0.144141 0.169648 6 LYS C NZ +3348 N N . GLN C 7 ? 1.06558 1.0843 1.23569 0.184437 0.0324557 0.0631216 7 GLN C N +3349 C CA . GLN C 7 ? 1.00528 1.03614 1.1731 0.16275 0.00260307 0.0538296 7 GLN C CA +3350 C C . GLN C 7 ? 1.05825 1.07954 1.21844 0.179717 0.0105292 0.0678569 7 GLN C C +3351 O O . GLN C 7 ? 1.20597 1.18195 1.33676 0.201171 0.0403024 0.0672807 7 GLN C O +3352 C CB . GLN C 7 ? 1.03811 1.03199 1.16833 0.140912 -0.00780649 0.0181896 7 GLN C CB +3353 C CG . GLN C 7 ? 1.11078 1.05773 1.20584 0.145192 0.0123341 4.014e-05 7 GLN C CG +3354 C CD . GLN C 7 ? 1.07864 1.00449 1.14757 0.124437 0.00067171 -0.0262945 7 GLN C CD +3355 O OE1 . GLN C 7 ? 1.01337 0.924646 1.06646 0.117206 0.00196176 -0.0387205 7 GLN C OE1 +3356 N NE2 . GLN C 7 ? 1.03628 0.962365 1.1013 0.115747 -0.0097046 -0.0314109 7 GLN C NE2 +3357 N N . SER C 8 ? 1.1047 1.15975 1.28122 0.16772 -0.0159998 0.0803394 8 SER C N +3358 C CA . SER C 8 ? 0.995163 1.04495 1.16391 0.182346 -0.0136236 0.0961278 8 SER C CA +3359 C C . SER C 8 ? 0.959261 0.937121 1.07367 0.18802 0.00834832 0.0693577 8 SER C C +3360 O O . SER C 8 ? 0.91967 0.867624 1.00714 0.16653 0.00298289 0.0377018 8 SER C O +3361 C CB . SER C 8 ? 1.03338 1.10768 1.20334 0.158246 -0.0497124 0.102091 8 SER C CB +3362 O OG . SER C 8 ? 1.16876 1.31158 1.38724 0.163688 -0.0653421 0.145704 8 SER C OG +3363 N N . PRO C 9 ? 0.937461 0.886989 1.03435 0.216525 0.0346787 0.0849418 9 PRO C N +3364 C CA . PRO C 9 ? 0.902954 0.776477 0.939596 0.216052 0.0564861 0.0607174 9 PRO C CA +3365 C C . PRO C 9 ? 0.972853 0.83415 0.989475 0.19558 0.0370587 0.0452619 9 PRO C C +3366 O O . PRO C 9 ? 1.15136 0.965605 1.12908 0.179109 0.04424 0.0186065 9 PRO C O +3367 C CB . PRO C 9 ? 0.914372 0.759412 0.936332 0.256352 0.0939751 0.0884833 9 PRO C CB +3368 C CG . PRO C 9 ? 0.899124 0.822091 0.982455 0.276035 0.0793184 0.131479 9 PRO C CG +3369 C CD . PRO C 9 ? 0.893348 0.882704 1.02645 0.250373 0.0462585 0.130306 9 PRO C CD +3370 N N . MET C 10 ? 0.964376 0.867261 1.00491 0.192776 0.011657 0.063057 10 MET C N +3371 C CA . MET C 10 ? 0.987229 0.867347 0.998799 0.175696 -0.00257171 0.050048 10 MET C CA +3372 C C . MET C 10 ? 1.0105 0.931118 1.03945 0.15423 -0.0389374 0.0573699 10 MET C C +3373 O O . MET C 10 ? 1.26803 1.24133 1.33328 0.158327 -0.0553739 0.0863512 10 MET C O +3374 C CB . MET C 10 ? 1.04712 0.900568 1.0348 0.198954 0.0119009 0.0684373 10 MET C CB +3375 C CG . MET C 10 ? 1.05854 0.884267 1.01169 0.183885 -0.0010085 0.0588958 10 MET C CG +3376 S SD . MET C 10 ? 1.04162 0.809623 0.953713 0.158001 0.0123273 0.0171549 10 MET C SD +3377 C CE . MET C 10 ? 1.1422 0.851404 1.0172 0.178308 0.052518 0.0169844 10 MET C CE +3378 N N . LEU C 11 ? 1.06341 0.955108 1.06173 0.130699 -0.0488679 0.0340607 11 LEU C N +3379 C CA . LEU C 11 ? 1.09544 0.994424 1.08068 0.107163 -0.0782653 0.0374689 11 LEU C CA +3380 C C . LEU C 11 ? 1.14478 0.988686 1.07856 0.0983994 -0.073958 0.0220514 11 LEU C C +3381 O O . LEU C 11 ? 1.13494 0.947662 1.05498 0.0965646 -0.0536799 -0.00119086 11 LEU C O +3382 C CB . LEU C 11 ? 1.02632 0.934712 1.01967 0.0881092 -0.0860283 0.0225595 11 LEU C CB +3383 C CG . LEU C 11 ? 0.955984 0.915615 0.996083 0.0912956 -0.0914157 0.036607 11 LEU C CG +3384 C CD1 . LEU C 11 ? 1.07514 1.02545 1.11 0.0757803 -0.0913079 0.0156624 11 LEU C CD1 +3385 C CD2 . LEU C 11 ? 0.890966 0.89699 0.95151 0.0813427 -0.119905 0.0691267 11 LEU C CD2 +3386 N N . VAL C 12 ? 1.10695 0.941215 1.01213 0.0903848 -0.0942442 0.0375482 12 VAL C N +3387 C CA . VAL C 12 ? 1.11225 0.885461 0.959279 0.0801791 -0.0891742 0.0234028 12 VAL C CA +3388 C C . VAL C 12 ? 1.12581 0.87401 0.9359 0.0523755 -0.10532 0.0150154 12 VAL C C +3389 O O . VAL C 12 ? 1.08154 0.846332 0.881923 0.0329528 -0.136881 0.0322793 12 VAL C O +3390 C CB . VAL C 12 ? 1.15345 0.912295 0.973018 0.0882256 -0.0982895 0.043905 12 VAL C CB +3391 C CG1 . VAL C 12 ? 1.17855 0.866246 0.928025 0.0763886 -0.0935913 0.0315794 12 VAL C CG1 +3392 C CG2 . VAL C 12 ? 1.27165 1.03629 1.11441 0.119305 -0.0721272 0.050128 12 VAL C CG2 +3393 N N . ALA C 13 ? 1.22058 0.927231 1.00774 0.0503189 -0.081591 -0.00824688 13 ALA C N +3394 C CA . ALA C 13 ? 1.35708 1.01285 1.08834 0.030662 -0.083603 -0.0166917 13 ALA C CA +3395 C C . ALA C 13 ? 1.43902 1.03019 1.09315 0.0181337 -0.0918286 -0.011312 13 ALA C C +3396 O O . ALA C 13 ? 1.62636 1.18501 1.26064 0.0304662 -0.0719543 -0.0154753 13 ALA C O +3397 C CB . ALA C 13 ? 1.33323 0.969451 1.06948 0.0411436 -0.0492987 -0.0350659 13 ALA C CB +3398 N N . TYR C 14 ? 1.4492 1.01556 1.0518 -0.010606 -0.121924 -0.0016894 14 TYR C N +3399 C CA . TYR C 14 ? 1.60486 1.0956 1.11644 -0.0284048 -0.13181 0.00255354 14 TYR C CA +3400 C C . TYR C 14 ? 1.75948 1.16001 1.18513 -0.0471387 -0.116905 -0.012066 14 TYR C C +3401 O O . TYR C 14 ? 1.77374 1.17765 1.19503 -0.0650987 -0.127214 -0.0137822 14 TYR C O +3402 C CB . TYR C 14 ? 1.72805 1.25747 1.23774 -0.0516593 -0.182047 0.0307627 14 TYR C CB +3403 C CG . TYR C 14 ? 1.74308 1.3428 1.31978 -0.0252003 -0.188612 0.0512931 14 TYR C CG +3404 C CD1 . TYR C 14 ? 1.78998 1.35043 1.33507 -0.00787392 -0.173828 0.0515842 14 TYR C CD1 +3405 C CD2 . TYR C 14 ? 1.73451 1.4313 1.39557 -0.0177724 -0.208307 0.0745804 14 TYR C CD2 +3406 C CE1 . TYR C 14 ? 1.72955 1.34103 1.32186 0.0179541 -0.177045 0.0731812 14 TYR C CE1 +3407 C CE2 . TYR C 14 ? 1.64904 1.399 1.36153 0.0118229 -0.207544 0.0978833 14 TYR C CE2 +3408 C CZ . TYR C 14 ? 1.66825 1.37263 1.34325 0.0298554 -0.19197 0.0968383 14 TYR C CZ +3409 O OH . TYR C 14 ? 1.46489 1.21076 1.18125 0.0622238 -0.186282 0.121089 14 TYR C OH +3410 N N . ASP C 15 ? 1.72136 1.03547 1.0751 -0.0401999 -0.0876173 -0.0211041 15 ASP C N +3411 C CA . ASP C 15 ? 1.8336 1.04403 1.09527 -0.0473307 -0.0581941 -0.0329788 15 ASP C CA +3412 C C . ASP C 15 ? 1.70799 0.949305 1.02742 -0.024245 -0.0246165 -0.0430788 15 ASP C C +3413 O O . ASP C 15 ? 1.72707 0.909241 0.98995 -0.0328723 -0.0110157 -0.0479195 15 ASP C O +3414 C CB . ASP C 15 ? 2.10201 1.23986 1.25767 -0.0932977 -0.0922444 -0.0273912 15 ASP C CB +3415 C CG . ASP C 15 ? 2.44758 1.51084 1.5037 -0.117617 -0.114205 -0.0186181 15 ASP C CG +3416 O OD1 . ASP C 15 ? 2.37012 1.47312 1.46478 -0.10097 -0.120456 -0.0104251 15 ASP C OD1 +3417 O OD2 . ASP C 15 ? 2.75442 1.7092 1.68311 -0.154484 -0.123846 -0.0197434 15 ASP C OD2 +3418 N N . ASN C 16 ? 1.61581 0.942452 1.03919 0.00422411 -0.0104734 -0.0447229 16 ASN C N +3419 C CA . ASN C 16 ? 1.59681 0.963314 1.08327 0.0279416 0.0205507 -0.0506066 16 ASN C CA +3420 C C . ASN C 16 ? 1.54665 0.95409 1.06388 0.0182228 0.00110359 -0.0510024 16 ASN C C +3421 O O . ASN C 16 ? 1.30539 0.725543 0.850227 0.0349067 0.0257373 -0.0540195 16 ASN C O +3422 C CB . ASN C 16 ? 1.56673 0.856371 0.999294 0.0455367 0.0707049 -0.0525852 16 ASN C CB +3423 C CG . ASN C 16 ? 1.39138 0.648958 0.806165 0.0580551 0.0966005 -0.0509898 16 ASN C CG +3424 O OD1 . ASN C 16 ? 1.57898 0.739826 0.895536 0.0500745 0.106881 -0.0507004 16 ASN C OD1 +3425 N ND2 . ASN C 16 ? 1.28241 0.612094 0.781942 0.0738643 0.107015 -0.0498988 16 ASN C ND2 +3426 N N . ALA C 17 ? 1.50256 0.941551 1.02555 -0.00657799 -0.0422737 -0.0443662 17 ALA C N +3427 C CA . ALA C 17 ? 1.29685 0.776785 0.851377 -0.0177153 -0.0600124 -0.0430952 17 ALA C CA +3428 C C . ALA C 17 ? 1.23712 0.810133 0.868942 -0.0220414 -0.0943688 -0.0311719 17 ALA C C +3429 O O . ALA C 17 ? 1.24904 0.839123 0.884931 -0.0257484 -0.113684 -0.0197046 17 ALA C O +3430 C CB . ALA C 17 ? 1.4049 0.80282 0.859818 -0.0515854 -0.0726058 -0.0424323 17 ALA C CB +3431 N N . VAL C 18 ? 1.29266 0.921465 0.981919 -0.0186935 -0.0983649 -0.0312055 18 VAL C N +3432 C CA . VAL C 18 ? 1.25881 0.973474 1.02486 -0.0154692 -0.119763 -0.0180885 18 VAL C CA +3433 C C . VAL C 18 ? 1.29713 1.04142 1.08814 -0.0260338 -0.127847 -0.0168949 18 VAL C C +3434 O O . VAL C 18 ? 1.22205 0.926947 0.982682 -0.0273481 -0.11144 -0.0291805 18 VAL C O +3435 C CB . VAL C 18 ? 1.19225 0.944859 1.01735 0.0168437 -0.097376 -0.0235405 18 VAL C CB +3436 C CG1 . VAL C 18 ? 1.29307 1.05668 1.14743 0.0316064 -0.0736995 -0.0374222 18 VAL C CG1 +3437 C CG2 . VAL C 18 ? 1.12941 0.946432 1.01278 0.0271233 -0.110428 -0.00692672 18 VAL C CG2 +3438 N N . ASN C 19 ? 1.25225 1.06642 1.10009 -0.0302738 -0.149437 0.00098501 19 ASN C N +3439 C CA . ASN C 19 ? 1.12187 0.970351 1.00024 -0.0397965 -0.155777 0.00496542 19 ASN C CA +3440 C C . ASN C 19 ? 1.05475 0.970322 1.01362 -0.00975138 -0.143608 0.0104368 19 ASN C C +3441 O O . ASN C 19 ? 1.07975 1.0463 1.08209 -0.00120553 -0.153046 0.0319942 19 ASN C O +3442 C CB . ASN C 19 ? 1.24015 1.10739 1.10563 -0.0799225 -0.192816 0.0274163 19 ASN C CB +3443 C CG . ASN C 19 ? 1.50259 1.28376 1.26755 -0.118811 -0.203795 0.0192553 19 ASN C CG +3444 O OD1 . ASN C 19 ? 1.51179 1.25387 1.24216 -0.132148 -0.194771 0.00788637 19 ASN C OD1 +3445 N ND2 . ASN C 19 ? 1.76903 1.51088 1.47663 -0.138248 -0.221801 0.025873 19 ASN C ND2 +3446 N N . LEU C 20 ? 1.01909 0.928726 0.991402 0.00792051 -0.120182 -0.00695123 20 LEU C N +3447 C CA . LEU C 20 ? 0.937165 0.888766 0.964275 0.0326058 -0.106096 -0.00542601 20 LEU C CA +3448 C C . LEU C 20 ? 1.12226 1.10424 1.17694 0.026911 -0.109232 0.00139129 20 LEU C C +3449 O O . LEU C 20 ? 1.5104 1.47225 1.55008 0.0237936 -0.101474 -0.0118126 20 LEU C O +3450 C CB . LEU C 20 ? 0.859768 0.785335 0.878305 0.0498738 -0.0831944 -0.0257435 20 LEU C CB +3451 C CG . LEU C 20 ? 0.923724 0.871071 0.975941 0.0690973 -0.0680751 -0.0287633 20 LEU C CG +3452 C CD1 . LEU C 20 ? 1.03145 1.00595 1.11023 0.080286 -0.0684545 -0.0101809 20 LEU C CD1 +3453 C CD2 . LEU C 20 ? 0.928647 0.85517 0.969836 0.0760876 -0.0532756 -0.0427862 20 LEU C CD2 +3454 N N . SER C 21 ? 1.16937 1.20296 1.26659 0.0270481 -0.119241 0.026727 21 SER C N +3455 C CA . SER C 21 ? 1.07304 1.1441 1.20653 0.0244579 -0.118313 0.0391348 21 SER C CA +3456 C C . SER C 21 ? 0.985898 1.06263 1.1457 0.0563446 -0.0903293 0.0337114 21 SER C C +3457 O O . SER C 21 ? 0.965867 1.04827 1.13969 0.0794359 -0.0770416 0.040778 21 SER C O +3458 C CB . SER C 21 ? 1.09612 1.22943 1.27163 0.0115964 -0.13874 0.0761172 21 SER C CB +3459 O OG . SER C 21 ? 1.17766 1.31185 1.33234 -0.0306731 -0.16521 0.0828785 21 SER C OG +3460 N N . CYS C 22 ? 0.980669 1.04682 1.13725 0.0564359 -0.0803448 0.0220117 22 CYS C N +3461 C CA . CYS C 22 ? 0.979331 1.0416 1.14798 0.0809596 -0.0560863 0.0178327 22 CYS C CA +3462 C C . CYS C 22 ? 1.00205 1.09971 1.20679 0.0832703 -0.0491228 0.0388504 22 CYS C C +3463 O O . CYS C 22 ? 1.21126 1.31043 1.41189 0.064804 -0.0567445 0.0365853 22 CYS C O +3464 C CB . CYS C 22 ? 1.00682 1.03018 1.1424 0.0814223 -0.0494159 -0.00884921 22 CYS C CB +3465 S SG . CYS C 22 ? 1.10502 1.09664 1.20718 0.0770797 -0.0546932 -0.0280951 22 CYS C SG +3466 N N . LYS C 23 ? 1.04215 1.16544 1.2802 0.107008 -0.031095 0.0622343 23 LYS C N +3467 C CA . LYS C 23 ? 1.03487 1.20313 1.31866 0.11223 -0.0206567 0.0912436 23 LYS C CA +3468 C C . LYS C 23 ? 1.09804 1.22759 1.36284 0.133818 0.0111972 0.0800373 23 LYS C C +3469 O O . LYS C 23 ? 1.22833 1.31756 1.46697 0.158029 0.0347216 0.0732407 23 LYS C O +3470 C CB . LYS C 23 ? 0.969612 1.19956 1.30896 0.127211 -0.0179303 0.134279 23 LYS C CB +3471 C CG . LYS C 23 ? 1.02389 1.28695 1.37053 0.0977444 -0.0567398 0.144389 23 LYS C CG +3472 C CD . LYS C 23 ? 1.15257 1.49187 1.55884 0.104981 -0.0659393 0.193213 23 LYS C CD +3473 C CE . LYS C 23 ? 1.17905 1.52266 1.56518 0.0792761 -0.103197 0.194131 23 LYS C CE +3474 N NZ . LYS C 23 ? 1.13946 1.57178 1.58275 0.0587897 -0.132487 0.243134 23 LYS C NZ +3475 N N . TYR C 24 ? 1.01697 1.14985 1.28463 0.121362 0.0116186 0.0777846 24 TYR C N +3476 C CA . TYR C 24 ? 0.87771 0.969221 1.11949 0.137756 0.038731 0.0672125 24 TYR C CA +3477 C C . TYR C 24 ? 0.944863 1.06999 1.23051 0.155767 0.0666531 0.101318 24 TYR C C +3478 O O . TYR C 24 ? 0.987424 1.1819 1.33318 0.148526 0.0588141 0.134561 24 TYR C O +3479 C CB . TYR C 24 ? 0.845793 0.91057 1.05444 0.116177 0.0241814 0.0419392 24 TYR C CB +3480 C CG . TYR C 24 ? 0.854406 0.893761 1.02815 0.103304 0.0019498 0.0159461 24 TYR C CG +3481 C CD1 . TYR C 24 ? 0.82198 0.824256 0.962422 0.11482 0.00706071 -0.00219426 24 TYR C CD1 +3482 C CD2 . TYR C 24 ? 0.938328 0.987271 1.10851 0.0778622 -0.0217326 0.0125881 24 TYR C CD2 +3483 C CE1 . TYR C 24 ? 0.893237 0.882434 1.01224 0.104902 -0.00972337 -0.0200061 24 TYR C CE1 +3484 C CE2 . TYR C 24 ? 1.01613 1.03756 1.15341 0.0720124 -0.0338188 -0.00722875 24 TYR C CE2 +3485 C CZ . TYR C 24 ? 1.11076 1.11003 1.23054 0.0874231 -0.0272616 -0.0216077 24 TYR C CZ +3486 O OH . TYR C 24 ? 1.21735 1.19963 1.31499 0.0833737 -0.0360649 -0.035588 24 TYR C OH +3487 N N . SER C 25 ? 1.06635 1.14137 1.31955 0.178359 0.10004 0.0958746 25 SER C N +3488 C CA . SER C 25 ? 1.09684 1.1915 1.38366 0.199415 0.135273 0.127591 25 SER C CA +3489 C C . SER C 25 ? 1.0346 1.11482 1.30634 0.181594 0.133336 0.114959 25 SER C C +3490 O O . SER C 25 ? 1.03874 1.07186 1.27911 0.199936 0.165824 0.113721 25 SER C O +3491 C CB . SER C 25 ? 1.14795 1.1815 1.39653 0.239992 0.182341 0.134548 25 SER C CB +3492 O OG . SER C 25 ? 1.3084 1.25049 1.47243 0.239437 0.192781 0.101069 25 SER C OG +3493 N N . TYR C 26 ? 1.0562 1.16535 1.33898 0.145809 0.0974926 0.105217 26 TYR C N +3494 C CA . TYR C 26 ? 1.28028 1.36766 1.54005 0.128002 0.0954605 0.0920852 26 TYR C CA +3495 C C . TYR C 26 ? 1.28314 1.40983 1.56312 0.0871055 0.0621186 0.0951815 26 TYR C C +3496 O O . TYR C 26 ? 1.27042 1.41214 1.55095 0.0699036 0.0335637 0.0901 26 TYR C O +3497 C CB . TYR C 26 ? 1.45047 1.46138 1.63497 0.1331 0.0934311 0.0541787 26 TYR C CB +3498 C CG . TYR C 26 ? 1.41954 1.3849 1.56582 0.137214 0.111872 0.0454726 26 TYR C CG +3499 C CD1 . TYR C 26 ? 1.28478 1.2469 1.44449 0.154604 0.148396 0.0670127 26 TYR C CD1 +3500 C CD2 . TYR C 26 ? 1.3991 1.32307 1.4941 0.126927 0.0953701 0.0185263 26 TYR C CD2 +3501 C CE1 . TYR C 26 ? 1.4019 1.31527 1.51925 0.157788 0.165565 0.0582751 26 TYR C CE1 +3502 C CE2 . TYR C 26 ? 1.53628 1.41761 1.5926 0.131149 0.109985 0.012015 26 TYR C CE2 +3503 C CZ . TYR C 26 ? 1.59304 1.46515 1.65656 0.145003 0.144102 0.0297313 26 TYR C CZ +3504 O OH . TYR C 26 ? 1.5725 1.39382 1.58683 0.147428 0.155217 0.0196966 26 TYR C OH +3505 N N . ASN C 27 ? 1.39927 1.53248 1.68592 0.0692347 0.0678855 0.103515 27 ASN C N +3506 C CA . ASN C 27 ? 1.33037 1.49441 1.62927 0.0237836 0.040228 0.112 27 ASN C CA +3507 C C . ASN C 27 ? 1.16216 1.2569 1.3854 0.00677326 0.0233222 0.0749722 27 ASN C C +3508 O O . ASN C 27 ? 1.29984 1.34909 1.48464 0.00765983 0.0369298 0.0615864 27 ASN C O +3509 C CB . ASN C 27 ? 1.34793 1.54819 1.68593 0.00867399 0.0562267 0.140154 27 ASN C CB +3510 C CG . ASN C 27 ? 1.61956 1.88558 1.99904 -0.041992 0.0261306 0.16816 27 ASN C CG +3511 O OD1 . ASN C 27 ? 1.96981 2.2583 2.35224 -0.0627075 -0.0063227 0.170479 27 ASN C OD1 +3512 N ND2 . ASN C 27 ? 1.89768 2.19223 2.30429 -0.0667569 0.0348876 0.190557 27 ASN C ND2 +3513 N N . LEU C 28 ? 1.13829 1.22271 1.33869 -0.00561373 -0.00233206 0.0617372 28 LEU C N +3514 C CA . LEU C 28 ? 1.22928 1.24658 1.35896 -0.0126956 -0.0109477 0.0315311 28 LEU C CA +3515 C C . LEU C 28 ? 1.23129 1.22229 1.32276 -0.0563968 -0.0236142 0.0320944 28 LEU C C +3516 O O . LEU C 28 ? 1.17663 1.10167 1.2011 -0.0601197 -0.0237823 0.0108917 28 LEU C O +3517 C CB . LEU C 28 ? 1.22741 1.2364 1.34324 -0.00519897 -0.0261552 0.0189117 28 LEU C CB +3518 C CG . LEU C 28 ? 1.22352 1.2462 1.36245 0.0303613 -0.0163129 0.015892 28 LEU C CG +3519 C CD1 . LEU C 28 ? 1.2408 1.24786 1.35824 0.031994 -0.030703 0.00177823 28 LEU C CD1 +3520 C CD2 . LEU C 28 ? 1.29358 1.2831 1.41105 0.0569097 0.00489029 0.00311872 28 LEU C CD2 +3521 N N . PHE C 29 ? 1.22865 1.26833 1.35875 -0.0904484 -0.0326462 0.0591171 29 PHE C N +3522 C CA . PHE C 29 ? 1.33122 1.33637 1.41463 -0.139547 -0.043155 0.060018 29 PHE C CA +3523 C C . PHE C 29 ? 1.36129 1.31204 1.40631 -0.125826 -0.0152154 0.0460558 29 PHE C C +3524 O O . PHE C 29 ? 1.38438 1.36371 1.4719 -0.0995466 0.00680121 0.0552556 29 PHE C O +3525 C CB . PHE C 29 ? 1.36018 1.43893 1.49737 -0.187564 -0.063487 0.0968826 29 PHE C CB +3526 C CG . PHE C 29 ? 1.42664 1.52913 1.55982 -0.227887 -0.102281 0.109211 29 PHE C CG +3527 C CD1 . PHE C 29 ? 1.4276 1.44907 1.47307 -0.240841 -0.115259 0.082572 29 PHE C CD1 +3528 C CD2 . PHE C 29 ? 1.47895 1.68564 1.69564 -0.251145 -0.124277 0.151699 29 PHE C CD2 +3529 C CE1 . PHE C 29 ? 1.50051 1.53343 1.53085 -0.279749 -0.150538 0.0938654 29 PHE C CE1 +3530 C CE2 . PHE C 29 ? 1.48397 1.71376 1.69359 -0.290074 -0.163963 0.165807 29 PHE C CE2 +3531 C CZ . PHE C 29 ? 1.54773 1.68488 1.65851 -0.305998 -0.177733 0.134617 29 PHE C CZ +3532 N N . SER C 30 ? 1.33741 1.20152 1.29431 -0.140665 -0.0130162 0.0250563 30 SER C N +3533 C CA . SER C 30 ? 1.28083 1.08332 1.18883 -0.128356 0.0128442 0.0127523 30 SER C CA +3534 C C . SER C 30 ? 1.1681 0.972927 1.09367 -0.0707588 0.0323599 0.00195583 30 SER C C +3535 O O . SER C 30 ? 1.01373 0.826064 0.957507 -0.0552294 0.0518101 0.00730766 30 SER C O +3536 C CB . SER C 30 ? 1.30074 1.1243 1.22903 -0.162979 0.0192264 0.0323043 30 SER C CB +3537 O OG . SER C 30 ? 1.37351 1.16604 1.25349 -0.224757 0.00128557 0.0377225 30 SER C OG +3538 N N . ARG C 31 ? 1.21903 1.01411 1.13395 -0.0427247 0.0264879 -0.0119927 31 ARG C N +3539 C CA . ARG C 31 ? 1.194 0.988043 1.11551 0.00281008 0.0381541 -0.0215333 31 ARG C CA +3540 C C . ARG C 31 ? 1.16295 0.913286 1.03657 0.0225585 0.0369034 -0.0365445 31 ARG C C +3541 O O . ARG C 31 ? 1.14424 0.88186 0.999465 0.00844369 0.0264657 -0.0391265 31 ARG C O +3542 C CB . ARG C 31 ? 1.13023 0.983427 1.11366 0.0215634 0.0338324 -0.0146639 31 ARG C CB +3543 C CG . ARG C 31 ? 1.22038 1.1022 1.24268 0.0252971 0.0514438 0.00157469 31 ARG C CG +3544 C CD . ARG C 31 ? 1.17844 1.08215 1.23046 0.055802 0.0613294 0.00484704 31 ARG C CD +3545 N NE . ARG C 31 ? 1.22084 1.16273 1.32198 0.057732 0.0811139 0.0296894 31 ARG C NE +3546 C CZ . ARG C 31 ? 1.38187 1.30189 1.47455 0.075977 0.109674 0.0348346 31 ARG C CZ +3547 N NH1 . ARG C 31 ? 1.49898 1.35812 1.53183 0.0897412 0.117246 0.0157925 31 ARG C NH1 +3548 N NH2 . ARG C 31 ? 1.42902 1.38853 1.57286 0.0825914 0.132538 0.0626708 31 ARG C NH2 +3549 N N . GLU C 32 ? 1.17969 0.90909 1.03375 0.0548559 0.0482558 -0.042576 32 GLU C N +3550 C CA . GLU C 32 ? 1.19253 0.904373 1.02257 0.0811187 0.0473878 -0.0484216 32 GLU C CA +3551 C C . GLU C 32 ? 1.154 0.917434 1.03091 0.0957385 0.0333965 -0.0492595 32 GLU C C +3552 O O . GLU C 32 ? 1.241 1.02052 1.13309 0.10786 0.0336599 -0.048876 32 GLU C O +3553 C CB . GLU C 32 ? 1.24577 0.918388 1.03453 0.106035 0.0625835 -0.0480643 32 GLU C CB +3554 C CG . GLU C 32 ? 1.32066 0.945696 1.05889 0.122493 0.0743451 -0.0463499 32 GLU C CG +3555 C CD . GLU C 32 ? 1.51485 1.06836 1.18983 0.0994943 0.0914113 -0.0481527 32 GLU C CD +3556 O OE1 . GLU C 32 ? 1.55047 1.05168 1.17485 0.100638 0.103116 -0.047985 32 GLU C OE1 +3557 O OE2 . GLU C 32 ? 1.50467 1.04972 1.17631 0.0785514 0.0952607 -0.0486677 32 GLU C OE2 +3558 N N . PHE C 33 ? 1.12775 0.90734 1.01796 0.0919971 0.022835 -0.0506517 33 PHE C N +3559 C CA . PHE C 33 ? 1.03208 0.855334 0.962526 0.10008 0.0105785 -0.0516057 33 PHE C CA +3560 C C . PHE C 33 ? 1.11651 0.941861 1.04263 0.112029 0.0065899 -0.0523252 33 PHE C C +3561 O O . PHE C 33 ? 1.17927 0.969268 1.07085 0.114905 0.0161569 -0.0509656 33 PHE C O +3562 C CB . PHE C 33 ? 0.941775 0.797741 0.910465 0.0816102 0.00316454 -0.0476889 33 PHE C CB +3563 C CG . PHE C 33 ? 0.98983 0.843406 0.954539 0.0583494 -0.00575025 -0.045258 33 PHE C CG +3564 C CD1 . PHE C 33 ? 1.00326 0.856679 0.964303 0.0612698 -0.0130363 -0.04908 33 PHE C CD1 +3565 C CD2 . PHE C 33 ? 1.11664 0.965672 1.07646 0.0295614 -0.0078958 -0.0374666 33 PHE C CD2 +3566 C CE1 . PHE C 33 ? 1.06448 0.903064 1.00732 0.0379262 -0.0214995 -0.0472204 33 PHE C CE1 +3567 C CE2 . PHE C 33 ? 1.09994 0.939577 1.0431 0.00081014 -0.021111 -0.0342649 33 PHE C CE2 +3568 C CZ . PHE C 33 ? 1.10933 0.939753 1.04024 0.00597854 -0.0277239 -0.0400153 33 PHE C CZ +3569 N N . ARG C 34 ? 0.983166 0.844237 0.939621 0.118658 -0.00390425 -0.0528936 34 ARG C N +3570 C CA . ARG C 34 ? 0.937337 0.81286 0.902542 0.127486 -0.00744861 -0.0505417 34 ARG C CA +3571 C C . ARG C 34 ? 0.898854 0.802947 0.894611 0.116809 -0.0185295 -0.0542981 34 ARG C C +3572 O O . ARG C 34 ? 1.011 0.933854 1.02037 0.11731 -0.0254793 -0.0555031 34 ARG C O +3573 C CB . ARG C 34 ? 0.933945 0.82939 0.903947 0.147012 -0.00992752 -0.0418991 34 ARG C CB +3574 C CG . ARG C 34 ? 0.92792 0.844619 0.914048 0.157934 -0.0082693 -0.0328341 34 ARG C CG +3575 C CD . ARG C 34 ? 0.938527 0.903631 0.953672 0.160758 -0.0235401 -0.023283 34 ARG C CD +3576 N NE . ARG C 34 ? 0.981212 0.971363 1.01128 0.183143 -0.0151642 -0.00232688 34 ARG C NE +3577 C CZ . ARG C 34 ? 1.09315 1.12218 1.15638 0.183181 -0.0180183 0.0075701 34 ARG C CZ +3578 N NH1 . ARG C 34 ? 1.04344 1.07852 1.11865 0.161466 -0.0277663 -0.00552246 34 ARG C NH1 +3579 N NH2 . ARG C 34 ? 1.37739 1.43932 1.46281 0.207622 -0.00739472 0.0338798 34 ARG C NH2 +3580 N N . ALA C 35 ? 0.894109 0.792724 0.890549 0.105907 -0.0195929 -0.055559 35 ALA C N +3581 C CA . ALA C 35 ? 0.950043 0.870933 0.970857 0.0986868 -0.0279701 -0.0571323 35 ALA C CA +3582 C C . ALA C 35 ? 1.03618 0.966175 1.06211 0.106566 -0.0278196 -0.0563847 35 ALA C C +3583 O O . ALA C 35 ? 1.13663 1.05215 1.14662 0.117196 -0.0182336 -0.0518682 35 ALA C O +3584 C CB . ALA C 35 ? 0.945092 0.859857 0.964154 0.0809812 -0.0324515 -0.0546843 35 ALA C CB +3585 N N . SER C 36 ? 0.954274 0.90493 1.00025 0.102761 -0.0343023 -0.0583574 36 SER C N +3586 C CA . SER C 36 ? 0.954708 0.9207 1.01147 0.106271 -0.0341387 -0.0556415 36 SER C CA +3587 C C . SER C 36 ? 0.988547 0.955178 1.05219 0.096919 -0.0373195 -0.0596434 36 SER C C +3588 O O . SER C 36 ? 1.34891 1.31366 1.41496 0.091616 -0.0403293 -0.0623189 36 SER C O +3589 C CB . SER C 36 ? 1.04704 1.04024 1.11664 0.107139 -0.0411792 -0.0511071 36 SER C CB +3590 O OG . SER C 36 ? 1.26617 1.26305 1.33033 0.118815 -0.0395392 -0.0435847 36 SER C OG +3591 N N . LEU C 37 ? 1.05708 1.0253 1.1232 0.0986948 -0.0326589 -0.0570995 37 LEU C N +3592 C CA . LEU C 37 ? 1.03928 1.00761 1.10989 0.0912095 -0.034024 -0.059914 37 LEU C CA +3593 C C . LEU C 37 ? 1.07972 1.07319 1.16798 0.0892844 -0.0328084 -0.0551081 37 LEU C C +3594 O O . LEU C 37 ? 0.986892 0.994646 1.08539 0.0996815 -0.0246549 -0.0448215 37 LEU C O +3595 C CB . LEU C 37 ? 0.998179 0.940033 1.04926 0.0907833 -0.0292572 -0.0595195 37 LEU C CB +3596 C CG . LEU C 37 ? 0.965903 0.900582 1.01436 0.0838177 -0.0327741 -0.0613823 37 LEU C CG +3597 C CD1 . LEU C 37 ? 1.01055 0.952722 1.06686 0.0808251 -0.0413457 -0.0599795 37 LEU C CD1 +3598 C CD2 . LEU C 37 ? 0.935946 0.83817 0.954783 0.0813197 -0.0289264 -0.0598617 37 LEU C CD2 +3599 N N . HIS C 38 ? 1.08426 1.0811 1.17348 0.0757339 -0.0386828 -0.0593395 38 HIS C N +3600 C CA . HIS C 38 ? 1.01811 1.04029 1.12193 0.0631261 -0.0416728 -0.0534194 38 HIS C CA +3601 C C . HIS C 38 ? 0.954713 0.958791 1.04929 0.0530237 -0.0361856 -0.0583426 38 HIS C C +3602 O O . HIS C 38 ? 0.929263 0.901032 1.00159 0.0528678 -0.0339478 -0.0666965 38 HIS C O +3603 C CB . HIS C 38 ? 1.09807 1.13058 1.19519 0.0464968 -0.0559402 -0.0531307 38 HIS C CB +3604 C CG . HIS C 38 ? 1.09604 1.1467 1.20022 0.0569773 -0.0618199 -0.0462648 38 HIS C CG +3605 N ND1 . HIS C 38 ? 1.19258 1.21361 1.27406 0.0636215 -0.0607112 -0.0551215 38 HIS C ND1 +3606 C CD2 . HIS C 38 ? 1.05745 1.14848 1.18657 0.0654087 -0.0654949 -0.0297992 38 HIS C CD2 +3607 C CE1 . HIS C 38 ? 1.31853 1.35486 1.4046 0.0726318 -0.0647746 -0.0478121 38 HIS C CE1 +3608 N NE2 . HIS C 38 ? 1.30533 1.38382 1.41962 0.0758093 -0.0676937 -0.0317644 38 HIS C NE2 +3609 N N . LYS C 39 ? 0.978451 1.0055 1.0924 0.047256 -0.0311987 -0.0494857 39 LYS C N +3610 C CA . LYS C 39 ? 1.03031 1.0372 1.13344 0.0381886 -0.0229238 -0.0532422 39 LYS C CA +3611 C C . LYS C 39 ? 0.975025 0.998227 1.08058 0.00852324 -0.0311257 -0.050194 39 LYS C C +3612 O O . LYS C 39 ? 0.923234 0.995266 1.05884 -0.00170352 -0.0407506 -0.0361357 39 LYS C O +3613 C CB . LYS C 39 ? 1.02763 1.03841 1.14355 0.0521837 -0.00601272 -0.0444259 39 LYS C CB +3614 C CG . LYS C 39 ? 1.07875 1.06772 1.18266 0.0434421 0.00513274 -0.0466245 39 LYS C CG +3615 C CD . LYS C 39 ? 1.05004 1.04952 1.17076 0.055986 0.0260804 -0.0327554 39 LYS C CD +3616 C CE . LYS C 39 ? 1.21057 1.2313 1.35111 0.0382074 0.0347953 -0.0237188 39 LYS C CE +3617 N NZ . LYS C 39 ? 1.38111 1.35028 1.48565 0.0366401 0.0469111 -0.0334002 39 LYS C NZ +3618 N N . GLY C 40 ? 1.00736 0.987685 1.07748 -0.00627541 -0.0273714 -0.0607659 40 GLY C N +3619 C CA . GLY C 40 ? 1.11343 1.09146 1.1687 -0.0423887 -0.0335031 -0.0597163 40 GLY C CA +3620 C C . GLY C 40 ? 1.16554 1.09656 1.16764 -0.0600414 -0.041306 -0.0707034 40 GLY C C +3621 O O . GLY C 40 ? 1.18519 1.11267 1.18157 -0.0468978 -0.0468636 -0.0733467 40 GLY C O +3622 N N . LEU C 41 ? 1.28608 1.17354 1.24188 -0.0918733 -0.0388728 -0.0762327 41 LEU C N +3623 C CA . LEU C 41 ? 1.50766 1.32516 1.39002 -0.111188 -0.0388292 -0.0869391 41 LEU C CA +3624 C C . LEU C 41 ? 1.5914 1.43637 1.47263 -0.135317 -0.0642544 -0.08146 41 LEU C C +3625 O O . LEU C 41 ? 1.63766 1.43686 1.4737 -0.130288 -0.0628115 -0.0888018 41 LEU C O +3626 C CB . LEU C 41 ? 1.55267 1.30614 1.37284 -0.145473 -0.0288435 -0.0934017 41 LEU C CB +3627 C CG . LEU C 41 ? 1.56029 1.25991 1.35608 -0.11798 0.0003376 -0.0996922 41 LEU C CG +3628 C CD1 . LEU C 41 ? 1.4876 1.128 1.2252 -0.154417 0.0113472 -0.1044 41 LEU C CD1 +3629 C CD2 . LEU C 41 ? 1.66326 1.30626 1.42059 -0.0822192 0.0189207 -0.104471 41 LEU C CD2 +3630 N N . ASP C 42 ? 1.70994 1.63326 1.64432 -0.158101 -0.0855988 -0.0647165 42 ASP C N +3631 C CA . ASP C 42 ? 1.67232 1.64096 1.61779 -0.182232 -0.115037 -0.0518739 42 ASP C CA +3632 C C . ASP C 42 ? 1.65388 1.67317 1.6522 -0.139614 -0.116549 -0.0442799 42 ASP C C +3633 O O . ASP C 42 ? 1.96264 2.0349 1.98499 -0.151216 -0.139821 -0.0280379 42 ASP C O +3634 C CB . ASP C 42 ? 1.56377 1.60654 1.55215 -0.224321 -0.136926 -0.0288957 42 ASP C CB +3635 C CG . ASP C 42 ? 1.38765 1.50621 1.46265 -0.198561 -0.122949 -0.0113138 42 ASP C CG +3636 O OD1 . ASP C 42 ? 1.3837 1.48449 1.47257 -0.152731 -0.0976311 -0.020732 42 ASP C OD1 +3637 O OD2 . ASP C 42 ? 1.23449 1.42744 1.35985 -0.226098 -0.136194 0.0140668 42 ASP C OD2 +3638 N N . SER C 43 ? 1.61534 1.61881 1.6288 -0.0942366 -0.093511 -0.0533134 43 SER C N +3639 C CA . SER C 43 ? 1.4495 1.48418 1.50078 -0.0555987 -0.0900777 -0.0487373 43 SER C CA +3640 C C . SER C 43 ? 1.41671 1.53381 1.52893 -0.050903 -0.102014 -0.0244403 43 SER C C +3641 O O . SER C 43 ? 1.31081 1.44566 1.43489 -0.0310126 -0.106155 -0.0186521 43 SER C O +3642 C CB . SER C 43 ? 1.30411 1.29646 1.31524 -0.047137 -0.0912403 -0.059185 43 SER C CB +3643 O OG . SER C 43 ? 1.55384 1.48421 1.52929 -0.0326475 -0.0707809 -0.0738068 43 SER C OG +3644 N N . ALA C 44 ? 1.43162 1.59881 1.58388 -0.0654219 -0.103306 -0.00717016 44 ALA C N +3645 C CA . ALA C 44 ? 1.41076 1.6658 1.62884 -0.0582785 -0.110486 0.0248449 44 ALA C CA +3646 C C . ALA C 44 ? 1.26249 1.52629 1.51007 -0.0068229 -0.0854854 0.0311655 44 ALA C C +3647 O O . ALA C 44 ? 1.2991 1.58269 1.55743 0.0136659 -0.0890372 0.0413261 44 ALA C O +3648 C CB . ALA C 44 ? 1.49839 1.80675 1.75595 -0.0862517 -0.113349 0.0455521 44 ALA C CB +3649 N N . VAL C 45 ? 1.16082 1.39755 1.40872 0.011839 -0.0595694 0.0241894 45 VAL C N +3650 C CA . VAL C 45 ? 0.974735 1.205 1.23499 0.0538725 -0.032771 0.0314276 45 VAL C CA +3651 C C . VAL C 45 ? 0.899248 1.07289 1.11692 0.0712785 -0.0313148 0.0103513 45 VAL C C +3652 O O . VAL C 45 ? 0.862416 0.987725 1.04315 0.0603315 -0.0361549 -0.0127624 45 VAL C O +3653 C CB . VAL C 45 ? 1.00813 1.21063 1.26377 0.0621332 -0.00745825 0.0281698 45 VAL C CB +3654 C CG1 . VAL C 45 ? 1.21211 1.38258 1.45506 0.101483 0.0212997 0.0324732 45 VAL C CG1 +3655 C CG2 . VAL C 45 ? 1.00139 1.25756 1.30062 0.0437821 -0.00388991 0.0496967 45 VAL C CG2 +3656 N N . GLU C 46 ? 0.980064 1.15978 1.20373 0.0996862 -0.0210513 0.0219002 46 GLU C N +3657 C CA . GLU C 46 ? 1.0493 1.17601 1.2331 0.113638 -0.0170494 0.00516687 46 GLU C CA +3658 C C . GLU C 46 ? 0.875136 0.955261 1.03418 0.134254 0.00978861 0.00330389 46 GLU C C +3659 O O . GLU C 46 ? 0.95973 1.04374 1.12535 0.159221 0.0324668 0.0221077 46 GLU C O +3660 C CB . GLU C 46 ? 1.17472 1.32119 1.36383 0.127076 -0.0226613 0.0166691 46 GLU C CB +3661 C CG . GLU C 46 ? 1.25633 1.34774 1.40332 0.135968 -0.0186132 -0.00027556 46 GLU C CG +3662 C CD . GLU C 46 ? 1.34682 1.4497 1.49063 0.141712 -0.0286395 0.00530296 46 GLU C CD +3663 O OE1 . GLU C 46 ? 1.25398 1.38887 1.41798 0.163108 -0.0207175 0.0294777 46 GLU C OE1 +3664 O OE2 . GLU C 46 ? 1.33012 1.40902 1.45104 0.127587 -0.0412965 -0.0117073 46 GLU C OE2 +3665 N N . VAL C 47 ? 0.855846 0.888163 0.981117 0.123786 0.0081136 -0.0166483 47 VAL C N +3666 C CA . VAL C 47 ? 1.0392 1.01787 1.12709 0.133523 0.0276658 -0.0197886 47 VAL C CA +3667 C C . VAL C 47 ? 1.0863 1.01926 1.13323 0.146895 0.0382583 -0.0204141 47 VAL C C +3668 O O . VAL C 47 ? 0.913488 0.802071 0.925722 0.163389 0.0644671 -0.0127369 47 VAL C O +3669 C CB . VAL C 47 ? 1.1127 1.06351 1.17921 0.114233 0.014935 -0.0370393 47 VAL C CB +3670 C CG1 . VAL C 47 ? 1.11453 1.00363 1.12985 0.115624 0.0253692 -0.0415587 47 VAL C CG1 +3671 C CG2 . VAL C 47 ? 1.15115 1.12692 1.24159 0.101864 0.0118504 -0.0368893 47 VAL C CG2 +3672 N N . CYS C 48 ? 1.12247 1.0541 1.16287 0.138062 0.0210977 -0.0299459 48 CYS C N +3673 C CA . CYS C 48 ? 1.12396 1.00401 1.11722 0.140623 0.02791 -0.033703 48 CYS C CA +3674 C C . CYS C 48 ? 1.11375 1.01283 1.11814 0.138909 0.0151683 -0.0360935 48 CYS C C +3675 O O . CYS C 48 ? 1.05489 0.99124 1.08984 0.128512 -0.00328554 -0.041012 48 CYS C O +3676 C CB . CYS C 48 ? 1.15816 0.992325 1.11029 0.118979 0.0186295 -0.0458268 48 CYS C CB +3677 S SG . CYS C 48 ? 1.4185 1.16703 1.28886 0.113305 0.03211 -0.0473512 48 CYS C SG +3678 N N . VAL C 49 ? 1.24265 1.10483 1.21216 0.150193 0.0293187 -0.0320736 49 VAL C N +3679 C CA . VAL C 49 ? 1.13839 1.01106 1.11189 0.151759 0.0220375 -0.0326719 49 VAL C CA +3680 C C . VAL C 49 ? 1.07271 0.881862 0.98919 0.141831 0.0291297 -0.0392235 49 VAL C C +3681 O O . VAL C 49 ? 1.13541 0.891578 1.00472 0.155862 0.0534068 -0.0328143 49 VAL C O +3682 C CB . VAL C 49 ? 1.08287 0.985825 1.0772 0.179187 0.032665 -0.0144092 49 VAL C CB +3683 C CG1 . VAL C 49 ? 1.13808 1.04423 1.12819 0.178148 0.0230276 -0.0170591 49 VAL C CG1 +3684 C CG2 . VAL C 49 ? 0.979253 0.949414 1.02919 0.182867 0.0242771 -0.00197663 49 VAL C CG2 +3685 N N . VAL C 50 ? 1.04032 0.853211 0.959333 0.1176 0.0107211 -0.0489484 50 VAL C N +3686 C CA . VAL C 50 ? 1.20071 0.962461 1.07077 0.0972764 0.0117199 -0.0530013 50 VAL C CA +3687 C C . VAL C 50 ? 1.1446 0.914461 1.02083 0.101428 0.0123317 -0.0524626 50 VAL C C +3688 O O . VAL C 50 ? 1.13851 0.95025 1.0542 0.094253 -0.00189917 -0.0543686 50 VAL C O +3689 C CB . VAL C 50 ? 1.26974 1.03867 1.1439 0.0647332 -0.00965921 -0.0566709 50 VAL C CB +3690 C CG1 . VAL C 50 ? 1.47115 1.20972 1.31086 0.0343926 -0.016865 -0.0562458 50 VAL C CG1 +3691 C CG2 . VAL C 50 ? 1.36929 1.10869 1.2148 0.0588177 -0.00814064 -0.057281 50 VAL C CG2 +3692 N N . TYR C 51 ? 1.22449 0.946168 1.05499 0.115056 0.0327881 -0.0486241 51 TYR C N +3693 C CA . TYR C 51 ? 1.12513 0.841146 0.94871 0.118718 0.0363523 -0.0479676 51 TYR C CA +3694 C C . TYR C 51 ? 1.13141 0.80217 0.912556 0.0845279 0.0342644 -0.0533741 51 TYR C C +3695 O O . TYR C 51 ? 1.12641 0.731912 0.844696 0.0678161 0.0431377 -0.0550268 51 TYR C O +3696 C CB . TYR C 51 ? 1.10073 0.781353 0.88949 0.151741 0.0621286 -0.0376811 51 TYR C CB +3697 C CG . TYR C 51 ? 1.07601 0.814869 0.913202 0.18496 0.0617277 -0.0240414 51 TYR C CG +3698 C CD1 . TYR C 51 ? 1.11871 0.900598 0.987451 0.192186 0.0486342 -0.0206913 51 TYR C CD1 +3699 C CD2 . TYR C 51 ? 1.10472 0.853403 0.951823 0.206558 0.074761 -0.0115073 51 TYR C CD2 +3700 C CE1 . TYR C 51 ? 1.21642 1.05365 1.12451 0.214603 0.0423231 -0.00449244 51 TYR C CE1 +3701 C CE2 . TYR C 51 ? 1.22929 1.0424 1.12714 0.232288 0.0719045 0.00728758 51 TYR C CE2 +3702 C CZ . TYR C 51 ? 1.20503 1.0653 1.13366 0.233413 0.0522543 0.0111973 51 TYR C CZ +3703 O OH . TYR C 51 ? 1.0179 0.94576 0.994166 0.25117 0.0436452 0.0334936 51 TYR C OH +3704 N N . GLY C 52 ? 1.10901 0.809707 0.918872 0.0723806 0.0242667 -0.0541516 52 GLY C N +3705 C CA . GLY C 52 ? 1.18728 0.862413 0.971564 0.0359046 0.0201914 -0.0541252 52 GLY C CA +3706 C C . GLY C 52 ? 1.20805 0.842477 0.955489 0.0406252 0.0376429 -0.0539023 52 GLY C C +3707 O O . GLY C 52 ? 1.32368 0.978994 1.09284 0.069173 0.0441062 -0.0526603 52 GLY C O +3708 N N . ASN C 53 ? 1.30248 0.875259 0.988421 0.00752788 0.0430876 -0.0545534 53 ASN C N +3709 C CA . ASN C 53 ? 1.42189 0.938001 1.05579 0.00398667 0.0623086 -0.0548128 53 ASN C CA +3710 C C . ASN C 53 ? 1.46029 1.00915 1.12494 -0.0327604 0.0508203 -0.049629 53 ASN C C +3711 O O . ASN C 53 ? 1.57908 1.18584 1.29455 -0.0612506 0.0279599 -0.0425641 53 ASN C O +3712 C CB . ASN C 53 ? 1.594 1.00213 1.12152 -0.0176623 0.0794832 -0.0581166 53 ASN C CB +3713 C CG . ASN C 53 ? 1.71209 1.04809 1.17637 0.0250845 0.114932 -0.0572148 53 ASN C CG +3714 O OD1 . ASN C 53 ? 2.08641 1.45703 1.58681 0.0638733 0.122503 -0.0527638 53 ASN C OD1 +3715 N ND2 . ASN C 53 ? 1.68189 0.913607 1.04646 0.018543 0.137769 -0.0588003 53 ASN C ND2 +3716 N N . TYR C 54 ? 1.46218 0.972072 1.09368 -0.0309063 0.0693281 -0.0496128 54 TYR C N +3717 C CA . TYR C 54 ? 1.53848 1.07299 1.19453 -0.0654752 0.0652857 -0.0416158 54 TYR C CA +3718 C C . TYR C 54 ? 1.64592 1.15113 1.26206 -0.127815 0.0509815 -0.0368546 54 TYR C C +3719 O O . TYR C 54 ? 1.79454 1.36285 1.46525 -0.165504 0.0318637 -0.0222404 54 TYR C O +3720 C CB . TYR C 54 ? 1.53041 1.02022 1.15089 -0.0509829 0.0906638 -0.0429615 54 TYR C CB +3721 C CG . TYR C 54 ? 1.57231 1.10726 1.24033 -0.078711 0.0894739 -0.0312261 54 TYR C CG +3722 C CD1 . TYR C 54 ? 1.49746 1.11024 1.24766 -0.0559732 0.0870467 -0.0234868 54 TYR C CD1 +3723 C CD2 . TYR C 54 ? 1.6525 1.14925 1.28033 -0.129162 0.0934265 -0.0252532 54 TYR C CD2 +3724 C CE1 . TYR C 54 ? 1.57287 1.22616 1.36869 -0.0744276 0.093841 -0.00796777 54 TYR C CE1 +3725 C CE2 . TYR C 54 ? 1.57819 1.12665 1.25983 -0.153825 0.0949644 -0.00899213 54 TYR C CE2 +3726 C CZ . TYR C 54 ? 1.59266 1.22177 1.36199 -0.122675 0.0974337 0.00094889 54 TYR C CZ +3727 O OH . TYR C 54 ? 1.53553 1.21651 1.36193 -0.138768 0.10661 0.0214974 54 TYR C OH +3728 N N . SER C 55 ? 1.64737 1.05442 1.16403 -0.139417 0.0609713 -0.0459553 55 SER C N +3729 C CA . SER C 55 ? 1.72702 1.08324 1.17918 -0.205421 0.0462699 -0.043222 55 SER C CA +3730 C C . SER C 55 ? 1.78993 1.17785 1.26088 -0.21894 0.0191658 -0.0413875 55 SER C C +3731 O O . SER C 55 ? 2.01999 1.33136 1.4037 -0.259435 0.0124005 -0.0445439 55 SER C O +3732 C CB . SER C 55 ? 1.86094 1.07435 1.17679 -0.2139 0.0762152 -0.0536864 55 SER C CB +3733 O OG . SER C 55 ? 1.95486 1.12372 1.24076 -0.147735 0.106397 -0.0615718 55 SER C OG +3734 N N . GLN C 56 ? 1.76324 1.25599 1.33988 -0.186591 0.00509506 -0.0360331 56 GLN C N +3735 C CA . GLN C 56 ? 1.70922 1.25601 1.32791 -0.195663 -0.0222894 -0.030499 56 GLN C CA +3736 C C . GLN C 56 ? 1.70257 1.16439 1.23633 -0.190227 -0.0152028 -0.0429525 56 GLN C C +3737 O O . GLN C 56 ? 1.68872 1.15497 1.21203 -0.22065 -0.0391883 -0.0387965 56 GLN C O +3738 C CB . GLN C 56 ? 1.72608 1.3266 1.37566 -0.258693 -0.0567479 -0.0101606 56 GLN C CB +3739 C CG . GLN C 56 ? 1.68827 1.38933 1.43962 -0.258074 -0.0599441 0.00977585 56 GLN C CG +3740 C CD . GLN C 56 ? 1.63345 1.39504 1.4193 -0.322731 -0.0927439 0.0380929 56 GLN C CD +3741 O OE1 . GLN C 56 ? 1.62429 1.36573 1.36689 -0.368534 -0.121287 0.0430119 56 GLN C OE1 +3742 N NE2 . GLN C 56 ? 1.70535 1.54522 1.57121 -0.326692 -0.0890046 0.0604347 56 GLN C NE2 +3743 N N . GLN C 57 ? 1.77069 1.16078 1.24909 -0.146903 0.0192787 -0.0545408 57 GLN C N +3744 C CA . GLN C 57 ? 1.87332 1.18373 1.27663 -0.130181 0.0362432 -0.0619307 57 GLN C CA +3745 C C . GLN C 57 ? 1.78399 1.16646 1.26664 -0.0760148 0.0380657 -0.0618083 57 GLN C C +3746 O O . GLN C 57 ? 1.72829 1.19121 1.2955 -0.0449368 0.0355895 -0.0592634 57 GLN C O +3747 C CB . GLN C 57 ? 1.95535 1.14295 1.24856 -0.115138 0.0773695 -0.0672831 57 GLN C CB +3748 C CG . GLN C 57 ? 2.26045 1.3113 1.41296 -0.155521 0.0884957 -0.0722686 57 GLN C CG +3749 C CD . GLN C 57 ? 2.43 1.45575 1.53779 -0.236981 0.0597007 -0.07067 57 GLN C CD +3750 O OE1 . GLN C 57 ? 2.3662 1.37222 1.45531 -0.256689 0.0663926 -0.0696578 57 GLN C OE1 +3751 N NE2 . GLN C 57 ? 2.53967 1.56492 1.62647 -0.288057 0.026509 -0.0680293 57 GLN C NE2 +3752 N N . LEU C 58 ? 1.69285 1.03917 1.14035 -0.067526 0.0434673 -0.0641476 58 LEU C N +3753 C CA . LEU C 58 ? 1.61 1.02547 1.13163 -0.0247099 0.043235 -0.0625592 58 LEU C CA +3754 C C . LEU C 58 ? 1.64791 1.00138 1.12058 0.0203802 0.0815108 -0.0607093 58 LEU C C +3755 O O . LEU C 58 ? 1.92192 1.16883 1.29243 0.011451 0.103703 -0.062161 58 LEU C O +3756 C CB . LEU C 58 ? 1.619 1.07749 1.17225 -0.0521728 0.0122351 -0.0615167 58 LEU C CB +3757 C CG . LEU C 58 ? 1.56416 1.12511 1.2088 -0.0736268 -0.0220053 -0.0544676 58 LEU C CG +3758 C CD1 . LEU C 58 ? 1.55693 1.16055 1.23413 -0.0863747 -0.0470101 -0.0498932 58 LEU C CD1 +3759 C CD2 . LEU C 58 ? 1.42208 1.05848 1.15076 -0.0365753 -0.0166126 -0.0532085 58 LEU C CD2 +3760 N N . GLN C 59 ? 1.54856 0.971257 1.09504 0.0676179 0.0890724 -0.0543968 59 GLN C N +3761 C CA . GLN C 59 ? 1.58768 0.987213 1.12028 0.114517 0.122282 -0.0440431 59 GLN C CA +3762 C C . GLN C 59 ? 1.47976 0.961742 1.09189 0.126462 0.106656 -0.0414746 59 GLN C C +3763 O O . GLN C 59 ? 1.45092 1.02012 1.14502 0.145302 0.0941647 -0.0366974 59 GLN C O +3764 C CB . GLN C 59 ? 1.66752 1.09016 1.22462 0.155414 0.140197 -0.0325562 59 GLN C CB +3765 C CG . GLN C 59 ? 1.86494 1.2037 1.34925 0.196266 0.189071 -0.0173312 59 GLN C CG +3766 C CD . GLN C 59 ? 2.03664 1.39123 1.53415 0.228758 0.201647 -0.00515585 59 GLN C CD +3767 O OE1 . GLN C 59 ? 2.143 1.58931 1.72049 0.232645 0.175128 -0.00386873 59 GLN C OE1 +3768 N NE2 . GLN C 59 ? 2.20858 1.46472 1.61817 0.25395 0.24475 0.00525116 59 GLN C NE2 +3769 N N . VAL C 60 ? 1.51797 0.964508 1.09717 0.113471 0.108132 -0.0444221 60 VAL C N +3770 C CA . VAL C 60 ? 1.41823 0.93244 1.06333 0.120205 0.0945726 -0.0430735 60 VAL C CA +3771 C C . VAL C 60 ? 1.31727 0.832613 0.97272 0.166502 0.129469 -0.0266775 60 VAL C C +3772 O O . VAL C 60 ? 1.56658 0.998726 1.14963 0.186688 0.167797 -0.0180534 60 VAL C O +3773 C CB . VAL C 60 ? 1.45938 0.941198 1.06721 0.079763 0.0742135 -0.0526574 60 VAL C CB +3774 C CG1 . VAL C 60 ? 1.45745 0.994849 1.12072 0.0867952 0.0639257 -0.0516659 60 VAL C CG1 +3775 C CG2 . VAL C 60 ? 1.44593 0.952125 1.06492 0.0358022 0.0378892 -0.0594213 60 VAL C CG2 +3776 N N . TYR C 61 ? 1.29408 0.903916 1.03919 0.183464 0.11854 -0.0190549 61 TYR C N +3777 C CA . TYR C 61 ? 1.30683 0.944451 1.08399 0.223192 0.146537 0.0027553 61 TYR C CA +3778 C C . TYR C 61 ? 1.34316 1.03688 1.17446 0.213382 0.130906 0.00078051 61 TYR C C +3779 O O . TYR C 61 ? 1.26841 1.01775 1.14604 0.188863 0.0955909 -0.0116946 61 TYR C O +3780 C CB . TYR C 61 ? 1.15933 0.872534 1.00081 0.250706 0.145052 0.0210185 61 TYR C CB +3781 C CG . TYR C 61 ? 1.21313 0.874191 1.00473 0.270043 0.166441 0.028212 61 TYR C CG +3782 C CD1 . TYR C 61 ? 1.42952 1.04448 1.18449 0.313857 0.2136 0.0532761 61 TYR C CD1 +3783 C CD2 . TYR C 61 ? 1.3212 0.972647 1.09776 0.24719 0.144818 0.0123154 61 TYR C CD2 +3784 C CE1 . TYR C 61 ? 1.58264 1.13718 1.28093 0.334272 0.238051 0.0607556 61 TYR C CE1 +3785 C CE2 . TYR C 61 ? 1.40509 0.999492 1.12789 0.263086 0.166631 0.0179907 61 TYR C CE2 +3786 C CZ . TYR C 61 ? 1.50615 1.04992 1.18731 0.306852 0.212818 0.0415983 61 TYR C CZ +3787 O OH . TYR C 61 ? 1.67844 1.15962 1.30076 0.324125 0.236408 0.0476433 61 TYR C OH +3788 N N . SER C 62 ? 1.38405 1.05487 1.20291 0.233809 0.161473 0.0140416 62 SER C N +3789 C CA . SER C 62 ? 1.43176 1.14662 1.29485 0.225904 0.152817 0.0138784 62 SER C CA +3790 C C . SER C 62 ? 1.57425 1.35962 1.506 0.259492 0.174568 0.0439203 62 SER C C +3791 O O . SER C 62 ? 1.83284 1.57815 1.73639 0.294585 0.219063 0.0657923 62 SER C O +3792 C CB . SER C 62 ? 1.50099 1.1281 1.28962 0.218463 0.171849 0.00689096 62 SER C CB +3793 O OG . SER C 62 ? 1.49424 1.0418 1.20209 0.187086 0.157401 -0.0129983 62 SER C OG +3794 N N . LYS C 63 ? 1.49281 1.37731 1.5083 0.248273 0.146314 0.0483426 63 LYS C N +3795 C CA . LYS C 63 ? 1.76645 1.73315 1.85133 0.274872 0.155941 0.0821744 63 LYS C CA +3796 C C . LYS C 63 ? 1.77027 1.79055 1.90929 0.281954 0.170854 0.104614 63 LYS C C +3797 O O . LYS C 63 ? 1.65689 1.7305 1.84403 0.314286 0.196159 0.14329 63 LYS C O +3798 C CB . LYS C 63 ? 1.67037 1.71548 1.80865 0.258419 0.11615 0.0823773 63 LYS C CB +3799 C CG . LYS C 63 ? 1.64821 1.6574 1.74763 0.251484 0.100393 0.0642229 63 LYS C CG +3800 C CD . LYS C 63 ? 1.60436 1.68273 1.74872 0.259394 0.083112 0.083299 63 LYS C CD +3801 C CE . LYS C 63 ? 1.50887 1.61918 1.67958 0.303432 0.114158 0.124889 63 LYS C CE +3802 N NZ . LYS C 63 ? 1.61184 1.78026 1.81395 0.30756 0.091655 0.141355 63 LYS C NZ +3803 N N . THR C 64 ? 1.58823 1.60071 1.72417 0.251825 0.154816 0.083693 64 THR C N +3804 C CA . THR C 64 ? 1.59056 1.6708 1.78891 0.244374 0.155551 0.100679 64 THR C CA +3805 C C . THR C 64 ? 1.45702 1.47185 1.61322 0.249667 0.186428 0.0957428 64 THR C C +3806 O O . THR C 64 ? 1.52417 1.56248 1.70409 0.228775 0.17841 0.0916126 64 THR C O +3807 C CB . THR C 64 ? 1.64457 1.7772 1.87683 0.201277 0.108165 0.0827849 64 THR C CB +3808 O OG1 . THR C 64 ? 1.87787 1.94391 2.05258 0.180357 0.0896224 0.0462188 64 THR C OG1 +3809 C CG2 . THR C 64 ? 1.44185 1.64693 1.71922 0.194468 0.0800628 0.0956661 64 THR C CG2 +3810 N N . GLY C 65 ? 1.42496 1.34717 1.5079 0.276035 0.223496 0.0962189 65 GLY C N +3811 C CA . GLY C 65 ? 1.51784 1.35693 1.53906 0.279867 0.253993 0.0902064 65 GLY C CA +3812 C C . GLY C 65 ? 1.38594 1.16711 1.34971 0.24096 0.220526 0.0518022 65 GLY C C +3813 O O . GLY C 65 ? 1.23727 1.00321 1.19203 0.227223 0.220612 0.0442695 65 GLY C O +3814 N N . PHE C 66 ? 1.36914 1.1281 1.30207 0.224087 0.191247 0.0315939 66 PHE C N +3815 C CA . PHE C 66 ? 1.26243 0.967094 1.13882 0.191648 0.162027 0.00336573 66 PHE C CA +3816 C C . PHE C 66 ? 1.31028 0.91368 1.09007 0.190871 0.173843 -0.00383158 66 PHE C C +3817 O O . PHE C 66 ? 1.31721 0.903396 1.08196 0.210782 0.192961 0.00598064 66 PHE C O +3818 C CB . PHE C 66 ? 1.19412 0.96589 1.12163 0.167982 0.117112 -0.0100941 66 PHE C CB +3819 C CG . PHE C 66 ? 1.23415 1.07089 1.2217 0.154579 0.100417 -0.0113413 66 PHE C CG +3820 C CD1 . PHE C 66 ? 1.27018 1.08297 1.23586 0.134855 0.0860833 -0.0255233 66 PHE C CD1 +3821 C CD2 . PHE C 66 ? 1.08672 1.0041 1.14575 0.159297 0.098505 0.00383758 66 PHE C CD2 +3822 C CE1 . PHE C 66 ? 1.10428 0.962638 1.11258 0.122468 0.0749198 -0.0271988 66 PHE C CE1 +3823 C CE2 . PHE C 66 ? 0.914297 0.877202 1.01302 0.139754 0.0835474 0.00181278 66 PHE C CE2 +3824 C CZ . PHE C 66 ? 0.973604 0.901291 1.04351 0.122864 0.0748741 -0.0147746 66 PHE C CZ +3825 N N . ASN C 67 ? 1.39133 0.925218 1.1004 0.16409 0.159983 -0.0199293 67 ASN C N +3826 C CA . ASN C 67 ? 1.50376 0.935332 1.10882 0.147475 0.161496 -0.0286159 67 ASN C CA +3827 C C . ASN C 67 ? 1.43242 0.90398 1.0589 0.113465 0.112099 -0.0422882 67 ASN C C +3828 O O . ASN C 67 ? 1.45462 0.935609 1.07933 0.0852847 0.0797074 -0.0505593 67 ASN C O +3829 C CB . ASN C 67 ? 1.76417 1.09693 1.27685 0.137936 0.177974 -0.0316074 67 ASN C CB +3830 C CG . ASN C 67 ? 2.24281 1.44765 1.62313 0.112888 0.180933 -0.0395843 67 ASN C CG +3831 O OD1 . ASN C 67 ? 2.23554 1.42603 1.59173 0.09509 0.164759 -0.0449437 67 ASN C OD1 +3832 N ND2 . ASN C 67 ? 2.62297 1.72683 1.90837 0.107302 0.201606 -0.0402731 67 ASN C ND2 +3833 N N . CYS C 68 ? 1.47518 0.974799 1.1262 0.118846 0.108154 -0.0410794 68 CYS C N +3834 C CA . CYS C 68 ? 1.3721 0.916188 1.05264 0.0913733 0.0678115 -0.0501177 68 CYS C CA +3835 C C . CYS C 68 ? 1.35129 0.823061 0.953727 0.0690314 0.0652166 -0.0543384 68 CYS C C +3836 O O . CYS C 68 ? 1.45505 0.857816 0.99821 0.0859529 0.0989764 -0.0499905 68 CYS C O +3837 C CB . CYS C 68 ? 1.35899 0.996255 1.13107 0.109094 0.0607681 -0.0464149 68 CYS C CB +3838 S SG . CYS C 68 ? 1.52616 1.21716 1.33826 0.0826705 0.0204806 -0.0543627 68 CYS C SG +3839 N N . ASP C 69 ? 1.26937 0.760552 0.874672 0.0310969 0.026252 -0.059581 69 ASP C N +3840 C CA . ASP C 69 ? 1.38163 0.824973 0.927768 -0.00279659 0.0128313 -0.0619149 69 ASP C CA +3841 C C . ASP C 69 ? 1.31967 0.856222 0.947037 -0.0182454 -0.0214936 -0.0597888 69 ASP C C +3842 O O . ASP C 69 ? 1.47949 1.09136 1.17887 -0.0136419 -0.0397701 -0.0568511 69 ASP C O +3843 C CB . ASP C 69 ? 1.55266 0.908494 0.997402 -0.0452937 -0.00094359 -0.0634346 69 ASP C CB +3844 C CG . ASP C 69 ? 1.70893 0.924887 1.02386 -0.0434457 0.0367904 -0.0662681 69 ASP C CG +3845 O OD1 . ASP C 69 ? 1.66271 0.84697 0.968022 0.00099415 0.083379 -0.0634496 69 ASP C OD1 +3846 O OD2 . ASP C 69 ? 1.74081 0.874562 0.95795 -0.0864242 0.0210976 -0.0682592 69 ASP C OD2 +3847 N N . GLY C 70 ? 1.35111 0.876859 0.962933 -0.0346389 -0.0256816 -0.0597214 70 GLY C N +3848 C CA . GLY C 70 ? 1.30791 0.918222 0.997458 -0.0419127 -0.048042 -0.0550605 70 GLY C CA +3849 C C . GLY C 70 ? 1.33838 0.938681 0.998871 -0.0919276 -0.0747886 -0.0481028 70 GLY C C +3850 O O . GLY C 70 ? 1.74822 1.26269 1.3189 -0.117562 -0.0678915 -0.051574 70 GLY C O +3851 N N . LYS C 71 ? 1.24371 0.930555 0.978609 -0.106149 -0.102817 -0.0351891 71 LYS C N +3852 C CA . LYS C 71 ? 1.2391 0.945108 0.97246 -0.153108 -0.129861 -0.0206772 71 LYS C CA +3853 C C . LYS C 71 ? 1.2251 1.02297 1.05439 -0.138913 -0.131649 -0.00911208 71 LYS C C +3854 O O . LYS C 71 ? 1.17014 1.03526 1.07306 -0.109604 -0.131093 -0.00304237 71 LYS C O +3855 C CB . LYS C 71 ? 1.2883 1.0073 1.00819 -0.192231 -0.165529 -0.00510449 71 LYS C CB +3856 C CG . LYS C 71 ? 1.41017 1.15037 1.1214 -0.252357 -0.20006 0.015926 71 LYS C CG +3857 C CD . LYS C 71 ? 1.6127 1.27777 1.2204 -0.309259 -0.227488 0.0195613 71 LYS C CD +3858 C CE . LYS C 71 ? 1.65751 1.1742 1.12498 -0.325977 -0.203427 -0.00360186 71 LYS C CE +3859 N NZ . LYS C 71 ? 1.70191 1.13156 1.0607 -0.366904 -0.221948 -0.00392222 71 LYS C NZ +3860 N N . LEU C 72 ? 1.38657 1.17915 1.20755 -0.160847 -0.130878 -0.00494748 72 LEU C N +3861 C CA . LEU C 72 ? 1.28768 1.15334 1.18827 -0.146617 -0.12571 0.00646364 72 LEU C CA +3862 C C . LEU C 72 ? 1.227 1.16954 1.18207 -0.183638 -0.154731 0.0378244 72 LEU C C +3863 O O . LEU C 72 ? 1.14295 1.06454 1.05296 -0.236238 -0.180563 0.0479353 72 LEU C O +3864 C CB . LEU C 72 ? 1.35047 1.16477 1.21083 -0.145552 -0.103762 -0.0052421 72 LEU C CB +3865 C CG . LEU C 72 ? 1.43288 1.30684 1.3612 -0.131791 -0.0939717 0.00525523 72 LEU C CG +3866 C CD1 . LEU C 72 ? 1.41133 1.32889 1.39969 -0.079781 -0.0785373 0.00110821 72 LEU C CD1 +3867 C CD2 . LEU C 72 ? 1.58388 1.39764 1.45991 -0.137157 -0.0746266 -0.00510322 72 LEU C CD2 +3868 N N . GLY C 73 ? 1.27481 1.30357 1.32268 -0.157638 -0.148871 0.0564721 73 GLY C N +3869 C CA . GLY C 73 ? 1.37179 1.48996 1.48816 -0.183756 -0.171593 0.0952629 73 GLY C CA +3870 C C . GLY C 73 ? 1.30995 1.50327 1.51718 -0.146432 -0.148775 0.115487 73 GLY C C +3871 O O . GLY C 73 ? 1.32127 1.55985 1.58106 -0.109521 -0.140334 0.127681 73 GLY C O +3872 N N . ASN C 74 ? 1.24014 1.43569 1.45522 -0.157632 -0.135851 0.119837 74 ASN C N +3873 C CA . ASN C 74 ? 1.22534 1.48507 1.51815 -0.130243 -0.111469 0.14404 74 ASN C CA +3874 C C . ASN C 74 ? 1.10891 1.34099 1.40292 -0.0697506 -0.078317 0.123236 74 ASN C C +3875 O O . ASN C 74 ? 1.14121 1.30792 1.38542 -0.0554244 -0.0607881 0.0928957 74 ASN C O +3876 C CB . ASN C 74 ? 1.35075 1.71976 1.73098 -0.147132 -0.129704 0.195935 74 ASN C CB +3877 C CG . ASN C 74 ? 1.55508 1.98801 2.01321 -0.123992 -0.0991302 0.227573 74 ASN C CG +3878 O OD1 . ASN C 74 ? 1.87492 2.26449 2.31076 -0.111598 -0.0709493 0.209888 74 ASN C OD1 +3879 N ND2 . ASN C 74 ? 1.68393 2.21926 2.23316 -0.114358 -0.101281 0.277768 74 ASN C ND2 +3880 N N . GLU C 75 ? 1.20936 1.4872 1.55366 -0.0369757 -0.0707012 0.141482 75 GLU C N +3881 C CA . GLU C 75 ? 1.2498 1.49606 1.58753 0.0134788 -0.0391345 0.125371 75 GLU C CA +3882 C C . GLU C 75 ? 1.04308 1.25461 1.34502 0.0238417 -0.0501051 0.102893 75 GLU C C +3883 O O . GLU C 75 ? 0.962046 1.17132 1.2737 0.0574532 -0.033159 0.103948 75 GLU C O +3884 C CB . GLU C 75 ? 1.30716 1.60738 1.71137 0.0471479 -0.00906789 0.161472 75 GLU C CB +3885 C CG . GLU C 75 ? 1.32542 1.71917 1.8046 0.0399975 -0.0237047 0.210154 75 GLU C CG +3886 C CD . GLU C 75 ? 1.41468 1.86178 1.96243 0.0843781 0.0152219 0.253029 75 GLU C CD +3887 O OE1 . GLU C 75 ? 1.35901 1.79378 1.91425 0.103418 0.0506558 0.258052 75 GLU C OE1 +3888 O OE2 . GLU C 75 ? 1.38788 1.89086 1.983 0.101723 0.0129183 0.287152 75 GLU C OE2 +3889 N N . SER C 76 ? 0.926527 1.09956 1.17762 -0.00471935 -0.0738911 0.0816649 76 SER C N +3890 C CA . SER C 76 ? 0.867896 1.01123 1.08766 0.002051 -0.0831733 0.0642728 76 SER C CA +3891 C C . SER C 76 ? 0.93818 1.01676 1.08885 -0.0182825 -0.0929143 0.0365241 76 SER C C +3892 O O . SER C 76 ? 1.08823 1.145 1.20902 -0.0476039 -0.100482 0.0350881 76 SER C O +3893 C CB . SER C 76 ? 0.809633 0.999999 1.05922 -0.00863013 -0.10452 0.0900347 76 SER C CB +3894 O OG . SER C 76 ? 0.83662 1.03426 1.06854 -0.0562758 -0.135551 0.100618 76 SER C OG +3895 N N . VAL C 77 ? 0.963996 1.00958 1.08777 -0.00147361 -0.089237 0.0174986 77 VAL C N +3896 C CA . VAL C 77 ? 1.00409 0.99074 1.06658 -0.0118428 -0.092624 -0.0026028 77 VAL C CA +3897 C C . VAL C 77 ? 1.03267 1.01745 1.08737 -0.0129484 -0.103888 -0.00125624 77 VAL C C +3898 O O . VAL C 77 ? 1.22141 1.23193 1.30858 0.00965774 -0.0979933 0.00182905 77 VAL C O +3899 C CB . VAL C 77 ? 1.00426 0.958999 1.04907 0.0150379 -0.0715404 -0.0230612 77 VAL C CB +3900 C CG1 . VAL C 77 ? 1.07257 0.978727 1.06964 0.0181536 -0.0672978 -0.0371813 77 VAL C CG1 +3901 C CG2 . VAL C 77 ? 1.07984 1.02029 1.11361 0.0131695 -0.0615971 -0.0254563 77 VAL C CG2 +3902 N N . THR C 78 ? 1.08338 1.02572 1.08394 -0.0391176 -0.11714 -0.00438036 78 THR C N +3903 C CA . THR C 78 ? 1.06259 0.991336 1.04495 -0.0389562 -0.125033 -0.0048706 78 THR C CA +3904 C C . THR C 78 ? 1.10722 0.966819 1.03098 -0.0287223 -0.107166 -0.0257635 78 THR C C +3905 O O . THR C 78 ? 1.20682 1.00889 1.07285 -0.0411503 -0.0999063 -0.0335261 78 THR C O +3906 C CB . THR C 78 ? 1.00748 0.943722 0.971648 -0.0784427 -0.156213 0.014441 78 THR C CB +3907 O OG1 . THR C 78 ? 0.974974 0.990277 1.00947 -0.0816555 -0.167518 0.0404395 78 THR C OG1 +3908 C CG2 . THR C 78 ? 1.01066 0.936006 0.957758 -0.0760521 -0.16532 0.0168296 78 THR C CG2 +3909 N N . PHE C 79 ? 1.13452 0.998111 1.07253 -0.00425291 -0.0960165 -0.0321863 79 PHE C N +3910 C CA . PHE C 79 ? 1.15282 0.96451 1.04889 0.0085938 -0.0762275 -0.0449269 79 PHE C CA +3911 C C . PHE C 79 ? 1.09993 0.8737 0.951231 -0.00506932 -0.0838377 -0.0428452 79 PHE C C +3912 O O . PHE C 79 ? 1.0184 0.821675 0.89719 -0.00040021 -0.0923319 -0.0373441 79 PHE C O +3913 C CB . PHE C 79 ? 1.13414 0.977454 1.07503 0.0386199 -0.0597086 -0.0508544 79 PHE C CB +3914 C CG . PHE C 79 ? 1.15453 1.02746 1.12866 0.0503217 -0.0540922 -0.0526516 79 PHE C CG +3915 C CD1 . PHE C 79 ? 1.20478 1.05602 1.16095 0.0614212 -0.0385931 -0.0566325 79 PHE C CD1 +3916 C CD2 . PHE C 79 ? 1.16207 1.07836 1.17935 0.053136 -0.0609974 -0.0478028 79 PHE C CD2 +3917 C CE1 . PHE C 79 ? 1.17727 1.05235 1.15776 0.0715827 -0.0355012 -0.0571559 79 PHE C CE1 +3918 C CE2 . PHE C 79 ? 1.25289 1.18393 1.28788 0.0626141 -0.0544798 -0.0500196 79 PHE C CE2 +3919 C CZ . PHE C 79 ? 1.2951 1.20677 1.31142 0.0699117 -0.0445144 -0.0553826 79 PHE C CZ +3920 N N . TYR C 80 ? 1.20617 0.904082 0.978292 -0.0215796 -0.0782208 -0.0467471 80 TYR C N +3921 C CA . TYR C 80 ? 1.26282 0.904953 0.972065 -0.0368754 -0.0829647 -0.0458379 80 TYR C CA +3922 C C . TYR C 80 ? 1.24912 0.849272 0.936536 -0.00694991 -0.0471796 -0.0541015 80 TYR C C +3923 O O . TYR C 80 ? 1.13413 0.665711 0.762123 -0.00019725 -0.0205984 -0.05806 80 TYR C O +3924 C CB . TYR C 80 ? 1.41628 0.98675 1.03603 -0.0788315 -0.0977661 -0.0435461 80 TYR C CB +3925 C CG . TYR C 80 ? 1.80923 1.30551 1.34252 -0.102518 -0.106356 -0.0421535 80 TYR C CG +3926 C CD1 . TYR C 80 ? 1.76188 1.27743 1.31487 -0.0899806 -0.110147 -0.0389488 80 TYR C CD1 +3927 C CD2 . TYR C 80 ? 2.10261 1.4969 1.52065 -0.14093 -0.110242 -0.044124 80 TYR C CD2 +3928 C CE1 . TYR C 80 ? 1.78446 1.22631 1.25107 -0.112258 -0.118509 -0.0371525 80 TYR C CE1 +3929 C CE2 . TYR C 80 ? 2.11226 1.42569 1.43548 -0.167028 -0.119401 -0.0429108 80 TYR C CE2 +3930 C CZ . TYR C 80 ? 1.94594 1.28451 1.29503 -0.150962 -0.123314 -0.039346 80 TYR C CZ +3931 O OH . TYR C 80 ? 2.21386 1.46917 1.46446 -0.176874 -0.133205 -0.0374871 80 TYR C OH +3932 N N . LEU C 81 ? 1.26259 0.900055 0.994229 0.0108404 -0.0436807 -0.0536171 81 LEU C N +3933 C CA . LEU C 81 ? 1.27952 0.89005 1.00167 0.0359463 -0.0106746 -0.0567364 81 LEU C CA +3934 C C . LEU C 81 ? 1.28963 0.821934 0.931705 0.0244508 -0.00530378 -0.0565469 81 LEU C C +3935 O O . LEU C 81 ? 1.3289 0.870462 0.969241 0.0105235 -0.0276224 -0.0535911 81 LEU C O +3936 C CB . LEU C 81 ? 1.3029 0.983851 1.10309 0.0543999 -0.00843144 -0.0565273 81 LEU C CB +3937 C CG . LEU C 81 ? 1.33723 1.08867 1.20701 0.0615282 -0.0172671 -0.0569452 81 LEU C CG +3938 C CD1 . LEU C 81 ? 1.33602 1.13229 1.25603 0.0710584 -0.0152865 -0.057598 81 LEU C CD1 +3939 C CD2 . LEU C 81 ? 1.35521 1.10419 1.22789 0.0757387 0.00124659 -0.0564878 81 LEU C CD2 +3940 N N . GLN C 82 ? 1.35549 0.807842 0.929828 0.0352316 0.0292113 -0.0573988 82 GLN C N +3941 C CA . GLN C 82 ? 1.51464 0.87205 0.996405 0.0284275 0.0447437 -0.0575293 82 GLN C CA +3942 C C . GLN C 82 ? 1.48895 0.840129 0.988621 0.0651029 0.0900108 -0.0529884 82 GLN C C +3943 O O . GLN C 82 ? 1.42415 0.846473 1.00557 0.0909803 0.105081 -0.0479795 82 GLN C O +3944 C CB . GLN C 82 ? 1.77682 1.01961 1.13973 0.00914998 0.0557166 -0.0595833 82 GLN C CB +3945 C CG . GLN C 82 ? 1.83117 1.07686 1.16937 -0.0363843 0.00943171 -0.0606926 82 GLN C CG +3946 C CD . GLN C 82 ? 1.98884 1.11035 1.19768 -0.0624357 0.0208551 -0.0639098 82 GLN C CD +3947 O OE1 . GLN C 82 ? 1.95728 0.975818 1.05254 -0.090427 0.0182251 -0.0650515 82 GLN C OE1 +3948 N NE2 . GLN C 82 ? 2.04591 1.16688 1.26097 -0.0550245 0.0344752 -0.0653456 82 GLN C NE2 +3949 N N . ASN C 83 ? 1.60776 0.882523 1.03639 0.0636595 0.10731 -0.0523722 83 ASN C N +3950 C CA . ASN C 83 ? 1.63658 0.897449 1.0746 0.0959684 0.15396 -0.0444734 83 ASN C CA +3951 C C . ASN C 83 ? 1.61623 0.996121 1.17929 0.113041 0.151691 -0.0399095 83 ASN C C +3952 O O . ASN C 83 ? 1.87582 1.28235 1.48203 0.141483 0.189066 -0.0272429 83 ASN C O +3953 C CB . ASN C 83 ? 1.73482 0.922383 1.11824 0.123839 0.207078 -0.0347038 83 ASN C CB +3954 C CG . ASN C 83 ? 2.08677 1.1224 1.31618 0.105253 0.22023 -0.0396846 83 ASN C CG +3955 O OD1 . ASN C 83 ? 2.22187 1.1964 1.38608 0.0959197 0.223478 -0.042099 83 ASN C OD1 +3956 N ND2 . ASN C 83 ? 2.24295 1.20336 1.3996 0.0974315 0.230083 -0.0411963 83 ASN C ND2 +3957 N N . LEU C 84 ? 1.45331 0.902481 1.07126 0.0947401 0.109717 -0.046974 84 LEU C N +3958 C CA . LEU C 84 ? 1.29683 0.835918 1.00871 0.102919 0.106522 -0.0450334 84 LEU C CA +3959 C C . LEU C 84 ? 1.3637 0.879454 1.06558 0.110801 0.132647 -0.0407629 84 LEU C C +3960 O O . LEU C 84 ? 1.36108 0.805415 0.990696 0.102184 0.132995 -0.0440029 84 LEU C O +3961 C CB . LEU C 84 ? 1.23654 0.826723 0.98403 0.0845405 0.0640551 -0.0520803 84 LEU C CB +3962 C CG . LEU C 84 ? 1.26865 0.915864 1.06375 0.0810558 0.042294 -0.0539288 84 LEU C CG +3963 C CD1 . LEU C 84 ? 1.24424 0.919607 1.0535 0.0658097 0.00729997 -0.0555329 84 LEU C CD1 +3964 C CD2 . LEU C 84 ? 1.25709 0.972342 1.12604 0.09393 0.0527814 -0.0509228 84 LEU C CD2 +3965 N N . TYR C 85 ? 1.3535 0.931409 1.12708 0.123157 0.151746 -0.0320059 85 TYR C N +3966 C CA . TYR C 85 ? 1.41951 0.989493 1.19695 0.125566 0.173883 -0.0272672 85 TYR C CA +3967 C C . TYR C 85 ? 1.35296 0.955084 1.15496 0.106684 0.144872 -0.0374742 85 TYR C C +3968 O O . TYR C 85 ? 1.16735 0.820061 1.0087 0.0968245 0.115877 -0.0435503 85 TYR C O +3969 C CB . TYR C 85 ? 1.44896 1.07501 1.29331 0.142941 0.208332 -0.00735301 85 TYR C CB +3970 C CG . TYR C 85 ? 1.46948 1.0653 1.29426 0.171767 0.24758 0.0100448 85 TYR C CG +3971 C CD1 . TYR C 85 ? 1.59656 1.08972 1.33406 0.186359 0.284383 0.0136174 85 TYR C CD1 +3972 C CD2 . TYR C 85 ? 1.51403 1.1771 1.4012 0.186822 0.25226 0.0257039 85 TYR C CD2 +3973 C CE1 . TYR C 85 ? 1.80714 1.25765 1.51538 0.217782 0.329794 0.0320698 85 TYR C CE1 +3974 C CE2 . TYR C 85 ? 1.67016 1.30239 1.53781 0.219943 0.294484 0.0461735 85 TYR C CE2 +3975 C CZ . TYR C 85 ? 1.86657 1.38883 1.64291 0.237089 0.336491 0.0496052 85 TYR C CZ +3976 O OH . TYR C 85 ? 1.97755 1.45605 1.7243 0.274509 0.386268 0.0720332 85 TYR C OH +3977 N N . VAL C 86 ? 1.50106 1.06515 1.27332 0.104223 0.158334 -0.0379164 86 VAL C N +3978 C CA . VAL C 86 ? 1.41115 0.989524 1.19343 0.090795 0.139093 -0.0453377 86 VAL C CA +3979 C C . VAL C 86 ? 1.31268 0.966899 1.1706 0.0819331 0.137711 -0.0434177 86 VAL C C +3980 O O . VAL C 86 ? 1.15783 0.829503 1.02673 0.0707706 0.117133 -0.0508482 86 VAL C O +3981 C CB . VAL C 86 ? 1.49529 1.00951 1.2238 0.0916722 0.1594 -0.044629 86 VAL C CB +3982 C CG1 . VAL C 86 ? 1.57842 1.08915 1.32213 0.101622 0.204608 -0.0324986 86 VAL C CG1 +3983 C CG2 . VAL C 86 ? 1.61795 1.13712 1.34914 0.0815931 0.145806 -0.0502384 86 VAL C CG2 +3984 N N . ASN C 87 ? 1.3129 1.00895 1.21813 0.086577 0.160882 -0.030082 87 ASN C N +3985 C CA . ASN C 87 ? 1.18922 0.961145 1.16396 0.0708932 0.156612 -0.0231614 87 ASN C CA +3986 C C . ASN C 87 ? 1.13815 0.956544 1.14369 0.0664887 0.126886 -0.0277708 87 ASN C C +3987 O O . ASN C 87 ? 1.17225 1.04896 1.22545 0.0500454 0.116652 -0.0225464 87 ASN C O +3988 C CB . ASN C 87 ? 1.11623 0.925638 1.13577 0.0783173 0.190707 0.00075894 87 ASN C CB +3989 C CG . ASN C 87 ? 1.19695 1.02036 1.23068 0.104965 0.204508 0.01519 87 ASN C CG +3990 O OD1 . ASN C 87 ? 1.27482 1.08426 1.28728 0.110816 0.183898 0.00430947 87 ASN C OD1 +3991 N ND2 . ASN C 87 ? 1.3474 1.19843 1.41709 0.123066 0.241531 0.0423453 87 ASN C ND2 +3992 N N . GLN C 88 ? 1.1026 0.893097 1.07673 0.0775687 0.111767 -0.0363985 88 GLN C N +3993 C CA . GLN C 88 ? 1.05162 0.878612 1.04967 0.0753356 0.08724 -0.0405138 88 GLN C CA +3994 C C . GLN C 88 ? 1.04754 0.862402 1.02822 0.0651601 0.062861 -0.0536953 88 GLN C C +3995 O O . GLN C 88 ? 1.03314 0.866933 1.02445 0.0653965 0.0445235 -0.0573703 88 GLN C O +3996 C CB . GLN C 88 ? 1.07559 0.880965 1.05194 0.0926245 0.090642 -0.03785 88 GLN C CB +3997 C CG . GLN C 88 ? 1.15516 1.00664 1.1746 0.105131 0.103123 -0.0226863 88 GLN C CG +3998 C CD . GLN C 88 ? 1.25923 1.06519 1.24362 0.129134 0.133685 -0.0120124 88 GLN C CD +3999 O OE1 . GLN C 88 ? 1.35208 1.09038 1.27146 0.131559 0.132637 -0.0209464 88 GLN C OE1 +4000 N NE2 . GLN C 88 ? 1.27251 1.11324 1.29638 0.146565 0.163157 0.0108081 88 GLN C NE2 +4001 N N . THR C 89 ? 1.04435 0.825209 0.99703 0.0596902 0.0667262 -0.0580083 89 THR C N +4002 C CA . THR C 89 ? 1.03304 0.798963 0.968113 0.0573354 0.052074 -0.0643356 89 THR C CA +4003 C C . THR C 89 ? 0.966756 0.762102 0.926299 0.043121 0.046238 -0.0677477 89 THR C C +4004 O O . THR C 89 ? 1.02658 0.832109 0.996549 0.0250037 0.0549534 -0.0669677 89 THR C O +4005 C CB . THR C 89 ? 1.06478 0.783611 0.961221 0.0573897 0.0639272 -0.0648958 89 THR C CB +4006 O OG1 . THR C 89 ? 1.11292 0.798013 0.976188 0.0677308 0.0654949 -0.0613395 89 THR C OG1 +4007 C CG2 . THR C 89 ? 1.08546 0.784312 0.961347 0.0614788 0.0571477 -0.0659149 89 THR C CG2 +4008 N N . ASP C 90 ? 0.986389 0.794407 0.95229 0.0478436 0.0314028 -0.0698271 90 ASP C N +4009 C CA . ASP C 90 ? 1.09415 0.922583 1.0735 0.0330829 0.025565 -0.0730421 90 ASP C CA +4010 C C . ASP C 90 ? 1.02419 0.848281 0.997346 0.0449042 0.0161564 -0.0742508 90 ASP C C +4011 O O . ASP C 90 ? 1.01169 0.828585 0.979956 0.0625283 0.0125296 -0.0694353 90 ASP C O +4012 C CB . ASP C 90 ? 1.04509 0.924 1.0647 0.0236848 0.0214199 -0.0673905 90 ASP C CB +4013 C CG . ASP C 90 ? 1.00261 0.903553 1.03207 -0.00575064 0.0159517 -0.0658944 90 ASP C CG +4014 O OD1 . ASP C 90 ? 1.08952 0.966838 1.09132 -0.0176421 0.00913963 -0.0732782 90 ASP C OD1 +4015 O OD2 . ASP C 90 ? 1.07372 1.01441 1.13589 -0.0182647 0.0191209 -0.0545111 90 ASP C OD2 +4016 N N . ILE C 91 ? 0.933346 0.762191 0.905112 0.0325139 0.0122051 -0.0779122 91 ILE C N +4017 C CA . ILE C 91 ? 0.98352 0.810023 0.952122 0.0442166 0.0078485 -0.0774166 91 ILE C CA +4018 C C . ILE C 91 ? 1.01046 0.881095 1.01349 0.0463003 -0.00564251 -0.075775 91 ILE C C +4019 O O . ILE C 91 ? 0.979501 0.878127 1.00073 0.0325486 -0.0110785 -0.0751382 91 ILE C O +4020 C CB . ILE C 91 ? 0.984464 0.7703 0.912492 0.0302312 0.0156697 -0.0828121 91 ILE C CB +4021 C CG1 . ILE C 91 ? 0.991899 0.764607 0.911049 0.0496227 0.0204034 -0.0791093 91 ILE C CG1 +4022 C CG2 . ILE C 91 ? 0.881927 0.682844 0.809316 -0.00331727 0.00471759 -0.087184 91 ILE C CG2 +4023 C CD1 . ILE C 91 ? 1.02997 0.734268 0.887268 0.0442227 0.039428 -0.0824476 91 ILE C CD1 +4024 N N . TYR C 92 ? 0.943988 0.823019 0.956932 0.0633592 -0.0102209 -0.0715489 92 TYR C N +4025 C CA . TYR C 92 ? 0.930969 0.840107 0.966711 0.0662404 -0.0199502 -0.0702955 92 TYR C CA +4026 C C . TYR C 92 ? 1.01072 0.917714 1.0442 0.072301 -0.0208384 -0.069262 92 TYR C C +4027 O O . TYR C 92 ? 1.13806 1.02985 1.16364 0.0833327 -0.0137012 -0.0635075 92 TYR C O +4028 C CB . TYR C 92 ? 0.803372 0.717202 0.844441 0.0743003 -0.0239298 -0.0657464 92 TYR C CB +4029 C CG . TYR C 92 ? 0.781637 0.688708 0.817837 0.0716744 -0.0169184 -0.0657635 92 TYR C CG +4030 C CD1 . TYR C 92 ? 0.893394 0.778802 0.914037 0.0691847 -0.00952794 -0.0662497 92 TYR C CD1 +4031 C CD2 . TYR C 92 ? 0.767544 0.684757 0.811338 0.075061 -0.0124399 -0.0628914 92 TYR C CD2 +4032 C CE1 . TYR C 92 ? 0.869797 0.745186 0.884294 0.0680706 0.0015789 -0.0647845 92 TYR C CE1 +4033 C CE2 . TYR C 92 ? 0.797089 0.704156 0.835417 0.0776585 0.0017333 -0.05893 92 TYR C CE2 +4034 C CZ . TYR C 92 ? 0.822845 0.710058 0.847756 0.0730283 0.00860871 -0.0603062 92 TYR C CZ +4035 O OH . TYR C 92 ? 0.999033 0.871283 1.01569 0.0764232 0.0263846 -0.0554323 92 TYR C OH +4036 N N . PHE C 93 ? 1.04299 0.9659 1.08407 0.068026 -0.0270398 -0.0714054 93 PHE C N +4037 C CA . PHE C 93 ? 0.957148 0.870672 0.989381 0.0729495 -0.0246992 -0.0709667 93 PHE C CA +4038 C C . PHE C 93 ? 0.915947 0.853033 0.967579 0.0794898 -0.0315528 -0.0680655 93 PHE C C +4039 O O . PHE C 93 ? 0.721332 0.676469 0.782395 0.0763398 -0.0381066 -0.0687445 93 PHE C O +4040 C CB . PHE C 93 ? 1.08339 0.980234 1.08937 0.0563086 -0.0267557 -0.0769174 93 PHE C CB +4041 C CG . PHE C 93 ? 1.10624 0.962477 1.07462 0.0424658 -0.0182081 -0.0813583 93 PHE C CG +4042 C CD1 . PHE C 93 ? 1.12313 0.92666 1.05154 0.0515803 0.00113027 -0.0810589 93 PHE C CD1 +4043 C CD2 . PHE C 93 ? 1.09878 0.966157 1.06853 0.0204215 -0.0260314 -0.0832247 93 PHE C CD2 +4044 C CE1 . PHE C 93 ? 1.13737 0.887963 1.01678 0.0383134 0.0131191 -0.085627 93 PHE C CE1 +4045 C CE2 . PHE C 93 ? 1.18777 1.01027 1.11434 0.00146032 -0.0181477 -0.0880237 93 PHE C CE2 +4046 C CZ . PHE C 93 ? 1.23048 0.988562 1.10643 0.0102219 0.00181175 -0.0907716 93 PHE C CZ +4047 N N . CYS C 94 ? 1.02445 0.95999 1.08074 0.0896102 -0.0267662 -0.0618247 94 CYS C N +4048 C CA . CYS C 94 ? 1.01342 0.96342 1.08133 0.0922875 -0.0308429 -0.0588784 94 CYS C CA +4049 C C . CYS C 94 ? 1.08448 1.02256 1.13673 0.0922787 -0.0275494 -0.0630048 94 CYS C C +4050 O O . CYS C 94 ? 1.13465 1.04675 1.16588 0.0947453 -0.0166429 -0.0631361 94 CYS C O +4051 C CB . CYS C 94 ? 1.0059 0.967865 1.09148 0.0988619 -0.0277477 -0.0456175 94 CYS C CB +4052 S SG . CYS C 94 ? 1.24837 1.22441 1.34599 0.0950126 -0.0373831 -0.0354948 94 CYS C SG +4053 N N . LYS C 95 ? 1.19042 1.13931 1.24511 0.0911391 -0.0343879 -0.0646411 95 LYS C N +4054 C CA . LYS C 95 ? 1.12107 1.06031 1.1587 0.091095 -0.0347536 -0.0665797 95 LYS C CA +4055 C C . LYS C 95 ? 1.12346 1.06656 1.16738 0.0978469 -0.0320443 -0.0629564 95 LYS C C +4056 O O . LYS C 95 ? 0.991801 0.943716 1.04602 0.0975472 -0.0342101 -0.0607457 95 LYS C O +4057 C CB . LYS C 95 ? 1.10355 1.05731 1.13873 0.0821448 -0.0470531 -0.0675051 95 LYS C CB +4058 C CG . LYS C 95 ? 1.39209 1.33745 1.40248 0.0751073 -0.0550427 -0.067139 95 LYS C CG +4059 C CD . LYS C 95 ? 1.5209 1.49919 1.54481 0.0783572 -0.0669228 -0.0576114 95 LYS C CD +4060 C CE . LYS C 95 ? 1.40625 1.38288 1.43504 0.0970989 -0.0581484 -0.0544591 95 LYS C CE +4061 N NZ . LYS C 95 ? 1.31342 1.31557 1.35079 0.10772 -0.0633788 -0.04129 95 LYS C NZ +4062 N N . ILE C 96 ? 1.17335 1.10018 1.20141 0.101515 -0.0256284 -0.0625328 96 ILE C N +4063 C CA . ILE C 96 ? 1.14301 1.06831 1.17278 0.105446 -0.0205419 -0.0588857 96 ILE C CA +4064 C C . ILE C 96 ? 1.04452 0.948656 1.04568 0.109336 -0.0182263 -0.0608807 96 ILE C C +4065 O O . ILE C 96 ? 1.03105 0.912368 1.00768 0.107901 -0.0147619 -0.0633159 96 ILE C O +4066 C CB . ILE C 96 ? 1.29092 1.22335 1.34142 0.106013 -0.00962531 -0.0493032 96 ILE C CB +4067 C CG1 . ILE C 96 ? 1.14496 1.07704 1.19759 0.102754 -0.00464195 -0.0437872 96 ILE C CG1 +4068 C CG2 . ILE C 96 ? 1.38212 1.29904 1.42709 0.11554 0.00723819 -0.0441083 96 ILE C CG2 +4069 C CD1 . ILE C 96 ? 1.06135 0.992806 1.10752 0.0917907 -0.0143478 -0.0458902 96 ILE C CD1 +4070 N N . GLU C 97 ? 0.957889 0.859048 0.951855 0.113547 -0.0180425 -0.0592684 97 GLU C N +4071 C CA . GLU C 97 ? 0.991701 0.868112 0.957017 0.118815 -0.0121742 -0.0588583 97 GLU C CA +4072 C C . GLU C 97 ? 0.943907 0.809821 0.908462 0.120663 -0.00017482 -0.0555368 97 GLU C C +4073 O O . GLU C 97 ? 0.994639 0.864329 0.96301 0.118596 -0.00181691 -0.0545088 97 GLU C O +4074 C CB . GLU C 97 ? 0.946543 0.82392 0.890213 0.121444 -0.0263344 -0.0573576 97 GLU C CB +4075 C CG . GLU C 97 ? 1.01755 0.923223 0.979313 0.128548 -0.0341916 -0.0507325 97 GLU C CG +4076 C CD . GLU C 97 ? 1.18828 1.11136 1.14073 0.133107 -0.0492867 -0.0401208 97 GLU C CD +4077 O OE1 . GLU C 97 ? 1.54627 1.47873 1.50154 0.150349 -0.0453406 -0.0287496 97 GLU C OE1 +4078 O OE2 . GLU C 97 ? 1.0175 0.942642 0.956065 0.118731 -0.0645224 -0.0404196 97 GLU C OE2 +4079 N N . VAL C 98 ? 0.980006 0.824678 0.931898 0.122943 0.0146051 -0.053153 98 VAL C N +4080 C CA . VAL C 98 ? 1.11296 0.944414 1.05914 0.120976 0.0267165 -0.0490937 98 VAL C CA +4081 C C . VAL C 98 ? 1.15414 0.951322 1.05719 0.131454 0.0304372 -0.0511526 98 VAL C C +4082 O O . VAL C 98 ? 1.25265 1.03026 1.13029 0.13684 0.0309993 -0.0528547 98 VAL C O +4083 C CB . VAL C 98 ? 1.24785 1.08863 1.22009 0.11719 0.0441445 -0.038946 98 VAL C CB +4084 C CG1 . VAL C 98 ? 1.37473 1.19863 1.33776 0.113254 0.0604136 -0.0326851 98 VAL C CG1 +4085 C CG2 . VAL C 98 ? 1.19862 1.08091 1.21631 0.105807 0.0370634 -0.030802 98 VAL C CG2 +4086 N N . MET C 99 ? 1.1375 0.917763 1.02192 0.133409 0.0345088 -0.049989 99 MET C N +4087 C CA . MET C 99 ? 1.12399 0.87155 0.966062 0.146569 0.0386829 -0.0488197 99 MET C CA +4088 C C . MET C 99 ? 1.24737 0.961097 1.06966 0.142792 0.0604357 -0.0468819 99 MET C C +4089 O O . MET C 99 ? 1.4101 1.09201 1.1988 0.151475 0.0697177 -0.0461248 99 MET C O +4090 C CB . MET C 99 ? 1.14839 0.897299 0.977304 0.159739 0.0310341 -0.0445125 99 MET C CB +4091 C CG . MET C 99 ? 1.15799 0.939798 0.997229 0.168108 0.00967477 -0.0394948 99 MET C CG +4092 S SD . MET C 99 ? 1.15428 0.921129 0.954526 0.173805 -0.00240806 -0.0341838 99 MET C SD +4093 C CE . MET C 99 ? 1.23589 0.96224 0.995515 0.194367 0.0152627 -0.026117 99 MET C CE +4094 N N . TYR C 100 ? 1.26346 0.980214 1.10054 0.126199 0.0675851 -0.0450519 100 TYR C N +4095 C CA . TYR C 100 ? 1.27752 0.966567 1.09878 0.114759 0.0870016 -0.040999 100 TYR C CA +4096 C C . TYR C 100 ? 1.23783 0.961239 1.10366 0.0869187 0.0875579 -0.0330948 100 TYR C C +4097 O O . TYR C 100 ? 1.28448 1.02997 1.16777 0.0737131 0.0722682 -0.0338251 100 TYR C O +4098 C CB . TYR C 100 ? 1.28621 0.928062 1.05708 0.115634 0.0939993 -0.0428947 100 TYR C CB +4099 C CG . TYR C 100 ? 1.28934 0.901346 1.01712 0.145757 0.0948977 -0.0428352 100 TYR C CG +4100 C CD1 . TYR C 100 ? 1.33515 0.908816 1.02498 0.156562 0.109017 -0.0409132 100 TYR C CD1 +4101 C CD2 . TYR C 100 ? 1.33023 0.956195 1.05733 0.164013 0.0820812 -0.0404899 100 TYR C CD2 +4102 C CE1 . TYR C 100 ? 1.45755 1.00964 1.10856 0.183948 0.105999 -0.0360684 100 TYR C CE1 +4103 C CE2 . TYR C 100 ? 1.37916 0.993154 1.07723 0.192401 0.0804635 -0.0322259 100 TYR C CE2 +4104 C CZ . TYR C 100 ? 1.41033 0.987525 1.06889 0.202078 0.0906095 -0.0296296 100 TYR C CZ +4105 O OH . TYR C 100 ? 1.38876 0.960575 1.02022 0.230155 0.0852093 -0.0168799 100 TYR C OH +4106 N N . PRO C 101 ? 1.30922 1.03944 1.19384 0.0759341 0.10505 -0.0218356 101 PRO C N +4107 C CA . PRO C 101 ? 1.42315 1.11958 1.28179 0.0927447 0.127592 -0.0203997 101 PRO C CA +4108 C C . PRO C 101 ? 1.33551 1.03452 1.19739 0.116761 0.130505 -0.0218282 101 PRO C C +4109 O O . PRO C 101 ? 1.32969 1.06646 1.23007 0.117519 0.122552 -0.0185358 101 PRO C O +4110 C CB . PRO C 101 ? 1.44526 1.15856 1.3343 0.0698966 0.146987 -0.00315583 101 PRO C CB +4111 C CG . PRO C 101 ? 1.41536 1.15769 1.32576 0.0346228 0.127457 0.00098206 101 PRO C CG +4112 C CD . PRO C 101 ? 1.34441 1.11666 1.27554 0.0444693 0.104212 -0.00596275 101 PRO C CD +4113 N N . PRO C 102 ? 1.23304 0.882419 1.04309 0.134907 0.141334 -0.0269375 102 PRO C N +4114 C CA . PRO C 102 ? 1.2385 0.869479 1.0265 0.150857 0.141983 -0.0303558 102 PRO C CA +4115 C C . PRO C 102 ? 1.2972 0.941362 1.11821 0.15531 0.166763 -0.0176986 102 PRO C C +4116 O O . PRO C 102 ? 1.27449 0.942144 1.13598 0.149947 0.189013 -0.00149259 102 PRO C O +4117 C CB . PRO C 102 ? 1.3077 0.874463 1.02467 0.162854 0.151214 -0.0345352 102 PRO C CB +4118 C CG . PRO C 102 ? 1.28683 0.845212 0.989991 0.159142 0.147223 -0.0359281 102 PRO C CG +4119 C CD . PRO C 102 ? 1.27915 0.878151 1.03734 0.138512 0.152613 -0.029415 102 PRO C CD +4120 N N . PRO C 103 ? 1.32421 0.947936 1.12247 0.16585 0.166935 -0.0215446 103 PRO C N +4121 C CA . PRO C 103 ? 1.30203 0.900463 1.0504 0.16504 0.138346 -0.0369151 103 PRO C CA +4122 C C . PRO C 103 ? 1.2474 0.895099 1.02934 0.155757 0.104815 -0.0433555 103 PRO C C +4123 O O . PRO C 103 ? 1.18146 0.878459 1.02142 0.149931 0.102345 -0.0383791 103 PRO C O +4124 C CB . PRO C 103 ? 1.37324 0.912337 1.06929 0.174055 0.159909 -0.0364054 103 PRO C CB +4125 C CG . PRO C 103 ? 1.34368 0.910655 1.09441 0.18321 0.189904 -0.0204972 103 PRO C CG +4126 C CD . PRO C 103 ? 1.33023 0.947492 1.14242 0.178747 0.198411 -0.00773638 103 PRO C CD +4127 N N . TYR C 104 ? 1.1811 0.816262 0.924665 0.153242 0.078386 -0.0514269 104 TYR C N +4128 C CA . TYR C 104 ? 1.09787 0.772075 0.863301 0.145332 0.04923 -0.0553382 104 TYR C CA +4129 C C . TYR C 104 ? 1.10154 0.76862 0.868314 0.140628 0.0552463 -0.0572557 104 TYR C C +4130 O O . TYR C 104 ? 1.22374 0.834371 0.934438 0.140308 0.0672361 -0.0591737 104 TYR C O +4131 C CB . TYR C 104 ? 1.16452 0.832512 0.890509 0.141553 0.0206313 -0.0560065 104 TYR C CB +4132 C CG . TYR C 104 ? 1.23115 0.938034 0.977982 0.129458 -0.00641682 -0.0567157 104 TYR C CG +4133 C CD1 . TYR C 104 ? 1.26093 1.02274 1.06395 0.132048 -0.0153649 -0.0541351 104 TYR C CD1 +4134 C CD2 . TYR C 104 ? 1.26819 0.949545 0.971466 0.112272 -0.0210957 -0.0595489 104 TYR C CD2 +4135 C CE1 . TYR C 104 ? 1.13928 0.937084 0.964269 0.121636 -0.0358656 -0.0531258 104 TYR C CE1 +4136 C CE2 . TYR C 104 ? 1.19254 0.911048 0.916161 0.0965868 -0.0452458 -0.0587782 104 TYR C CE2 +4137 C CZ . TYR C 104 ? 1.07564 0.856847 0.865512 0.103185 -0.0516917 -0.0548663 104 TYR C CZ +4138 O OH . TYR C 104 ? 1.02938 0.850576 0.845809 0.0901759 -0.0709738 -0.0522001 104 TYR C OH +4139 N N . LEU C 105 ? 1.07618 0.789656 0.896336 0.1374 0.0495119 -0.0562443 105 LEU C N +4140 C CA . LEU C 105 ? 1.13235 0.839024 0.954668 0.135966 0.0571801 -0.0562839 105 LEU C CA +4141 C C . LEU C 105 ? 1.09154 0.842259 0.946088 0.12577 0.0314457 -0.060471 105 LEU C C +4142 O O . LEU C 105 ? 1.1232 0.915776 1.01476 0.124596 0.0178284 -0.0596291 105 LEU C O +4143 C CB . LEU C 105 ? 1.15031 0.872081 1.0149 0.147994 0.0866865 -0.0431208 105 LEU C CB +4144 C CG . LEU C 105 ? 1.16155 0.847282 1.00819 0.161801 0.122012 -0.0324947 105 LEU C CG +4145 C CD1 . LEU C 105 ? 1.18436 0.92272 1.10275 0.169369 0.140238 -0.012035 105 LEU C CD1 +4146 C CD2 . LEU C 105 ? 1.2645 0.868564 1.03479 0.170185 0.145957 -0.0347486 105 LEU C CD2 +4147 N N . ASP C 106 ? 1.2 0.932085 1.03387 0.118662 0.0297638 -0.0642502 106 ASP C N +4148 C CA . ASP C 106 ? 1.09098 0.859111 0.954093 0.109142 0.0116796 -0.0670612 106 ASP C CA +4149 C C . ASP C 106 ? 1.18508 0.935835 1.05119 0.116186 0.0338848 -0.0634493 106 ASP C C +4150 O O . ASP C 106 ? 1.17924 0.888416 1.02067 0.129442 0.0634721 -0.0571599 106 ASP C O +4151 C CB . ASP C 106 ? 1.11649 0.88402 0.950026 0.0896049 -0.0165029 -0.0720007 106 ASP C CB +4152 C CG . ASP C 106 ? 1.43481 1.13631 1.19198 0.072207 -0.0159211 -0.0772571 106 ASP C CG +4153 O OD1 . ASP C 106 ? 1.86294 1.50254 1.56909 0.079167 0.00706186 -0.0780768 106 ASP C OD1 +4154 O OD2 . ASP C 106 ? 1.54011 1.24514 1.28013 0.0484014 -0.0379235 -0.0795599 106 ASP C OD2 +4155 N N . ASN C 107 ? 1.2071 0.985953 1.1005 0.110671 0.0235661 -0.0646998 107 ASN C N +4156 C CA . ASN C 107 ? 1.21237 0.98103 1.11395 0.121551 0.0444079 -0.0576327 107 ASN C CA +4157 C C . ASN C 107 ? 1.25877 0.963898 1.09516 0.112012 0.0522931 -0.064847 107 ASN C C +4158 O O . ASN C 107 ? 1.23543 0.92818 1.03872 0.0877821 0.0297534 -0.0756222 107 ASN C O +4159 C CB . ASN C 107 ? 1.26463 1.09004 1.22354 0.120779 0.0307537 -0.0540223 107 ASN C CB +4160 C CG . ASN C 107 ? 1.39416 1.23198 1.34908 0.102771 0.00646644 -0.064978 107 ASN C CG +4161 O OD1 . ASN C 107 ? 1.39086 1.25225 1.35382 0.0942122 -0.0127128 -0.0689935 107 ASN C OD1 +4162 N ND2 . ASN C 107 ? 1.6622 1.48583 1.60686 0.0992201 0.0102477 -0.0664341 107 ASN C ND2 +4163 N N . GLU C 108 ? 1.4033 1.06742 1.21981 0.130638 0.0861059 -0.055391 108 GLU C N +4164 C CA . GLU C 108 ? 1.61083 1.19894 1.35476 0.123666 0.101698 -0.0609494 108 GLU C CA +4165 C C . GLU C 108 ? 1.47275 1.09683 1.25067 0.117148 0.0878266 -0.0623902 108 GLU C C +4166 O O . GLU C 108 ? 1.5306 1.20521 1.37053 0.137119 0.093511 -0.0490236 108 GLU C O +4167 C CB . GLU C 108 ? 1.88042 1.4 1.58255 0.154378 0.152832 -0.0461394 108 GLU C CB +4168 C CG . GLU C 108 ? 2.00318 1.41 1.59932 0.148563 0.179494 -0.0522238 108 GLU C CG +4169 C CD . GLU C 108 ? 2.17074 1.47296 1.68207 0.170121 0.229613 -0.0439648 108 GLU C CD +4170 O OE1 . GLU C 108 ? 2.23684 1.54659 1.75527 0.176141 0.232242 -0.0412359 108 GLU C OE1 +4171 O OE2 . GLU C 108 ? 2.07963 1.28442 1.51125 0.183232 0.270841 -0.0391089 108 GLU C OE2 +4172 N N . LYS C 109 ? 1.36065 0.958888 1.09547 0.085869 0.0680689 -0.0766351 109 LYS C N +4173 C CA . LYS C 109 ? 1.41717 1.04181 1.17449 0.0740006 0.0544804 -0.0799808 109 LYS C CA +4174 C C . LYS C 109 ? 1.45515 1.09181 1.24704 0.104205 0.0780782 -0.0664335 109 LYS C C +4175 O O . LYS C 109 ? 1.70604 1.27876 1.45182 0.122471 0.113103 -0.058617 109 LYS C O +4176 C CB . LYS C 109 ? 1.52646 1.07768 1.19756 0.0392002 0.051007 -0.091948 109 LYS C CB +4177 C CG . LYS C 109 ? 1.57207 1.13748 1.25203 0.0196374 0.0390186 -0.0962556 109 LYS C CG +4178 C CD . LYS C 109 ? 1.61113 1.26813 1.36137 0.00248262 0.00160779 -0.0967579 109 LYS C CD +4179 C CE . LYS C 109 ? 1.66242 1.33538 1.42614 -0.0140109 -0.00540785 -0.0985357 109 LYS C CE +4180 N NZ . LYS C 109 ? 1.78131 1.36989 1.45799 -0.0435293 0.00432802 -0.10591 109 LYS C NZ +4181 N N . SER C 110 ? 1.31328 1.02613 1.17915 0.109642 0.0600541 -0.0613333 110 SER C N +4182 C CA . SER C 110 ? 1.17822 0.911231 1.07839 0.1338 0.0742773 -0.0453196 110 SER C CA +4183 C C . SER C 110 ? 1.15932 0.85469 1.02412 0.125102 0.0792025 -0.0512451 110 SER C C +4184 O O . SER C 110 ? 1.0655 0.739575 0.896924 0.0950095 0.0645839 -0.067614 110 SER C O +4185 C CB . SER C 110 ? 1.12072 0.932913 1.09388 0.136563 0.0520532 -0.0376634 110 SER C CB +4186 O OG . SER C 110 ? 1.18878 1.02088 1.17019 0.115966 0.0283291 -0.0504149 110 SER C OG +4187 N N . ASN C 111 ? 1.16913 0.859365 1.04307 0.15179 0.100641 -0.0339677 111 ASN C N +4188 C CA . ASN C 111 ? 1.15572 0.804828 0.993749 0.149249 0.110682 -0.0366288 111 ASN C CA +4189 C C . ASN C 111 ? 1.17901 0.880453 1.05643 0.128885 0.0789482 -0.0458654 111 ASN C C +4190 O O . ASN C 111 ? 1.27083 0.940956 1.11612 0.112392 0.0790943 -0.0556804 111 ASN C O +4191 C CB . ASN C 111 ? 1.17546 0.811293 1.0174 0.189464 0.142936 -0.0100576 111 ASN C CB +4192 C CG . ASN C 111 ? 1.3594 0.931164 1.15481 0.216831 0.185985 0.00358838 111 ASN C CG +4193 O OD1 . ASN C 111 ? 1.42461 0.956741 1.17888 0.202169 0.189121 -0.00986627 111 ASN C OD1 +4194 N ND2 . ASN C 111 ? 1.50063 1.05874 1.29869 0.258902 0.22179 0.0332064 111 ASN C ND2 +4195 N N . GLY C 112 ? 1.11484 0.887801 1.05455 0.128961 0.0549708 -0.042082 112 GLY C N +4196 C CA . GLY C 112 ? 1.08476 0.893163 1.04999 0.11266 0.0315879 -0.0497861 112 GLY C CA +4197 C C . GLY C 112 ? 1.06726 0.900287 1.05911 0.128519 0.0293669 -0.0341393 112 GLY C C +4198 O O . GLY C 112 ? 1.27366 1.11303 1.27767 0.152425 0.0419561 -0.0133494 112 GLY C O +4199 N N . THR C 113 ? 0.958686 0.807251 0.959382 0.115303 0.0135272 -0.0408923 113 THR C N +4200 C CA . THR C 113 ? 0.975153 0.839105 0.988588 0.123833 0.00658684 -0.0277171 113 THR C CA +4201 C C . THR C 113 ? 0.979461 0.823509 0.972884 0.109558 0.00432173 -0.0402295 113 THR C C +4202 O O . THR C 113 ? 0.89158 0.743484 0.888847 0.0932356 -0.0028243 -0.0529734 113 THR C O +4203 C CB . THR C 113 ? 1.00245 0.912592 1.05036 0.121431 -0.0143368 -0.0171831 113 THR C CB +4204 O OG1 . THR C 113 ? 0.956906 0.874694 1.00408 0.120057 -0.0272519 -0.00619078 113 THR C OG1 +4205 C CG2 . THR C 113 ? 1.2579 1.17599 1.30816 0.103506 -0.0261393 -0.03346 113 THR C CG2 +4206 N N . ILE C 114 ? 1.05109 0.868437 1.02321 0.119109 0.0146969 -0.0331133 114 ILE C N +4207 C CA . ILE C 114 ? 1.04319 0.83632 0.993217 0.107559 0.0171061 -0.0424232 114 ILE C CA +4208 C C . ILE C 114 ? 1.06264 0.87479 1.02213 0.10648 -0.00040171 -0.0359923 114 ILE C C +4209 O O . ILE C 114 ? 0.984984 0.807223 0.947774 0.118615 -0.00856206 -0.0181269 114 ILE C O +4210 C CB . ILE C 114 ? 1.13643 0.881545 1.04876 0.1182 0.037942 -0.0376531 114 ILE C CB +4211 C CG1 . ILE C 114 ? 1.344 1.04811 1.22498 0.117177 0.0590589 -0.0433792 114 ILE C CG1 +4212 C CG2 . ILE C 114 ? 1.16588 0.886105 1.05601 0.104367 0.041419 -0.0468334 114 ILE C CG2 +4213 C CD1 . ILE C 114 ? 1.35724 1.05712 1.23021 0.0850147 0.0546295 -0.0629036 114 ILE C CD1 +4214 N N . ILE C 115 ? 1.0577 0.870649 1.01635 0.0916819 -0.00426465 -0.0475659 115 ILE C N +4215 C CA . ILE C 115 ? 1.01388 0.819061 0.957907 0.0880729 -0.0144892 -0.0440052 115 ILE C CA +4216 C C . ILE C 115 ? 1.08502 0.852242 0.998795 0.0859339 -0.00035663 -0.0481712 115 ILE C C +4217 O O . ILE C 115 ? 1.07407 0.835869 0.990734 0.0779656 0.0144331 -0.0577512 115 ILE C O +4218 C CB . ILE C 115 ? 1.03251 0.849936 0.984962 0.079338 -0.0196223 -0.0505167 115 ILE C CB +4219 C CG1 . ILE C 115 ? 1.07882 0.928968 1.0566 0.0800945 -0.0329201 -0.0460611 115 ILE C CG1 +4220 C CG2 . ILE C 115 ? 1.1395 0.924028 1.05442 0.0735179 -0.0230703 -0.0487931 115 ILE C CG2 +4221 C CD1 . ILE C 115 ? 1.1271 0.981634 1.10626 0.0737874 -0.0350278 -0.0517022 115 ILE C CD1 +4222 N N . HIS C 116 ? 1.13888 0.884031 1.02566 0.0920275 -0.00579762 -0.0376391 116 HIS C N +4223 C CA . HIS C 116 ? 1.04862 0.74992 0.898017 0.0902724 0.00728279 -0.0406485 116 HIS C CA +4224 C C . HIS C 116 ? 1.1034 0.781695 0.922605 0.0816894 -7.422e-05 -0.0410576 116 HIS C C +4225 O O . HIS C 116 ? 1.12614 0.798295 0.922758 0.0785744 -0.0218071 -0.0298692 116 HIS C O +4226 C CB . HIS C 116 ? 0.967486 0.64739 0.793849 0.103904 0.00841366 -0.0275174 116 HIS C CB +4227 C CG . HIS C 116 ? 1.01808 0.646571 0.800666 0.102908 0.0239472 -0.0306575 116 HIS C CG +4228 N ND1 . HIS C 116 ? 1.09769 0.698139 0.846593 0.115158 0.0217996 -0.0164668 116 HIS C ND1 +4229 C CD2 . HIS C 116 ? 1.09311 0.694789 0.861915 0.092141 0.0444011 -0.0436678 116 HIS C CD2 +4230 C CE1 . HIS C 116 ? 1.17345 0.723595 0.882905 0.110553 0.0408826 -0.0245234 116 HIS C CE1 +4231 N NE2 . HIS C 116 ? 1.13602 0.687887 0.859051 0.0962655 0.0555908 -0.0402756 116 HIS C NE2 +4232 N N . VAL C 117 ? 1.09416 0.755029 0.907039 0.0771352 0.0197859 -0.0505803 117 VAL C N +4233 C CA . VAL C 117 ? 1.15292 0.768533 0.91834 0.0729522 0.0236036 -0.0502936 117 VAL C CA +4234 C C . VAL C 117 ? 1.322 0.880243 1.03556 0.0743261 0.0375756 -0.0487559 117 VAL C C +4235 O O . VAL C 117 ? 1.58274 1.13404 1.30587 0.0775926 0.0647034 -0.0526681 117 VAL C O +4236 C CB . VAL C 117 ? 1.14082 0.765776 0.926521 0.0755004 0.0454697 -0.0549011 117 VAL C CB +4237 C CG1 . VAL C 117 ? 1.25303 0.820181 0.979781 0.0745928 0.0537355 -0.0534578 117 VAL C CG1 +4238 C CG2 . VAL C 117 ? 1.12137 0.805352 0.96184 0.0755176 0.0343308 -0.0566094 117 VAL C CG2 +4239 N N . LYS C 118 ? 1.40906 0.92541 1.0651 0.0685216 0.0188964 -0.0414284 118 LYS C N +4240 C CA . LYS C 118 ? 1.47615 0.935605 1.07641 0.0703388 0.0270082 -0.0378882 118 LYS C CA +4241 C C . LYS C 118 ? 1.49872 0.878504 1.02664 0.0663201 0.0495325 -0.0417698 118 LYS C C +4242 O O . LYS C 118 ? 1.58501 0.945868 1.09239 0.0604204 0.052027 -0.0444752 118 LYS C O +4243 C CB . LYS C 118 ? 1.48458 0.943894 1.05751 0.0653465 -0.00996631 -0.0218577 118 LYS C CB +4244 C CG . LYS C 118 ? 1.56754 1.08456 1.19554 0.079631 -0.0193617 -0.0113705 118 LYS C CG +4245 C CD . LYS C 118 ? 1.72204 1.20878 1.32894 0.094397 -0.00218701 -0.00699367 118 LYS C CD +4246 C CE . LYS C 118 ? 1.77593 1.23321 1.3302 0.0954472 -0.0244539 0.012781 118 LYS C CE +4247 N NZ . LYS C 118 ? 1.74833 1.26932 1.34045 0.100494 -0.0585664 0.0382569 118 LYS C NZ +4248 N N . GLU D 1 ? 1.51689 1.11066 1.39537 -0.166368 0.108983 -0.0979024 1 GLU D N +4249 C CA . GLU D 1 ? 1.46247 1.08613 1.35909 -0.141435 0.0946149 -0.0904122 1 GLU D CA +4250 C C . GLU D 1 ? 1.43392 1.09289 1.37863 -0.105595 0.086543 -0.0715305 1 GLU D C +4251 O O . GLU D 1 ? 1.25931 0.904285 1.22756 -0.0845483 0.106639 -0.0640366 1 GLU D O +4252 C CB . GLU D 1 ? 1.4678 1.04995 1.34431 -0.139972 0.118879 -0.101115 1 GLU D CB +4253 C CG . GLU D 1 ? 1.46839 1.07877 1.35851 -0.120199 0.1039 -0.0948424 1 GLU D CG +4254 C CD . GLU D 1 ? 1.52759 1.09756 1.40031 -0.117917 0.12994 -0.103389 1 GLU D CD +4255 O OE1 . GLU D 1 ? 1.50277 1.03633 1.38525 -0.105389 0.163026 -0.101551 1 GLU D OE1 +4256 O OE2 . GLU D 1 ? 1.45722 1.03102 1.30857 -0.126952 0.120271 -0.109771 1 GLU D OE2 +4257 N N . VAL D 2 ? 1.38864 1.09582 1.34694 -0.100139 0.0565879 -0.0618427 2 VAL D N +4258 C CA . VAL D 2 ? 1.22713 0.967471 1.22144 -0.0698519 0.0461342 -0.0459369 2 VAL D CA +4259 C C . VAL D 2 ? 1.2663 1.01035 1.26752 -0.0513114 0.045293 -0.0440777 2 VAL D C +4260 O O . VAL D 2 ? 1.40369 1.1474 1.38631 -0.0602243 0.0379994 -0.0512247 2 VAL D O +4261 C CB . VAL D 2 ? 1.11296 0.896169 1.11484 -0.0716764 0.0196163 -0.0366205 2 VAL D CB +4262 C CG1 . VAL D 2 ? 1.03542 0.847992 1.06457 -0.0424803 0.00916656 -0.0228169 2 VAL D CG1 +4263 C CG2 . VAL D 2 ? 1.11383 0.89712 1.11283 -0.091 0.0203033 -0.0355444 2 VAL D CG2 +4264 N N . GLN D 3 ? 1.19798 0.94706 1.22612 -0.0271674 0.0527306 -0.0328398 3 GLN D N +4265 C CA . GLN D 3 ? 1.12457 0.882268 1.16216 -0.0114229 0.0499539 -0.02806 3 GLN D CA +4266 C C . GLN D 3 ? 1.05247 0.842749 1.11465 0.00861428 0.0362677 -0.012955 3 GLN D C +4267 O O . GLN D 3 ? 1.23697 1.03263 1.3162 0.0166535 0.0415615 -0.00334858 3 GLN D O +4268 C CB . GLN D 3 ? 1.12225 0.848402 1.16417 -0.00653021 0.0778933 -0.0278505 3 GLN D CB +4269 C CG . GLN D 3 ? 1.14343 0.829462 1.15209 -0.0281912 0.0945663 -0.0453366 3 GLN D CG +4270 C CD . GLN D 3 ? 1.21679 0.863335 1.22957 -0.0218104 0.130314 -0.0439442 3 GLN D CD +4271 O OE1 . GLN D 3 ? 1.24276 0.856642 1.25256 -0.0265074 0.15544 -0.045886 3 GLN D OE1 +4272 N NE2 . GLN D 3 ? 1.27268 0.922931 1.29538 -0.00923079 0.134261 -0.0380389 3 GLN D NE2 +4273 N N . LEU D 4 ? 0.995136 0.804349 1.05516 0.0144216 0.0195538 -0.0115725 4 LEU D N +4274 C CA . LEU D 4 ? 1.02969 0.863226 1.10418 0.0295062 0.00800915 0.00044311 4 LEU D CA +4275 C C . LEU D 4 ? 0.986984 0.822098 1.06527 0.0346324 0.00776526 0.00343533 4 LEU D C +4276 O O . LEU D 4 ? 1.25426 1.08508 1.31753 0.0285018 0.00181103 -0.00529933 4 LEU D O +4277 C CB . LEU D 4 ? 1.13375 0.98497 1.1974 0.0290978 -0.0107281 -0.00094886 4 LEU D CB +4278 C CG . LEU D 4 ? 1.0951 0.953124 1.16024 0.0262497 -0.0125122 0.00116411 4 LEU D CG +4279 C CD1 . LEU D 4 ? 0.993549 0.868639 1.05062 0.0292493 -0.0271237 0.00330469 4 LEU D CD1 +4280 C CD2 . LEU D 4 ? 1.0773 0.939593 1.16014 0.0356596 -0.00508617 0.0117361 4 LEU D CD2 +4281 N N . LEU D 5 ? 0.93016 0.77511 1.03004 0.0451583 0.0133226 0.0182284 5 LEU D N +4282 C CA . LEU D 5 ? 0.941942 0.793892 1.04888 0.0483973 0.0117683 0.0245776 5 LEU D CA +4283 C C . LEU D 5 ? 1.03293 0.913329 1.14758 0.0532403 -0.00448236 0.0381745 5 LEU D C +4284 O O . LEU D 5 ? 1.38734 1.28317 1.52123 0.0597723 -0.00162716 0.0544815 5 LEU D O +4285 C CB . LEU D 5 ? 0.94435 0.782635 1.07152 0.0537765 0.0365424 0.0337191 5 LEU D CB +4286 C CG . LEU D 5 ? 1.16886 1.01606 1.30923 0.0578643 0.0385541 0.0440934 5 LEU D CG +4287 C CD1 . LEU D 5 ? 1.37148 1.2034 1.48599 0.0481573 0.0329555 0.0257825 5 LEU D CD1 +4288 C CD2 . LEU D 5 ? 1.38992 1.22912 1.55863 0.0680645 0.0661606 0.0609666 5 LEU D CD2 +4289 N N . GLU D 6 ? 0.961011 0.84674 1.05834 0.0482655 -0.0205098 0.0319369 6 GLU D N +4290 C CA . GLU D 6 ? 0.964724 0.870874 1.05952 0.0469526 -0.0356703 0.0415557 6 GLU D CA +4291 C C . GLU D 6 ? 0.986181 0.909057 1.10224 0.0468722 -0.0344961 0.0582166 6 GLU D C +4292 O O . GLU D 6 ? 1.24013 1.15446 1.36683 0.048451 -0.0232585 0.0581279 6 GLU D O +4293 C CB . GLU D 6 ? 1.02958 0.928481 1.09476 0.0406068 -0.0493828 0.0283081 6 GLU D CB +4294 C CG . GLU D 6 ? 1.07341 0.962581 1.12148 0.0424484 -0.0508658 0.0181544 6 GLU D CG +4295 C CD . GLU D 6 ? 1.10473 0.979996 1.14723 0.0409224 -0.0457785 0.00630516 6 GLU D CD +4296 O OE1 . GLU D 6 ? 1.07988 0.951941 1.10953 0.0415081 -0.0490652 0.00107511 6 GLU D OE1 +4297 O OE2 . GLU D 6 ? 1.52165 1.38997 1.57204 0.0383907 -0.0377485 0.00394037 6 GLU D OE2 +4298 N N . SER D 7 ? 0.900234 0.848771 1.0215 0.0436499 -0.0462768 0.0742963 7 SER D N +4299 C CA . SER D 7 ? 0.947153 0.921537 1.08914 0.0400158 -0.0505064 0.0949372 7 SER D CA +4300 C C . SER D 7 ? 1.00289 0.999816 1.12877 0.0271549 -0.0714918 0.103573 7 SER D C +4301 O O . SER D 7 ? 1.1624 1.15036 1.2625 0.0244523 -0.0779227 0.09331 7 SER D O +4302 C CB . SER D 7 ? 0.875318 0.864175 1.05897 0.051931 -0.0323985 0.118353 7 SER D CB +4303 O OG . SER D 7 ? 1.01116 1.0112 1.20239 0.0568975 -0.031381 0.128508 7 SER D OG +4304 N N . GLY D 8 ? 1.04045 1.06497 1.17817 0.0171076 -0.0817069 0.122088 8 GLY D N +4305 C CA . GLY D 8 ? 1.07259 1.12104 1.1926 -0.00085022 -0.102352 0.132999 8 GLY D CA +4306 C C . GLY D 8 ? 1.11448 1.14491 1.19264 -0.0196908 -0.116647 0.114592 8 GLY D C +4307 O O . GLY D 8 ? 1.12631 1.16995 1.18102 -0.0398698 -0.133287 0.120537 8 GLY D O +4308 N N . GLY D 9 ? 1.13384 1.13255 1.19993 -0.0148781 -0.109366 0.0927073 9 GLY D N +4309 C CA . GLY D 9 ? 1.07559 1.05352 1.10561 -0.0301786 -0.118578 0.0764159 9 GLY D CA +4310 C C . GLY D 9 ? 1.12546 1.12325 1.17292 -0.0409708 -0.124984 0.0897807 9 GLY D C +4311 O O . GLY D 9 ? 1.26638 1.29569 1.35573 -0.0348742 -0.121271 0.113467 9 GLY D O +4312 N N . GLY D 10 ? 1.24695 1.22415 1.26409 -0.0552517 -0.131607 0.0755104 10 GLY D N +4313 C CA . GLY D 10 ? 1.23413 1.22958 1.26011 -0.0714566 -0.141137 0.0875737 10 GLY D CA +4314 C C . GLY D 10 ? 1.24715 1.2291 1.22555 -0.100387 -0.156506 0.0787015 10 GLY D C +4315 O O . GLY D 10 ? 1.48661 1.43011 1.42188 -0.102711 -0.153191 0.0562958 10 GLY D O +4316 N N . LEU D 11 ? 1.21257 1.22493 1.19789 -0.123645 -0.171703 0.0974864 11 LEU D N +4317 C CA . LEU D 11 ? 1.32226 1.31637 1.25804 -0.156172 -0.185135 0.0872737 11 LEU D CA +4318 C C . LEU D 11 ? 1.29178 1.30937 1.20584 -0.180606 -0.201799 0.100455 11 LEU D C +4319 O O . LEU D 11 ? 1.33395 1.40534 1.28758 -0.18239 -0.21132 0.131604 11 LEU D O +4320 C CB . LEU D 11 ? 1.34541 1.35631 1.2966 -0.171996 -0.192967 0.0984136 11 LEU D CB +4321 C CG . LEU D 11 ? 1.31661 1.30798 1.21644 -0.210618 -0.206833 0.0889279 11 LEU D CG +4322 C CD1 . LEU D 11 ? 1.30928 1.23125 1.15381 -0.208812 -0.192937 0.052747 11 LEU D CD1 +4323 C CD2 . LEU D 11 ? 1.18647 1.20547 1.11244 -0.225897 -0.215875 0.106247 11 LEU D CD2 +4324 N N . VAL D 12 ? 1.31746 1.29486 1.16828 -0.200214 -0.203891 0.078899 12 VAL D N +4325 C CA . VAL D 12 ? 1.32873 1.32263 1.1471 -0.228508 -0.219753 0.0886153 12 VAL D CA +4326 C C . VAL D 12 ? 1.43115 1.38 1.17524 -0.26621 -0.225055 0.0673257 12 VAL D C +4327 O O . VAL D 12 ? 1.49712 1.38859 1.20947 -0.260325 -0.208974 0.0395855 12 VAL D O +4328 C CB . VAL D 12 ? 1.36696 1.35418 1.18208 -0.207663 -0.21025 0.0846564 12 VAL D CB +4329 C CG1 . VAL D 12 ? 1.44616 1.36813 1.22466 -0.18933 -0.188648 0.0508296 12 VAL D CG1 +4330 C CG2 . VAL D 12 ? 1.37514 1.38543 1.16013 -0.235689 -0.226804 0.098323 12 VAL D CG2 +4331 N N . GLN D 13 ? 1.46826 1.44361 1.18445 -0.306306 -0.246762 0.0822269 13 GLN D N +4332 C CA . GLN D 13 ? 1.56796 1.50037 1.20699 -0.349978 -0.252706 0.063323 13 GLN D CA +4333 C C . GLN D 13 ? 1.64112 1.5086 1.21455 -0.347812 -0.234644 0.0337587 13 GLN D C +4334 O O . GLN D 13 ? 1.57437 1.45424 1.15782 -0.328938 -0.230714 0.0390256 13 GLN D O +4335 C CB . GLN D 13 ? 1.64752 1.63528 1.27711 -0.396496 -0.283566 0.0918195 13 GLN D CB +4336 C CG . GLN D 13 ? 1.78201 1.83173 1.46788 -0.407642 -0.3019 0.123243 13 GLN D CG +4337 C CD . GLN D 13 ? 2.19055 2.20215 1.85047 -0.42752 -0.299607 0.105273 13 GLN D CD +4338 O OE1 . GLN D 13 ? 2.56295 2.52672 2.14768 -0.467529 -0.302352 0.0835999 13 GLN D OE1 +4339 N NE2 . GLN D 13 ? 2.36513 2.39534 2.08528 -0.401 -0.293002 0.114492 13 GLN D NE2 +4340 N N . PRO D 14 ? 1.79441 1.58894 1.29842 -0.366787 -0.22063 0.00320408 14 PRO D N +4341 C CA . PRO D 14 ? 1.90826 1.63858 1.34554 -0.367403 -0.200364 -0.02213 14 PRO D CA +4342 C C . PRO D 14 ? 2.10068 1.85297 1.49817 -0.401339 -0.217984 -0.0111866 14 PRO D C +4343 O O . PRO D 14 ? 2.40018 2.19048 1.7856 -0.443845 -0.24469 0.00586893 14 PRO D O +4344 C CB . PRO D 14 ? 1.83032 1.48154 1.20233 -0.387534 -0.18214 -0.0516607 14 PRO D CB +4345 C CG . PRO D 14 ? 1.91404 1.59817 1.30356 -0.41704 -0.204187 -0.0386941 14 PRO D CG +4346 C CD . PRO D 14 ? 1.87441 1.6412 1.36044 -0.387374 -0.220045 -0.00751134 14 PRO D CD +4347 N N . GLY D 15 ? 2.10407 1.83608 1.4828 -0.383021 -0.203583 -0.0186626 15 GLY D N +4348 C CA . GLY D 15 ? 2.0295 1.78302 1.37245 -0.410209 -0.218147 -0.00752727 15 GLY D CA +4349 C C . GLY D 15 ? 1.91315 1.7515 1.33389 -0.387302 -0.235622 0.0276968 15 GLY D C +4350 O O . GLY D 15 ? 1.86318 1.71882 1.2701 -0.391022 -0.240156 0.0373723 15 GLY D O +4351 N N . GLY D 16 ? 1.84381 1.73129 1.34464 -0.363199 -0.242607 0.0469823 16 GLY D N +4352 C CA . GLY D 16 ? 1.77097 1.73746 1.34837 -0.343364 -0.256478 0.0833298 16 GLY D CA +4353 C C . GLY D 16 ? 1.61917 1.5795 1.23592 -0.293529 -0.235544 0.0795854 16 GLY D C +4354 O O . GLY D 16 ? 1.51575 1.41632 1.10053 -0.275657 -0.212574 0.0513576 16 GLY D O +4355 N N . SER D 17 ? 1.46454 1.48811 1.15255 -0.271911 -0.242482 0.110713 17 SER D N +4356 C CA . SER D 17 ? 1.42081 1.44625 1.14384 -0.232147 -0.226201 0.112057 17 SER D CA +4357 C C . SER D 17 ? 1.37162 1.42666 1.17363 -0.197623 -0.218745 0.126018 17 SER D C +4358 O O . SER D 17 ? 1.41132 1.50912 1.2519 -0.205477 -0.230791 0.148998 17 SER D O +4359 C CB . SER D 17 ? 1.44662 1.51252 1.17002 -0.240448 -0.237196 0.136124 17 SER D CB +4360 O OG . SER D 17 ? 1.49595 1.52315 1.13988 -0.267359 -0.237765 0.118292 17 SER D OG +4361 N N . LEU D 18 ? 1.35332 1.38496 1.17655 -0.161389 -0.198026 0.113116 18 LEU D N +4362 C CA . LEU D 18 ? 1.23224 1.27853 1.11909 -0.129445 -0.186378 0.120172 18 LEU D CA +4363 C C . LEU D 18 ? 1.24587 1.28391 1.15162 -0.0996872 -0.170132 0.116905 18 LEU D C +4364 O O . LEU D 18 ? 1.3015 1.30361 1.16718 -0.0978331 -0.162454 0.0975717 18 LEU D O +4365 C CB . LEU D 18 ? 1.24091 1.24688 1.11776 -0.124013 -0.177017 0.0954199 18 LEU D CB +4366 C CG . LEU D 18 ? 1.27095 1.29259 1.20505 -0.101305 -0.168427 0.103218 18 LEU D CG +4367 C CD1 . LEU D 18 ? 1.29143 1.36365 1.26107 -0.11508 -0.18235 0.133501 18 LEU D CD1 +4368 C CD2 . LEU D 18 ? 1.3384 1.31639 1.25719 -0.0934017 -0.157402 0.0767722 18 LEU D CD2 +4369 N N . ARG D 19 ? 1.236 1.30405 1.2014 -0.0768673 -0.162561 0.13594 19 ARG D N +4370 C CA . ARG D 19 ? 1.13034 1.19099 1.11548 -0.0511395 -0.146896 0.133963 19 ARG D CA +4371 C C . ARG D 19 ? 1.17528 1.22135 1.19661 -0.0270422 -0.129838 0.125462 19 ARG D C +4372 O O . ARG D 19 ? 1.2828 1.35247 1.34614 -0.0208546 -0.126655 0.142626 19 ARG D O +4373 C CB . ARG D 19 ? 1.09031 1.19739 1.10953 -0.0476912 -0.150215 0.16671 19 ARG D CB +4374 C CG . ARG D 19 ? 1.06068 1.16348 1.10848 -0.0212177 -0.132516 0.168816 19 ARG D CG +4375 C CD . ARG D 19 ? 1.1199 1.27386 1.21539 -0.0160299 -0.133263 0.207897 19 ARG D CD +4376 N NE . ARG D 19 ? 1.33969 1.48996 1.46333 0.00758645 -0.115075 0.212907 19 ARG D NE +4377 C CZ . ARG D 19 ? 1.48463 1.66819 1.65745 0.0211452 -0.105676 0.244683 19 ARG D CZ +4378 N NH1 . ARG D 19 ? 1.6185 1.78901 1.80764 0.0400805 -0.0881722 0.243616 19 ARG D NH1 +4379 N NH2 . ARG D 19 ? 1.35942 1.59007 1.56674 0.0159015 -0.112475 0.279772 19 ARG D NH2 +4380 N N . LEU D 20 ? 1.1475 1.15505 1.15106 -0.0145769 -0.117951 0.100617 20 LEU D N +4381 C CA . LEU D 20 ? 1.05068 1.04126 1.07838 0.00346246 -0.103203 0.0898343 20 LEU D CA +4382 C C . LEU D 20 ? 0.997005 0.993449 1.05337 0.0208953 -0.0902615 0.0974263 20 LEU D C +4383 O O . LEU D 20 ? 1.16807 1.16936 1.21503 0.0217528 -0.0914095 0.102 20 LEU D O +4384 C CB . LEU D 20 ? 1.01403 0.965506 1.00945 0.0050898 -0.0987587 0.0629537 20 LEU D CB +4385 C CG . LEU D 20 ? 1.00652 0.94148 0.967726 -0.0113354 -0.107369 0.0518913 20 LEU D CG +4386 C CD1 . LEU D 20 ? 0.947104 0.845321 0.885209 -0.00431783 -0.0982704 0.0301504 20 LEU D CD1 +4387 C CD2 . LEU D 20 ? 1.05965 1.0112 1.04305 -0.0175261 -0.112456 0.0605722 20 LEU D CD2 +4388 N N . SER D 21 ? 0.991673 0.984287 1.07948 0.0331576 -0.07663 0.0980248 21 SER D N +4389 C CA . SER D 21 ? 0.999494 0.990705 1.11286 0.0475158 -0.0610782 0.103323 21 SER D CA +4390 C C . SER D 21 ? 0.987608 0.94911 1.09957 0.0533787 -0.0488585 0.08325 21 SER D C +4391 O O . SER D 21 ? 1.20217 1.15325 1.30865 0.0495586 -0.0495582 0.0738478 21 SER D O +4392 C CB . SER D 21 ? 0.991867 1.01031 1.14747 0.0543012 -0.0525174 0.131337 21 SER D CB +4393 O OG . SER D 21 ? 1.1952 1.22687 1.3653 0.0498088 -0.0550211 0.141373 21 SER D OG +4394 N N . CYS D 22 ? 0.974174 0.924136 1.08995 0.0604796 -0.0386622 0.0780964 22 CYS D N +4395 C CA . CYS D 22 ? 0.952236 0.877505 1.06442 0.0615209 -0.0286098 0.0611117 22 CYS D CA +4396 C C . CYS D 22 ? 0.988705 0.908265 1.12267 0.067969 -0.0112633 0.0672231 22 CYS D C +4397 O O . CYS D 22 ? 1.08373 1.00793 1.21928 0.0714168 -0.0106206 0.0713407 22 CYS D O +4398 C CB . CYS D 22 ? 1.00143 0.915998 1.08601 0.0585252 -0.0370206 0.0457046 22 CYS D CB +4399 S SG . CYS D 22 ? 1.09051 0.987618 1.17435 0.0574779 -0.027632 0.0328693 22 CYS D SG +4400 N N . ALA D 23 ? 1.09779 1.00502 1.24821 0.0697239 0.00535009 0.069077 23 ALA D N +4401 C CA . ALA D 23 ? 1.09468 0.989248 1.26431 0.0751644 0.0270371 0.0753741 23 ALA D CA +4402 C C . ALA D 23 ? 1.06519 0.930906 1.21541 0.0657499 0.0334691 0.0539829 23 ALA D C +4403 O O . ALA D 23 ? 1.22286 1.07798 1.35357 0.0571668 0.0274053 0.0388305 23 ALA D O +4404 C CB . ALA D 23 ? 1.03284 0.925239 1.22955 0.0826977 0.0467803 0.0912318 23 ALA D CB +4405 N N . ALA D 24 ? 0.998932 0.855059 1.1545 0.0657495 0.0444229 0.0547081 24 ALA D N +4406 C CA . ALA D 24 ? 0.988117 0.823347 1.12476 0.0525129 0.0468926 0.0373211 24 ALA D CA +4407 C C . ALA D 24 ? 1.0971 0.900976 1.23965 0.0483567 0.0741481 0.0358708 24 ALA D C +4408 O O . ALA D 24 ? 1.13291 0.936489 1.29908 0.0596357 0.0901611 0.0516031 24 ALA D O +4409 C CB . ALA D 24 ? 1.02475 0.877885 1.15706 0.0525949 0.0321144 0.0383883 24 ALA D CB +4410 N N . SER D 25 ? 1.15359 0.930688 1.27186 0.0301552 0.0792951 0.0173645 25 SER D N +4411 C CA . SER D 25 ? 1.20198 0.940267 1.31334 0.018993 0.105505 0.0103398 25 SER D CA +4412 C C . SER D 25 ? 1.10969 0.834484 1.18869 -0.00767804 0.0973436 -0.00893692 25 SER D C +4413 O O . SER D 25 ? 1.08992 0.832487 1.15402 -0.0152756 0.0756373 -0.0157698 25 SER D O +4414 C CB . SER D 25 ? 1.31943 1.02677 1.43333 0.0235904 0.132743 0.0110018 25 SER D CB +4415 O OG . SER D 25 ? 1.21543 0.908762 1.30212 0.0103352 0.128646 -0.00524709 25 SER D OG +4416 N N . GLY D 26 ? 1.21149 0.904724 1.27921 -0.0237052 0.115684 -0.0161521 26 GLY D N +4417 C CA . GLY D 26 ? 1.24321 0.924768 1.27831 -0.0547145 0.107983 -0.0324321 26 GLY D CA +4418 C C . GLY D 26 ? 1.2047 0.920918 1.24792 -0.0600037 0.0858872 -0.025703 26 GLY D C +4419 O O . GLY D 26 ? 1.31186 1.03368 1.33362 -0.0852705 0.0725619 -0.0335187 26 GLY D O +4420 N N . PHE D 27 ? 1.11153 0.853628 1.18538 -0.0369908 0.0816912 -0.00924484 27 PHE D N +4421 C CA . PHE D 27 ? 1.10796 0.879014 1.19183 -0.0393147 0.0664086 -0.00085507 27 PHE D CA +4422 C C . PHE D 27 ? 1.14934 0.932751 1.26292 -0.0154962 0.0731356 0.0158167 27 PHE D C +4423 O O . PHE D 27 ? 1.25536 1.03535 1.38364 0.00397054 0.0834794 0.0235447 27 PHE D O +4424 C CB . PHE D 27 ? 1.09443 0.904166 1.17612 -0.0371448 0.0385132 0.00246536 27 PHE D CB +4425 C CG . PHE D 27 ? 1.08215 0.91242 1.17616 -0.0109473 0.0293783 0.0104212 27 PHE D CG +4426 C CD1 . PHE D 27 ? 1.06958 0.890446 1.15575 -0.00627093 0.0304344 0.00435134 27 PHE D CD1 +4427 C CD2 . PHE D 27 ? 1.09237 0.949986 1.20243 0.00641379 0.0200363 0.0237685 27 PHE D CD2 +4428 C CE1 . PHE D 27 ? 1.00629 0.845564 1.10057 0.0127111 0.0208646 0.0113927 27 PHE D CE1 +4429 C CE2 . PHE D 27 ? 1.10634 0.978426 1.21947 0.0246408 0.0116812 0.0290755 27 PHE D CE2 +4430 C CZ . PHE D 27 ? 1.07589 0.939345 1.18109 0.0264935 0.0112248 0.022794 27 PHE D CZ +4431 N N . THR D 28 ? 1.14898 0.94995 1.27254 -0.017789 0.0669817 0.0238216 28 THR D N +4432 C CA . THR D 28 ? 1.09304 0.907291 1.24246 0.00379331 0.0727049 0.0404436 28 THR D CA +4433 C C . THR D 28 ? 1.08301 0.931848 1.2397 0.0246883 0.0541233 0.050204 28 THR D C +4434 O O . THR D 28 ? 1.18934 1.0627 1.34546 0.0255553 0.03894 0.0544385 28 THR D O +4435 C CB . THR D 28 ? 0.970193 0.790009 1.12754 -0.00534923 0.0742253 0.0463137 28 THR D CB +4436 O OG1 . THR D 28 ? 1.06969 0.854022 1.21129 -0.0315849 0.0893557 0.0338176 28 THR D OG1 +4437 C CG2 . THR D 28 ? 0.941572 0.766417 1.12415 0.0149917 0.0863396 0.0629735 28 THR D CG2 +4438 N N . PHE D 29 ? 1.00654 0.856193 1.16992 0.0405402 0.0574282 0.0554611 29 PHE D N +4439 C CA . PHE D 29 ? 0.94245 0.817407 1.10371 0.0542818 0.0404791 0.0609934 29 PHE D CA +4440 C C . PHE D 29 ? 0.876867 0.775834 1.04291 0.0640912 0.0314035 0.0721794 29 PHE D C +4441 O O . PHE D 29 ? 0.864264 0.777355 1.01807 0.0667462 0.0172739 0.0705441 29 PHE D O +4442 C CB . PHE D 29 ? 0.952658 0.826898 1.1254 0.0663897 0.048002 0.0698678 29 PHE D CB +4443 C CG . PHE D 29 ? 0.895668 0.792526 1.0615 0.0751422 0.0306329 0.0744987 29 PHE D CG +4444 C CD1 . PHE D 29 ? 0.809939 0.705743 0.956929 0.0693821 0.0182773 0.062253 29 PHE D CD1 +4445 C CD2 . PHE D 29 ? 0.91907 0.836972 1.09489 0.0869234 0.0273152 0.0916618 29 PHE D CD2 +4446 C CE1 . PHE D 29 ? 0.85625 0.767373 0.992974 0.0747218 0.00420268 0.0652627 29 PHE D CE1 +4447 C CE2 . PHE D 29 ? 0.879547 0.814278 1.04201 0.0895508 0.0115156 0.0944371 29 PHE D CE2 +4448 C CZ . PHE D 29 ? 0.811967 0.74101 0.954261 0.0832198 0.00078134 0.0803777 29 PHE D CZ +4449 N N . SER D 30 ? 0.933746 0.834525 1.1168 0.0701851 0.0422477 0.0842077 30 SER D N +4450 C CA . SER D 30 ? 0.945889 0.86759 1.13368 0.081124 0.0371323 0.0968685 30 SER D CA +4451 C C . SER D 30 ? 1.00396 0.933407 1.1879 0.0742918 0.0311842 0.0946048 30 SER D C +4452 O O . SER D 30 ? 1.14726 1.09281 1.33216 0.0841071 0.0277957 0.104445 30 SER D O +4453 C CB . SER D 30 ? 1.05464 0.976108 1.26396 0.0892269 0.0520093 0.112025 30 SER D CB +4454 O OG . SER D 30 ? 1.20972 1.11071 1.42789 0.0776676 0.0666764 0.107704 30 SER D OG +4455 N N . SER D 31 ? 1.05549 0.975077 1.235 0.0566021 0.0306096 0.0838757 31 SER D N +4456 C CA . SER D 31 ? 1.14253 1.07693 1.32278 0.0476713 0.0232609 0.0862984 31 SER D CA +4457 C C . SER D 31 ? 1.12215 1.07184 1.29006 0.0513293 0.00914828 0.0848531 31 SER D C +4458 O O . SER D 31 ? 1.20058 1.16866 1.37363 0.048146 0.00375548 0.0925084 31 SER D O +4459 C CB . SER D 31 ? 1.19122 1.11279 1.36998 0.0222039 0.0268304 0.0782748 31 SER D CB +4460 O OG . SER D 31 ? 1.15265 1.05516 1.34164 0.0172005 0.0435392 0.0799061 31 SER D OG +4461 N N . TYR D 32 ? 1.07056 1.0136 1.22449 0.0575253 0.0044743 0.0772823 32 TYR D N +4462 C CA . TYR D 32 ? 1.08608 1.03806 1.22751 0.0596434 -0.0059274 0.0751199 32 TYR D CA +4463 C C . TYR D 32 ? 1.04375 0.994227 1.17144 0.076257 -0.0079028 0.0760697 32 TYR D C +4464 O O . TYR D 32 ? 0.825882 0.768302 0.94993 0.0806032 -0.00603778 0.074171 32 TYR D O +4465 C CB . TYR D 32 ? 1.15272 1.09508 1.28396 0.0446032 -0.0109059 0.0623949 32 TYR D CB +4466 C CG . TYR D 32 ? 1.15998 1.10009 1.29392 0.021521 -0.0103269 0.0586589 32 TYR D CG +4467 C CD1 . TYR D 32 ? 1.38644 1.34865 1.52414 0.0102227 -0.0191673 0.0663398 32 TYR D CD1 +4468 C CD2 . TYR D 32 ? 1.08688 1.00202 1.21809 0.00959791 0.00038105 0.0489135 32 TYR D CD2 +4469 C CE1 . TYR D 32 ? 1.40437 1.36585 1.53964 -0.0167999 -0.0208684 0.0631806 32 TYR D CE1 +4470 C CE2 . TYR D 32 ? 1.08676 0.992279 1.21189 -0.0159178 0.00288017 0.0428117 32 TYR D CE2 +4471 C CZ . TYR D 32 ? 1.17735 1.10692 1.30259 -0.0311408 -0.00957197 0.049186 32 TYR D CZ +4472 O OH . TYR D 32 ? 1.28267 1.19984 1.39617 -0.0611286 -0.00753314 0.0417599 32 TYR D OH +4473 N N . ALA D 33 ? 1.05449 1.01258 1.17383 0.0838705 -0.0107156 0.0804642 33 ALA D N +4474 C CA . ALA D 33 ? 1.00057 0.949624 1.0981 0.09479 -0.0112274 0.0779777 33 ALA D CA +4475 C C . ALA D 33 ? 0.936201 0.87483 1.02159 0.0879817 -0.0179862 0.0656606 33 ALA D C +4476 O O . ALA D 33 ? 0.988664 0.92981 1.07964 0.0781133 -0.0219508 0.0612685 33 ALA D O +4477 C CB . ALA D 33 ? 1.11066 1.06425 1.203 0.105625 -0.00625325 0.0869476 33 ALA D CB +4478 N N . MET D 34 ? 1.00634 0.934347 1.07389 0.0911354 -0.0198305 0.0609104 34 MET D N +4479 C CA . MET D 34 ? 0.996215 0.915254 1.05344 0.0848836 -0.0259263 0.0507255 34 MET D CA +4480 C C . MET D 34 ? 1.01629 0.923295 1.04656 0.0898827 -0.0262186 0.0477094 34 MET D C +4481 O O . MET D 34 ? 1.13024 1.03229 1.146 0.0965599 -0.0211736 0.0521374 34 MET D O +4482 C CB . MET D 34 ? 1.04672 0.96523 1.10947 0.0808676 -0.027619 0.0500087 34 MET D CB +4483 C CG . MET D 34 ? 1.18335 1.10449 1.27017 0.0762979 -0.0216564 0.0520713 34 MET D CG +4484 S SD . MET D 34 ? 1.13482 1.04853 1.22435 0.0635742 -0.0218315 0.0412199 34 MET D SD +4485 C CE . MET D 34 ? 1.37703 1.28155 1.45794 0.06149 -0.0251835 0.034028 34 MET D CE +4486 N N . SER D 35 ? 1.12307 1.02211 1.14432 0.0856713 -0.0302264 0.0397958 35 SER D N +4487 C CA . SER D 35 ? 1.11541 0.996769 1.10873 0.0881495 -0.0284855 0.0351403 35 SER D CA +4488 C C . SER D 35 ? 0.97951 0.853817 0.963623 0.0787262 -0.0364557 0.0261001 35 SER D C +4489 O O . SER D 35 ? 0.969808 0.852428 0.970853 0.0726566 -0.041477 0.0237288 35 SER D O +4490 C CB . SER D 35 ? 1.22151 1.09985 1.21447 0.0959608 -0.0212926 0.0391105 35 SER D CB +4491 O OG . SER D 35 ? 1.38026 1.26574 1.38142 0.106011 -0.0121437 0.0505992 35 SER D OG +4492 N N . TRP D 36 ? 0.942547 0.798793 0.897084 0.0764293 -0.0358401 0.0212787 36 TRP D N +4493 C CA . TRP D 36 ? 0.998811 0.845458 0.941313 0.0677292 -0.0418001 0.013299 36 TRP D CA +4494 C C . TRP D 36 ? 1.01156 0.837414 0.936528 0.0727832 -0.0334062 0.00921389 36 TRP D C +4495 O O . TRP D 36 ? 1.21673 1.02468 1.12119 0.0796506 -0.0217648 0.0106417 36 TRP D O +4496 C CB . TRP D 36 ? 1.02569 0.867786 0.945796 0.0566591 -0.048186 0.0122475 36 TRP D CB +4497 C CG . TRP D 36 ? 0.975231 0.842298 0.91856 0.0521535 -0.0563727 0.0208291 36 TRP D CG +4498 C CD1 . TRP D 36 ? 1.0199 0.900521 0.969574 0.0540394 -0.0562721 0.030598 36 TRP D CD1 +4499 C CD2 . TRP D 36 ? 1.00623 0.887108 0.970817 0.046421 -0.0631499 0.0230833 36 TRP D CD2 +4500 N NE1 . TRP D 36 ? 1.16285 1.06584 1.13858 0.0506422 -0.0620145 0.0404018 36 TRP D NE1 +4501 C CE2 . TRP D 36 ? 1.15274 1.05561 1.13843 0.0464733 -0.0652359 0.0362469 36 TRP D CE2 +4502 C CE3 . TRP D 36 ? 0.920501 0.797114 0.889373 0.0424908 -0.0656186 0.0170301 36 TRP D CE3 +4503 C CZ2 . TRP D 36 ? 1.16156 1.08117 1.17437 0.0442656 -0.067296 0.044851 36 TRP D CZ2 +4504 C CZ3 . TRP D 36 ? 1.06467 0.956976 1.05757 0.0391633 -0.0686951 0.0235764 36 TRP D CZ3 +4505 C CH2 . TRP D 36 ? 1.23369 1.14667 1.2492 0.040799 -0.068346 0.0379039 36 TRP D CH2 +4506 N N . VAL D 37 ? 0.965894 0.793098 0.899468 0.0703866 -0.0368688 0.00569595 37 VAL D N +4507 C CA . VAL D 37 ? 0.986152 0.795987 0.907339 0.0754098 -0.0287425 0.00435941 37 VAL D CA +4508 C C . VAL D 37 ? 0.970893 0.769705 0.879486 0.0643805 -0.0353875 -0.0046532 37 VAL D C +4509 O O . VAL D 37 ? 0.887638 0.702551 0.812927 0.0570445 -0.0457946 -0.00626068 37 VAL D O +4510 C CB . VAL D 37 ? 0.932269 0.760946 0.879769 0.0830724 -0.0269151 0.0133566 37 VAL D CB +4511 C CG1 . VAL D 37 ? 0.922348 0.738054 0.862568 0.0899409 -0.017818 0.0168273 37 VAL D CG1 +4512 C CG2 . VAL D 37 ? 0.907331 0.751948 0.871211 0.0916243 -0.0219013 0.0246717 37 VAL D CG2 +4513 N N . ARG D 38 ? 1.04564 0.814617 0.924087 0.0628694 -0.0271848 -0.00997673 38 ARG D N +4514 C CA . ARG D 38 ? 1.17657 0.934495 1.04229 0.0506732 -0.0333732 -0.0178674 38 ARG D CA +4515 C C . ARG D 38 ? 1.27093 1.01227 1.13283 0.0574891 -0.023324 -0.0178406 38 ARG D C +4516 O O . ARG D 38 ? 1.18388 0.912978 1.04244 0.0709954 -0.00788386 -0.0116067 38 ARG D O +4517 C CB . ARG D 38 ? 1.17143 0.908504 1.00121 0.0354254 -0.0353985 -0.0248777 38 ARG D CB +4518 C CG . ARG D 38 ? 1.13623 0.83065 0.925311 0.0371715 -0.0169904 -0.0301984 38 ARG D CG +4519 C CD . ARG D 38 ? 1.14682 0.819714 0.893732 0.0146366 -0.0215897 -0.0389601 38 ARG D CD +4520 N NE . ARG D 38 ? 1.2867 0.910347 0.986762 0.0147834 0.00039056 -0.0460477 38 ARG D NE +4521 C CZ . ARG D 38 ? 1.38009 0.977655 1.03244 -0.00524105 0.00135322 -0.0541728 38 ARG D CZ +4522 N NH1 . ARG D 38 ? 1.29256 0.914343 0.941913 -0.0278158 -0.0212818 -0.0536812 38 ARG D NH1 +4523 N NH2 . ARG D 38 ? 1.57513 1.12298 1.18247 -0.00345706 0.0259811 -0.0610036 38 ARG D NH2 +4524 N N . GLN D 39 ? 1.26581 1.00893 1.13129 0.0491953 -0.0309448 -0.0220973 39 GLN D N +4525 C CA . GLN D 39 ? 1.31031 1.0409 1.17475 0.0549956 -0.0225784 -0.020531 39 GLN D CA +4526 C C . GLN D 39 ? 1.39602 1.10828 1.24147 0.0405554 -0.0266525 -0.0296302 39 GLN D C +4527 O O . GLN D 39 ? 1.45195 1.18382 1.3125 0.031533 -0.0402084 -0.0311184 39 GLN D O +4528 C CB . GLN D 39 ? 1.24722 1.00876 1.14442 0.0606257 -0.0288892 -0.0128086 39 GLN D CB +4529 C CG . GLN D 39 ? 1.26563 1.02081 1.16499 0.0675865 -0.0207951 -0.00672765 39 GLN D CG +4530 C CD . GLN D 39 ? 1.24809 1.03622 1.17504 0.0707069 -0.0272254 0.00345569 39 GLN D CD +4531 O OE1 . GLN D 39 ? 1.23217 1.04046 1.17161 0.0618265 -0.0393765 -0.00034368 39 GLN D OE1 +4532 N NE2 . GLN D 39 ? 1.37184 1.16516 1.30732 0.0823072 -0.0176704 0.018089 39 GLN D NE2 +4533 N N . ALA D 40 ? 1.39223 1.06493 1.20408 0.0381204 -0.0127012 -0.0348981 40 ALA D N +4534 C CA . ALA D 40 ? 1.47376 1.12478 1.26316 0.0213781 -0.0153744 -0.0437143 40 ALA D CA +4535 C C . ALA D 40 ? 1.61735 1.27977 1.42883 0.0258563 -0.0175631 -0.039897 40 ALA D C +4536 O O . ALA D 40 ? 1.75994 1.43254 1.59102 0.0426421 -0.00999293 -0.0305398 40 ALA D O +4537 C CB . ALA D 40 ? 1.48432 1.08343 1.22841 0.017244 0.00436958 -0.0511446 40 ALA D CB +4538 N N . PRO D 41 ? 1.71321 1.37795 1.52372 0.0107032 -0.0282001 -0.0444893 41 PRO D N +4539 C CA . PRO D 41 ? 1.55464 1.23123 1.3857 0.0148928 -0.0300506 -0.040544 41 PRO D CA +4540 C C . PRO D 41 ? 1.37634 1.0301 1.20164 0.0288619 -0.0115427 -0.0355635 41 PRO D C +4541 O O . PRO D 41 ? 1.29702 0.910524 1.09237 0.0255657 0.00305555 -0.0405116 41 PRO D O +4542 C CB . PRO D 41 ? 1.61716 1.28968 1.43922 -0.00533096 -0.0400871 -0.0461287 41 PRO D CB +4543 C CG . PRO D 41 ? 1.6879 1.36989 1.50159 -0.019674 -0.0515492 -0.0482579 41 PRO D CG +4544 C CD . PRO D 41 ? 1.73838 1.3987 1.52951 -0.0124328 -0.0397098 -0.0510007 41 PRO D CD +4545 N N . GLY D 42 ? 1.37791 1.05723 1.23066 0.0432671 -0.0111121 -0.024338 42 GLY D N +4546 C CA . GLY D 42 ? 1.37675 1.04684 1.23371 0.0593689 0.0056508 -0.0121634 42 GLY D CA +4547 C C . GLY D 42 ? 1.36678 1.01531 1.21323 0.0739067 0.0259261 -0.00525105 42 GLY D C +4548 O O . GLY D 42 ? 1.65393 1.28222 1.4978 0.0871085 0.0462453 0.00522063 42 GLY D O +4549 N N . LYS D 43 ? 1.3544 1.00694 1.19682 0.0737746 0.0235023 -0.00840235 43 LYS D N +4550 C CA . LYS D 43 ? 1.37694 1.01008 1.21097 0.0890465 0.0446875 -0.00030575 43 LYS D CA +4551 C C . LYS D 43 ? 1.39032 1.06576 1.25569 0.0996509 0.0373862 0.0130747 43 LYS D C +4552 O O . LYS D 43 ? 1.23388 0.94831 1.12295 0.0934392 0.0172116 0.0142684 43 LYS D O +4553 C CB . LYS D 43 ? 1.51086 1.10429 1.30414 0.077399 0.0513996 -0.0162999 43 LYS D CB +4554 C CG . LYS D 43 ? 1.49305 1.04199 1.24764 0.0597771 0.0569656 -0.0315313 43 LYS D CG +4555 C CD . LYS D 43 ? 1.53236 1.03108 1.2646 0.0704039 0.0888409 -0.0281065 43 LYS D CD +4556 C CE . LYS D 43 ? 1.61002 1.05153 1.2853 0.0481633 0.0987631 -0.0479995 43 LYS D CE +4557 N NZ . LYS D 43 ? 1.7584 1.13993 1.40433 0.0537764 0.132321 -0.0486067 43 LYS D NZ +4558 N N . GLY D 44 ? 1.42407 1.08833 1.28703 0.114426 0.0557748 0.0228895 44 GLY D N +4559 C CA . GLY D 44 ? 1.29097 0.993461 1.18281 0.123893 0.0508876 0.0373509 44 GLY D CA +4560 C C . GLY D 44 ? 1.26832 0.977982 1.15275 0.112614 0.0367512 0.024136 44 GLY D C +4561 O O . GLY D 44 ? 1.18283 0.873295 1.04219 0.0972127 0.0289868 0.00602403 44 GLY D O +4562 N N . LEU D 45 ? 1.13944 0.880762 1.04858 0.119971 0.033298 0.0364645 45 LEU D N +4563 C CA . LEU D 45 ? 1.02537 0.77915 0.934765 0.111977 0.0210944 0.0284285 45 LEU D CA +4564 C C . LEU D 45 ? 1.06553 0.787671 0.949501 0.119082 0.0392128 0.0265442 45 LEU D C +4565 O O . LEU D 45 ? 1.37129 1.08062 1.25616 0.13629 0.0615136 0.0404969 45 LEU D O +4566 C CB . LEU D 45 ? 0.968381 0.767958 0.914219 0.114854 0.0108108 0.0430465 45 LEU D CB +4567 C CG . LEU D 45 ? 0.971485 0.800483 0.936974 0.105246 -0.00536058 0.0452949 45 LEU D CG +4568 C CD1 . LEU D 45 ? 0.981075 0.851765 0.977083 0.106681 -0.01123 0.0645052 45 LEU D CD1 +4569 C CD2 . LEU D 45 ? 0.988418 0.818592 0.94806 0.0883489 -0.0218427 0.0269313 45 LEU D CD2 +4570 N N . GLU D 46 ? 1.04519 0.756901 0.90774 0.10601 0.0305981 0.0117319 46 GLU D N +4571 C CA . GLU D 46 ? 1.21152 0.894139 1.04454 0.108631 0.0454876 0.00838044 46 GLU D CA +4572 C C . GLU D 46 ? 1.20849 0.91838 1.05323 0.102742 0.0302339 0.00751054 46 GLU D C +4573 O O . GLU D 46 ? 1.14683 0.870491 0.992722 0.0874003 0.0110277 -0.0013057 46 GLU D O +4574 C CB . GLU D 46 ? 1.44168 1.07773 1.2258 0.0936421 0.0515194 -0.00881681 46 GLU D CB +4575 C CG . GLU D 46 ? 1.76757 1.36554 1.5086 0.091017 0.068077 -0.0152732 46 GLU D CG +4576 C CD . GLU D 46 ? 1.90678 1.4622 1.59322 0.0669612 0.0684588 -0.0339785 46 GLU D CD +4577 O OE1 . GLU D 46 ? 1.78183 1.30453 1.4264 0.0607678 0.0813439 -0.0404246 46 GLU D OE1 +4578 O OE2 . GLU D 46 ? 1.89876 1.45437 1.58241 0.0522514 0.0555309 -0.0416207 46 GLU D OE2 +4579 N N . TRP D 47 ? 1.24373 0.961985 1.09981 0.116282 0.0408336 0.0192841 47 TRP D N +4580 C CA . TRP D 47 ? 1.17275 0.912975 1.03873 0.11261 0.0303195 0.0200612 47 TRP D CA +4581 C C . TRP D 47 ? 1.18904 0.901805 1.01293 0.0997919 0.0306179 0.00723815 47 TRP D C +4582 O O . TRP D 47 ? 1.37233 1.04317 1.15645 0.100093 0.0489303 0.00163278 47 TRP D O +4583 C CB . TRP D 47 ? 1.16032 0.915247 1.04865 0.130439 0.0435251 0.0377244 47 TRP D CB +4584 C CG . TRP D 47 ? 1.10554 0.880037 1.00386 0.128679 0.0364487 0.0402338 47 TRP D CG +4585 C CD1 . TRP D 47 ? 1.12151 0.934221 1.05487 0.124641 0.0204913 0.0454308 47 TRP D CD1 +4586 C CD2 . TRP D 47 ? 0.977401 0.731472 0.848833 0.131114 0.0480125 0.0387823 47 TRP D CD2 +4587 N NE1 . TRP D 47 ? 1.09544 0.913958 1.02875 0.125583 0.0211273 0.0480307 47 TRP D NE1 +4588 C CE2 . TRP D 47 ? 1.00193 0.787345 0.898339 0.129853 0.0369343 0.04473 47 TRP D CE2 +4589 C CE3 . TRP D 47 ? 1.06844 0.777732 0.893918 0.132905 0.0682111 0.032638 47 TRP D CE3 +4590 C CZ2 . TRP D 47 ? 1.08692 0.865237 0.967448 0.131738 0.043664 0.0464451 47 TRP D CZ2 +4591 C CZ3 . TRP D 47 ? 1.22184 0.921936 1.02726 0.133174 0.0752224 0.0330202 47 TRP D CZ3 +4592 C CH2 . TRP D 47 ? 1.18204 0.918601 1.01619 0.133197 0.062164 0.0406142 47 TRP D CH2 +4593 N N . VAL D 48 ? 1.10789 0.843645 0.939381 0.0873945 0.0115951 0.00401416 48 VAL D N +4594 C CA . VAL D 48 ? 1.1564 0.877233 0.951791 0.0706369 0.00597958 -0.00457449 48 VAL D CA +4595 C C . VAL D 48 ? 1.0757 0.80599 0.870347 0.0748319 0.00877011 0.00227521 48 VAL D C +4596 O O . VAL D 48 ? 1.2494 0.950677 1.0029 0.0707951 0.020339 -0.00164863 48 VAL D O +4597 C CB . VAL D 48 ? 1.14628 0.88761 0.950469 0.0528478 -0.01639 -0.00876354 48 VAL D CB +4598 C CG1 . VAL D 48 ? 1.17963 0.919435 0.953971 0.0333534 -0.0262755 -0.0110055 48 VAL D CG1 +4599 C CG2 . VAL D 48 ? 1.10485 0.831601 0.903541 0.0478615 -0.0170218 -0.0161296 48 VAL D CG2 +4600 N N . SER D 49 ? 1.00664 0.774183 0.84277 0.0810488 -0.00066604 0.011819 49 SER D N +4601 C CA . SER D 49 ? 1.17181 0.950904 1.01071 0.0847839 0.00121722 0.019587 49 SER D CA +4602 C C . SER D 49 ? 1.13178 0.946435 1.02031 0.0941686 -0.00405999 0.0302068 49 SER D C +4603 O O . SER D 49 ? 1.18063 1.01141 1.09691 0.0931259 -0.0121317 0.0297962 49 SER D O +4604 C CB . SER D 49 ? 1.23783 1.02159 1.05549 0.0677409 -0.0110812 0.0179087 49 SER D CB +4605 O OG . SER D 49 ? 1.52617 1.33539 1.36903 0.058188 -0.0289856 0.0187646 49 SER D OG +4606 N N . ALA D 50 ? 1.09086 0.914438 0.986372 0.101606 0.00187957 0.0391997 50 ALA D N +4607 C CA . ALA D 50 ? 1.02796 0.88108 0.965978 0.108111 -0.00102671 0.0492984 50 ALA D CA +4608 C C . ALA D 50 ? 0.944935 0.810103 0.885923 0.107699 -0.00224143 0.0566367 50 ALA D C +4609 O O . ALA D 50 ? 0.969638 0.819986 0.879833 0.107876 0.00452239 0.0572325 50 ALA D O +4610 C CB . ALA D 50 ? 1.02206 0.878171 0.976689 0.121927 0.0113965 0.0584118 50 ALA D CB +4611 N N . ILE D 51 ? 0.912154 0.801971 0.888772 0.106634 -0.00895816 0.0625897 51 ILE D N +4612 C CA . ILE D 51 ? 0.933993 0.838082 0.920731 0.107289 -0.00941476 0.0721234 51 ILE D CA +4613 C C . ILE D 51 ? 0.935101 0.856292 0.959543 0.112755 -0.00556975 0.0801728 51 ILE D C +4614 O O . ILE D 51 ? 0.873698 0.800433 0.91864 0.108867 -0.00870545 0.0767644 51 ILE D O +4615 C CB . ILE D 51 ? 0.88119 0.795395 0.869227 0.0967436 -0.0208644 0.0730442 51 ILE D CB +4616 C CG1 . ILE D 51 ? 0.917681 0.848826 0.916298 0.0986072 -0.0201881 0.086991 51 ILE D CG1 +4617 C CG2 . ILE D 51 ? 0.829096 0.751197 0.844789 0.0924123 -0.0263588 0.0694021 51 ILE D CG2 +4618 C CD1 . ILE D 51 ? 0.932491 0.87897 0.931345 0.0891538 -0.0305624 0.0947321 51 ILE D CD1 +4619 N N . SER D 52 ? 0.984543 0.91288 1.01484 0.11965 0.00153926 0.0908673 52 SER D N +4620 C CA . SER D 52 ? 1.00317 0.946711 1.067 0.122555 0.00575161 0.0993579 52 SER D CA +4621 C C . SER D 52 ? 0.985152 0.937354 1.07313 0.114763 0.00127221 0.0995186 52 SER D C +4622 O O . SER D 52 ? 1.2131 1.16457 1.29525 0.111054 -0.00371402 0.0981139 52 SER D O +4623 C CB . SER D 52 ? 1.01918 0.96701 1.08277 0.132645 0.0160164 0.111649 52 SER D CB +4624 O OG . SER D 52 ? 1.11954 1.06892 1.17172 0.132398 0.0151631 0.116377 52 SER D OG +4625 N N . GLY D 53 A 0.960666 0.920247 1.07537 0.111434 0.00475426 0.102806 52 GLY D N +4626 C CA . GLY D 53 A 0.943714 0.903137 1.07936 0.104354 0.00698708 0.102814 52 GLY D CA +4627 C C . GLY D 53 A 0.90666 0.871583 1.04935 0.110503 0.0115177 0.114304 52 GLY D C +4628 O O . GLY D 53 A 0.966229 0.929054 1.12292 0.107836 0.0148376 0.11624 52 GLY D O +4629 N N . SER D 54 ? 0.934035 0.906173 1.06689 0.11919 0.0132684 0.123849 53 SER D N +4630 C CA . SER D 54 ? 0.994483 0.97695 1.13218 0.124558 0.0163133 0.138212 53 SER D CA +4631 C C . SER D 54 ? 0.932856 0.918668 1.04389 0.122892 0.00702552 0.139317 53 SER D C +4632 O O . SER D 54 ? 0.889747 0.889746 1.00688 0.123659 0.00589229 0.153258 53 SER D O +4633 C CB . SER D 54 ? 1.11588 1.10464 1.2553 0.132664 0.0238168 0.148924 53 SER D CB +4634 O OG . SER D 54 ? 1.03191 1.01512 1.13946 0.136978 0.0226822 0.146079 53 SER D OG +4635 N N . GLY D 55 ? 0.96416 0.937832 1.04508 0.119527 0.00099386 0.126673 54 GLY D N +4636 C CA . GLY D 55 ? 1.01839 0.990479 1.06648 0.113127 -0.0079633 0.125165 54 GLY D CA +4637 C C . GLY D 55 ? 1.12697 1.09237 1.14032 0.115396 -0.00413327 0.128233 54 GLY D C +4638 O O . GLY D 55 ? 1.18436 1.14268 1.16033 0.106096 -0.0105611 0.124762 54 GLY D O +4639 N N . GLY D 56 ? 1.17269 1.13775 1.1954 0.125924 0.00733586 0.134097 55 GLY D N +4640 C CA . GLY D 56 ? 1.20644 1.16347 1.19763 0.13005 0.0152294 0.138901 55 GLY D CA +4641 C C . GLY D 56 ? 1.22223 1.14928 1.17138 0.130351 0.0222778 0.125606 55 GLY D C +4642 O O . GLY D 56 ? 1.38123 1.29097 1.28558 0.127092 0.0277803 0.124136 55 GLY D O +4643 N N . SER D 57 ? 1.17275 1.09144 1.13434 0.13328 0.0236684 0.116318 56 SER D N +4644 C CA . SER D 57 ? 1.182 1.07204 1.11145 0.136462 0.0337339 0.106467 56 SER D CA +4645 C C . SER D 57 ? 1.1475 1.02717 1.06399 0.125221 0.0229111 0.0925612 56 SER D C +4646 O O . SER D 57 ? 1.06926 0.963786 1.0182 0.122998 0.0136036 0.0906032 56 SER D O +4647 C CB . SER D 57 ? 1.16504 1.05879 1.12273 0.151262 0.0465222 0.11346 56 SER D CB +4648 O OG . SER D 57 ? 1.04194 0.950469 1.01892 0.160247 0.0546558 0.128049 56 SER D OG +4649 N N . THR D 58 ? 1.25416 1.10629 1.12024 0.116192 0.0249936 0.0827004 57 THR D N +4650 C CA . THR D 58 ? 1.20431 1.0419 1.05376 0.105474 0.0173994 0.0693979 57 THR D CA +4651 C C . THR D 58 ? 1.07871 0.874931 0.888578 0.110136 0.036197 0.0600909 57 THR D C +4652 O O . THR D 58 ? 1.0921 0.864064 0.865513 0.112675 0.0520101 0.0605268 57 THR D O +4653 C CB . THR D 58 ? 1.23383 1.07909 1.06241 0.0849765 -0.00012077 0.067242 57 THR D CB +4654 O OG1 . THR D 58 ? 1.20505 1.02741 0.977041 0.0728891 0.00424489 0.0639893 57 THR D OG1 +4655 C CG2 . THR D 58 ? 1.19215 1.0777 1.0646 0.0844621 -0.0133214 0.0811362 57 THR D CG2 +4656 N N . TYR D 59 ? 1.0651 0.852664 0.883108 0.111715 0.0362145 0.0528729 58 TYR D N +4657 C CA . TYR D 59 ? 1.20608 0.953905 0.992766 0.117149 0.0553136 0.045393 58 TYR D CA +4658 C C . TYR D 59 ? 1.3028 1.03504 1.06711 0.100649 0.0446997 0.0311129 58 TYR D C +4659 O O . TYR D 59 ? 1.2823 1.0419 1.07494 0.0926722 0.0244146 0.0302369 58 TYR D O +4660 C CB . TYR D 59 ? 1.17317 0.931675 0.999979 0.138156 0.0678265 0.0568061 58 TYR D CB +4661 C CG . TYR D 59 ? 1.12979 0.910451 0.984309 0.151623 0.0750681 0.0729014 58 TYR D CG +4662 C CD1 . TYR D 59 ? 1.13675 0.893061 0.966851 0.163831 0.0997339 0.0792242 58 TYR D CD1 +4663 C CD2 . TYR D 59 ? 1.09848 0.920508 0.999765 0.150612 0.0590212 0.081211 58 TYR D CD2 +4664 C CE1 . TYR D 59 ? 1.08866 0.865753 0.943383 0.175328 0.106245 0.0946528 58 TYR D CE1 +4665 C CE2 . TYR D 59 ? 1.14232 0.983231 1.06695 0.160311 0.065211 0.0955291 58 TYR D CE2 +4666 C CZ . TYR D 59 ? 1.12286 0.943792 1.02604 0.173014 0.0877593 0.102942 58 TYR D CZ +4667 O OH . TYR D 59 ? 1.36057 1.20227 1.28962 0.182774 0.0938509 0.118479 58 TYR D OH +4668 N N . TYR D 60 ? 1.44423 1.12895 1.15635 0.0955051 0.0611724 0.0201338 59 TYR D N +4669 C CA . TYR D 60 ? 1.52677 1.19122 1.21213 0.0780032 0.0535045 0.0062239 59 TYR D CA +4670 C C . TYR D 60 ? 1.59853 1.21793 1.26168 0.0883072 0.0793836 0.00060869 59 TYR D C +4671 O O . TYR D 60 ? 1.77281 1.36395 1.42067 0.104212 0.1071 0.00523334 59 TYR D O +4672 C CB . TYR D 60 ? 1.47899 1.12863 1.11173 0.0500571 0.0431201 -0.00313448 59 TYR D CB +4673 C CG . TYR D 60 ? 1.40727 1.10586 1.06632 0.0403349 0.0177518 0.00718064 59 TYR D CG +4674 C CD1 . TYR D 60 ? 1.27609 1.01044 0.968175 0.0305595 -0.0062804 0.0102597 59 TYR D CD1 +4675 C CD2 . TYR D 60 ? 1.34483 1.05358 0.998378 0.0432082 0.0208217 0.0162863 59 TYR D CD2 +4676 C CE1 . TYR D 60 ? 1.24498 1.02264 0.964432 0.0245812 -0.0247713 0.0234268 59 TYR D CE1 +4677 C CE2 . TYR D 60 ? 1.35615 1.10992 1.03713 0.0365999 0.00040882 0.0290142 59 TYR D CE2 +4678 C CZ . TYR D 60 ? 1.36503 1.15319 1.08023 0.0280038 -0.0214902 0.0334504 59 TYR D CZ +4679 O OH . TYR D 60 ? 1.36657 1.19794 1.11177 0.0242421 -0.0371646 0.0496664 59 TYR D OH +4680 N N . ALA D 61 ? 1.4883 1.10175 1.15267 0.0805368 0.0719894 -0.00724889 60 ALA D N +4681 C CA . ALA D 61 ? 1.50515 1.07367 1.14627 0.0877757 0.0962298 -0.0124962 60 ALA D CA +4682 C C . ALA D 61 ? 1.67627 1.18496 1.24119 0.0683877 0.111927 -0.0288086 60 ALA D C +4683 O O . ALA D 61 ? 1.74092 1.25424 1.27653 0.0424057 0.0929689 -0.037021 60 ALA D O +4684 C CB . ALA D 61 ? 1.56078 1.14411 1.22656 0.0833502 0.0814235 -0.0155123 60 ALA D CB +4685 N N . ASP D 62 ? 1.74773 1.20142 1.28188 0.0798477 0.146861 -0.0317958 61 ASP D N +4686 C CA . ASP D 62 ? 1.76331 1.14722 1.21716 0.0605835 0.168682 -0.0494873 61 ASP D CA +4687 C C . ASP D 62 ? 1.83381 1.21296 1.256 0.0246575 0.14345 -0.0661816 61 ASP D C +4688 O O . ASP D 62 ? 1.8346 1.19268 1.20019 -0.00460336 0.137256 -0.0779899 61 ASP D O +4689 C CB . ASP D 62 ? 1.69862 1.02563 1.13519 0.0843124 0.214839 -0.0460983 61 ASP D CB +4690 C CG . ASP D 62 ? 1.71123 1.03 1.15366 0.110678 0.243866 -0.0314247 61 ASP D CG +4691 O OD1 . ASP D 62 ? 1.64795 0.977662 1.0732 0.101334 0.235016 -0.032968 61 ASP D OD1 +4692 O OD2 . ASP D 62 ? 1.65258 0.957589 1.12009 0.141226 0.275469 -0.0155606 61 ASP D OD2 +4693 N N . SER D 63 ? 1.85432 1.25851 1.31409 0.0249353 0.126771 -0.0650325 62 SER D N +4694 C CA . SER D 63 ? 1.83967 1.23742 1.27277 -0.00720959 0.106458 -0.0785598 62 SER D CA +4695 C C . SER D 63 ? 1.73391 1.17957 1.17117 -0.033521 0.0688834 -0.0771501 62 SER D C +4696 O O . SER D 63 ? 1.64783 1.08256 1.04502 -0.0673935 0.0543282 -0.0871521 62 SER D O +4697 C CB . SER D 63 ? 1.65496 1.06858 1.13029 0.00283048 0.100572 -0.0753934 62 SER D CB +4698 O OG . SER D 63 ? 1.45572 0.927113 1.00394 0.0285982 0.0887375 -0.0583332 62 SER D OG +4699 N N . VAL D 64 ? 1.71711 1.21732 1.20404 -0.018816 0.0538194 -0.062351 63 VAL D N +4700 C CA . VAL D 64 ? 1.70409 1.25657 1.20945 -0.0376613 0.0202797 -0.0552296 63 VAL D CA +4701 C C . VAL D 64 ? 1.72813 1.28452 1.20619 -0.0459979 0.0194091 -0.051049 63 VAL D C +4702 O O . VAL D 64 ? 1.82682 1.42979 1.32321 -0.0590038 -0.0061773 -0.0405597 63 VAL D O +4703 C CB . VAL D 64 ? 1.58758 1.20117 1.17128 -0.0189126 0.00166059 -0.0408757 63 VAL D CB +4704 C CG1 . VAL D 64 ? 1.595 1.20765 1.20244 -0.0142098 -9.35e-06 -0.0445761 63 VAL D CG1 +4705 C CG2 . VAL D 64 ? 1.51557 1.14791 1.13836 0.0106572 0.0124482 -0.02952 63 VAL D CG2 +4706 N N . LYS D 65 ? 1.78307 1.2912 1.21834 -0.0380255 0.0487352 -0.0571736 64 LYS D N +4707 C CA . LYS D 65 ? 1.80643 1.31596 1.21408 -0.0440342 0.050689 -0.0528981 64 LYS D CA +4708 C C . LYS D 65 ? 1.81189 1.31895 1.16324 -0.0870505 0.0307951 -0.0588016 64 LYS D C +4709 O O . LYS D 65 ? 2.01175 1.4777 1.31034 -0.113346 0.0337479 -0.0740816 64 LYS D O +4710 C CB . LYS D 65 ? 1.80833 1.25943 1.1752 -0.0276954 0.0904823 -0.0586852 64 LYS D CB +4711 C CG . LYS D 65 ? 1.741 1.21519 1.16626 0.012088 0.104803 -0.0430093 64 LYS D CG +4712 C CD . LYS D 65 ? 1.90917 1.32509 1.30152 0.0321278 0.148522 -0.045061 64 LYS D CD +4713 C CE . LYS D 65 ? 1.95948 1.40833 1.40482 0.0642576 0.157275 -0.0256952 64 LYS D CE +4714 N NZ . LYS D 65 ? 2.18354 1.57786 1.5876 0.0787088 0.198859 -0.0255053 64 LYS D NZ +4715 N N . GLY D 66 ? 1.65955 1.21248 1.02267 -0.0954399 0.0105101 -0.0446855 65 GLY D N +4716 C CA . GLY D 66 ? 1.69633 1.25557 1.00693 -0.137392 -0.00968489 -0.0445883 65 GLY D CA +4717 C C . GLY D 66 ? 1.71955 1.33285 1.06534 -0.15747 -0.0447936 -0.0337003 65 GLY D C +4718 O O . GLY D 66 ? 1.80368 1.4492 1.13085 -0.188484 -0.0688395 -0.022697 65 GLY D O +4719 N N . ARG D 67 ? 1.6694 1.29612 1.06785 -0.139752 -0.0475148 -0.033836 66 ARG D N +4720 C CA . ARG D 67 ? 1.60999 1.27982 1.03898 -0.157452 -0.0755942 -0.0245368 66 ARG D CA +4721 C C . ARG D 67 ? 1.54809 1.28048 1.06625 -0.129913 -0.0885167 -0.0046292 66 ARG D C +4722 O O . ARG D 67 ? 1.54128 1.32493 1.09107 -0.142929 -0.112738 0.012988 66 ARG D O +4723 C CB . ARG D 67 ? 1.5116 1.13797 0.918508 -0.164867 -0.0664263 -0.0429146 66 ARG D CB +4724 C CG . ARG D 67 ? 1.4872 1.044 0.801022 -0.195907 -0.0509403 -0.0641137 66 ARG D CG +4725 C CD . ARG D 67 ? 1.50834 1.02839 0.807876 -0.204441 -0.0441718 -0.0791511 66 ARG D CD +4726 N NE . ARG D 67 ? 1.4755 0.982611 0.821054 -0.16444 -0.0240337 -0.0824091 66 ARG D NE +4727 C CZ . ARG D 67 ? 1.50754 1.04598 0.907378 -0.154199 -0.036373 -0.0765912 66 ARG D CZ +4728 N NH1 . ARG D 67 ? 1.44136 1.0218 0.857369 -0.178573 -0.0655131 -0.0675289 66 ARG D NH1 +4729 N NH2 . ARG D 67 ? 1.52668 1.05695 0.965542 -0.119937 -0.0192999 -0.0775598 66 ARG D NH2 +4730 N N . PHE D 68 ? 1.48474 1.21153 1.04186 -0.0935921 -0.0709804 -0.00636065 67 PHE D N +4731 C CA . PHE D 68 ? 1.48836 1.26338 1.12209 -0.0693711 -0.0789282 0.00858526 67 PHE D CA +4732 C C . PHE D 68 ? 1.45116 1.2507 1.10971 -0.0522709 -0.0755494 0.0222117 67 PHE D C +4733 O O . PHE D 68 ? 1.54488 1.31519 1.17185 -0.0458553 -0.0589633 0.0161202 67 PHE D O +4734 C CB . PHE D 68 ? 1.45544 1.21016 1.11513 -0.0457837 -0.0643968 -0.00204722 67 PHE D CB +4735 C CG . PHE D 68 ? 1.45315 1.19626 1.10859 -0.0573365 -0.0698124 -0.0108892 67 PHE D CG +4736 C CD1 . PHE D 68 ? 1.46532 1.19568 1.07609 -0.0897708 -0.0804087 -0.016018 67 PHE D CD1 +4737 C CD2 . PHE D 68 ? 1.41595 1.16044 1.10993 -0.0375257 -0.0641406 -0.0137146 67 PHE D CD2 +4738 C CE1 . PHE D 68 ? 1.48805 1.20768 1.09721 -0.0997731 -0.084419 -0.0233922 67 PHE D CE1 +4739 C CE2 . PHE D 68 ? 1.38218 1.11627 1.07313 -0.0468745 -0.068082 -0.0208856 67 PHE D CE2 +4740 C CZ . PHE D 68 ? 1.41219 1.13244 1.06139 -0.0769335 -0.0772921 -0.0260225 67 PHE D CZ +4741 N N . THR D 69 ? 1.37247 1.22287 1.08879 -0.0434218 -0.0882173 0.0412791 68 THR D N +4742 C CA . THR D 69 ? 1.32854 1.20264 1.07466 -0.0261527 -0.0839591 0.0552437 68 THR D CA +4743 C C . THR D 69 ? 1.32292 1.22102 1.13501 -0.00276726 -0.0814964 0.0621619 68 THR D C +4744 O O . THR D 69 ? 1.21075 1.1394 1.05797 -0.00587932 -0.0927498 0.0735317 68 THR D O +4745 C CB . THR D 69 ? 1.30039 1.21267 1.04323 -0.0439272 -0.100457 0.0761541 68 THR D CB +4746 O OG1 . THR D 69 ? 1.36753 1.24754 1.03974 -0.0652484 -0.0980556 0.0657317 68 THR D OG1 +4747 C CG2 . THR D 69 ? 1.21505 1.15786 0.997492 -0.0256097 -0.0968577 0.0947028 68 THR D CG2 +4748 N N . ILE D 70 ? 1.27907 1.16408 1.1063 0.018917 -0.0658389 0.0574291 69 ILE D N +4749 C CA . ILE D 70 ? 1.1781 1.08165 1.06024 0.0369043 -0.0624028 0.0626453 69 ILE D CA +4750 C C . ILE D 70 ? 1.21581 1.1481 1.12753 0.044673 -0.061911 0.0808336 69 ILE D C +4751 O O . ILE D 70 ? 1.23885 1.16684 1.13287 0.0475867 -0.0559952 0.0844911 69 ILE D O +4752 C CB . ILE D 70 ? 1.16101 1.04067 1.04753 0.0522734 -0.048385 0.050342 69 ILE D CB +4753 C CG1 . ILE D 70 ? 1.07177 0.969069 1.00773 0.0633703 -0.0473154 0.0538775 69 ILE D CG1 +4754 C CG2 . ILE D 70 ? 1.27998 1.1427 1.14691 0.0622819 -0.0340193 0.0501467 69 ILE D CG2 +4755 C CD1 . ILE D 70 ? 0.990401 0.871892 0.931449 0.0727871 -0.0386376 0.044355 69 ILE D CD1 +4756 N N . SER D 71 ? 1.19585 1.15542 1.15231 0.0483579 -0.0658583 0.0932507 70 SER D N +4757 C CA . SER D 71 ? 1.10654 1.09303 1.097 0.0564976 -0.062975 0.113083 70 SER D CA +4758 C C . SER D 71 ? 1.05039 1.04147 1.08755 0.068408 -0.0542016 0.11504 70 SER D C +4759 O O . SER D 71 ? 1.29271 1.2709 1.33363 0.0675655 -0.0537099 0.102471 70 SER D O +4760 C CB . SER D 71 ? 1.15374 1.17181 1.14543 0.0442814 -0.0754319 0.133989 70 SER D CB +4761 O OG . SER D 71 ? 1.29143 1.31835 1.2884 0.0336098 -0.0853159 0.13508 70 SER D OG +4762 N N . ARG D 72 ? 0.951962 0.958078 1.02106 0.0781881 -0.0457588 0.130348 71 ARG D N +4763 C CA . ARG D 72 ? 0.995445 0.998058 1.10254 0.0868841 -0.0335005 0.130933 71 ARG D CA +4764 C C . ARG D 72 ? 1.02064 1.04429 1.16335 0.0949057 -0.0244108 0.155103 71 ARG D C +4765 O O . ARG D 72 ? 1.02827 1.06745 1.16809 0.0969203 -0.0260004 0.169103 71 ARG D O +4766 C CB . ARG D 72 ? 0.922799 0.902699 1.02907 0.0919572 -0.0243398 0.114498 71 ARG D CB +4767 C CG . ARG D 72 ? 0.866247 0.847769 0.97269 0.0988201 -0.0180621 0.119959 71 ARG D CG +4768 C CD . ARG D 72 ? 0.8616 0.826127 0.96234 0.100439 -0.0135036 0.105464 71 ARG D CD +4769 N NE . ARG D 72 ? 0.858888 0.814966 0.983007 0.0983247 -0.00578506 0.0996906 71 ARG D NE +4770 C CZ . ARG D 72 ? 0.816508 0.76165 0.937466 0.0939972 -0.00527574 0.0872648 71 ARG D CZ +4771 N NH1 . ARG D 72 ? 0.854257 0.796708 0.955258 0.0948721 -0.0106482 0.0810051 71 ARG D NH1 +4772 N NH2 . ARG D 72 ? 0.731245 0.667405 0.867456 0.0875443 0.00168233 0.0821887 71 ARG D NH2 +4773 N N . ASP D 73 ? 1.10409 1.12555 1.27932 0.0997918 -0.012496 0.160435 72 ASP D N +4774 C CA . ASP D 73 ? 1.05274 1.08769 1.2666 0.109946 0.00267121 0.184258 72 ASP D CA +4775 C C . ASP D 73 ? 0.966482 0.970651 1.195 0.114713 0.0229906 0.171699 72 ASP D C +4776 O O . ASP D 73 ? 0.946666 0.932051 1.17946 0.112355 0.0307903 0.161062 72 ASP D O +4777 C CB . ASP D 73 ? 0.972652 1.03148 1.21111 0.110655 0.00234614 0.20625 72 ASP D CB +4778 C CG . ASP D 73 ? 1.074 1.15686 1.35533 0.122838 0.0172408 0.240457 72 ASP D CG +4779 O OD1 . ASP D 73 ? 0.961087 1.03534 1.25496 0.131591 0.0316641 0.244777 72 ASP D OD1 +4780 O OD2 . ASP D 73 ? 1.35304 1.46573 1.65692 0.123483 0.014517 0.265368 72 ASP D OD2 +4781 N N . ASN D 74 ? 0.904738 0.901907 1.13643 0.118692 0.031098 0.17151 73 ASN D N +4782 C CA . ASN D 74 ? 0.981425 0.947692 1.2186 0.116672 0.0472507 0.156517 73 ASN D CA +4783 C C . ASN D 74 ? 0.998697 0.953702 1.26814 0.123536 0.0721472 0.170306 73 ASN D C +4784 O O . ASN D 74 ? 1.05599 0.978252 1.32511 0.118063 0.0881963 0.155935 73 ASN D O +4785 C CB . ASN D 74 ? 1.03631 0.998602 1.26685 0.116281 0.0478201 0.151866 73 ASN D CB +4786 C CG . ASN D 74 ? 0.975051 0.939574 1.17505 0.11081 0.030257 0.136754 73 ASN D CG +4787 O OD1 . ASN D 74 ? 0.867088 0.827327 1.0484 0.104964 0.0195206 0.123703 73 ASN D OD1 +4788 N ND2 . ASN D 74 ? 1.20497 1.17516 1.40067 0.113893 0.0295032 0.139909 73 ASN D ND2 +4789 N N . SER D 75 ? 1.06518 1.04652 1.36121 0.134707 0.0770251 0.199726 74 SER D N +4790 C CA . SER D 75 ? 1.19127 1.16411 1.5229 0.145212 0.104504 0.218935 74 SER D CA +4791 C C . SER D 75 ? 1.23577 1.19509 1.56898 0.143083 0.110734 0.212672 74 SER D C +4792 O O . SER D 75 ? 1.36831 1.29891 1.71854 0.148114 0.139334 0.215031 74 SER D O +4793 C CB . SER D 75 ? 1.18775 1.20035 1.55081 0.158152 0.106265 0.257118 74 SER D CB +4794 O OG . SER D 75 ? 1.10467 1.15707 1.46122 0.154145 0.0810202 0.269304 74 SER D OG +4795 N N . LYS D 76 ? 1.28727 1.26404 1.6011 0.135449 0.086368 0.20484 75 LYS D N +4796 C CA . LYS D 76 ? 1.18456 1.15184 1.49883 0.132971 0.0897501 0.199255 75 LYS D CA +4797 C C . LYS D 76 ? 1.10237 1.03771 1.38077 0.119128 0.0824822 0.163194 75 LYS D C +4798 O O . LYS D 76 ? 1.03539 0.960673 1.30941 0.115777 0.0842233 0.155648 75 LYS D O +4799 C CB . LYS D 76 ? 1.29209 1.30305 1.61081 0.131777 0.0673194 0.217976 75 LYS D CB +4800 C CG . LYS D 76 ? 1.33829 1.38234 1.70232 0.144998 0.0798214 0.259316 75 LYS D CG +4801 C CD . LYS D 76 ? 1.40994 1.50199 1.77959 0.139166 0.0561226 0.281078 75 LYS D CD +4802 C CE . LYS D 76 ? 1.44013 1.57178 1.86071 0.152563 0.0689808 0.327885 75 LYS D CE +4803 N NZ . LYS D 76 ? 1.43954 1.58396 1.87473 0.161173 0.0757988 0.34627 75 LYS D NZ +4804 N N . ASN D 77 ? 1.15001 1.07388 1.40468 0.111244 0.0735962 0.144018 76 ASN D N +4805 C CA . ASN D 77 ? 1.08156 0.98521 1.30448 0.097779 0.0630644 0.115131 76 ASN D CA +4806 C C . ASN D 77 ? 0.952902 0.869606 1.15933 0.0934877 0.0431333 0.108766 76 ASN D C +4807 O O . ASN D 77 ? 0.844217 0.742489 1.03459 0.0852243 0.0422044 0.0909648 76 ASN D O +4808 C CB . ASN D 77 ? 1.12891 0.992437 1.34686 0.0895396 0.0842981 0.0993035 76 ASN D CB +4809 C CG . ASN D 77 ? 1.20873 1.05357 1.43178 0.0870134 0.100549 0.0985886 76 ASN D CG +4810 O OD1 . ASN D 77 ? 1.49043 1.35387 1.71821 0.090958 0.0921391 0.106454 76 ASN D OD1 +4811 N ND2 . ASN D 77 ? 1.13673 0.942193 1.35679 0.0793674 0.12558 0.089361 76 ASN D ND2 +4812 N N . THR D 78 ? 0.971261 0.918726 1.178 0.0967581 0.0268262 0.122884 77 THR D N +4813 C CA . THR D 78 ? 1.01421 0.973987 1.20483 0.0908028 0.00870117 0.119439 77 THR D CA +4814 C C . THR D 78 ? 0.868093 0.838004 1.03017 0.0860924 -0.0106597 0.113628 77 THR D C +4815 O O . THR D 78 ? 0.857863 0.839905 1.02112 0.0898245 -0.0118944 0.123915 77 THR D O +4816 C CB . THR D 78 ? 1.06256 1.04866 1.27917 0.0951676 0.00987061 0.145188 77 THR D CB +4817 O OG1 . THR D 78 ? 1.0355 1.00802 1.28173 0.103731 0.0352967 0.154137 77 THR D OG1 +4818 C CG2 . THR D 78 ? 1.03652 1.03118 1.24012 0.0865743 -0.00532438 0.141305 77 THR D CG2 +4819 N N . LEU D 79 ? 0.771163 0.733289 0.90638 0.0782878 -0.0232312 0.0977659 78 LEU D N +4820 C CA . LEU D 79 ? 0.755009 0.71687 0.858072 0.0738469 -0.0364646 0.0900148 78 LEU D CA +4821 C C . LEU D 79 ? 0.82286 0.79474 0.910164 0.0645002 -0.0500321 0.0929212 78 LEU D C +4822 O O . LEU D 79 ? 1.01542 0.983787 1.10788 0.061066 -0.0507906 0.0888735 78 LEU D O +4823 C CB . LEU D 79 ? 0.803547 0.743358 0.889762 0.0728119 -0.0353526 0.069848 78 LEU D CB +4824 C CG . LEU D 79 ? 0.862229 0.793711 0.914875 0.0702792 -0.0435498 0.0606718 78 LEU D CG +4825 C CD1 . LEU D 79 ? 0.857848 0.791239 0.90355 0.0760696 -0.0401909 0.0655419 78 LEU D CD1 +4826 C CD2 . LEU D 79 ? 0.991449 0.906851 1.03544 0.0688979 -0.0428654 0.0457294 78 LEU D CD2 +4827 N N . TYR D 80 ? 0.983411 0.965996 1.04852 0.0582144 -0.060314 0.0994017 79 TYR D N +4828 C CA . TYR D 80 ? 0.957588 0.951672 1.00459 0.0438193 -0.0746371 0.104219 79 TYR D CA +4829 C C . TYR D 80 ? 0.977549 0.947339 0.975599 0.0342626 -0.080714 0.0862425 79 TYR D C +4830 O O . TYR D 80 ? 0.995355 0.947742 0.976098 0.0405562 -0.0739311 0.0774174 79 TYR D O +4831 C CB . TYR D 80 ? 0.899487 0.929031 0.957259 0.0378258 -0.0827064 0.130613 79 TYR D CB +4832 C CG . TYR D 80 ? 1.06313 1.11657 1.17299 0.0499727 -0.0722531 0.153489 79 TYR D CG +4833 C CD1 . TYR D 80 ? 1.12005 1.18647 1.25778 0.0499969 -0.0705844 0.164269 79 TYR D CD1 +4834 C CD2 . TYR D 80 ? 1.1662 1.22585 1.29794 0.0626153 -0.0605904 0.165026 79 TYR D CD2 +4835 C CE1 . TYR D 80 ? 1.31394 1.39617 1.49899 0.0634319 -0.0550516 0.186316 79 TYR D CE1 +4836 C CE2 . TYR D 80 ? 1.182 1.25664 1.36017 0.0748455 -0.045995 0.186106 79 TYR D CE2 +4837 C CZ . TYR D 80 ? 1.25489 1.33955 1.45971 0.0759605 -0.0417853 0.19712 79 TYR D CZ +4838 O OH . TYR D 80 ? 1.32868 1.42373 1.57949 0.0899597 -0.0221366 0.219856 79 TYR D OH +4839 N N . LEU D 81 ? 1.14835 1.11572 1.12612 0.0194155 -0.0911104 0.082245 80 LEU D N +4840 C CA . LEU D 81 ? 1.18857 1.12923 1.11518 0.00651879 -0.095056 0.0669488 80 LEU D CA +4841 C C . LEU D 81 ? 1.14868 1.10668 1.05535 -0.0172425 -0.111314 0.0771912 80 LEU D C +4842 O O . LEU D 81 ? 0.98339 0.955798 0.906808 -0.0244744 -0.118815 0.0827639 80 LEU D O +4843 C CB . LEU D 81 ? 1.085 0.995803 1.0014 0.0101077 -0.0890523 0.0473898 80 LEU D CB +4844 C CG . LEU D 81 ? 1.19305 1.06731 1.05681 0.00107295 -0.0857283 0.0313967 80 LEU D CG +4845 C CD1 . LEU D 81 ? 1.26012 1.11826 1.10494 0.010752 -0.0739402 0.0288535 80 LEU D CD1 +4846 C CD2 . LEU D 81 ? 1.19033 1.03935 1.04925 0.00529813 -0.0794124 0.0166744 80 LEU D CD2 +4847 N N . GLN D 82 ? 1.1035 1.06073 0.97337 -0.0308547 -0.116566 0.0805217 81 GLN D N +4848 C CA . GLN D 82 ? 1.21186 1.18802 1.05657 -0.0593551 -0.134405 0.0915481 81 GLN D CA +4849 C C . GLN D 82 ? 1.34897 1.27967 1.13062 -0.078629 -0.133553 0.0679414 81 GLN D C +4850 O O . GLN D 82 ? 1.41348 1.31308 1.14728 -0.0841193 -0.125901 0.0564607 81 GLN D O +4851 C CB . GLN D 82 ? 1.24532 1.2495 1.08113 -0.0688337 -0.142315 0.11119 81 GLN D CB +4852 C CG . GLN D 82 ? 1.23804 1.27487 1.05472 -0.101953 -0.164719 0.129382 81 GLN D CG +4853 C CD . GLN D 82 ? 1.30064 1.38586 1.17449 -0.101312 -0.175153 0.154745 81 GLN D CD +4854 O OE1 . GLN D 82 ? 1.20881 1.29674 1.07683 -0.118405 -0.185231 0.153338 81 GLN D OE1 +4855 N NE2 . GLN D 82 ? 1.40254 1.5241 1.33447 -0.079852 -0.16971 0.17909 81 GLN D NE2 +4856 N N . MET D 83 ? 1.34895 1.27379 1.13011 -0.0889433 -0.139169 0.061698 82 MET D N +4857 C CA . MET D 83 ? 1.28522 1.16437 1.00913 -0.10797 -0.136424 0.0400358 82 MET D CA +4858 C C . MET D 83 ? 1.39825 1.29249 1.08435 -0.146955 -0.156254 0.0490941 82 MET D C +4859 O O . MET D 83 ? 1.42785 1.36555 1.14482 -0.159161 -0.173708 0.0684247 82 MET D O +4860 C CB . MET D 83 ? 1.25359 1.11918 0.997455 -0.0994187 -0.131957 0.0296052 82 MET D CB +4861 C CG . MET D 83 ? 1.27583 1.13616 1.06011 -0.0657672 -0.116564 0.0246343 82 MET D CG +4862 S SD . MET D 83 ? 1.2551 1.09466 1.05177 -0.0580883 -0.110299 0.0111492 82 MET D SD +4863 C CE . MET D 83 ? 1.20966 1.09688 1.04478 -0.071422 -0.129088 0.0311714 82 MET D CE +4864 N N . ASN D 84 A 1.46038 1.31802 1.07817 -0.167596 -0.152319 0.0361368 82 ASN D N +4865 C CA . ASN D 84 A 1.44416 1.30708 1.01065 -0.211657 -0.170628 0.0406096 82 ASN D CA +4866 C C . ASN D 84 A 1.55714 1.35094 1.05108 -0.233331 -0.158672 0.0112393 82 ASN D C +4867 O O . ASN D 84 A 1.78312 1.52398 1.26152 -0.211284 -0.132968 -0.0100683 82 ASN D O +4868 C CB . ASN D 84 A 1.45219 1.3317 0.991464 -0.224708 -0.176902 0.0526855 82 ASN D CB +4869 C CG . ASN D 84 A 1.44607 1.38887 1.05659 -0.20108 -0.184417 0.0824773 82 ASN D CG +4870 O OD1 . ASN D 84 A 1.70928 1.64989 1.32088 -0.184022 -0.174165 0.0846483 82 ASN D OD1 +4871 N ND2 . ASN D 84 A 1.39366 1.39092 1.0635 -0.199453 -0.199698 0.10672 82 ASN D ND2 +4872 N N . SER D 85 B 1.50227 1.29733 0.952528 -0.277393 -0.176315 0.0123248 82 SER D N +4873 C CA . SER D 85 B 1.61301 1.33754 0.985552 -0.304713 -0.164114 -0.0156182 82 SER D CA +4874 C C . SER D 85 B 1.58312 1.26745 0.974271 -0.278338 -0.143351 -0.0338334 82 SER D C +4875 O O . SER D 85 B 1.62812 1.24098 0.967002 -0.277084 -0.117265 -0.0587399 82 SER D O +4876 C CB . SER D 85 B 1.73659 1.40381 1.03292 -0.314688 -0.144706 -0.0336746 82 SER D CB +4877 O OG . SER D 85 B 1.86616 1.56688 1.13191 -0.348112 -0.165892 -0.0179969 82 SER D OG +4878 N N . LEU D 86 C 1.50017 1.23028 0.963805 -0.259121 -0.153978 -0.0195062 82 LEU D N +4879 C CA . LEU D 86 C 1.50864 1.21299 0.99927 -0.232496 -0.13756 -0.0319453 82 LEU D CA +4880 C C . LEU D 86 C 1.67849 1.32343 1.1102 -0.257812 -0.127865 -0.0534654 82 LEU D C +4881 O O . LEU D 86 C 1.99301 1.63844 1.38448 -0.300085 -0.144016 -0.0527344 82 LEU D O +4882 C CB . LEU D 86 C 1.48679 1.25125 1.0533 -0.21937 -0.154001 -0.0116555 82 LEU D CB +4883 C CG . LEU D 86 C 1.55336 1.35976 1.18512 -0.183047 -0.152369 0.00409937 82 LEU D CG +4884 C CD1 . LEU D 86 C 1.50443 1.37139 1.20274 -0.177663 -0.168442 0.0282099 82 LEU D CD1 +4885 C CD2 . LEU D 86 C 1.62383 1.39234 1.26541 -0.147472 -0.127052 -0.0125889 82 LEU D CD2 +4886 N N . ARG D 87 ? 1.72935 1.32679 1.16053 -0.231764 -0.101639 -0.0699884 83 ARG D N +4887 C CA . ARG D 87 ? 1.85172 1.3883 1.23494 -0.248297 -0.0864829 -0.0896044 83 ARG D CA +4888 C C . ARG D 87 ? 1.93592 1.48698 1.37455 -0.224507 -0.0849902 -0.086398 83 ARG D C +4889 O O . ARG D 87 ? 2.18283 1.77897 1.68684 -0.193328 -0.0899779 -0.0730791 83 ARG D O +4890 C CB . ARG D 87 ? 1.90568 1.3667 1.23415 -0.236745 -0.0503937 -0.109514 83 ARG D CB +4891 C CG . ARG D 87 ? 1.92753 1.36947 1.20089 -0.253886 -0.0463353 -0.113505 83 ARG D CG +4892 C CD . ARG D 87 ? 1.91988 1.29849 1.16491 -0.22614 -0.00622354 -0.12682 83 ARG D CD +4893 N NE . ARG D 87 ? 2.03002 1.38905 1.22106 -0.241558 -0.00053067 -0.13057 83 ARG D NE +4894 C CZ . ARG D 87 ? 2.08683 1.41357 1.2654 -0.215167 0.0282802 -0.13387 83 ARG D CZ +4895 N NH1 . ARG D 87 ? 2.0133 1.33075 1.23538 -0.17136 0.0520286 -0.130859 83 ARG D NH1 +4896 N NH2 . ARG D 87 ? 2.1184 1.42625 1.24191 -0.233977 0.0322772 -0.137767 83 ARG D NH2 +4897 N N . ALA D 88 ? 2.00188 1.51092 1.4104 -0.240449 -0.076394 -0.0992666 84 ALA D N +4898 C CA . ALA D 88 ? 1.79496 1.31325 1.24981 -0.219875 -0.0734973 -0.0967362 84 ALA D CA +4899 C C . ALA D 88 ? 1.66667 1.17712 1.15663 -0.173581 -0.0512998 -0.0968836 84 ALA D C +4900 O O . ALA D 88 ? 1.55902 1.10835 1.10792 -0.150237 -0.0577824 -0.0863739 84 ALA D O +4901 C CB . ALA D 88 ? 1.70607 1.17243 1.11667 -0.244245 -0.0636292 -0.111301 84 ALA D CB +4902 N N . GLU D 89 ? 1.74435 1.20604 1.19633 -0.162751 -0.0252359 -0.10717 85 GLU D N +4903 C CA . GLU D 89 ? 1.65963 1.11029 1.13842 -0.121947 -0.00148721 -0.104877 85 GLU D CA +4904 C C . GLU D 89 ? 1.53066 1.04507 1.07358 -0.0969463 -0.0166273 -0.0887171 85 GLU D C +4905 O O . GLU D 89 ? 1.54348 1.06966 1.12662 -0.0664681 -0.00715352 -0.0823032 85 GLU D O +4906 C CB . GLU D 89 ? 1.86141 1.24939 1.28323 -0.119823 0.0293196 -0.116022 85 GLU D CB +4907 C CG . GLU D 89 ? 2.09714 1.40967 1.44984 -0.14419 0.0512072 -0.134048 85 GLU D CG +4908 C CD . GLU D 89 ? 2.29629 1.57808 1.57548 -0.189414 0.0446642 -0.147193 85 GLU D CD +4909 O OE1 . GLU D 89 ? 2.41804 1.65119 1.6429 -0.221626 0.0509388 -0.161579 85 GLU D OE1 +4910 O OE2 . GLU D 89 ? 2.38343 1.68893 1.65716 -0.193365 0.0342003 -0.142568 85 GLU D OE2 +4911 N N . ASP D 90 ? 1.55412 1.11036 1.10638 -0.111398 -0.0398613 -0.0806063 86 ASP D N +4912 C CA . ASP D 90 ? 1.39571 1.00656 1.00433 -0.090244 -0.0516052 -0.0657918 86 ASP D CA +4913 C C . ASP D 90 ? 1.37178 1.02443 1.0363 -0.0811871 -0.0654433 -0.0564058 86 ASP D C +4914 O O . ASP D 90 ? 1.52215 1.2186 1.23101 -0.0691457 -0.0758643 -0.0443647 86 ASP D O +4915 C CB . ASP D 90 ? 1.38146 1.02264 0.982895 -0.108163 -0.0694644 -0.0572535 86 ASP D CB +4916 C CG . ASP D 90 ? 1.44822 1.05121 0.99375 -0.116642 -0.0558329 -0.0656421 86 ASP D CG +4917 O OD1 . ASP D 90 ? 1.4178 0.99415 0.961374 -0.0918305 -0.0328541 -0.0698718 86 ASP D OD1 +4918 O OD2 . ASP D 90 ? 1.3729 0.973939 0.876786 -0.148744 -0.0677046 -0.0663858 86 ASP D OD2 +4919 N N . THR D 91 ? 1.36592 1.00302 1.02653 -0.0880919 -0.0641457 -0.061701 87 THR D N +4920 C CA . THR D 91 ? 1.27522 0.947876 0.984768 -0.0795638 -0.0746248 -0.0532991 87 THR D CA +4921 C C . THR D 91 ? 1.27551 0.948754 1.01469 -0.0482927 -0.0608754 -0.0522994 87 THR D C +4922 O O . THR D 91 ? 1.28041 0.917917 1.00135 -0.0374922 -0.0420356 -0.0587507 87 THR D O +4923 C CB . THR D 91 ? 1.29202 0.947709 0.985975 -0.0982483 -0.077396 -0.058423 87 THR D CB +4924 O OG1 . THR D 91 ? 1.40207 1.06783 1.07234 -0.130699 -0.0942117 -0.0554052 87 THR D OG1 +4925 C CG2 . THR D 91 ? 1.23749 0.92405 0.978562 -0.0879187 -0.0843143 -0.050439 87 THR D CG2 +4926 N N . ALA D 92 ? 1.27923 0.993725 1.06384 -0.0354157 -0.0696066 -0.0423014 88 ALA D N +4927 C CA . ALA D 92 ? 1.23605 0.95815 1.04858 -0.0113149 -0.0606068 -0.0397282 88 ALA D CA +4928 C C . ALA D 92 ? 1.20593 0.968987 1.06139 -0.00566428 -0.0711708 -0.0307433 88 ALA D C +4929 O O . ALA D 92 ? 1.16302 0.94856 1.02885 -0.0156269 -0.0823113 -0.0240311 88 ALA D O +4930 C CB . ALA D 92 ? 1.276 0.982206 1.07382 0.000476 -0.0477445 -0.0404566 88 ALA D CB +4931 N N . VAL D 93 ? 1.16365 0.935894 1.04308 0.00943275 -0.0661961 -0.0290199 89 VAL D N +4932 C CA . VAL D 93 ? 1.14229 0.943354 1.0544 0.0149165 -0.0706258 -0.0227261 89 VAL D CA +4933 C C . VAL D 93 ? 1.14238 0.948342 1.05573 0.0225146 -0.0674486 -0.0196762 89 VAL D C +4934 O O . VAL D 93 ? 1.0028 0.796384 0.9067 0.0317026 -0.0588363 -0.0208842 89 VAL D O +4935 C CB . VAL D 93 ? 1.13234 0.93994 1.0633 0.0221402 -0.0674718 -0.023115 89 VAL D CB +4936 C CG1 . VAL D 93 ? 1.23361 1.06057 1.18921 0.0267034 -0.0671324 -0.0193213 89 VAL D CG1 +4937 C CG2 . VAL D 93 ? 1.04252 0.849956 0.97707 0.0147111 -0.070724 -0.0242271 89 VAL D CG2 +4938 N N . TYR D 94 ? 1.18022 1.00551 1.10743 0.0195351 -0.0730803 -0.0130739 90 TYR D N +4939 C CA . TYR D 94 ? 1.11897 0.950389 1.04885 0.0261733 -0.0702313 -0.0090154 90 TYR D CA +4940 C C . TYR D 94 ? 1.11726 0.965116 1.07756 0.0346948 -0.0670616 -0.00520126 90 TYR D C +4941 O O . TYR D 94 ? 0.944133 0.806987 0.926135 0.0328455 -0.0685885 0.00041658 90 TYR D O +4942 C CB . TYR D 94 ? 1.11933 0.960951 1.04183 0.0161836 -0.0777039 -0.00223254 90 TYR D CB +4943 C CG . TYR D 94 ? 1.23357 1.05153 1.11396 0.00490866 -0.0782052 -0.00836 90 TYR D CG +4944 C CD1 . TYR D 94 ? 1.30681 1.11336 1.168 -0.0101583 -0.083525 -0.0127937 90 TYR D CD1 +4945 C CD2 . TYR D 94 ? 1.24219 1.04519 1.09904 0.00823105 -0.0711042 -0.0102952 90 TYR D CD2 +4946 C CE1 . TYR D 94 ? 1.31276 1.09006 1.1285 -0.0240363 -0.0814723 -0.0206615 90 TYR D CE1 +4947 C CE2 . TYR D 94 ? 1.27584 1.04898 1.08689 -0.00384633 -0.0675176 -0.0177843 90 TYR D CE2 +4948 C CZ . TYR D 94 ? 1.30104 1.05925 1.08959 -0.0210393 -0.0724045 -0.0239229 90 TYR D CZ +4949 O OH . TYR D 94 ? 1.25848 0.979909 0.995414 -0.0358747 -0.0662151 -0.03341 90 TYR D OH +4950 N N . TYR D 95 ? 1.04448 0.888505 1.00534 0.0432625 -0.0609057 -0.00656076 91 TYR D N +4951 C CA . TYR D 95 ? 0.999508 0.856062 0.982151 0.0470549 -0.0580343 -0.00389221 91 TYR D CA +4952 C C . TYR D 95 ? 1.03767 0.902179 1.02695 0.0517733 -0.0555528 0.00228109 91 TYR D C +4953 O O . TYR D 95 ? 1.29087 1.14877 1.26453 0.0557418 -0.0536146 0.00389927 91 TYR D O +4954 C CB . TYR D 95 ? 0.946674 0.801783 0.927975 0.050995 -0.0549971 -0.00434603 91 TYR D CB +4955 C CG . TYR D 95 ? 1.06311 0.912796 1.03971 0.0473549 -0.0565394 -0.00850011 91 TYR D CG +4956 C CD1 . TYR D 95 ? 1.06569 0.920958 1.05219 0.0405159 -0.0579763 -0.0114551 91 TYR D CD1 +4957 C CD2 . TYR D 95 ? 1.21888 1.05489 1.17913 0.0509817 -0.0538443 -0.00899274 91 TYR D CD2 +4958 C CE1 . TYR D 95 ? 1.11109 0.962354 1.09208 0.0371047 -0.0591435 -0.0143259 91 TYR D CE1 +4959 C CE2 . TYR D 95 ? 1.14117 0.973441 1.09885 0.0487931 -0.0543648 -0.010761 91 TYR D CE2 +4960 C CZ . TYR D 95 ? 1.11595 0.958124 1.08453 0.0417706 -0.0582513 -0.0130748 91 TYR D CZ +4961 O OH . TYR D 95 ? 1.3552 1.19406 1.31964 0.039237 -0.0587575 -0.0142691 91 TYR D OH +4962 N N . CYS D 96 ? 0.997126 0.871989 1.00725 0.0512685 -0.0530856 0.00551599 92 CYS D N +4963 C CA . CYS D 96 ? 1.02005 0.902493 1.03948 0.0560344 -0.0492696 0.0117615 92 CYS D CA +4964 C C . CYS D 96 ? 0.927078 0.813138 0.95561 0.0547793 -0.0461476 0.0109749 92 CYS D C +4965 O O . CYS D 96 ? 0.867533 0.751335 0.900195 0.0472413 -0.0455823 0.00594159 92 CYS D O +4966 C CB . CYS D 96 ? 1.08399 0.974739 1.12025 0.0558612 -0.0468177 0.0188743 92 CYS D CB +4967 S SG . CYS D 96 ? 1.17266 1.05958 1.22923 0.0512025 -0.0380618 0.0167945 92 CYS D SG +4968 N N . ALA D 97 ? 0.894716 0.786843 0.924278 0.0604764 -0.0440877 0.0169591 93 ALA D N +4969 C CA . ALA D 97 ? 0.920361 0.822524 0.959271 0.0569117 -0.0436414 0.0202852 93 ALA D CA +4970 C C . ALA D 97 ? 0.92818 0.839327 0.981255 0.0577164 -0.0395921 0.0271961 93 ALA D C +4971 O O . ALA D 97 ? 0.899427 0.810783 0.952265 0.0664265 -0.0364368 0.0322785 93 ALA D O +4972 C CB . ALA D 97 ? 0.886842 0.792765 0.919162 0.063441 -0.0438071 0.0260187 93 ALA D CB +4973 N N . LYS D 98 ? 1.00603 0.923207 1.06874 0.0460092 -0.0395457 0.0269685 94 LYS D N +4974 C CA . LYS D 98 ? 1.00469 0.930684 1.08092 0.0432116 -0.0359123 0.0338483 94 LYS D CA +4975 C C . LYS D 98 ? 0.967338 0.914075 1.04989 0.0444352 -0.0395571 0.0460073 94 LYS D C +4976 O O . LYS D 98 ? 0.859183 0.815537 0.93968 0.0361442 -0.0455441 0.047687 94 LYS D O +4977 C CB . LYS D 98 ? 1.05317 0.969244 1.13154 0.0257493 -0.0320154 0.0261203 94 LYS D CB +4978 C CG . LYS D 98 ? 1.1878 1.10875 1.27731 0.0164191 -0.0276406 0.0311309 94 LYS D CG +4979 C CD . LYS D 98 ? 1.25614 1.16388 1.33735 -0.00793124 -0.0243856 0.0217289 94 LYS D CD +4980 C CE . LYS D 98 ? 1.32861 1.24631 1.41677 -0.0232432 -0.024446 0.0279224 94 LYS D CE +4981 N NZ . LYS D 98 ? 1.25457 1.19677 1.33916 -0.0404291 -0.0377922 0.0344215 94 LYS D NZ +4982 N N . SER D 99 ? 1.01864 0.974517 1.1109 0.0548297 -0.03508 0.0570619 95 SER D N +4983 C CA . SER D 99 ? 1.08653 1.06455 1.19036 0.0597126 -0.0351294 0.0735826 95 SER D CA +4984 C C . SER D 99 ? 1.16798 1.16437 1.29038 0.0475953 -0.0361551 0.0828137 95 SER D C +4985 O O . SER D 99 ? 1.00584 0.993436 1.13207 0.0445892 -0.0316698 0.0786801 95 SER D O +4986 C CB . SER D 99 ? 1.15496 1.12708 1.25309 0.0809761 -0.0262983 0.0806046 95 SER D CB +4987 O OG . SER D 99 ? 1.45811 1.45139 1.57106 0.0887046 -0.0222744 0.100007 95 SER D OG +4988 N N . TYR D 100 ? 1.24773 1.27174 1.38266 0.0396102 -0.0421397 0.0976005 96 TYR D N +4989 C CA . TYR D 100 ? 1.28556 1.33608 1.4408 0.027893 -0.0447334 0.113047 96 TYR D CA +4990 C C . TYR D 100 ? 1.3675 1.4542 1.5386 0.0280973 -0.0505778 0.136227 96 TYR D C +4991 O O . TYR D 100 ? 1.67469 1.77631 1.84297 0.00781014 -0.0620923 0.137484 96 TYR D O +4992 C CB . TYR D 100 ? 1.51186 1.55639 1.6621 -0.00170092 -0.0499041 0.101896 96 TYR D CB +4993 C CG . TYR D 100 ? 1.73458 1.80228 1.9051 -0.012431 -0.0504885 0.117538 96 TYR D CG +4994 C CD1 . TYR D 100 ? 1.82555 1.88432 2.0057 0.00030784 -0.0399497 0.119361 96 TYR D CD1 +4995 C CD2 . TYR D 100 ? 1.65742 1.76059 1.83928 -0.0348967 -0.0622626 0.134019 96 TYR D CD2 +4996 C CE1 . TYR D 100 ? 1.7248 1.8059 1.92555 -0.00777591 -0.0397155 0.135448 96 TYR D CE1 +4997 C CE2 . TYR D 100 ? 1.58639 1.71504 1.78946 -0.0452248 -0.0636338 0.151381 96 TYR D CE2 +4998 C CZ . TYR D 100 ? 1.66962 1.78536 1.88224 -0.0310131 -0.0516013 0.151179 96 TYR D CZ +4999 O OH . TYR D 100 ? 1.66062 1.79952 1.89474 -0.0407121 -0.0517368 0.167995 96 TYR D OH +5000 N N . GLY D 101 ? 1.21301 1.31268 1.39954 0.0517855 -0.0408305 0.155891 97 GLY D N +5001 C CA . GLY D 101 ? 1.2732 1.4086 1.48076 0.0579453 -0.0415905 0.183843 97 GLY D CA +5002 C C . GLY D 101 ? 1.11186 1.23609 1.30666 0.0694869 -0.0391519 0.181337 97 GLY D C +5003 O O . GLY D 101 ? 1.132 1.27564 1.34349 0.0857936 -0.0312504 0.20567 97 GLY D O +5004 N N . ALA D 102 ? 0.947944 1.04257 1.11587 0.0602321 -0.0448469 0.154361 98 ALA D N +5005 C CA . ALA D 102 ? 0.904557 0.973761 1.05317 0.0733185 -0.0395443 0.14383 98 ALA D CA +5006 C C . ALA D 102 ? 0.940357 0.976084 1.06297 0.062419 -0.0445473 0.113258 98 ALA D C +5007 O O . ALA D 102 ? 1.06763 1.09815 1.18911 0.0494704 -0.0480362 0.102884 98 ALA D O +5008 C CB . ALA D 102 ? 0.87072 0.967299 1.03012 0.0692863 -0.0455799 0.161339 98 ALA D CB +5009 N N . PHE D 103 ? 0.886056 0.899734 0.989852 0.0667748 -0.0438044 0.100489 99 PHE D N +5010 C CA . PHE D 103 ? 0.917824 0.906403 1.0029 0.0558816 -0.0483721 0.0764466 99 PHE D CA +5011 C C . PHE D 103 ? 0.961679 0.960663 1.0451 0.0315924 -0.059484 0.0714425 99 PHE D C +5012 O O . PHE D 103 ? 1.01671 1.01694 1.0925 0.0276222 -0.0639092 0.0702512 99 PHE D O +5013 C CB . PHE D 103 ? 1.02573 0.988172 1.09156 0.0677903 -0.0435284 0.066113 99 PHE D CB +5014 C CG . PHE D 103 ? 1.01206 0.956899 1.06879 0.0866274 -0.03146 0.0679116 99 PHE D CG +5015 C CD1 . PHE D 103 ? 1.10564 1.04719 1.164 0.0899755 -0.0276955 0.0671829 99 PHE D CD1 +5016 C CD2 . PHE D 103 ? 1.00759 0.936442 1.05107 0.0996604 -0.0220941 0.0705485 99 PHE D CD2 +5017 C CE1 . PHE D 103 ? 1.03546 0.959723 1.07977 0.104195 -0.0164414 0.0685572 99 PHE D CE1 +5018 C CE2 . PHE D 103 ? 1.07983 0.985774 1.10656 0.112919 -0.00893803 0.0698085 99 PHE D CE2 +5019 C CZ . PHE D 103 ? 1.10965 1.01425 1.13566 0.11446 -0.00681688 0.0687715 99 PHE D CZ +5020 N N . ASP D 104 ? 1.11953 1.12182 1.20627 0.0140369 -0.0623586 0.06748 100 ASP D N +5021 C CA . ASP D 104 ? 1.14961 1.15709 1.22764 -0.0138214 -0.070726 0.0619368 100 ASP D CA +5022 C C . ASP D 104 ? 1.04731 1.02164 1.10383 -0.0207272 -0.0672878 0.0392472 100 ASP D C +5023 O O . ASP D 104 ? 0.968007 0.940101 1.00986 -0.0416042 -0.0719794 0.0326672 100 ASP D O +5024 C CB . ASP D 104 ? 1.13061 1.15247 1.21623 -0.0345896 -0.0738361 0.0676043 100 ASP D CB +5025 C CG . ASP D 104 ? 1.15934 1.15848 1.24643 -0.0331001 -0.063651 0.0574587 100 ASP D CG +5026 O OD1 . ASP D 104 ? 1.16403 1.14226 1.25001 -0.0127054 -0.055115 0.0497695 100 ASP D OD1 +5027 O OD2 . ASP D 104 ? 1.02685 1.03035 1.11603 -0.0535434 -0.0643298 0.058816 100 ASP D OD2 +5028 N N . TYR D 105 ? 0.9647 0.914639 1.01866 -0.00498994 -0.0587459 0.028905 101 TYR D N +5029 C CA . TYR D 105 ? 0.987999 0.911062 1.02743 -0.0102863 -0.0538738 0.0122232 101 TYR D CA +5030 C C . TYR D 105 ? 0.935757 0.847574 0.974611 0.00964013 -0.0509921 0.0094173 101 TYR D C +5031 O O . TYR D 105 ? 0.954167 0.867612 1.00036 0.0240865 -0.048443 0.0147306 101 TYR D O +5032 C CB . TYR D 105 ? 1.16687 1.06887 1.20391 -0.0219206 -0.0435464 0.00252381 101 TYR D CB +5033 C CG . TYR D 105 ? 1.32933 1.20444 1.34931 -0.0331074 -0.0358458 -0.0121411 101 TYR D CG +5034 C CD1 . TYR D 105 ? 1.37741 1.24604 1.37728 -0.0584113 -0.0371106 -0.0193729 101 TYR D CD1 +5035 C CD2 . TYR D 105 ? 1.4867 1.34439 1.50959 -0.0192852 -0.027096 -0.0169466 101 TYR D CD2 +5036 C CE1 . TYR D 105 ? 1.38238 1.22229 1.3631 -0.0675376 -0.0269416 -0.0330223 101 TYR D CE1 +5037 C CE2 . TYR D 105 ? 1.50181 1.33553 1.51219 -0.0265947 -0.0172213 -0.0274977 101 TYR D CE2 +5038 C CZ . TYR D 105 ? 1.47754 1.29952 1.46552 -0.0497816 -0.0156888 -0.0366125 101 TYR D CZ +5039 O OH . TYR D 105 ? 1.50536 1.29915 1.47971 -0.0544834 -0.00201511 -0.0469229 101 TYR D OH +5040 N N . TRP D 106 ? 0.964816 0.865691 0.992546 0.0079012 -0.0518571 0.00155453 102 TRP D N +5041 C CA . TRP D 106 ? 0.831807 0.723477 0.856419 0.0214083 -0.0511931 -0.00080071 102 TRP D CA +5042 C C . TRP D 106 ? 0.85357 0.727559 0.874783 0.0171453 -0.0454396 -0.0103305 102 TRP D C +5043 O O . TRP D 106 ? 0.888563 0.753927 0.901978 0.00425755 -0.0424097 -0.0171884 102 TRP D O +5044 C CB . TRP D 106 ? 0.810529 0.708207 0.827627 0.0247 -0.0568378 0.00251276 102 TRP D CB +5045 C CG . TRP D 106 ? 0.869837 0.784681 0.89306 0.0327805 -0.0586088 0.0161633 102 TRP D CG +5046 C CD1 . TRP D 106 ? 0.904454 0.841797 0.937378 0.0260814 -0.0621765 0.0276435 102 TRP D CD1 +5047 C CD2 . TRP D 106 ? 0.878039 0.787665 0.897187 0.0488184 -0.0547591 0.0217133 102 TRP D CD2 +5048 N NE1 . TRP D 106 ? 0.898859 0.848552 0.939896 0.0404897 -0.0595047 0.0428875 102 TRP D NE1 +5049 C CE2 . TRP D 106 ? 0.879546 0.808367 0.90983 0.0549534 -0.0530651 0.0381245 102 TRP D CE2 +5050 C CE3 . TRP D 106 ? 0.829093 0.718462 0.834644 0.0565457 -0.051462 0.0150901 102 TRP D CE3 +5051 C CZ2 . TRP D 106 ? 0.945982 0.868809 0.973657 0.0718001 -0.0439545 0.0474524 102 TRP D CZ2 +5052 C CZ3 . TRP D 106 ? 0.959144 0.83987 0.956387 0.0691469 -0.0442458 0.021271 102 TRP D CZ3 +5053 C CH2 . TRP D 106 ? 1.03022 0.924913 1.03818 0.0781686 -0.0385648 0.0369567 102 TRP D CH2 +5054 N N . GLY D 107 ? 0.906921 0.776419 0.932531 0.027143 -0.0436287 -0.00909457 103 GLY D N +5055 C CA . GLY D 107 ? 0.963734 0.822151 0.99244 0.0259418 -0.0374004 -0.0124801 103 GLY D CA +5056 C C . GLY D 107 ? 0.944294 0.79911 0.962364 0.0240324 -0.0420622 -0.0167863 103 GLY D C +5057 O O . GLY D 107 ? 0.748704 0.608695 0.757457 0.0247752 -0.0493133 -0.016558 103 GLY D O +5058 N N . GLN D 108 ? 1.10128 0.947643 1.12335 0.0229577 -0.0358384 -0.018284 104 GLN D N +5059 C CA . GLN D 108 ? 1.18243 1.02449 1.19623 0.0205767 -0.038537 -0.0218634 104 GLN D CA +5060 C C . GLN D 108 ? 1.16261 1.01121 1.17297 0.0260889 -0.0483964 -0.0180646 104 GLN D C +5061 O O . GLN D 108 ? 1.22867 1.07408 1.22803 0.0246774 -0.0529217 -0.0209919 104 GLN D O +5062 C CB . GLN D 108 ? 1.39609 1.22754 1.41804 0.0191526 -0.0262056 -0.0218714 104 GLN D CB +5063 C CG . GLN D 108 ? 1.60945 1.4223 1.6229 0.00975008 -0.0123175 -0.0299165 104 GLN D CG +5064 C CD . GLN D 108 ? 1.57577 1.38563 1.56646 -0.00259373 -0.0184115 -0.0387776 104 GLN D CD +5065 O OE1 . GLN D 108 ? 1.34575 1.16056 1.32856 -0.0030333 -0.026467 -0.039475 104 GLN D OE1 +5066 N NE2 . GLN D 108 ? 1.58961 1.39301 1.56937 -0.01459 -0.0148977 -0.043951 104 GLN D NE2 +5067 N N . GLY D 109 ? 1.11329 0.969176 1.13042 0.0306468 -0.0508267 -0.0112998 105 GLY D N +5068 C CA . GLY D 109 ? 1.0374 0.894747 1.04394 0.0308971 -0.0591409 -0.00911805 105 GLY D CA +5069 C C . GLY D 109 ? 1.08319 0.948961 1.1009 0.0275225 -0.061027 -0.00121078 105 GLY D C +5070 O O . GLY D 109 ? 1.05624 0.923859 1.08994 0.0275446 -0.0540183 0.00203482 105 GLY D O +5071 N N . THR D 110 ? 1.11663 0.988267 1.12555 0.023626 -0.0693728 0.00382331 106 THR D N +5072 C CA . THR D 110 ? 1.09718 0.983371 1.11533 0.0163289 -0.0752401 0.014838 106 THR D CA +5073 C C . THR D 110 ? 1.19364 1.06931 1.18301 0.00550069 -0.0846987 0.00907708 106 THR D C +5074 O O . THR D 110 ? 1.39934 1.26114 1.36353 0.00453861 -0.0859498 0.00227042 106 THR D O +5075 C CB . THR D 110 ? 1.15319 1.06099 1.18928 0.0176756 -0.0762298 0.0304865 106 THR D CB +5076 O OG1 . THR D 110 ? 1.23428 1.16392 1.28226 0.00882707 -0.0839205 0.0461698 106 THR D OG1 +5077 C CG2 . THR D 110 ? 1.1982 1.10413 1.21379 0.0160735 -0.0817563 0.0288148 106 THR D CG2 +5078 N N . LEU D 111 ? 1.26585 1.14388 1.25712 -0.0027452 -0.0886588 0.0113427 107 LEU D N +5079 C CA . LEU D 111 ? 1.28218 1.14228 1.24322 -0.0141907 -0.094399 0.00304203 107 LEU D CA +5080 C C . LEU D 111 ? 1.25293 1.12565 1.20246 -0.0314714 -0.106406 0.0121696 107 LEU D C +5081 O O . LEU D 111 ? 1.17009 1.07101 1.14302 -0.0384819 -0.113089 0.0283317 107 LEU D O +5082 C CB . LEU D 111 ? 1.43163 1.28491 1.39555 -0.0169122 -0.0930203 -0.00018489 107 LEU D CB +5083 C CG . LEU D 111 ? 1.41196 1.24472 1.34515 -0.0309622 -0.0975885 -0.00739982 107 LEU D CG +5084 C CD1 . LEU D 111 ? 1.45698 1.2577 1.35831 -0.0263904 -0.0901913 -0.0206025 107 LEU D CD1 +5085 C CD2 . LEU D 111 ? 1.41189 1.24288 1.35472 -0.0324451 -0.0958649 -0.00756724 107 LEU D CD2 +5086 N N . VAL D 112 ? 1.28216 1.13362 1.19468 -0.0387774 -0.107674 0.00313181 108 VAL D N +5087 C CA . VAL D 112 ? 1.4148 1.27101 1.30268 -0.0609613 -0.119356 0.00825947 108 VAL D CA +5088 C C . VAL D 112 ? 1.4506 1.27496 1.30153 -0.0770908 -0.119492 -0.00435824 108 VAL D C +5089 O O . VAL D 112 ? 1.34447 1.13081 1.16765 -0.0707463 -0.107324 -0.0197247 108 VAL D O +5090 C CB . VAL D 112 ? 1.45166 1.30166 1.31787 -0.0603794 -0.117997 0.0066784 108 VAL D CB +5091 C CG1 . VAL D 112 ? 1.43507 1.2848 1.26432 -0.0882448 -0.130084 0.00975736 108 VAL D CG1 +5092 C CG2 . VAL D 112 ? 1.38842 1.26929 1.29281 -0.0448471 -0.116842 0.0203081 108 VAL D CG2 +5093 N N . THR D 113 ? 1.42723 1.26877 1.28067 -0.0978608 -0.132035 0.00485986 109 THR D N +5094 C CA . THR D 113 ? 1.27502 1.08789 1.09049 -0.120088 -0.13426 -0.00530875 109 THR D CA +5095 C C . THR D 113 ? 1.30737 1.12404 1.08663 -0.151894 -0.148155 -0.00102115 109 THR D C +5096 O O . THR D 113 ? 1.31838 1.1811 1.12074 -0.164743 -0.164548 0.0201214 109 THR D O +5097 C CB . THR D 113 ? 1.23854 1.07054 1.08406 -0.123061 -0.139085 0.00339574 109 THR D CB +5098 O OG1 . THR D 113 ? 1.10477 0.94631 0.9896 -0.0950252 -0.128786 0.00498655 109 THR D OG1 +5099 C CG2 . THR D 113 ? 1.24045 1.03654 1.05031 -0.141173 -0.137078 -0.0094523 109 THR D CG2 +5100 N N . VAL D 114 ? 1.3928 1.16074 1.11392 -0.165583 -0.140233 -0.0193937 110 VAL D N +5101 C CA . VAL D 114 ? 1.56271 1.32579 1.23675 -0.201747 -0.152405 -0.0188194 110 VAL D CA +5102 C C . VAL D 114 ? 1.57711 1.30939 1.21332 -0.231565 -0.154377 -0.0288293 110 VAL D C +5103 O O . VAL D 114 ? 1.45267 1.12639 1.05067 -0.228898 -0.134856 -0.0497886 110 VAL D O +5104 C CB . VAL D 114 ? 1.63834 1.36426 1.26463 -0.201435 -0.140344 -0.0321958 110 VAL D CB +5105 C CG1 . VAL D 114 ? 1.55518 1.27948 1.1293 -0.242649 -0.154622 -0.0304311 110 VAL D CG1 +5106 C CG2 . VAL D 114 ? 1.68881 1.44107 1.35377 -0.169934 -0.135949 -0.0235107 110 VAL D CG2 +5107 N N . SER D 115 ? 1.52528 1.29914 1.17584 -0.259131 -0.176739 -0.0110473 111 SER D N +5108 C CA . SER D 115 ? 1.48676 1.23996 1.10939 -0.289742 -0.181495 -0.0169756 111 SER D CA +5109 C C . SER D 115 ? 1.44251 1.24673 1.06768 -0.330301 -0.210494 0.00617172 111 SER D C +5110 O O . SER D 115 ? 1.34915 1.21867 1.02563 -0.323577 -0.225714 0.0339856 111 SER D O +5111 C CB . SER D 115 ? 1.44601 1.19753 1.10797 -0.266934 -0.172172 -0.0179727 111 SER D CB +5112 O OG . SER D 115 ? 1.41949 1.15214 1.05658 -0.29714 -0.176713 -0.022362 111 SER D OG +5113 N N . SER D 116 ? 1.52639 1.29979 1.0971 -0.372657 -0.216402 -0.0039124 112 SER D N +5114 C CA . SER D 116 ? 1.61416 1.43495 1.18219 -0.418504 -0.245645 0.0185536 112 SER D CA +5115 C C . SER D 116 ? 1.48215 1.35106 1.11467 -0.412321 -0.25522 0.0408692 112 SER D C +5116 O O . SER D 116 ? 1.53169 1.45872 1.18524 -0.442055 -0.280225 0.069294 112 SER D O +5117 C CB . SER D 116 ? 1.74018 1.50586 1.2197 -0.470911 -0.247809 -0.00198263 112 SER D CB +5118 O OG . SER D 116 ? 1.91198 1.62293 1.32725 -0.47391 -0.232695 -0.0249191 112 SER D OG +5119 N N . ALA D 117 ? 1.3747 1.22097 1.03783 -0.374795 -0.235045 0.0299733 113 ALA D N +5120 C CA . ALA D 117 ? 1.41094 1.28785 1.12414 -0.36936 -0.238902 0.0456291 113 ALA D CA +5121 C C . ALA D 117 ? 1.41262 1.37018 1.20278 -0.351676 -0.251185 0.0827366 113 ALA D C +5122 O O . ALA D 117 ? 1.51265 1.48748 1.32575 -0.325339 -0.24648 0.088458 113 ALA D O +5123 C CB . ALA D 117 ? 1.35945 1.18923 1.07932 -0.334179 -0.213156 0.0240231 113 ALA D CB +5124 N N . SER D 118 ? 1.40696 1.40927 1.23686 -0.364796 -0.263487 0.107853 114 SER D N +5125 C CA . SER D 118 ? 1.35689 1.43265 1.26484 -0.345873 -0.26945 0.146458 114 SER D CA +5126 C C . SER D 118 ? 1.34583 1.41219 1.30035 -0.299182 -0.245973 0.142266 114 SER D C +5127 O O . SER D 118 ? 1.37499 1.38979 1.30789 -0.287664 -0.230551 0.115427 114 SER D O +5128 C CB . SER D 118 ? 1.34702 1.47736 1.27682 -0.381983 -0.292093 0.178807 114 SER D CB +5129 O OG . SER D 118 ? 1.49988 1.64826 1.38892 -0.426316 -0.315913 0.187071 114 SER D OG +5130 N N . THR D 119 ? 1.29119 1.40798 1.30893 -0.272937 -0.242098 0.170802 115 THR D N +5131 C CA . THR D 119 ? 1.13544 1.24401 1.19434 -0.230368 -0.21848 0.168233 115 THR D CA +5132 C C . THR D 119 ? 1.06669 1.19122 1.1567 -0.23307 -0.216467 0.182358 115 THR D C +5133 O O . THR D 119 ? 1.10968 1.28832 1.23215 -0.253085 -0.231232 0.216524 115 THR D O +5134 C CB . THR D 119 ? 1.25059 1.40251 1.36168 -0.204871 -0.211987 0.194855 115 THR D CB +5135 O OG1 . THR D 119 ? 1.255 1.38815 1.33134 -0.205214 -0.214813 0.17928 115 THR D OG1 +5136 C CG2 . THR D 119 ? 1.36185 1.50392 1.51297 -0.16488 -0.185538 0.193862 115 THR D CG2 +5137 N N . LYS D 120 ? 1.01842 1.09961 1.10108 -0.212423 -0.198047 0.158896 116 LYS D N +5138 C CA . LYS D 120 ? 1.05855 1.1499 1.16884 -0.211987 -0.193183 0.170169 116 LYS D CA +5139 C C . LYS D 120 ? 1.01197 1.09281 1.15531 -0.171497 -0.16735 0.167503 116 LYS D C +5140 O O . LYS D 120 ? 0.86236 0.899238 0.980744 -0.151701 -0.153648 0.139255 116 LYS D O +5141 C CB . LYS D 120 ? 1.10263 1.1495 1.16544 -0.234604 -0.196855 0.1457 116 LYS D CB +5142 C CG . LYS D 120 ? 1.19343 1.25848 1.28671 -0.23967 -0.195355 0.162147 116 LYS D CG +5143 C CD . LYS D 120 ? 1.27067 1.29244 1.32086 -0.262541 -0.197364 0.140821 116 LYS D CD +5144 C CE . LYS D 120 ? 1.38456 1.4285 1.47327 -0.2613 -0.193237 0.159689 116 LYS D CE +5145 N NZ . LYS D 120 ? 1.38671 1.43359 1.51528 -0.219821 -0.170529 0.163684 116 LYS D NZ +5146 N N . GLY D 121 ? 1.03962 1.16156 1.23801 -0.161469 -0.160207 0.198839 117 GLY D N +5147 C CA . GLY D 121 ? 0.99986 1.109 1.22574 -0.127598 -0.13336 0.197696 117 GLY D CA +5148 C C . GLY D 121 ? 0.965111 1.03618 1.16815 -0.12768 -0.126227 0.176259 117 GLY D C +5149 O O . GLY D 121 ? 0.965499 1.04296 1.16045 -0.152606 -0.139734 0.180866 117 GLY D O +5150 N N . PRO D 122 ? 1.08838 1.12112 1.28036 -0.102034 -0.105379 0.154327 118 PRO D N +5151 C CA . PRO D 122 ? 1.12692 1.12413 1.29581 -0.100645 -0.0982537 0.134744 118 PRO D CA +5152 C C . PRO D 122 ? 1.02095 1.03672 1.22522 -0.0962989 -0.0874493 0.15528 118 PRO D C +5153 O O . PRO D 122 ? 1.05647 1.10193 1.3042 -0.0824449 -0.0748729 0.180554 118 PRO D O +5154 C CB . PRO D 122 ? 1.18632 1.14542 1.33336 -0.076577 -0.0817239 0.109186 118 PRO D CB +5155 C CG . PRO D 122 ? 1.24871 1.22768 1.42534 -0.0594718 -0.0706916 0.122997 118 PRO D CG +5156 C CD . PRO D 122 ? 1.27483 1.29644 1.47313 -0.0756444 -0.0881741 0.147663 118 PRO D CD +5157 N N . SER D 123 ? 1.00436 0.999618 1.18944 -0.106814 -0.0897131 0.144806 119 SER D N +5158 C CA . SER D 123 ? 1.1035 1.10422 1.31332 -0.0987933 -0.0755985 0.157191 119 SER D CA +5159 C C . SER D 123 ? 1.17658 1.1368 1.3651 -0.0757518 -0.0552166 0.133999 119 SER D C +5160 O O . SER D 123 ? 1.31086 1.23645 1.45932 -0.076493 -0.0586554 0.107815 119 SER D O +5161 C CB . SER D 123 ? 1.09567 1.09838 1.29784 -0.124139 -0.0889981 0.160827 119 SER D CB +5162 O OG . SER D 123 ? 1.304 1.347 1.52234 -0.15063 -0.110073 0.183359 119 SER D OG +5163 N N . VAL D 124 ? 1.0665 1.03169 1.28129 -0.0563175 -0.0328643 0.145712 120 VAL D N +5164 C CA . VAL D 124 ? 0.96462 0.893786 1.15628 -0.0392691 -0.0139681 0.125928 120 VAL D CA +5165 C C . VAL D 124 ? 1.01775 0.944093 1.21759 -0.0390093 -0.00394235 0.133428 120 VAL D C +5166 O O . VAL D 124 ? 0.926402 0.878872 1.16481 -0.0364502 0.00568473 0.159558 120 VAL D O +5167 C CB . VAL D 124 ? 0.990017 0.91421 1.19168 -0.0187394 0.00771853 0.127248 120 VAL D CB +5168 C CG1 . VAL D 124 ? 1.02132 0.908597 1.19375 -0.00646437 0.0267738 0.107314 120 VAL D CG1 +5169 C CG2 . VAL D 124 ? 0.993762 0.920736 1.18766 -0.0192732 -0.00254004 0.120104 120 VAL D CG2 +5170 N N . PHE D 125 ? 0.98272 0.878174 1.14728 -0.0406291 -0.00524626 0.112247 121 PHE D N +5171 C CA . PHE D 125 ? 1.00152 0.889545 1.16732 -0.0399798 0.00412794 0.116144 121 PHE D CA +5172 C C . PHE D 125 ? 1.01412 0.871701 1.15189 -0.0247382 0.0214624 0.0988222 121 PHE D C +5173 O O . PHE D 125 ? 1.03309 0.871857 1.14113 -0.021698 0.0177246 0.0794435 121 PHE D O +5174 C CB . PHE D 125 ? 1.01907 0.900349 1.1689 -0.0596459 -0.0140657 0.110791 121 PHE D CB +5175 C CG . PHE D 125 ? 1.06261 0.972554 1.23187 -0.0815247 -0.0332093 0.126616 121 PHE D CG +5176 C CD1 . PHE D 125 ? 1.07688 1.0242 1.28907 -0.0874342 -0.032202 0.15613 121 PHE D CD1 +5177 C CD2 . PHE D 125 ? 1.16436 1.06548 1.30833 -0.0974645 -0.0516055 0.113988 121 PHE D CD2 +5178 C CE1 . PHE D 125 ? 1.04604 1.02571 1.27535 -0.111881 -0.0526305 0.173683 121 PHE D CE1 +5179 C CE2 . PHE D 125 ? 1.13359 1.06078 1.28896 -0.122264 -0.070227 0.128304 121 PHE D CE2 +5180 C CZ . PHE D 125 ? 1.07521 1.04424 1.27352 -0.130702 -0.0723691 0.158763 121 PHE D CZ +5181 N N . PRO D 126 ? 1.08757 0.940787 1.23255 -0.0167523 0.0404389 0.106639 122 PRO D N +5182 C CA . PRO D 126 ? 1.1138 0.938822 1.2263 -0.00738753 0.0552629 0.0909724 122 PRO D CA +5183 C C . PRO D 126 ? 1.0999 0.90967 1.18453 -0.0135761 0.0450187 0.0792585 122 PRO D C +5184 O O . PRO D 126 ? 0.983833 0.799838 1.07862 -0.022651 0.0363025 0.0869035 122 PRO D O +5185 C CB . PRO D 126 ? 1.21723 1.04619 1.35221 0.00158765 0.0800765 0.108388 122 PRO D CB +5186 C CG . PRO D 126 ? 1.15785 1.01454 1.32892 -0.00784107 0.0701597 0.130227 122 PRO D CG +5187 C CD . PRO D 126 ? 1.16429 1.04106 1.34774 -0.0182532 0.0480747 0.132522 122 PRO D CD +5188 N N . LEU D 127 ? 1.11836 0.908827 1.16873 -0.0091756 0.0478837 0.0630215 123 LEU D N +5189 C CA . LEU D 127 ? 1.13613 0.91447 1.16269 -0.0110494 0.0440312 0.05702 123 LEU D CA +5190 C C . LEU D 127 ? 1.14439 0.912508 1.15533 -0.00536186 0.0630937 0.0574328 123 LEU D C +5191 O O . LEU D 127 ? 1.05613 0.813643 1.03938 -0.0038177 0.0680643 0.0464361 123 LEU D O +5192 C CB . LEU D 127 ? 1.1666 0.937325 1.16804 -0.0117861 0.031338 0.0432419 123 LEU D CB +5193 C CG . LEU D 127 ? 1.17746 0.952555 1.18694 -0.0173498 0.0153133 0.0403433 123 LEU D CG +5194 C CD1 . LEU D 127 ? 1.34233 1.11069 1.32949 -0.0147577 0.00760635 0.0284978 123 LEU D CD1 +5195 C CD2 . LEU D 127 ? 1.13418 0.90588 1.15019 -0.026003 0.00824 0.0460181 123 LEU D CD2 +5196 N N . ALA D 128 ? 1.14848 0.919589 1.17491 -0.00463144 0.073066 0.0702545 124 ALA D N +5197 C CA . ALA D 128 ? 1.21333 0.973512 1.22677 0.00065929 0.0949714 0.0727868 124 ALA D CA +5198 C C . ALA D 128 ? 1.24673 0.995353 1.22167 -0.00155709 0.0926673 0.0638042 124 ALA D C +5199 O O . ALA D 128 ? 1.18331 0.935528 1.15722 -0.00414553 0.0798958 0.0661462 124 ALA D O +5200 C CB . ALA D 128 ? 1.21268 0.981947 1.25617 0.00244079 0.105819 0.0913965 124 ALA D CB +5201 N N . PRO D 129 ? 1.39839 1.13231 1.34038 -0.00174367 0.107314 0.0558082 125 PRO D N +5202 C CA . PRO D 129 ? 1.37947 1.10832 1.28473 -0.00665605 0.105593 0.0521557 125 PRO D CA +5203 C C . PRO D 129 ? 1.41749 1.14534 1.3278 -0.00412253 0.117046 0.0644791 125 PRO D C +5204 O O . PRO D 129 ? 1.54739 1.26243 1.44929 -0.00226508 0.139466 0.0664291 125 PRO D O +5205 C CB . PRO D 129 ? 1.30709 1.01878 1.17242 -0.0128794 0.11822 0.0393663 125 PRO D CB +5206 C CG . PRO D 129 ? 1.38148 1.08154 1.26527 -0.00678485 0.137126 0.0384823 125 PRO D CG +5207 C CD . PRO D 129 ? 1.34999 1.06964 1.28589 0.00097697 0.128191 0.0511896 125 PRO D CD +5208 N N . SER D 130 ? 1.50286 1.24115 1.42717 -0.00354643 0.104271 0.0731527 126 SER D N +5209 C CA . SER D 130 ? 1.68273 1.42085 1.61289 -0.0014991 0.11382 0.0858356 126 SER D CA +5210 C C . SER D 130 ? 1.56987 1.30938 1.4677 -0.00426739 0.109838 0.0875989 126 SER D C +5211 O O . SER D 130 ? 1.34431 1.08513 1.21269 -0.00939373 0.10335 0.0793541 126 SER D O +5212 C CB . SER D 130 ? 1.78442 1.53068 1.75392 -0.00084796 0.106422 0.0964779 126 SER D CB +5213 O OG . SER D 130 ? 1.66767 1.41637 1.64051 -0.00362086 0.0874274 0.0927013 126 SER D OG +5214 N N . SER D 131 ? 1.52558 1.26726 1.42898 -0.0019682 0.114289 0.100595 127 SER D N +5215 C CA . SER D 131 ? 1.49589 1.24437 1.374 -0.00362153 0.109862 0.10745 127 SER D CA +5216 C C . SER D 131 ? 1.53926 1.2969 1.42772 -0.00113606 0.0920317 0.110582 127 SER D C +5217 O O . SER D 131 ? 1.37129 1.14066 1.24008 -0.00233947 0.084897 0.116215 127 SER D O +5218 C CB . SER D 131 ? 1.48548 1.23299 1.3659 -0.00088464 0.12223 0.121819 127 SER D CB +5219 O OG . SER D 131 ? 1.59163 1.33859 1.50894 0.00367244 0.120482 0.131113 127 SER D OG +5220 N N . LYS D 132 ? 1.81819 1.57066 1.73635 0.00124086 0.0859508 0.108226 128 LYS D N +5221 C CA . LYS D 132 ? 1.87132 1.62353 1.79804 0.00387739 0.073861 0.109073 128 LYS D CA +5222 C C . LYS D 132 ? 1.70076 1.45934 1.6147 0.00243174 0.0629302 0.0980787 128 LYS D C +5223 O O . LYS D 132 ? 1.46103 1.22233 1.37567 0.00606299 0.0548318 0.100722 128 LYS D O +5224 C CB . LYS D 132 ? 1.91817 1.65809 1.87257 0.00162063 0.0722279 0.107577 128 LYS D CB +5225 C CG . LYS D 132 ? 1.94906 1.6832 1.92029 -9.271e-05 0.0820978 0.118504 128 LYS D CG +5226 C CD . LYS D 132 ? 1.88514 1.61571 1.85143 0.00530419 0.0886583 0.132842 128 LYS D CD +5227 C CE . LYS D 132 ? 1.97332 1.70098 1.95361 0.00343354 0.0999157 0.143422 128 LYS D CE +5228 N NZ . LYS D 132 ? 2.03335 1.75471 2.01267 0.0086349 0.106815 0.158058 128 LYS D NZ +5229 N N . SER D 133 ? 1.76595 1.52468 1.66953 -0.0022465 0.0653536 0.0866905 129 SER D N +5230 C CA . SER D 133 ? 1.64899 1.41232 1.53806 -0.00564148 0.0570748 0.0754722 129 SER D CA +5231 C C . SER D 133 ? 1.68826 1.45969 1.54125 -0.0130127 0.0584413 0.0754783 129 SER D C +5232 O O . SER D 133 ? 1.51222 1.28042 1.34706 -0.0200763 0.0586065 0.063288 129 SER D O +5233 C CB . SER D 133 ? 1.48113 1.23629 1.38242 -0.00704226 0.0613287 0.0643031 129 SER D CB +5234 O OG . SER D 133 ? 1.64209 1.399 1.52949 -0.0105156 0.0553013 0.0529918 129 SER D OG +5235 N N . THR D 134 ? 1.72587 1.50743 1.5665 -0.0134658 0.0596022 0.0897073 130 THR D N +5236 C CA . THR D 134 ? 1.65809 1.45204 1.46061 -0.0249965 0.0579876 0.0929409 130 THR D CA +5237 C C . THR D 134 ? 1.65636 1.47652 1.46129 -0.0219446 0.0467649 0.114122 130 THR D C +5238 O O . THR D 134 ? 1.8877 1.70842 1.71694 -0.0102226 0.049474 0.127908 130 THR D O +5239 C CB . THR D 134 ? 1.58775 1.36956 1.36631 -0.0313445 0.0746495 0.0920604 130 THR D CB +5240 O OG1 . THR D 134 ? 1.83739 1.6194 1.63828 -0.021278 0.0810511 0.106416 130 THR D OG1 +5241 C CG2 . THR D 134 ? 1.46908 1.22518 1.24305 -0.0333845 0.0905582 0.0747493 130 THR D CG2 +5242 N N . SER D 135 ? 1.57492 1.41776 1.35636 -0.0329044 0.0349612 0.119034 131 SER D N +5243 C CA . SER D 135 ? 1.43884 1.31253 1.23279 -0.0272835 0.0234038 0.142866 131 SER D CA +5244 C C . SER D 135 ? 1.44546 1.35054 1.20593 -0.0463348 0.0109015 0.152331 131 SER D C +5245 O O . SER D 135 ? 1.36981 1.28516 1.12305 -0.0549009 -0.00018873 0.146109 131 SER D O +5246 C CB . SER D 135 ? 1.28291 1.15381 1.10755 -0.0143499 0.0180377 0.141126 131 SER D CB +5247 O OG . SER D 135 ? 1.2298 1.12456 1.07323 -0.00334199 0.0141858 0.167834 131 SER D OG +5248 N N . GLY D 136 ? 1.49046 1.41169 1.22956 -0.054911 0.0122763 0.168298 132 GLY D N +5249 C CA . GLY D 136 ? 1.64168 1.59857 1.34661 -0.077141 -0.00159802 0.182409 132 GLY D CA +5250 C C . GLY D 136 ? 1.75869 1.69662 1.41243 -0.104214 -0.00089521 0.156089 132 GLY D C +5251 O O . GLY D 136 ? 1.84278 1.80173 1.47429 -0.123982 -0.0156361 0.15675 132 GLY D O +5252 N N . GLY D 137 ? 1.73365 1.6307 1.36959 -0.105057 0.0183406 0.134657 133 GLY D N +5253 C CA . GLY D 137 ? 1.61936 1.48656 1.20417 -0.12824 0.0277927 0.109011 133 GLY D CA +5254 C C . GLY D 137 ? 1.52775 1.36699 1.12365 -0.123949 0.0324419 0.0839939 133 GLY D C +5255 O O . GLY D 137 ? 1.546 1.35191 1.10508 -0.138592 0.0462858 0.0617241 133 GLY D O +5256 N N . THR D 138 ? 1.46126 1.31195 1.1057 -0.104209 0.0229089 0.0884444 134 THR D N +5257 C CA . THR D 138 ? 1.4506 1.28037 1.11108 -0.0981966 0.0252869 0.0685697 134 THR D CA +5258 C C . THR D 138 ? 1.45067 1.25704 1.15038 -0.0751855 0.0391599 0.0632046 134 THR D C +5259 O O . THR D 138 ? 1.4773 1.29183 1.20349 -0.0610451 0.03971 0.0779643 134 THR D O +5260 C CB . THR D 138 ? 1.35992 1.21942 1.04394 -0.0944387 0.0050545 0.0782349 134 THR D CB +5261 O OG1 . THR D 138 ? 1.29447 1.1815 0.94309 -0.118831 -0.00878351 0.0872203 134 THR D OG1 +5262 C CG2 . THR D 138 ? 1.2782 1.12003 0.976746 -0.0897167 0.00544368 0.0593784 134 THR D CG2 +5263 N N . ALA D 139 ? 1.45556 1.234 1.15901 -0.0729527 0.0507504 0.0439639 135 ALA D N +5264 C CA . ALA D 139 ? 1.32522 1.08765 1.06753 -0.0547099 0.0614128 0.0412141 135 ALA D CA +5265 C C . ALA D 139 ? 1.18827 0.947642 0.953359 -0.0490594 0.0551697 0.0310797 135 ALA D C +5266 O O . ALA D 139 ? 1.21863 0.974294 0.962901 -0.0597412 0.0525613 0.0201673 135 ALA D O +5267 C CB . ALA D 139 ? 1.37829 1.11221 1.10549 -0.0563373 0.0863602 0.0335018 135 ALA D CB +5268 N N . ALA D 140 ? 1.16109 0.920113 0.96656 -0.0344049 0.0537722 0.0342499 136 ALA D N +5269 C CA . ALA D 140 ? 1.17156 0.929353 0.998056 -0.0297184 0.0472342 0.0262326 136 ALA D CA +5270 C C . ALA D 140 ? 1.07079 0.816982 0.927365 -0.0211756 0.0581002 0.0250534 136 ALA D C +5271 O O . ALA D 140 ? 1.1264 0.870252 0.996991 -0.0166408 0.0661297 0.0333614 136 ALA D O +5272 C CB . ALA D 140 ? 1.24631 1.0213 1.09029 -0.0236207 0.0296076 0.0339909 136 ALA D CB +5273 N N . LEU D 141 ? 1.01252 0.755614 0.8819 -0.0194433 0.0569017 0.0174056 137 LEU D N +5274 C CA . LEU D 141 ? 1.05948 0.799808 0.961408 -0.0125715 0.0642883 0.0203405 137 LEU D CA +5275 C C . LEU D 141 ? 1.08563 0.83205 1.00112 -0.0113919 0.0524822 0.0148662 137 LEU D C +5276 O O . LEU D 141 ? 1.23242 0.981276 1.12986 -0.0153478 0.0427221 0.00757631 137 LEU D O +5277 C CB . LEU D 141 ? 1.19691 0.920092 1.09148 -0.0119852 0.0891801 0.0185605 137 LEU D CB +5278 C CG . LEU D 141 ? 1.33318 1.03958 1.19966 -0.0180361 0.0988036 0.00495885 137 LEU D CG +5279 C CD1 . LEU D 141 ? 1.41883 1.12024 1.31148 -0.0105137 0.110245 0.00581615 137 LEU D CD1 +5280 C CD2 . LEU D 141 ? 1.46096 1.14427 1.28511 -0.026693 0.118922 -0.00104325 137 LEU D CD2 +5281 N N . GLY D 142 ? 1.03549 0.786853 0.982628 -0.00702693 0.0537483 0.0202602 138 GLY D N +5282 C CA . GLY D 142 ? 1.02516 0.783292 0.984274 -0.00654922 0.0428757 0.0163419 138 GLY D CA +5283 C C . GLY D 142 ? 1.09362 0.863879 1.08948 -0.00443714 0.0419407 0.0273008 138 GLY D C +5284 O O . GLY D 142 ? 1.10432 0.878459 1.12009 -0.00210183 0.0536336 0.0391486 138 GLY D O +5285 N N . CYS D 143 ? 1.13668 0.915431 1.14131 -0.00625389 0.0276131 0.0250831 139 CYS D N +5286 C CA . CYS D 143 ? 1.15004 0.945365 1.18636 -0.00783642 0.0229393 0.036482 139 CYS D CA +5287 C C . CYS D 143 ? 0.996578 0.796095 1.03016 -0.0156461 0.00241397 0.0330949 139 CYS D C +5288 O O . CYS D 143 ? 0.955162 0.746568 0.968829 -0.0150302 -0.00502953 0.0216449 139 CYS D O +5289 C CB . CYS D 143 ? 1.26573 1.06483 1.31426 -0.00198852 0.0327735 0.0384951 139 CYS D CB +5290 S SG . CYS D 143 ? 1.39071 1.18187 1.45141 0.00740668 0.0641065 0.0488264 139 CYS D SG +5291 N N . LEU D 144 ? 0.974031 0.785519 1.02676 -0.0243823 -0.00519427 0.0442464 140 LEU D N +5292 C CA . LEU D 144 ? 1.04702 0.857197 1.09233 -0.0359068 -0.0220479 0.0407249 140 LEU D CA +5293 C C . LEU D 144 ? 0.996126 0.829125 1.06365 -0.0421497 -0.0300013 0.0509237 140 LEU D C +5294 O O . LEU D 144 ? 0.943575 0.799048 1.04103 -0.0450517 -0.0274084 0.0689802 140 LEU D O +5295 C CB . LEU D 144 ? 1.12238 0.926201 1.16625 -0.0466138 -0.0252597 0.045252 140 LEU D CB +5296 C CG . LEU D 144 ? 1.12829 0.918577 1.15431 -0.0617649 -0.0383453 0.0388246 140 LEU D CG +5297 C CD1 . LEU D 144 ? 1.25041 1.01781 1.24778 -0.0539609 -0.0379368 0.0234148 140 LEU D CD1 +5298 C CD2 . LEU D 144 ? 1.08796 0.867523 1.11142 -0.0735415 -0.0380317 0.043178 140 LEU D CD2 +5299 N N . VAL D 145 ? 0.958427 0.787792 1.01258 -0.0433754 -0.038895 0.0416728 141 VAL D N +5300 C CA . VAL D 145 ? 0.968959 0.820067 1.03946 -0.0502042 -0.0483264 0.0509664 141 VAL D CA +5301 C C . VAL D 145 ? 0.99198 0.835662 1.04295 -0.0694166 -0.0645433 0.0462752 141 VAL D C +5302 O O . VAL D 145 ? 1.10819 0.929286 1.13049 -0.0687922 -0.067396 0.0305775 141 VAL D O +5303 C CB . VAL D 145 ? 1.21162 1.05958 1.27657 -0.0379035 -0.0442544 0.0424723 141 VAL D CB +5304 C CG1 . VAL D 145 ? 1.3657 1.23748 1.44829 -0.0430923 -0.0531348 0.0535647 141 VAL D CG1 +5305 C CG2 . VAL D 145 ? 1.2805 1.12351 1.3521 -0.0224425 -0.0251025 0.0420111 141 VAL D CG2 +5306 N N . LYS D 146 ? 1.09491 0.955873 1.15977 -0.0875722 -0.073439 0.060598 142 LYS D N +5307 C CA . LYS D 146 ? 1.20591 1.05192 1.24403 -0.111175 -0.0866233 0.0541499 142 LYS D CA +5308 C C . LYS D 146 ? 1.15127 1.02371 1.19548 -0.130112 -0.10309 0.0653145 142 LYS D C +5309 O O . LYS D 146 ? 1.15402 1.06588 1.23534 -0.12772 -0.105247 0.0866874 142 LYS D O +5310 C CB . LYS D 146 ? 1.24397 1.083 1.28241 -0.124052 -0.0858144 0.0589903 142 LYS D CB +5311 C CG . LYS D 146 ? 1.35535 1.15246 1.35086 -0.139172 -0.0876511 0.0414795 142 LYS D CG +5312 C CD . LYS D 146 ? 1.43776 1.21988 1.42911 -0.151401 -0.0841221 0.0438077 142 LYS D CD +5313 C CE . LYS D 146 ? 1.66019 1.39825 1.60749 -0.171755 -0.084581 0.0284233 142 LYS D CE +5314 N NZ . LYS D 146 ? 1.69384 1.43679 1.62504 -0.206679 -0.101133 0.0309989 142 LYS D NZ +5315 N N . ASP D 147 ? 1.21479 1.06292 1.22042 -0.148297 -0.112298 0.0514791 143 ASP D N +5316 C CA . ASP D 147 ? 1.22508 1.0896 1.22054 -0.17665 -0.130467 0.0589009 143 ASP D CA +5317 C C . ASP D 147 ? 1.08224 0.987419 1.10631 -0.169334 -0.136777 0.0748229 143 ASP D C +5318 O O . ASP D 147 ? 1.08225 1.0337 1.14398 -0.177238 -0.144901 0.101648 143 ASP D O +5319 C CB . ASP D 147 ? 1.38423 1.26976 1.38974 -0.206237 -0.142618 0.0758699 143 ASP D CB +5320 C CG . ASP D 147 ? 1.4396 1.28457 1.41712 -0.21768 -0.13635 0.0622432 143 ASP D CG +5321 O OD1 . ASP D 147 ? 1.61472 1.4112 1.55734 -0.206404 -0.123687 0.0388271 143 ASP D OD1 +5322 O OD2 . ASP D 147 ? 1.48456 1.34925 1.47995 -0.23555 -0.142511 0.078011 143 ASP D OD2 +5323 N N . TYR D 148 ? 1.11623 1.00545 1.12415 -0.154361 -0.132279 0.0607851 144 TYR D N +5324 C CA . TYR D 148 ? 1.16614 1.0891 1.19844 -0.146498 -0.136396 0.0746051 144 TYR D CA +5325 C C . TYR D 148 ? 1.15623 1.05769 1.14985 -0.153271 -0.14221 0.0586176 144 TYR D C +5326 O O . TYR D 148 ? 1.12614 0.983027 1.08034 -0.152668 -0.135834 0.03565 144 TYR D O +5327 C CB . TYR D 148 ? 1.13382 1.06548 1.19976 -0.114105 -0.118994 0.0788173 144 TYR D CB +5328 C CG . TYR D 148 ? 1.07925 0.971834 1.12013 -0.0939791 -0.105967 0.0537175 144 TYR D CG +5329 C CD1 . TYR D 148 ? 1.08597 0.969936 1.11261 -0.0859156 -0.105883 0.0436912 144 TYR D CD1 +5330 C CD2 . TYR D 148 ? 1.08533 0.952965 1.11727 -0.084552 -0.0948042 0.0424982 144 TYR D CD2 +5331 C CE1 . TYR D 148 ? 0.992888 0.847325 0.999474 -0.0698296 -0.0957634 0.0247435 144 TYR D CE1 +5332 C CE2 . TYR D 148 ? 1.07203 0.911514 1.08317 -0.0687226 -0.085261 0.0243132 144 TYR D CE2 +5333 C CZ . TYR D 148 ? 0.95841 0.792718 0.958161 -0.061663 -0.0860363 0.0161949 144 TYR D CZ +5334 O OH . TYR D 148 ? 0.831221 0.64479 0.814434 -0.0477152 -0.078295 0.00245077 144 TYR D OH +5335 N N . PHE D 149 ? 1.09313 1.02681 1.10017 -0.157787 -0.152016 0.073081 145 PHE D N +5336 C CA . PHE D 149 ? 1.08446 1.00076 1.05614 -0.163965 -0.156938 0.0601365 145 PHE D CA +5337 C C . PHE D 149 ? 1.09083 1.04929 1.09482 -0.155925 -0.161673 0.08031 145 PHE D C +5338 O O . PHE D 149 ? 1.02012 1.0252 1.0592 -0.165807 -0.17124 0.108439 145 PHE D O +5339 C CB . PHE D 149 ? 1.1647 1.06716 1.09159 -0.201655 -0.171947 0.0550457 145 PHE D CB +5340 C CG . PHE D 149 ? 1.21887 1.09171 1.09944 -0.20823 -0.172458 0.0378838 145 PHE D CG +5341 C CD1 . PHE D 149 ? 1.29789 1.11287 1.1372 -0.199296 -0.156832 0.0107286 145 PHE D CD1 +5342 C CD2 . PHE D 149 ? 1.19799 1.10141 1.07719 -0.222711 -0.186833 0.0513255 145 PHE D CD2 +5343 C CE1 . PHE D 149 ? 1.2783 1.06302 1.07544 -0.20329 -0.153265 -0.00386782 145 PHE D CE1 +5344 C CE2 . PHE D 149 ? 1.34589 1.21892 1.1805 -0.227391 -0.184802 0.0348876 145 PHE D CE2 +5345 C CZ . PHE D 149 ? 1.34538 1.15806 1.13965 -0.216508 -0.166893 0.0069566 145 PHE D CZ +5346 N N . PRO D 150 ? 1.23012 1.17621 1.22456 -0.139585 -0.155421 0.0698085 146 PRO D N +5347 C CA . PRO D 150 ? 1.27717 1.17453 1.23643 -0.126046 -0.143348 0.0415378 146 PRO D CA +5348 C C . PRO D 150 ? 1.41232 1.30145 1.39441 -0.0959153 -0.126307 0.0355495 146 PRO D C +5349 O O . PRO D 150 ? 1.27896 1.19142 1.29867 -0.0860538 -0.120989 0.0497397 146 PRO D O +5350 C CB . PRO D 150 ? 1.16419 1.0623 1.10582 -0.127933 -0.147904 0.0393049 146 PRO D CB +5351 C CG . PRO D 150 ? 1.08902 1.03876 1.0754 -0.12454 -0.154224 0.0667175 146 PRO D CG +5352 C CD . PRO D 150 ? 1.13762 1.1202 1.15763 -0.134 -0.159744 0.088574 146 PRO D CD +5353 N N . GLU D 151 ? 1.42085 1.27716 1.37892 -0.0826345 -0.116862 0.0161052 147 GLU D N +5354 C CA . GLU D 151 ? 1.29836 1.14926 1.27256 -0.0587433 -0.103349 0.0107317 147 GLU D CA +5355 C C . GLU D 151 ? 1.28521 1.16242 1.28879 -0.0477128 -0.10104 0.0224314 147 GLU D C +5356 O O . GLU D 151 ? 1.1938 1.08337 1.19486 -0.053413 -0.108461 0.0282461 147 GLU D O +5357 C CB . GLU D 151 ? 1.2388 1.05546 1.18286 -0.0501971 -0.0959188 -0.00742665 147 GLU D CB +5358 C CG . GLU D 151 ? 1.29272 1.08272 1.21782 -0.0532994 -0.0909709 -0.0159697 147 GLU D CG +5359 C CD . GLU D 151 ? 1.34605 1.13121 1.28131 -0.036221 -0.0804841 -0.0193982 147 GLU D CD +5360 O OE1 . GLU D 151 ? 1.19674 0.999286 1.15636 -0.0319639 -0.0783535 -0.0126262 147 GLU D OE1 +5361 O OE2 . GLU D 151 ? 1.54974 1.31455 1.46816 -0.0274912 -0.0733931 -0.0270919 147 GLU D OE2 +5362 N N . PRO D 152 ? 1.30763 1.19036 1.33634 -0.0321068 -0.0886748 0.0256861 148 PRO D N +5363 C CA . PRO D 152 ? 1.30515 1.17165 1.33204 -0.0250779 -0.0787911 0.0175116 148 PRO D CA +5364 C C . PRO D 152 ? 1.27777 1.15919 1.33452 -0.021485 -0.0698596 0.0311567 148 PRO D C +5365 O O . PRO D 152 ? 1.21716 1.12489 1.30245 -0.0223799 -0.0698638 0.0503878 148 PRO D O +5366 C CB . PRO D 152 ? 1.21265 1.06862 1.23468 -0.011927 -0.0704248 0.00768505 148 PRO D CB +5367 C CG . PRO D 152 ? 1.25597 1.13272 1.30431 -0.00738532 -0.0667993 0.0212317 148 PRO D CG +5368 C CD . PRO D 152 ? 1.32803 1.22735 1.38314 -0.0204395 -0.0807273 0.035797 148 PRO D CD +5369 N N . VAL D 153 ? 1.28632 1.15138 1.33721 -0.0159613 -0.0601494 0.0230254 149 VAL D N +5370 C CA . VAL D 153 ? 1.2561 1.12739 1.33012 -0.0101431 -0.0463718 0.0332947 149 VAL D CA +5371 C C . VAL D 153 ? 1.11562 0.965596 1.17774 -0.00012202 -0.031129 0.0204539 149 VAL D C +5372 O O . VAL D 153 ? 1.10731 0.941762 1.14417 -0.00031851 -0.0348733 0.00548574 149 VAL D O +5373 C CB . VAL D 153 ? 1.22738 1.09991 1.30305 -0.0178585 -0.0490941 0.0379156 149 VAL D CB +5374 C CG1 . VAL D 153 ? 1.40396 1.30349 1.49747 -0.0315108 -0.0622973 0.0560607 149 VAL D CG1 +5375 C CG2 . VAL D 153 ? 1.31611 1.16499 1.3593 -0.0223012 -0.0551017 0.0208932 149 VAL D CG2 +5376 N N . THR D 154 ? 1.11318 0.962527 1.19299 0.00734727 -0.0126969 0.0281925 150 THR D N +5377 C CA . THR D 154 ? 1.17423 0.999429 1.2366 0.0119793 0.00339947 0.0152861 150 THR D CA +5378 C C . THR D 154 ? 1.16487 0.980859 1.22634 0.0124205 0.0157797 0.0171284 150 THR D C +5379 O O . THR D 154 ? 1.13166 0.960916 1.2205 0.0156094 0.023216 0.034354 150 THR D O +5380 C CB . THR D 154 ? 1.32803 1.15014 1.40471 0.0195455 0.0199787 0.0205248 150 THR D CB +5381 O OG1 . THR D 154 ? 1.6083 1.42551 1.70335 0.0262103 0.0428806 0.0323706 150 THR D OG1 +5382 C CG2 . THR D 154 ? 1.31279 1.15916 1.41165 0.021122 0.00933417 0.0335383 150 THR D CG2 +5383 N N . VAL D 155 ? 1.07545 0.872397 1.10675 0.00864839 0.0171275 0.0019273 151 VAL D N +5384 C CA . VAL D 155 ? 1.18604 0.972257 1.21042 0.00804381 0.0286346 0.00209676 151 VAL D CA +5385 C C . VAL D 155 ? 1.11891 0.878775 1.11671 0.00608342 0.0469137 -0.0102464 151 VAL D C +5386 O O . VAL D 155 ? 1.14813 0.901862 1.1228 0.00010403 0.0394246 -0.0224834 151 VAL D O +5387 C CB . VAL D 155 ? 1.23019 1.01859 1.23977 0.00242356 0.0136165 -0.00209359 151 VAL D CB +5388 C CG1 . VAL D 155 ? 1.30356 1.08587 1.3137 0.00273786 0.025443 0.00274475 151 VAL D CG1 +5389 C CG2 . VAL D 155 ? 1.33483 1.14011 1.35744 -0.00051786 -0.00518904 0.00429452 151 VAL D CG2 +5390 N N . SER D 156 ? 1.00852 0.752396 1.00775 0.00941565 0.0712121 -0.0063048 152 SER D N +5391 C CA . SER D 156 ? 1.10705 0.818665 1.0713 0.00308374 0.0909785 -0.0201496 152 SER D CA +5392 C C . SER D 156 ? 1.1585 0.856882 1.11313 0.00287464 0.106684 -0.0179785 152 SER D C +5393 O O . SER D 156 ? 1.09395 0.808405 1.07811 0.0108181 0.107074 -0.00268479 152 SER D O +5394 C CB . SER D 156 ? 1.19024 0.88161 1.1587 0.00755181 0.115101 -0.0202609 152 SER D CB +5395 O OG . SER D 156 ? 1.31785 1.01095 1.32185 0.021679 0.137369 -0.00120777 152 SER D OG +5396 N N . TRP D 157 ? 1.30664 0.976453 1.21845 -0.00825845 0.119433 -0.0324542 153 TRP D N +5397 C CA . TRP D 157 ? 1.37616 1.02829 1.27343 -0.00899673 0.138508 -0.031273 153 TRP D CA +5398 C C . TRP D 157 ? 1.55873 1.16708 1.43128 -0.0110763 0.176045 -0.0387152 153 TRP D C +5399 O O . TRP D 157 ? 1.50603 1.09146 1.34438 -0.0239499 0.180658 -0.0543573 153 TRP D O +5400 C CB . TRP D 157 ? 1.36392 1.02039 1.22719 -0.0224457 0.121242 -0.0398233 153 TRP D CB +5401 C CG . TRP D 157 ? 1.3274 1.01781 1.2171 -0.0168217 0.0948987 -0.0293247 153 TRP D CG +5402 C CD1 . TRP D 157 ? 1.13769 0.851146 1.03384 -0.0182798 0.0676799 -0.0296479 153 TRP D CD1 +5403 C CD2 . TRP D 157 ? 1.1967 0.896968 1.10891 -0.00913347 0.0973763 -0.0163951 153 TRP D CD2 +5404 N NE1 . TRP D 157 ? 1.09079 0.822785 1.00876 -0.0126673 0.0549159 -0.0194153 153 TRP D NE1 +5405 C CE2 . TRP D 157 ? 1.16791 0.893836 1.09604 -0.00826792 0.0709587 -0.0113314 153 TRP D CE2 +5406 C CE3 . TRP D 157 ? 1.11298 0.801122 1.03259 -0.00327823 0.121054 -0.00811856 153 TRP D CE3 +5407 C CZ2 . TRP D 157 ? 1.20262 0.941038 1.15153 -0.0043167 0.0664174 0.0002956 153 TRP D CZ2 +5408 C CZ3 . TRP D 157 ? 1.0905 0.796579 1.03459 0.00175594 0.114657 0.00526876 153 TRP D CZ3 +5409 C CH2 . TRP D 157 ? 1.09615 0.826462 1.05366 1.39e-05 0.0870822 0.00871443 153 TRP D CH2 +5410 N N . ASN D 158 ? 1.48988 1.08597 1.38097 0.00144799 0.204318 -0.0260471 154 ASN D N +5411 C CA . ASN D 158 ? 1.48873 1.03678 1.35834 0.00306694 0.248018 -0.030336 154 ASN D CA +5412 C C . ASN D 158 ? 1.40765 0.939558 1.28424 0.00664751 0.26201 -0.0325194 154 ASN D C +5413 O O . ASN D 158 ? 1.44176 0.9257 1.27678 -0.00331551 0.289552 -0.048132 154 ASN D O +5414 C CB . ASN D 158 ? 1.64186 1.15352 1.4454 -0.017739 0.257661 -0.0511474 154 ASN D CB +5415 C CG . ASN D 158 ? 1.67746 1.20122 1.47876 -0.0171972 0.252555 -0.0447638 154 ASN D CG +5416 O OD1 . ASN D 158 ? 1.52301 1.0788 1.37303 -0.00106775 0.244926 -0.0248856 154 ASN D OD1 +5417 N ND2 . ASN D 158 ? 1.87435 1.37207 1.6184 -0.0362277 0.2583 -0.0601942 154 ASN D ND2 +5418 N N . SER D 159 ? 1.40082 0.971281 1.32862 0.0197858 0.244426 -0.0160579 155 SER D N +5419 C CA . SER D 159 ? 1.34533 0.91207 1.29318 0.0272786 0.254143 -0.0114152 155 SER D CA +5420 C C . SER D 159 ? 1.32817 0.878403 1.23398 0.0085143 0.240889 -0.0354378 155 SER D C +5421 O O . SER D 159 ? 1.31465 0.838906 1.21584 0.00945214 0.261606 -0.0390312 155 SER D O +5422 C CB . SER D 159 ? 1.33622 0.866332 1.29707 0.042547 0.304748 0.0006874 155 SER D CB +5423 O OG . SER D 159 ? 1.32544 0.871244 1.32646 0.0600434 0.320882 0.0261752 155 SER D OG +5424 N N . GLY D 160 ? 1.41099 0.978514 1.29008 -0.00782178 0.207219 -0.0488943 156 GLY D N +5425 C CA . GLY D 160 ? 1.4513 1.01208 1.29607 -0.0262987 0.191687 -0.0670623 156 GLY D CA +5426 C C . GLY D 160 ? 1.54308 1.06968 1.32359 -0.0516076 0.19924 -0.0877159 156 GLY D C +5427 O O . GLY D 160 ? 1.30999 0.841401 1.06092 -0.0712738 0.179171 -0.100075 156 GLY D O +5428 N N . ALA D 161 ? 1.59513 1.09092 1.3549 -0.0520898 0.226977 -0.0891967 157 ALA D N +5429 C CA . ALA D 161 ? 1.73577 1.192 1.42816 -0.0782281 0.240337 -0.108584 157 ALA D CA +5430 C C . ALA D 161 ? 1.82963 1.31765 1.50012 -0.0941871 0.205699 -0.111208 157 ALA D C +5431 O O . ALA D 161 ? 1.93368 1.41088 1.5527 -0.122296 0.197287 -0.125613 157 ALA D O +5432 C CB . ALA D 161 ? 1.76382 1.1744 1.44147 -0.0715077 0.284717 -0.107912 157 ALA D CB +5433 N N . LEU D 162 ? 1.79988 1.32664 1.50819 -0.077942 0.187025 -0.0956838 158 LEU D N +5434 C CA . LEU D 162 ? 1.68742 1.24421 1.38088 -0.089003 0.157769 -0.0942484 158 LEU D CA +5435 C C . LEU D 162 ? 1.44603 1.04687 1.16245 -0.0884547 0.120392 -0.0889803 158 LEU D C +5436 O O . LEU D 162 ? 1.34911 0.974258 1.11307 -0.0688765 0.109776 -0.0779084 158 LEU D O +5437 C CB . LEU D 162 ? 1.61301 1.18341 1.33287 -0.072629 0.16018 -0.0804706 158 LEU D CB +5438 C CG . LEU D 162 ? 1.64089 1.23871 1.34649 -0.0818413 0.13497 -0.0766937 158 LEU D CG +5439 C CD1 . LEU D 162 ? 1.72723 1.30273 1.36785 -0.110103 0.140489 -0.0897094 158 LEU D CD1 +5440 C CD2 . LEU D 162 ? 1.77362 1.38171 1.50934 -0.0646415 0.140015 -0.0628371 158 LEU D CD2 +5441 N N . THR D 163 ? 1.40954 1.02053 1.09069 -0.111309 0.101783 -0.0954413 159 THR D N +5442 C CA . THR D 163 ? 1.456 1.10996 1.15675 -0.110783 0.0685242 -0.0872235 159 THR D CA +5443 C C . THR D 163 ? 1.4597 1.13977 1.13745 -0.125811 0.0481763 -0.080644 159 THR D C +5444 O O . THR D 163 ? 1.56115 1.27906 1.26178 -0.119755 0.0238244 -0.0682454 159 THR D O +5445 C CB . THR D 163 ? 1.40979 1.06207 1.10403 -0.121359 0.0632138 -0.0945151 159 THR D CB +5446 O OG1 . THR D 163 ? 1.54073 1.16987 1.17884 -0.152319 0.0703262 -0.107233 159 THR D OG1 +5447 C CG2 . THR D 163 ? 1.40897 1.04123 1.13045 -0.105186 0.0814587 -0.0973058 159 THR D CG2 +5448 N N . SER D 164 ? 1.47548 1.13574 1.10797 -0.145155 0.0594103 -0.0869801 160 SER D N +5449 C CA . SER D 164 ? 1.62062 1.30879 1.22991 -0.161393 0.0404542 -0.0776673 160 SER D CA +5450 C C . SER D 164 ? 1.54076 1.25514 1.18579 -0.13913 0.0314633 -0.0608958 160 SER D C +5451 O O . SER D 164 ? 1.52858 1.22351 1.17919 -0.127576 0.0490357 -0.0617962 160 SER D O +5452 C CB . SER D 164 ? 1.98215 1.6376 1.52935 -0.189367 0.0573183 -0.0899438 160 SER D CB +5453 O OG . SER D 164 ? 2.24321 1.92958 1.76755 -0.206273 0.0384718 -0.0779386 160 SER D OG +5454 N N . GLY D 165 ? 1.50073 1.25769 1.16902 -0.133812 0.00627471 -0.0443388 161 GLY D N +5455 C CA . GLY D 165 ? 1.53038 1.30972 1.22835 -0.115212 -0.00146156 -0.0277334 161 GLY D CA +5456 C C . GLY D 165 ? 1.4938 1.2668 1.23738 -0.0881064 0.00342236 -0.0270484 161 GLY D C +5457 O O . GLY D 165 ? 1.52276 1.3016 1.28696 -0.0742148 0.00355657 -0.0174572 161 GLY D O +5458 N N . VAL D 166 ? 1.3799 1.14276 1.13779 -0.0829831 0.00623154 -0.0359724 162 VAL D N +5459 C CA . VAL D 166 ? 1.33142 1.09083 1.12876 -0.062167 0.00903604 -0.0348239 162 VAL D CA +5460 C C . VAL D 166 ? 1.28046 1.06535 1.10193 -0.0526462 -0.00984873 -0.0251812 162 VAL D C +5461 O O . VAL D 166 ? 1.23681 1.03605 1.05046 -0.0602676 -0.0204638 -0.0237826 162 VAL D O +5462 C CB . VAL D 166 ? 1.13557 0.871692 0.937473 -0.0604149 0.0242339 -0.0462 162 VAL D CB +5463 C CG1 . VAL D 166 ? 0.994955 0.736357 0.838153 -0.042149 0.0225925 -0.0413026 162 VAL D CG1 +5464 C CG2 . VAL D 166 ? 1.20451 0.909328 0.983843 -0.0664742 0.049542 -0.0539066 162 VAL D CG2 +5465 N N . HIS D 167 ? 1.25837 1.04702 1.10657 -0.0375657 -0.0122958 -0.0178137 163 HIS D N +5466 C CA . HIS D 167 ? 1.20641 1.00877 1.07464 -0.027288 -0.0241573 -0.0103714 163 HIS D CA +5467 C C . HIS D 167 ? 1.18272 0.974106 1.07457 -0.0173839 -0.0211911 -0.0140477 163 HIS D C +5468 O O . HIS D 167 ? 1.14474 0.929765 1.04676 -0.0132268 -0.0168258 -0.0108237 163 HIS D O +5469 C CB . HIS D 167 ? 1.20629 1.02075 1.0767 -0.0224185 -0.0285759 0.00400452 163 HIS D CB +5470 C CG . HIS D 167 ? 1.1971 1.03175 1.04847 -0.0325226 -0.034428 0.0140487 163 HIS D CG +5471 N ND1 . HIS D 167 ? 1.15477 1.00842 0.997779 -0.0413251 -0.0439356 0.0176681 163 HIS D ND1 +5472 C CD2 . HIS D 167 ? 1.24332 1.08662 1.08409 -0.0361654 -0.0335306 0.0246729 163 HIS D CD2 +5473 C CE1 . HIS D 167 ? 1.15582 1.0315 0.983265 -0.0519996 -0.0498502 0.0309993 163 HIS D CE1 +5474 N NE2 . HIS D 167 ? 1.17663 1.04626 1.00216 -0.0483166 -0.0434655 0.0355522 163 HIS D NE2 +5475 N N . THR D 168 ? 1.08583 0.877095 0.986209 -0.0155167 -0.0241482 -0.0192713 164 THR D N +5476 C CA . THR D 168 ? 1.04992 0.836801 0.971133 -0.00873753 -0.0249695 -0.0194748 164 THR D CA +5477 C C . THR D 168 ? 1.05508 0.845768 0.980822 -0.00304067 -0.0343121 -0.0159435 164 THR D C +5478 O O . THR D 168 ? 1.12018 0.917517 1.04318 -0.00190325 -0.0391503 -0.0166549 164 THR D O +5479 C CB . THR D 168 ? 1.10148 0.885114 1.03149 -0.00923113 -0.0200293 -0.0248766 164 THR D CB +5480 O OG1 . THR D 168 ? 1.17265 0.946422 1.09853 -0.0123714 -0.00562002 -0.0265996 164 THR D OG1 +5481 C CG2 . THR D 168 ? 1.13673 0.923084 1.08801 -0.00497881 -0.0241952 -0.0213121 164 THR D CG2 +5482 N N . PHE D 169 ? 1.0614 0.844703 0.993235 -0.00031167 -0.0347204 -0.0122944 165 PHE D N +5483 C CA . PHE D 169 ? 1.04696 0.82423 0.976663 0.00482514 -0.0377249 -0.00915731 165 PHE D CA +5484 C C . PHE D 169 ? 1.01777 0.789279 0.951071 0.00413057 -0.0417555 -0.0142521 165 PHE D C +5485 O O . PHE D 169 ? 0.961626 0.734753 0.903715 -0.00118075 -0.0437691 -0.0170638 165 PHE D O +5486 C CB . PHE D 169 ? 1.0576 0.822765 0.986261 0.00514907 -0.0333871 -0.00422991 165 PHE D CB +5487 C CG . PHE D 169 ? 0.990473 0.762937 0.914485 0.00717313 -0.0295184 0.00373433 165 PHE D CG +5488 C CD1 . PHE D 169 ? 0.983873 0.761409 0.904161 0.0144909 -0.0279867 0.0143519 165 PHE D CD1 +5489 C CD2 . PHE D 169 ? 0.928945 0.704276 0.853189 0.00214285 -0.0260513 0.00325197 165 PHE D CD2 +5490 C CE1 . PHE D 169 ? 1.01418 0.80357 0.930867 0.0150016 -0.025938 0.0250159 165 PHE D CE1 +5491 C CE2 . PHE D 169 ? 0.922782 0.70485 0.838994 0.00222848 -0.0228462 0.0108485 165 PHE D CE2 +5492 C CZ . PHE D 169 ? 0.977289 0.768414 0.889572 0.00777659 -0.0242279 0.0220954 165 PHE D CZ +5493 N N . PRO D 170 ? 1.00269 0.768266 0.929496 0.00985213 -0.0418566 -0.0129359 166 PRO D N +5494 C CA . PRO D 170 ? 1.05108 0.805836 0.974115 0.00823875 -0.0439996 -0.017738 166 PRO D CA +5495 C C . PRO D 170 ? 1.12543 0.864483 1.04427 -0.00155999 -0.0444226 -0.0202961 166 PRO D C +5496 O O . PRO D 170 ? 1.21895 0.943529 1.13156 -0.00230936 -0.0389014 -0.0179155 166 PRO D O +5497 C CB . PRO D 170 ? 0.985844 0.730861 0.900062 0.0180592 -0.0380181 -0.0133859 166 PRO D CB +5498 C CG . PRO D 170 ? 0.935396 0.699549 0.855789 0.0247389 -0.0370875 -0.00375156 166 PRO D CG +5499 C CD . PRO D 170 ? 0.995903 0.766051 0.918978 0.0184445 -0.0383409 -0.00395275 166 PRO D CD +5500 N N . ALA D 171 ? 1.18021 0.923851 1.10262 -0.0103358 -0.0512664 -0.0233553 167 ALA D N +5501 C CA . ALA D 171 ? 1.16384 0.897385 1.08054 -0.0248336 -0.0550363 -0.0239783 167 ALA D CA +5502 C C . ALA D 171 ? 1.14638 0.847176 1.03613 -0.027783 -0.0487676 -0.0291819 167 ALA D C +5503 O O . ALA D 171 ? 1.18866 0.87949 1.06795 -0.0187046 -0.043424 -0.0315356 167 ALA D O +5504 C CB . ALA D 171 ? 1.21645 0.968125 1.14343 -0.0336765 -0.0647361 -0.021994 167 ALA D CB +5505 N N . VAL D 172 ? 1.15017 0.831901 1.02798 -0.0411017 -0.047304 -0.030361 168 VAL D N +5506 C CA . VAL D 172 ? 1.24434 0.88576 1.09029 -0.0476961 -0.0377366 -0.037154 168 VAL D CA +5507 C C . VAL D 172 ? 1.30178 0.937244 1.13174 -0.0743454 -0.0481731 -0.0413819 168 VAL D C +5508 O O . VAL D 172 ? 1.26972 0.932498 1.11896 -0.0859852 -0.0606231 -0.0347729 168 VAL D O +5509 C CB . VAL D 172 ? 1.30257 0.91715 1.14052 -0.0420064 -0.0227335 -0.0350997 168 VAL D CB +5510 C CG1 . VAL D 172 ? 1.21786 0.847485 1.07371 -0.0183369 -0.0153911 -0.0262175 168 VAL D CG1 +5511 C CG2 . VAL D 172 ? 1.40142 1.01784 1.24511 -0.0571679 -0.0273644 -0.0327107 168 VAL D CG2 +5512 N N . LEU D 173 ? 1.30401 0.904094 1.09789 -0.0848426 -0.0419588 -0.0506317 169 LEU D N +5513 C CA . LEU D 173 ? 1.32235 0.913488 1.09164 -0.115724 -0.0524198 -0.0551299 169 LEU D CA +5514 C C . LEU D 173 ? 1.27056 0.824929 1.01459 -0.135129 -0.0449478 -0.0599318 169 LEU D C +5515 O O . LEU D 173 ? 1.19868 0.705065 0.914678 -0.129754 -0.0241503 -0.0678143 169 LEU D O +5516 C CB . LEU D 173 ? 1.43938 1.00737 1.1752 -0.121119 -0.0487656 -0.0642017 169 LEU D CB +5517 C CG . LEU D 173 ? 1.53886 1.10573 1.24683 -0.156456 -0.0635991 -0.0672887 169 LEU D CG +5518 C CD1 . LEU D 173 ? 1.58169 1.21121 1.33011 -0.161575 -0.0874167 -0.0520113 169 LEU D CD1 +5519 C CD2 . LEU D 173 ? 1.56151 1.09166 1.2251 -0.162057 -0.0540193 -0.0790556 169 LEU D CD2 +5520 N N . GLN D 174 ? 1.34955 0.925582 1.10339 -0.158676 -0.0605063 -0.0535864 170 GLN D N +5521 C CA . GLN D 174 ? 1.44222 0.986252 1.17325 -0.181355 -0.0555317 -0.0573167 170 GLN D CA +5522 C C . GLN D 174 ? 1.48732 0.988387 1.16224 -0.214597 -0.0544024 -0.0705591 170 GLN D C +5523 O O . GLN D 174 ? 1.41038 0.92079 1.07126 -0.223966 -0.0639895 -0.0729163 170 GLN D O +5524 C CB . GLN D 174 ? 1.44783 1.03569 1.21449 -0.193614 -0.0723235 -0.0425082 170 GLN D CB +5525 C CG . GLN D 174 ? 1.45986 1.08604 1.27573 -0.163008 -0.071287 -0.0307693 170 GLN D CG +5526 C CD . GLN D 174 ? 1.62698 1.29512 1.47914 -0.172788 -0.0839491 -0.0142711 170 GLN D CD +5527 O OE1 . GLN D 174 ? 1.63437 1.30935 1.509 -0.159092 -0.0768387 -0.0081795 170 GLN D OE1 +5528 N NE2 . GLN D 174 ? 1.78862 1.48902 1.64937 -0.195499 -0.102249 -0.00401052 170 GLN D NE2 +5529 N N . SER D 175 ? 1.54469 0.99571 1.18397 -0.234593 -0.0415836 -0.0794943 171 SER D N +5530 C CA . SER D 175 ? 1.57373 0.975474 1.15068 -0.272224 -0.0382994 -0.0942843 171 SER D CA +5531 C C . SER D 175 ? 1.55722 1.00283 1.13376 -0.310539 -0.070019 -0.0862943 171 SER D C +5532 O O . SER D 175 ? 1.54141 0.959962 1.06661 -0.343753 -0.0737371 -0.0966749 171 SER D O +5533 C CB . SER D 175 ? 1.59069 0.929261 1.1312 -0.287639 -0.0169535 -0.104588 171 SER D CB +5534 O OG . SER D 175 ? 1.58391 0.951392 1.15004 -0.304742 -0.0318457 -0.0936877 171 SER D OG +5535 N N . SER D 176 ? 1.55135 1.06498 1.18491 -0.305931 -0.0913058 -0.0658322 172 SER D N +5536 C CA . SER D 176 ? 1.5821 1.1515 1.23103 -0.336457 -0.121301 -0.0494507 172 SER D CA +5537 C C . SER D 176 ? 1.51595 1.11957 1.17443 -0.327527 -0.132732 -0.0441266 172 SER D C +5538 O O . SER D 176 ? 1.41663 1.06529 1.08282 -0.353808 -0.156711 -0.0290007 172 SER D O +5539 C CB . SER D 176 ? 1.45295 1.08063 1.16301 -0.330564 -0.134314 -0.0261779 172 SER D CB +5540 O OG . SER D 176 ? 1.21605 0.870147 0.975149 -0.285207 -0.126007 -0.0192472 172 SER D OG +5541 N N . GLY D 177 ? 1.455 1.04122 1.11623 -0.290683 -0.115883 -0.0535345 173 GLY D N +5542 C CA . GLY D 177 ? 1.37122 0.985931 1.04263 -0.278616 -0.123621 -0.0493158 173 GLY D CA +5543 C C . GLY D 177 ? 1.27066 0.950079 1.01021 -0.250742 -0.133276 -0.0289615 173 GLY D C +5544 O O . GLY D 177 ? 1.31419 1.02158 1.06916 -0.239632 -0.139491 -0.0227232 173 GLY D O +5545 N N . LEU D 178 ? 1.27439 0.973198 1.05181 -0.239705 -0.131935 -0.0190579 174 LEU D N +5546 C CA . LEU D 178 ? 1.25302 1.0027 1.08945 -0.213095 -0.135048 -0.00167074 174 LEU D CA +5547 C C . LEU D 178 ? 1.28128 1.01062 1.12873 -0.176731 -0.115495 -0.0112686 174 LEU D C +5548 O O . LEU D 178 ? 1.29874 0.987539 1.12391 -0.173532 -0.101876 -0.0231331 174 LEU D O +5549 C CB . LEU D 178 ? 1.26604 1.05454 1.13753 -0.227153 -0.14607 0.0190089 174 LEU D CB +5550 C CG . LEU D 178 ? 1.31183 1.13021 1.17715 -0.267584 -0.168511 0.0344377 174 LEU D CG +5551 C CD1 . LEU D 178 ? 1.34454 1.18505 1.23277 -0.285624 -0.175556 0.0507791 174 LEU D CD1 +5552 C CD2 . LEU D 178 ? 1.33442 1.20794 1.23455 -0.262618 -0.18115 0.0557606 174 LEU D CD2 +5553 N N . TYR D 179 ? 1.30162 1.06064 1.1839 -0.150856 -0.113843 -0.00411787 175 TYR D N +5554 C CA . TYR D 179 ? 1.20044 0.948345 1.09361 -0.120433 -0.0986529 -0.010604 175 TYR D CA +5555 C C . TYR D 179 ? 1.11631 0.879829 1.0391 -0.112961 -0.0947432 -0.00126405 175 TYR D C +5556 O O . TYR D 179 ? 1.08582 0.879668 1.03392 -0.123644 -0.102911 0.0140009 175 TYR D O +5557 C CB . TYR D 179 ? 1.16608 0.933516 1.07592 -0.101158 -0.098075 -0.00906903 175 TYR D CB +5558 C CG . TYR D 179 ? 1.18158 0.929985 1.06168 -0.103183 -0.0982175 -0.0191876 175 TYR D CG +5559 C CD1 . TYR D 179 ? 1.09443 0.809976 0.952929 -0.0880551 -0.0846599 -0.0316835 175 TYR D CD1 +5560 C CD2 . TYR D 179 ? 1.12299 0.889369 0.998706 -0.119581 -0.111083 -0.013228 175 TYR D CD2 +5561 C CE1 . TYR D 179 ? 1.15442 0.852328 0.987756 -0.0877809 -0.0818825 -0.0392078 175 TYR D CE1 +5562 C CE2 . TYR D 179 ? 1.19875 0.946252 1.04496 -0.121524 -0.109825 -0.022481 175 TYR D CE2 +5563 C CZ . TYR D 179 ? 1.26235 0.973976 1.08735 -0.104842 -0.0941737 -0.0361158 175 TYR D CZ +5564 O OH . TYR D 179 ? 1.51096 1.20407 1.30848 -0.105471 -0.0906453 -0.0435074 175 TYR D OH +5565 N N . SER D 180 ? 1.13971 0.884907 1.0605 -0.093972 -0.0815089 -0.00812669 176 SER D N +5566 C CA . SER D 180 ? 1.16066 0.916805 1.10419 -0.0859126 -0.0757638 -0.0006985 176 SER D CA +5567 C C . SER D 180 ? 1.17546 0.923965 1.1195 -0.0622737 -0.063969 -0.00621744 176 SER D C +5568 O O . SER D 180 ? 1.23137 0.954919 1.15349 -0.0555602 -0.0575556 -0.0147591 176 SER D O +5569 C CB . SER D 180 ? 1.22182 0.958654 1.15259 -0.101962 -0.0748254 -0.00074252 176 SER D CB +5570 O OG . SER D 180 ? 1.35847 1.10538 1.31061 -0.0936134 -0.0683398 0.00708661 176 SER D OG +5571 N N . LEU D 181 ? 1.01343 0.783295 0.981329 -0.0508726 -0.0599398 0.00023292 177 LEU D N +5572 C CA . LEU D 181 ? 1.01789 0.783095 0.981967 -0.0342977 -0.050984 -0.00433284 177 LEU D CA +5573 C C . LEU D 181 ? 1.02553 0.800535 1.00454 -0.0293908 -0.0431955 0.00201054 177 LEU D C +5574 O O . LEU D 181 ? 1.08098 0.871823 1.08093 -0.0333288 -0.0426383 0.0111746 177 LEU D O +5575 C CB . LEU D 181 ? 1.03888 0.811849 1.00309 -0.0258013 -0.051978 -0.00861147 177 LEU D CB +5576 C CG . LEU D 181 ? 1.05085 0.843623 1.03584 -0.0212778 -0.0488389 -0.00385226 177 LEU D CG +5577 C CD1 . LEU D 181 ? 1.01783 0.809629 1.0022 -0.0130255 -0.038121 -0.00544108 177 LEU D CD1 +5578 C CD2 . LEU D 181 ? 1.04574 0.8435 1.02955 -0.0183292 -0.0528598 -0.00745738 177 LEU D CD2 +5579 N N . SER D 182 ? 1.04602 0.812479 1.01387 -0.02086 -0.0362881 -0.00084119 178 SER D N +5580 C CA . SER D 182 ? 1.15306 0.924573 1.12681 -0.0169402 -0.0273783 0.0033684 178 SER D CA +5581 C C . SER D 182 ? 1.09192 0.866934 1.05689 -0.0100474 -0.0227272 -0.00160167 178 SER D C +5582 O O . SER D 182 ? 1.0094 0.78324 0.963123 -0.00717315 -0.0272774 -0.00635411 178 SER D O +5583 C CB . SER D 182 ? 1.31401 1.07429 1.27921 -0.0169205 -0.0237521 0.00626892 178 SER D CB +5584 O OG . SER D 182 ? 1.43414 1.18778 1.38276 -0.00987115 -0.0229189 0.00400102 178 SER D OG +5585 N N . SER D 183 ? 0.968508 0.746137 0.937199 -0.00892274 -0.0122896 0.0001075 179 SER D N +5586 C CA . SER D 183 ? 0.951061 0.726076 0.903556 -0.00775792 -0.00540846 -0.00579807 179 SER D CA +5587 C C . SER D 183 ? 0.966083 0.735737 0.907723 -0.00899003 0.00468733 -0.00326764 179 SER D C +5588 O O . SER D 183 ? 0.930413 0.698949 0.885977 -0.00813781 0.0130804 0.00301505 179 SER D O +5589 C CB . SER D 183 ? 1.11783 0.892773 1.07966 -0.00674007 0.00302999 -0.00765284 179 SER D CB +5590 O OG . SER D 183 ? 1.19871 0.964648 1.13887 -0.00949721 0.0114801 -0.0157603 179 SER D OG +5591 N N . VAL D 184 ? 0.993408 0.762412 0.910913 -0.0120395 0.00408408 -0.00612076 180 VAL D N +5592 C CA . VAL D 184 ? 1.05169 0.816369 0.954355 -0.0150769 0.0130019 -0.00313381 180 VAL D CA +5593 C C . VAL D 184 ? 1.03954 0.798716 0.911856 -0.0243125 0.0191995 -0.0105945 180 VAL D C +5594 O O . VAL D 184 ? 1.06914 0.830664 0.932157 -0.0288054 0.0138152 -0.0168719 180 VAL D O +5595 C CB . VAL D 184 ? 1.15688 0.928608 1.05702 -0.0130357 0.00528055 0.00562402 180 VAL D CB +5596 C CG1 . VAL D 184 ? 1.29888 1.06817 1.22177 -0.00796461 0.00126318 0.0106048 180 VAL D CG1 +5597 C CG2 . VAL D 184 ? 1.20865 0.9925 1.09556 -0.0144051 -0.00546513 0.00753512 180 VAL D CG2 +5598 N N . VAL D 185 ? 1.12832 0.879136 0.981928 -0.0293549 0.0306357 -0.00969912 181 VAL D N +5599 C CA . VAL D 185 ? 1.27016 1.01292 1.08504 -0.0436468 0.0362996 -0.0170831 181 VAL D CA +5600 C C . VAL D 185 ? 1.21479 0.960068 1.00847 -0.0495957 0.0388655 -0.0103234 181 VAL D C +5601 O O . VAL D 185 ? 1.15251 0.889175 0.954901 -0.0434841 0.0507868 -0.00603415 181 VAL D O +5602 C CB . VAL D 185 ? 1.36118 1.07738 1.16621 -0.046724 0.057437 -0.02833 181 VAL D CB +5603 C CG1 . VAL D 185 ? 1.30345 1.00823 1.13417 -0.034464 0.0758904 -0.0227981 181 VAL D CG1 +5604 C CG2 . VAL D 185 ? 1.54721 1.24465 1.30245 -0.0658154 0.0683082 -0.0384133 181 VAL D CG2 +5605 N N . THR D 186 ? 1.27916 1.04025 1.04723 -0.0619459 0.0267701 -0.00666758 182 THR D N +5606 C CA . THR D 186 ? 1.29028 1.05862 1.03436 -0.0704578 0.0272312 0.00202252 182 THR D CA +5607 C C . THR D 186 ? 1.2574 1.00394 0.952439 -0.0913735 0.0410419 -0.0101818 182 THR D C +5608 O O . THR D 186 ? 1.32449 1.06282 0.996553 -0.105601 0.0405361 -0.0214894 182 THR D O +5609 C CB . THR D 186 ? 1.34638 1.14957 1.09309 -0.0725014 0.00661912 0.0185542 182 THR D CB +5610 O OG1 . THR D 186 ? 1.34452 1.16137 1.09462 -0.0764456 -0.00636805 0.0168751 182 THR D OG1 +5611 C CG2 . THR D 186 ? 1.34346 1.15769 1.12852 -0.0524303 0.0018745 0.0326087 182 THR D CG2 +5612 N N . VAL D 187 ? 1.21751 0.951346 0.893832 -0.0943354 0.0550922 -0.00825988 183 VAL D N +5613 C CA . VAL D 187 ? 1.24814 0.953027 0.871708 -0.114504 0.073512 -0.0204729 183 VAL D CA +5614 C C . VAL D 187 ? 1.29041 1.00612 0.891584 -0.121752 0.0727916 -0.00863186 183 VAL D C +5615 O O . VAL D 187 ? 1.3866 1.11865 1.02048 -0.104902 0.0688546 0.00599921 183 VAL D O +5616 C CB . VAL D 187 ? 1.31283 0.976447 0.940647 -0.104962 0.104369 -0.0325297 183 VAL D CB +5617 C CG1 . VAL D 187 ? 1.31932 0.968493 0.95946 -0.101925 0.109054 -0.0442188 183 VAL D CG1 +5618 C CG2 . VAL D 187 ? 1.31525 0.982702 0.989276 -0.0808727 0.112261 -0.020625 183 VAL D CG2 +5619 N N . PRO D 188 ? 1.37968 1.08625 0.922442 -0.148547 0.076832 -0.013664 184 PRO D N +5620 C CA . PRO D 188 ? 1.43652 1.15293 0.957347 -0.155064 0.0779201 -0.00126568 184 PRO D CA +5621 C C . PRO D 188 ? 1.38985 1.08247 0.93024 -0.135061 0.102062 -0.00032403 184 PRO D C +5622 O O . PRO D 188 ? 1.34282 0.998645 0.885523 -0.127685 0.126764 -0.0137678 184 PRO D O +5623 C CB . PRO D 188 ? 1.58829 1.2856 1.03372 -0.191752 0.0838124 -0.0136961 184 PRO D CB +5624 C CG . PRO D 188 ? 1.55779 1.25992 0.996333 -0.205746 0.0703058 -0.0233402 184 PRO D CG +5625 C CD . PRO D 188 ? 1.51851 1.20488 1.01027 -0.176671 0.0799536 -0.0308701 184 PRO D CD +5626 N N . SER D 189 ? 1.45793 1.17344 1.0151 -0.125822 0.0959355 0.0183563 185 SER D N +5627 C CA . SER D 189 ? 1.59299 1.29209 1.17565 -0.106541 0.116037 0.0226635 185 SER D CA +5628 C C . SER D 189 ? 1.47634 1.13349 1.01134 -0.117815 0.147256 0.0103313 185 SER D C +5629 O O . SER D 189 ? 1.49849 1.13481 1.05481 -0.101602 0.170314 0.0112338 185 SER D O +5630 C CB . SER D 189 ? 1.71042 1.44046 1.32166 -0.0945128 0.104094 0.0456143 185 SER D CB +5631 O OG . SER D 189 ? 1.79013 1.53791 1.362 -0.111714 0.0968457 0.0568522 185 SER D OG +5632 N N . SER D 190 ? 1.5126 1.15648 0.982012 -0.146798 0.14934 -0.00015077 186 SER D N +5633 C CA . SER D 190 ? 1.6153 1.21079 1.02843 -0.160727 0.182741 -0.0142758 186 SER D CA +5634 C C . SER D 190 ? 1.59832 1.14584 1.00239 -0.159318 0.210213 -0.0353886 186 SER D C +5635 O O . SER D 190 ? 1.7035 1.20249 1.06734 -0.165363 0.245541 -0.0470664 186 SER D O +5636 C CB . SER D 190 ? 1.69547 1.29302 1.03452 -0.196629 0.175218 -0.0165829 186 SER D CB +5637 O OG . SER D 190 ? 1.76206 1.38739 1.08688 -0.217539 0.145976 -0.0176922 186 SER D OG +5638 N N . SER D 191 ? 1.48077 1.03946 0.922135 -0.150132 0.197174 -0.0389908 187 SER D N +5639 C CA . SER D 191 ? 1.51724 1.03469 0.957282 -0.146141 0.222721 -0.0552728 187 SER D CA +5640 C C . SER D 191 ? 1.66015 1.18261 1.17339 -0.111655 0.23305 -0.0446571 187 SER D C +5641 O O . SER D 191 ? 1.69968 1.21281 1.23797 -0.102539 0.238686 -0.0502089 187 SER D O +5642 C CB . SER D 191 ? 1.58535 1.11252 1.01511 -0.161659 0.201585 -0.0655594 187 SER D CB +5643 O OG . SER D 191 ? 1.46982 1.04366 0.962248 -0.143432 0.170773 -0.052692 187 SER D OG +5644 N N . LEU D 192 ? 1.70913 1.25094 1.25952 -0.093753 0.232841 -0.0273087 188 LEU D N +5645 C CA . LEU D 192 ? 1.74362 1.30123 1.36579 -0.0661749 0.234009 -0.0142328 188 LEU D CA +5646 C C . LEU D 192 ? 1.9017 1.42164 1.53119 -0.0530875 0.276622 -0.0133043 188 LEU D C +5647 O O . LEU D 192 ? 2.11814 1.63537 1.78703 -0.0384494 0.286214 -0.0102118 188 LEU D O +5648 C CB . LEU D 192 ? 1.58398 1.1802 1.24875 -0.0538999 0.213354 0.00490677 188 LEU D CB +5649 C CG . LEU D 192 ? 1.55341 1.18857 1.24074 -0.0548849 0.174845 0.00900885 188 LEU D CG +5650 C CD1 . LEU D 192 ? 1.57909 1.24112 1.29527 -0.0457754 0.161757 0.0268186 188 LEU D CD1 +5651 C CD2 . LEU D 192 ? 1.52821 1.17083 1.25761 -0.0439616 0.166907 0.00683464 188 LEU D CD2 +5652 N N . GLY D 193 ? 1.77275 1.26522 1.36438 -0.0581992 0.302857 -0.0137595 189 GLY D N +5653 C CA . GLY D 193 ? 1.91444 1.36752 1.50992 -0.0446284 0.348955 -0.0106179 189 GLY D CA +5654 C C . GLY D 193 ? 1.9207 1.32072 1.4702 -0.0549969 0.379443 -0.0305609 189 GLY D C +5655 O O . GLY D 193 ? 2.12432 1.47628 1.64775 -0.0514777 0.424617 -0.033088 189 GLY D O +5656 N N . THR D 194 ? 1.75623 1.16053 1.29481 -0.0673126 0.358884 -0.0441992 190 THR D N +5657 C CA . THR D 194 ? 1.87046 1.2192 1.35299 -0.083366 0.387527 -0.0658139 190 THR D CA +5658 C C . THR D 194 ? 1.9804 1.33472 1.49619 -0.0761149 0.380282 -0.0689736 190 THR D C +5659 O O . THR D 194 ? 1.97367 1.28049 1.44871 -0.0878253 0.405455 -0.0861245 190 THR D O +5660 C CB . THR D 194 ? 1.88186 1.21613 1.28077 -0.12114 0.374031 -0.0855758 190 THR D CB +5661 O OG1 . THR D 194 ? 2.02254 1.2857 1.35841 -0.136269 0.417723 -0.105829 190 THR D OG1 +5662 C CG2 . THR D 194 ? 1.93436 1.30621 1.33184 -0.138257 0.32885 -0.0917654 190 THR D CG2 +5663 N N . GLN D 195 ? 1.94273 1.35031 1.52919 -0.0579257 0.348886 -0.0529873 191 GLN D N +5664 C CA . GLN D 195 ? 1.81463 1.22752 1.43103 -0.0511356 0.343189 -0.0549147 191 GLN D CA +5665 C C . GLN D 195 ? 1.78684 1.24536 1.48777 -0.0237058 0.329649 -0.0304266 191 GLN D C +5666 O O . GLN D 195 ? 1.86191 1.36159 1.5938 -0.0183274 0.303139 -0.0173809 191 GLN D O +5667 C CB . GLN D 195 ? 1.92263 1.35397 1.5096 -0.0743325 0.305333 -0.0699477 191 GLN D CB +5668 C CG . GLN D 195 ? 1.82571 1.23954 1.40951 -0.0784291 0.309736 -0.0814668 191 GLN D CG +5669 C CD . GLN D 195 ? 1.90084 1.2948 1.41356 -0.113106 0.299698 -0.103883 191 GLN D CD +5670 O OE1 . GLN D 195 ? 1.8665 1.22782 1.31421 -0.135916 0.314388 -0.116022 191 GLN D OE1 +5671 N NE2 . GLN D 195 ? 1.92738 1.34431 1.45127 -0.119448 0.272563 -0.108071 191 GLN D NE2 +5672 N N . THR D 196 ? 1.69959 1.14928 1.43453 -0.00875673 0.348522 -0.0239541 192 THR D N +5673 C CA . THR D 196 ? 1.71137 1.20605 1.52367 0.0129009 0.334527 5.458e-05 192 THR D CA +5674 C C . THR D 196 ? 1.6683 1.19283 1.49459 0.00711561 0.296892 -0.00628887 192 THR D C +5675 O O . THR D 196 ? 1.60336 1.10455 1.4045 -0.00090956 0.30284 -0.0210749 192 THR D O +5676 C CB . THR D 196 ? 1.66097 1.13617 1.50919 0.0346581 0.378192 0.0181555 192 THR D CB +5677 O OG1 . THR D 196 ? 2.03204 1.50576 1.89114 0.0440793 0.398232 0.033382 192 THR D OG1 +5678 C CG2 . THR D 196 ? 1.56732 1.08929 1.4903 0.0521121 0.362857 0.0425845 192 THR D CG2 +5679 N N . TYR D 197 ? 1.55197 1.12549 1.41732 0.0107486 0.260134 0.00520796 193 TYR D N +5680 C CA . TYR D 197 ? 1.47469 1.07673 1.35399 0.00649175 0.225174 0.00077055 193 TYR D CA +5681 C C . TYR D 197 ? 1.43203 1.06639 1.37579 0.0226262 0.219458 0.0223936 193 TYR D C +5682 O O . TYR D 197 ? 1.55712 1.21649 1.53706 0.0300946 0.214778 0.0407738 193 TYR D O +5683 C CB . TYR D 197 ? 1.3913 1.01611 1.25277 -0.00559149 0.190151 -0.00572298 193 TYR D CB +5684 C CG . TYR D 197 ? 1.50185 1.10301 1.30182 -0.0234101 0.194144 -0.0214816 193 TYR D CG +5685 C CD1 . TYR D 197 ? 1.38727 0.972157 1.14248 -0.0409892 0.189594 -0.0395581 193 TYR D CD1 +5686 C CD2 . TYR D 197 ? 1.77531 1.37274 1.56093 -0.0249918 0.20169 -0.0166199 193 TYR D CD2 +5687 C CE1 . TYR D 197 ? 1.47649 1.04472 1.17364 -0.0618674 0.190675 -0.0514275 193 TYR D CE1 +5688 C CE2 . TYR D 197 ? 1.80362 1.38325 1.53138 -0.0435439 0.20388 -0.0286783 193 TYR D CE2 +5689 C CZ . TYR D 197 ? 1.75342 1.31919 1.4358 -0.0632774 0.197895 -0.0457939 193 TYR D CZ +5690 O OH . TYR D 197 ? 1.8113 1.36345 1.43426 -0.0859111 0.198245 -0.0554018 193 TYR D OH +5691 N N . ILE D 198 ? 1.44606 1.08084 1.40271 0.0259398 0.219758 0.0213206 194 ILE D N +5692 C CA . ILE D 198 ? 1.32957 0.998912 1.34358 0.0379107 0.210951 0.0425326 194 ILE D CA +5693 C C . ILE D 198 ? 1.31597 1.00362 1.32874 0.0307175 0.179112 0.0326859 194 ILE D C +5694 O O . ILE D 198 ? 1.27092 0.936752 1.25456 0.0248687 0.182797 0.0161051 194 ILE D O +5695 C CB . ILE D 198 ? 1.34355 0.996418 1.38255 0.0534701 0.24994 0.0579391 194 ILE D CB +5696 C CG1 . ILE D 198 ? 1.36602 1.00848 1.42012 0.0648523 0.282708 0.0754298 194 ILE D CG1 +5697 C CG2 . ILE D 198 ? 1.39022 1.08257 1.48403 0.0626805 0.2369 0.0796493 194 ILE D CG2 +5698 C CD1 . ILE D 198 ? 1.3137 0.949223 1.40784 0.08497 0.322332 0.100145 194 ILE D CD1 +5699 N N . CYS D 199 ? 1.26055 0.986338 1.3034 0.0298511 0.149171 0.043101 195 CYS D N +5700 C CA . CYS D 199 ? 1.36367 1.10477 1.40552 0.0242698 0.122033 0.0352038 195 CYS D CA +5701 C C . CYS D 199 ? 1.10761 0.869877 1.19169 0.0329749 0.124387 0.0533368 195 CYS D C +5702 O O . CYS D 199 ? 0.959754 0.746769 1.0845 0.0390306 0.127508 0.0771222 195 CYS D O +5703 C CB . CYS D 199 ? 1.48747 1.24827 1.52505 0.0156423 0.0900631 0.0315207 195 CYS D CB +5704 S SG . CYS D 199 ? 1.4602 1.25685 1.54348 0.0157086 0.0757129 0.055232 195 CYS D SG +5705 N N . ASN D 200 ? 1.08549 0.840707 1.1604 0.0325504 0.122325 0.0439794 196 ASN D N +5706 C CA . ASN D 200 ? 1.14949 0.923205 1.2617 0.0412843 0.126678 0.0614974 196 ASN D CA +5707 C C . ASN D 200 ? 1.11198 0.913305 1.22875 0.0332913 0.091587 0.0593297 196 ASN D C +5708 O O . ASN D 200 ? 1.04952 0.839808 1.13514 0.0260319 0.07714 0.0391031 196 ASN D O +5709 C CB . ASN D 200 ? 1.20074 0.942313 1.30123 0.0478317 0.15596 0.0550926 196 ASN D CB +5710 C CG . ASN D 200 ? 1.24924 0.94661 1.31106 0.0454326 0.183877 0.0399958 196 ASN D CG +5711 O OD1 . ASN D 200 ? 1.31784 0.994428 1.3332 0.0319202 0.175151 0.0159794 196 ASN D OD1 +5712 N ND2 . ASN D 200 ? 1.38101 1.06472 1.45986 0.0571706 0.217743 0.0553361 196 ASN D ND2 +5713 N N . VAL D 201 ? 1.04481 0.882641 1.20003 0.0334449 0.0790427 0.0820747 197 VAL D N +5714 C CA . VAL D 201 ? 1.05753 0.918303 1.21359 0.0235703 0.0484548 0.0810056 197 VAL D CA +5715 C C . VAL D 201 ? 1.04729 0.933923 1.2372 0.028625 0.048899 0.101229 197 VAL D C +5716 O O . VAL D 201 ? 0.975897 0.884673 1.2061 0.0361739 0.0623955 0.128828 197 VAL D O +5717 C CB . VAL D 201 ? 1.13203 1.01202 1.2952 0.0126283 0.0302105 0.088891 197 VAL D CB +5718 C CG1 . VAL D 201 ? 1.27047 1.17435 1.43684 -0.00037683 0.00231584 0.0928061 197 VAL D CG1 +5719 C CG2 . VAL D 201 ? 1.23272 1.08685 1.36012 0.00824341 0.027977 0.0682683 197 VAL D CG2 +5720 N N . ASN D 202 ? 1.06575 0.951915 1.24111 0.0250177 0.0346422 0.0900579 198 ASN D N +5721 C CA . ASN D 202 ? 1.26139 1.17563 1.46667 0.0278605 0.0309654 0.109866 198 ASN D CA +5722 C C . ASN D 202 ? 1.20719 1.13836 1.3987 0.0129829 -0.00072346 0.104534 198 ASN D C +5723 O O . ASN D 202 ? 1.14721 1.05645 1.30279 0.00834341 -0.0108645 0.0800617 198 ASN D O +5724 C CB . ASN D 202 ? 1.45563 1.34942 1.65996 0.0404059 0.0528501 0.105277 198 ASN D CB +5725 C CG . ASN D 202 ? 1.71467 1.63985 1.96026 0.0478902 0.0568711 0.133717 198 ASN D CG +5726 O OD1 . ASN D 202 ? 1.77012 1.6847 2.01338 0.0543837 0.065399 0.129711 198 ASN D OD1 +5727 N ND2 . ASN D 202 ? 1.91764 1.88417 2.20239 0.046116 0.0504346 0.164726 198 ASN D ND2 +5728 N N . HIS D 203 ? 1.11962 1.0902 1.33924 0.00463349 -0.014934 0.129415 199 HIS D N +5729 C CA . HIS D 203 ? 1.04903 1.03396 1.25277 -0.0118145 -0.042073 0.126311 199 HIS D CA +5730 C C . HIS D 203 ? 1.09498 1.11336 1.32899 -0.00896299 -0.0437698 0.150595 199 HIS D C +5731 O O . HIS D 203 ? 1.10828 1.16817 1.37754 -0.0149985 -0.0495862 0.181756 199 HIS D O +5732 C CB . HIS D 203 ? 0.961278 0.962399 1.16073 -0.032803 -0.0621168 0.132626 199 HIS D CB +5733 C CG . HIS D 203 ? 1.02779 1.02614 1.19397 -0.0523478 -0.0860217 0.120511 199 HIS D CG +5734 N ND1 . HIS D 203 ? 1.18335 1.21173 1.35298 -0.0758618 -0.106775 0.137067 199 HIS D ND1 +5735 C CD2 . HIS D 203 ? 1.08075 1.04751 1.20654 -0.0533013 -0.090873 0.0938191 199 HIS D CD2 +5736 C CE1 . HIS D 203 ? 1.16276 1.17169 1.29029 -0.090608 -0.121307 0.117991 199 HIS D CE1 +5737 N NE2 . HIS D 203 ? 1.03561 1.00738 1.13854 -0.0751648 -0.110784 0.0925735 199 HIS D NE2 +5738 N N . LYS D 204 ? 1.20906 1.21287 1.4318 -0.00013719 -0.038779 0.139248 200 LYS D N +5739 C CA . LYS D 204 ? 1.19913 1.23287 1.453 0.0058106 -0.0363507 0.16371 200 LYS D CA +5740 C C . LYS D 204 ? 1.21059 1.28296 1.46589 -0.0150362 -0.0648896 0.179861 200 LYS D C +5741 O O . LYS D 204 ? 1.25783 1.37389 1.55424 -0.0144725 -0.0653041 0.214878 200 LYS D O +5742 C CB . LYS D 204 ? 1.35768 1.36606 1.59848 0.0185618 -0.0243004 0.147992 200 LYS D CB +5743 C CG . LYS D 204 ? 1.70486 1.67866 1.9474 0.0358016 0.00700568 0.138294 200 LYS D CG +5744 C CD . LYS D 204 ? 1.91476 1.86456 2.147 0.0456046 0.0206896 0.125872 200 LYS D CD +5745 C CE . LYS D 204 ? 1.8532 1.75724 2.06105 0.0514822 0.04302 0.102321 200 LYS D CE +5746 N NZ . LYS D 204 ? 1.84866 1.73145 2.03531 0.0523432 0.0452437 0.0848411 200 LYS D NZ +5747 N N . PRO D 205 ? 1.16787 1.2266 1.37965 -0.0347456 -0.0874493 0.158394 201 PRO D N +5748 C CA . PRO D 205 ? 1.05603 1.14663 1.2609 -0.0594363 -0.113285 0.172479 201 PRO D CA +5749 C C . PRO D 205 ? 0.991936 1.13045 1.23091 -0.0750389 -0.123997 0.206723 201 PRO D C +5750 O O . PRO D 205 ? 0.92428 1.10211 1.16931 -0.0947918 -0.143641 0.228644 201 PRO D O +5751 C CB . PRO D 205 ? 0.999381 1.05131 1.14663 -0.0758964 -0.126479 0.13923 201 PRO D CB +5752 C CG . PRO D 205 ? 1.01667 1.02454 1.14565 -0.0548732 -0.109045 0.110946 201 PRO D CG +5753 C CD . PRO D 205 ? 1.08577 1.09738 1.25145 -0.0354984 -0.0876424 0.121756 201 PRO D CD +5754 N N . SER D 206 ? 0.933527 1.07164 1.19542 -0.0672425 -0.111206 0.213593 202 SER D N +5755 C CA . SER D 206 ? 0.927381 1.11359 1.2283 -0.0796067 -0.118672 0.249385 202 SER D CA +5756 C C . SER D 206 ? 1.0032 1.20843 1.36177 -0.0525724 -0.0904645 0.278076 202 SER D C +5757 O O . SER D 206 ? 1.13623 1.37995 1.53293 -0.058106 -0.0914829 0.309567 202 SER D O +5758 C CB . SER D 206 ? 0.981705 1.14972 1.25503 -0.0992086 -0.129586 0.233434 202 SER D CB +5759 O OG . SER D 206 ? 0.859143 0.983137 1.12154 -0.0800743 -0.108682 0.209362 202 SER D OG +5760 N N . ASN D 207 ? 1.08788 1.26451 1.45168 -0.0247186 -0.0637097 0.268083 203 ASN D N +5761 C CA . ASN D 207 ? 1.2159 1.39261 1.62343 0.00254388 -0.028993 0.288346 203 ASN D CA +5762 C C . ASN D 207 ? 1.3058 1.47675 1.7227 0.00317331 -0.0192425 0.291114 203 ASN D C +5763 O O . ASN D 207 ? 1.40077 1.6097 1.8689 0.00965161 -0.00785236 0.329848 203 ASN D O +5764 C CB . ASN D 207 ? 1.07609 1.3057 1.54349 0.0132329 -0.0199594 0.336852 203 ASN D CB +5765 C CG . ASN D 207 ? 1.07655 1.29278 1.53861 0.0263083 -0.0110788 0.330456 203 ASN D CG +5766 O OD1 . ASN D 207 ? 0.994252 1.15948 1.41171 0.0301776 -0.00696781 0.290432 203 ASN D OD1 +5767 N ND2 . ASN D 207 ? 1.1862 1.45092 1.69588 0.0329625 -0.0080219 0.372374 203 ASN D ND2 +5768 N N . THR D 208 ? 1.10998 1.23315 1.47903 -0.00127786 -0.0212351 0.25155 204 THR D N +5769 C CA . THR D 208 ? 1.19135 1.30038 1.56003 -0.00029708 -0.0114524 0.247658 204 THR D CA +5770 C C . THR D 208 ? 1.17767 1.23453 1.52761 0.0212765 0.0200307 0.223627 204 THR D C +5771 O O . THR D 208 ? 1.17125 1.1901 1.47894 0.021717 0.0181978 0.19027 204 THR D O +5772 C CB . THR D 208 ? 1.3572 1.45303 1.68359 -0.0247827 -0.0386908 0.223258 204 THR D CB +5773 O OG1 . THR D 208 ? 1.3668 1.50149 1.69613 -0.049609 -0.0684263 0.238916 204 THR D OG1 +5774 C CG2 . THR D 208 ? 1.41999 1.50951 1.75165 -0.0260544 -0.0311764 0.22509 204 THR D CG2 +5775 N N . LYS D 209 ? 1.17432 1.22956 1.5542 0.0374602 0.0494943 0.241731 205 LYS D N +5776 C CA . LYS D 209 ? 1.26219 1.26444 1.61727 0.0531762 0.0805066 0.218413 205 LYS D CA +5777 C C . LYS D 209 ? 1.151 1.1493 1.51403 0.0548611 0.0929726 0.225109 205 LYS D C +5778 O O . LYS D 209 ? 1.23932 1.26444 1.64997 0.0653334 0.111222 0.260278 205 LYS D O +5779 C CB . LYS D 209 ? 1.56724 1.55728 1.94481 0.0750102 0.115201 0.231641 205 LYS D CB +5780 C CG . LYS D 209 ? 1.70386 1.63433 2.03423 0.0807406 0.133789 0.194983 205 LYS D CG +5781 C CD . LYS D 209 ? 1.68647 1.58546 2.0294 0.101578 0.180078 0.203467 205 LYS D CD +5782 C CE . LYS D 209 ? 1.52944 1.41099 1.88705 0.114461 0.216224 0.217071 205 LYS D CE +5783 N NZ . LYS D 209 ? 1.42968 1.26363 1.78287 0.13186 0.264866 0.216281 205 LYS D NZ +5784 N N . VAL D 210 ? 1.12598 1.09441 1.44534 0.0449306 0.0829633 0.19454 206 VAL D N +5785 C CA . VAL D 210 ? 1.09734 1.0595 1.41912 0.0454508 0.093393 0.198159 206 VAL D CA +5786 C C . VAL D 210 ? 1.19835 1.10555 1.4785 0.0540224 0.118323 0.169478 206 VAL D C +5787 O O . VAL D 210 ? 1.13744 1.01538 1.37393 0.0487387 0.110127 0.138776 206 VAL D O +5788 C CB . VAL D 210 ? 1.20204 1.17904 1.5089 0.0237619 0.0598305 0.190692 206 VAL D CB +5789 C CG1 . VAL D 210 ? 1.17674 1.15159 1.49048 0.0236203 0.06946 0.197699 206 VAL D CG1 +5790 C CG2 . VAL D 210 ? 1.32284 1.34897 1.65698 0.00777657 0.0315722 0.213641 206 VAL D CG2 +5791 N N . ASP D 211 ? 1.21912 1.1142 1.5126 0.0657775 0.149011 0.181627 207 ASP D N +5792 C CA . ASP D 211 ? 1.10499 0.949449 1.35569 0.0695691 0.172705 0.15693 207 ASP D CA +5793 C C . ASP D 211 ? 1.01528 0.866633 1.26571 0.0636606 0.166915 0.160403 207 ASP D C +5794 O O . ASP D 211 ? 0.973857 0.84654 1.26497 0.0717045 0.182078 0.189613 207 ASP D O +5795 C CB . ASP D 211 ? 1.19942 1.01473 1.45943 0.0883642 0.21946 0.16671 207 ASP D CB +5796 C CG . ASP D 211 ? 1.36428 1.15684 1.61202 0.093493 0.231743 0.156383 207 ASP D CG +5797 O OD1 . ASP D 211 ? 1.48415 1.27289 1.70069 0.0808502 0.204366 0.131968 207 ASP D OD1 +5798 O OD2 . ASP D 211 ? 1.40837 1.18653 1.67941 0.110858 0.270543 0.174448 207 ASP D OD2 +5799 N N . LYS D 212 ? 1.06914 0.906183 1.27803 0.0500605 0.144857 0.13408 208 LYS D N +5800 C CA . LYS D 212 ? 1.20645 1.04449 1.41069 0.0449039 0.141737 0.135426 208 LYS D CA +5801 C C . LYS D 212 ? 1.27308 1.06666 1.43444 0.04834 0.16594 0.115726 208 LYS D C +5802 O O . LYS D 212 ? 1.19636 0.963716 1.31209 0.0415208 0.159575 0.0887674 208 LYS D O +5803 C CB . LYS D 212 ? 1.1735 1.02568 1.36339 0.027865 0.104556 0.124471 208 LYS D CB +5804 C CG . LYS D 212 ? 1.2106 1.07868 1.41585 0.0212851 0.0981405 0.1376 208 LYS D CG +5805 C CD . LYS D 212 ? 1.26694 1.17919 1.52784 0.019741 0.0951516 0.172806 208 LYS D CD +5806 C CE . LYS D 212 ? 1.31738 1.23972 1.60054 0.0210332 0.106813 0.191661 208 LYS D CE +5807 N NZ . LYS D 212 ? 1.32685 1.29694 1.66928 0.0211358 0.107239 0.230853 208 LYS D NZ +5808 N N . ARG D 213 ? 1.21965 1.00819 1.39664 0.057401 0.192876 0.131726 209 ARG D N +5809 C CA . ARG D 213 ? 1.28644 1.03418 1.42333 0.059217 0.218341 0.117047 209 ARG D CA +5810 C C . ARG D 213 ? 1.24413 0.999342 1.3656 0.0484864 0.197237 0.11075 209 ARG D C +5811 O O . ARG D 213 ? 1.26196 1.04577 1.41902 0.0486239 0.190064 0.131382 209 ARG D O +5812 C CB . ARG D 213 ? 1.48273 1.22017 1.64633 0.0761886 0.261421 0.140126 209 ARG D CB +5813 C CG . ARG D 213 ? 1.64712 1.33938 1.76778 0.077654 0.292718 0.127257 209 ARG D CG +5814 C CD . ARG D 213 ? 1.72999 1.42626 1.88807 0.0935577 0.326944 0.156949 209 ARG D CD +5815 N NE . ARG D 213 ? 2.01856 1.67008 2.12796 0.0921198 0.354062 0.142008 209 ARG D NE +5816 C CZ . ARG D 213 ? 2.04629 1.68342 2.16658 0.104647 0.391178 0.159254 209 ARG D CZ +5817 N NH1 . ARG D 213 ? 1.96991 1.63788 2.15644 0.122094 0.408515 0.197254 209 ARG D NH1 +5818 N NH2 . ARG D 213 ? 2.07803 1.67083 2.14149 0.098802 0.41151 0.139891 209 ARG D NH2 +5819 N N . VAL D 214 ? 1.37264 1.10321 1.44197 0.0385459 0.18837 0.0844432 210 VAL D N +5820 C CA . VAL D 214 ? 1.25702 0.993737 1.31021 0.0293802 0.168568 0.078839 210 VAL D CA +5821 C C . VAL D 214 ? 1.34472 1.05646 1.37286 0.0315087 0.194192 0.077594 210 VAL D C +5822 O O . VAL D 214 ? 1.19439 0.872802 1.17565 0.0275465 0.209891 0.0600633 210 VAL D O +5823 C CB . VAL D 214 ? 1.16359 0.896757 1.18117 0.0180621 0.141615 0.0571513 210 VAL D CB +5824 C CG1 . VAL D 214 ? 1.2211 0.963924 1.232 0.011508 0.12292 0.0573269 210 VAL D CG1 +5825 C CG2 . VAL D 214 ? 1.12609 0.876689 1.1611 0.0165486 0.121235 0.0558177 210 VAL D CG2 +5826 N N . GLU D 215 ? 1.44396 1.17278 1.50221 0.035352 0.1974 0.0968854 211 GLU D N +5827 C CA . GLU D 215 ? 1.68097 1.38997 1.72179 0.0386767 0.222284 0.0998394 211 GLU D CA +5828 C C . GLU D 215 ? 1.49371 1.20774 1.51265 0.0286037 0.200614 0.0927251 211 GLU D C +5829 O O . GLU D 215 ? 1.56525 1.30511 1.60809 0.0238358 0.174464 0.09918 211 GLU D O +5830 C CB . GLU D 215 ? 1.80131 1.52464 1.89153 0.0516962 0.246092 0.129152 211 GLU D CB +5831 C CG . GLU D 215 ? 2.00451 1.71311 2.11122 0.0661254 0.281413 0.139503 211 GLU D CG +5832 C CD . GLU D 215 ? 2.17272 1.89154 2.32504 0.0817651 0.31311 0.171539 211 GLU D CD +5833 O OE1 . GLU D 215 ? 2.23789 1.99249 2.44874 0.0898104 0.312188 0.199248 211 GLU D OE1 +5834 O OE2 . GLU D 215 ? 2.22249 1.91588 2.35368 0.0860283 0.339838 0.171628 211 GLU D OE2 +5835 N N . PRO D 216 ? 1.54134 1.22969 1.51283 0.0240713 0.212311 0.0805285 212 PRO D N +5836 C CA . PRO D 216 ? 1.51781 1.21314 1.47269 0.0169307 0.195747 0.0791603 212 PRO D CA +5837 C C . PRO D 216 ? 1.40904 1.11934 1.40016 0.0228165 0.202346 0.1005 212 PRO D C +5838 O O . PRO D 216 ? 1.44324 1.14018 1.4343 0.0298064 0.231307 0.10938 212 PRO D O +5839 C CB . PRO D 216 ? 1.55546 1.22132 1.44899 0.00896668 0.209523 0.0634839 212 PRO D CB +5840 C CG . PRO D 216 ? 1.70914 1.34744 1.58129 0.00883825 0.230942 0.0513874 212 PRO D CG +5841 C CD . PRO D 216 ? 1.78307 1.43267 1.71083 0.0235405 0.242973 0.0679359 212 PRO D CD +5842 N N . LYS D 217 ? 1.38341 1.11884 1.40365 0.0189153 0.177188 0.108714 213 LYS D N +5843 C CA . LYS D 217 ? 1.59229 1.34129 1.64134 0.0200436 0.17985 0.127519 213 LYS D CA +5844 C C . LYS D 217 ? 1.55706 1.29432 1.5728 0.017026 0.180801 0.123378 213 LYS D C +5845 O O . LYS D 217 ? 1.4963 1.22835 1.48015 0.0111613 0.165318 0.109971 213 LYS D O +5846 C CB . LYS D 217 ? 1.75761 1.53396 1.84796 0.0133232 0.155432 0.137797 213 LYS D CB +5847 C CG . LYS D 217 ? 1.92198 1.70081 2.00329 0.00279428 0.129522 0.131259 213 LYS D CG +5848 C CD . LYS D 217 ? 1.85844 1.65891 1.97928 -0.00751048 0.114085 0.145731 213 LYS D CD +5849 C CE . LYS D 217 ? 1.82597 1.62297 1.94584 -0.0161255 0.10557 0.14964 213 LYS D CE +5850 N NZ . LYS D 217 ? 1.86031 1.67867 2.02097 -0.0264113 0.102028 0.170099 213 LYS D NZ +5851 N N . SER D 218 ? 1.55133 1.2875 1.57745 0.0216829 0.199701 0.138101 214 SER D N +5852 C CA . SER D 218 ? 1.62132 1.35036 1.62239 0.0195027 0.201773 0.139203 214 SER D CA +5853 C C . SER D 218 ? 1.46413 1.21051 1.50526 0.0193053 0.198498 0.159266 214 SER D C +5854 O O . SER D 218 ? 1.40037 1.16115 1.46475 0.0122785 0.175571 0.161128 214 SER D O +5855 C CB . SER D 218 ? 1.65362 1.35809 1.61564 0.022995 0.23107 0.135582 214 SER D CB +5856 O OG . SER D 218 ? 1.48585 1.18928 1.43735 0.0227786 0.237292 0.14479 214 SER D OG +5857 N N . ASP E 1 ? 1.74786 1.5848 1.33828 0.182092 0.302117 0.0450543 1 ASP E N +5858 C CA . ASP E 1 ? 1.65459 1.46808 1.25046 0.18997 0.321921 0.0363522 1 ASP E CA +5859 C C . ASP E 1 ? 1.54576 1.37777 1.20324 0.204364 0.329907 0.0539271 1 ASP E C +5860 O O . ASP E 1 ? 1.7322 1.54749 1.39955 0.21494 0.354372 0.0531436 1 ASP E O +5861 C CB . ASP E 1 ? 1.57628 1.35447 1.12399 0.191582 0.351903 0.0241889 1 ASP E CB +5862 C CG . ASP E 1 ? 1.53744 1.2887 1.09052 0.200349 0.374758 0.0153327 1 ASP E CG +5863 O OD1 . ASP E 1 ? 1.43671 1.17883 0.987433 0.193946 0.361065 0.00346223 1 ASP E OD1 +5864 O OD2 . ASP E 1 ? 1.50854 1.25099 1.074 0.214228 0.405511 0.0225897 1 ASP E OD2 +5865 N N . ILE E 2 ? 1.34838 1.21337 1.04787 0.204373 0.309965 0.0702933 2 ILE E N +5866 C CA . ILE E 2 ? 1.44201 1.32318 1.19771 0.213748 0.311265 0.0853476 2 ILE E CA +5867 C C . ILE E 2 ? 1.42504 1.30374 1.18953 0.207259 0.291743 0.07604 2 ILE E C +5868 O O . ILE E 2 ? 1.40929 1.29806 1.16758 0.196331 0.265995 0.0717656 2 ILE E O +5869 C CB . ILE E 2 ? 1.4162 1.33124 1.21407 0.215896 0.300405 0.10807 2 ILE E CB +5870 C CG1 . ILE E 2 ? 1.48634 1.40642 1.27605 0.221177 0.317246 0.118286 2 ILE E CG1 +5871 C CG2 . ILE E 2 ? 1.27258 1.20272 1.12622 0.223603 0.301445 0.124394 2 ILE E CG2 +5872 C CD1 . ILE E 2 ? 1.43533 1.38763 1.26879 0.223264 0.30796 0.141623 2 ILE E CD1 +5873 N N . VAL E 3 ? 1.37236 1.23778 1.15311 0.214439 0.305003 0.0740027 3 VAL E N +5874 C CA . VAL E 3 ? 1.38533 1.24532 1.17144 0.208535 0.289199 0.0645142 3 VAL E CA +5875 C C . VAL E 3 ? 1.35968 1.24371 1.20122 0.21203 0.278355 0.0826127 3 VAL E C +5876 O O . VAL E 3 ? 1.39504 1.2869 1.27169 0.22303 0.294134 0.0989593 3 VAL E O +5877 C CB . VAL E 3 ? 1.51186 1.33783 1.27485 0.212364 0.310022 0.0488529 3 VAL E CB +5878 C CG1 . VAL E 3 ? 1.50777 1.32742 1.27677 0.206327 0.29449 0.0393938 3 VAL E CG1 +5879 C CG2 . VAL E 3 ? 1.59846 1.39754 1.30219 0.207139 0.322072 0.0312599 3 VAL E CG2 +5880 N N . MET E 4 ? 1.30117 1.19602 1.15008 0.201917 0.251595 0.0801049 4 MET E N +5881 C CA . MET E 4 ? 1.30206 1.21677 1.19637 0.20167 0.238333 0.0953428 4 MET E CA +5882 C C . MET E 4 ? 1.45357 1.35517 1.35154 0.199472 0.233793 0.0862244 4 MET E C +5883 O O . MET E 4 ? 1.55583 1.44488 1.42486 0.190868 0.222601 0.0687804 4 MET E O +5884 C CB . MET E 4 ? 1.17964 1.11517 1.07955 0.191146 0.212243 0.100275 4 MET E CB +5885 C CG . MET E 4 ? 1.15099 1.097 1.03965 0.190968 0.213439 0.105833 4 MET E CG +5886 S SD . MET E 4 ? 1.05014 1.00868 0.969727 0.203874 0.235844 0.127916 4 MET E SD +5887 C CE . MET E 4 ? 1.12957 1.11267 1.10336 0.201051 0.219344 0.149264 4 MET E CE +5888 N N . THR E 5 ? 1.43132 1.33691 1.36687 0.207021 0.242198 0.0995625 5 THR E N +5889 C CA . THR E 5 ? 1.37241 1.26582 1.31485 0.206028 0.23983 0.0933657 5 THR E CA +5890 C C . THR E 5 ? 1.31901 1.23467 1.30464 0.202557 0.22298 0.1117 5 THR E C +5891 O O . THR E 5 ? 1.42139 1.35241 1.44477 0.209555 0.23039 0.132879 5 THR E O +5892 C CB . THR E 5 ? 1.42892 1.30107 1.37406 0.218772 0.269029 0.0919285 5 THR E CB +5893 O OG1 . THR E 5 ? 1.4476 1.29807 1.34932 0.220688 0.285769 0.0760476 5 THR E OG1 +5894 C CG2 . THR E 5 ? 1.37122 1.22724 1.31871 0.217376 0.267369 0.0833744 5 THR E CG2 +5895 N N . GLN E 6 ? 1.23337 1.14974 1.21356 0.191325 0.201142 0.104266 6 GLN E N +5896 C CA . GLN E 6 ? 1.258 1.19257 1.27274 0.185422 0.184029 0.120359 6 GLN E CA +5897 C C . GLN E 6 ? 1.18942 1.11429 1.22074 0.188214 0.188215 0.12168 6 GLN E C +5898 O O . GLN E 6 ? 1.37604 1.27846 1.38492 0.191112 0.198438 0.105079 6 GLN E O +5899 C CB . GLN E 6 ? 1.35262 1.29375 1.35338 0.170975 0.158438 0.113544 6 GLN E CB +5900 C CG . GLN E 6 ? 1.30535 1.26101 1.30164 0.167242 0.151075 0.118757 6 GLN E CG +5901 C CD . GLN E 6 ? 1.23068 1.18693 1.20784 0.154665 0.130452 0.108422 6 GLN E CD +5902 O OE1 . GLN E 6 ? 1.07889 1.0327 1.031 0.152607 0.128429 0.0983172 6 GLN E OE1 +5903 N NE2 . GLN E 6 ? 1.32865 1.28843 1.319 0.146013 0.11551 0.112525 6 GLN E NE2 +5904 N N . SER E 7 ? 1.26001 1.20149 1.32974 0.186048 0.179193 0.141954 7 SER E N +5905 C CA . SER E 7 ? 1.27628 1.21136 1.36368 0.186364 0.178551 0.145349 7 SER E CA +5906 C C . SER E 7 ? 1.17702 1.13267 1.29335 0.175437 0.156374 0.164151 7 SER E C +5907 O O . SER E 7 ? 1.28727 1.26358 1.42636 0.173206 0.150341 0.182966 7 SER E O +5908 C CB . SER E 7 ? 1.31391 1.24156 1.42467 0.201975 0.204666 0.154672 7 SER E CB +5909 O OG . SER E 7 ? 1.46471 1.41506 1.61628 0.207816 0.209652 0.181401 7 SER E OG +5910 N N . PRO E 8 ? 1.07105 1.02132 1.18527 0.166588 0.142515 0.159937 8 PRO E N +5911 C CA . PRO E 8 ? 1.1483 1.07486 1.23452 0.166783 0.146461 0.137386 8 PRO E CA +5912 C C . PRO E 8 ? 1.122 1.0383 1.16543 0.158964 0.13767 0.113673 8 PRO E C +5913 O O . PRO E 8 ? 1.15544 1.08276 1.19059 0.153096 0.127642 0.1144 8 PRO E O +5914 C CB . PRO E 8 ? 1.22474 1.15574 1.33055 0.158248 0.131498 0.147396 8 PRO E CB +5915 C CG . PRO E 8 ? 1.18431 1.13632 1.30112 0.145655 0.110599 0.162026 8 PRO E CG +5916 C CD . PRO E 8 ? 1.08578 1.05256 1.22334 0.154356 0.121492 0.177634 8 PRO E CD +5917 N N . ASP E 9 ? 1.25658 1.15207 1.27494 0.158539 0.141224 0.093983 9 ASP E N +5918 C CA . ASP E 9 ? 1.29347 1.18067 1.27575 0.149789 0.130694 0.0736157 9 ASP E CA +5919 C C . ASP E 9 ? 1.27729 1.17352 1.26228 0.136401 0.108423 0.0759014 9 ASP E C +5920 O O . ASP E 9 ? 1.43711 1.33584 1.40276 0.128947 0.0977039 0.0672828 9 ASP E O +5921 C CB . ASP E 9 ? 1.35028 1.21312 1.3059 0.151558 0.139844 0.0533261 9 ASP E CB +5922 C CG . ASP E 9 ? 1.4062 1.25373 1.34324 0.161294 0.161185 0.0444859 9 ASP E CG +5923 O OD1 . ASP E 9 ? 1.38976 1.24605 1.33795 0.169114 0.172018 0.0553489 9 ASP E OD1 +5924 O OD2 . ASP E 9 ? 1.41807 1.24382 1.3283 0.160219 0.167233 0.0268555 9 ASP E OD2 +5925 N N . SER E 10 ? 1.33185 1.23169 1.33996 0.133193 0.102385 0.0877121 10 SER E N +5926 C CA . SER E 10 ? 1.33369 1.23864 1.34179 0.11955 0.0828483 0.0899618 10 SER E CA +5927 C C . SER E 10 ? 1.22651 1.14542 1.26806 0.116453 0.0763494 0.113733 10 SER E C +5928 O O . SER E 10 ? 1.23504 1.15505 1.30082 0.125327 0.0871905 0.125345 10 SER E O +5929 C CB . SER E 10 ? 1.26231 1.15114 1.25237 0.11465 0.0792128 0.0737704 10 SER E CB +5930 O OG . SER E 10 ? 1.26078 1.15278 1.24499 0.101208 0.0620033 0.0734811 10 SER E OG +5931 N N . LEU E 11 ? 1.14778 1.07603 1.19001 0.103009 0.0587106 0.121272 11 LEU E N +5932 C CA . LEU E 11 ? 1.02791 0.971522 1.0986 0.0966399 0.0491833 0.145506 11 LEU E CA +5933 C C . LEU E 11 ? 0.989629 0.931781 1.04779 0.0785088 0.029552 0.145515 11 LEU E C +5934 O O . LEU E 11 ? 1.03522 0.974344 1.071 0.0703953 0.0222012 0.135737 11 LEU E O +5935 C CB . LEU E 11 ? 1.01058 0.969412 1.09389 0.10012 0.0518972 0.157821 11 LEU E CB +5936 C CG . LEU E 11 ? 1.04685 1.02466 1.16018 0.0921205 0.0406894 0.184967 11 LEU E CG +5937 C CD1 . LEU E 11 ? 1.21565 1.20054 1.36467 0.0985381 0.0462171 0.204153 11 LEU E CD1 +5938 C CD2 . LEU E 11 ? 0.979278 0.970726 1.10243 0.0957782 0.044306 0.19466 11 LEU E CD2 +5939 N N . ALA E 12 ? 1.05342 0.996586 1.12529 0.0715274 0.0214995 0.15706 12 ALA E N +5940 C CA . ALA E 12 ? 1.08161 1.02137 1.13879 0.0530835 0.00377416 0.157747 12 ALA E CA +5941 C C . ALA E 12 ? 1.15081 1.10624 1.23326 0.0428397 -0.00881474 0.185035 12 ALA E C +5942 O O . ALA E 12 ? 1.1711 1.13455 1.2827 0.0472655 -0.00695776 0.201949 12 ALA E O +5943 C CB . ALA E 12 ? 1.09566 1.02058 1.13932 0.0498993 0.00256286 0.145635 12 ALA E CB +5944 N N . VAL E 13 ? 1.29582 1.2549 1.36707 0.0281851 -0.0219809 0.189984 13 VAL E N +5945 C CA . VAL E 13 ? 1.22586 1.19974 1.31768 0.0149967 -0.0366762 0.216418 13 VAL E CA +5946 C C . VAL E 13 ? 1.07568 1.03903 1.13865 -0.00828199 -0.0544535 0.213897 13 VAL E C +5947 O O . VAL E 13 ? 1.10436 1.05255 1.1348 -0.0124867 -0.0534481 0.193605 13 VAL E O +5948 C CB . VAL E 13 ? 1.38921 1.37865 1.49866 0.0202957 -0.0333244 0.228102 13 VAL E CB +5949 C CG1 . VAL E 13 ? 1.48241 1.48667 1.60791 0.00281826 -0.0513967 0.254336 13 VAL E CG1 +5950 C CG2 . VAL E 13 ? 1.35119 1.34974 1.48957 0.0429122 -0.0138673 0.232615 13 VAL E CG2 +5951 N N . SER E 14 ? 0.995762 0.966631 1.0708 -0.0236701 -0.0700907 0.235441 14 SER E N +5952 C CA . SER E 14 ? 1.08555 1.04441 1.13099 -0.0481549 -0.0872216 0.235064 14 SER E CA +5953 C C . SER E 14 ? 1.17598 1.13136 1.20186 -0.0611607 -0.0945468 0.233745 14 SER E C +5954 O O . SER E 14 ? 1.22113 1.19088 1.26703 -0.05416 -0.0914755 0.24318 14 SER E O +5955 C CB . SER E 14 ? 1.06172 1.03166 1.12693 -0.061868 -0.102975 0.261511 14 SER E CB +5956 O OG . SER E 14 ? 1.11768 1.08398 1.19072 -0.0547102 -0.0982116 0.259478 14 SER E OG +5957 N N . LEU E 15 ? 1.22438 1.15957 1.21145 -0.0806279 -0.103543 0.22303 15 LEU E N +5958 C CA . LEU E 15 ? 1.22565 1.15195 1.18938 -0.0960694 -0.110676 0.221054 15 LEU E CA +5959 C C . LEU E 15 ? 1.15577 1.10104 1.14324 -0.10828 -0.125753 0.249754 15 LEU E C +5960 O O . LEU E 15 ? 1.16951 1.12207 1.1668 -0.122094 -0.140278 0.269349 15 LEU E O +5961 C CB . LEU E 15 ? 1.233 1.1323 1.1514 -0.118052 -0.118141 0.208708 15 LEU E CB +5962 C CG . LEU E 15 ? 1.44159 1.31884 1.32997 -0.11028 -0.103255 0.179295 15 LEU E CG +5963 C CD1 . LEU E 15 ? 1.3984 1.24758 1.24378 -0.131107 -0.107854 0.168172 15 LEU E CD1 +5964 C CD2 . LEU E 15 ? 1.59996 1.47849 1.48896 -0.10109 -0.0946432 0.17176 15 LEU E CD2 +5965 N N . GLY E 16 ? 1.16044 1.1134 1.15609 -0.104678 -0.123206 0.252807 16 GLY E N +5966 C CA . GLY E 16 ? 1.21435 1.18448 1.23058 -0.118299 -0.138148 0.279663 16 GLY E CA +5967 C C . GLY E 16 ? 1.22165 1.2228 1.29122 -0.101342 -0.133859 0.30267 16 GLY E C +5968 O O . GLY E 16 ? 1.42814 1.44763 1.52208 -0.108799 -0.143656 0.32627 16 GLY E O +5969 N N . GLU E 17 ? 1.23805 1.24402 1.32594 -0.079146 -0.118629 0.296428 17 GLU E N +5970 C CA . GLU E 17 ? 1.12671 1.15838 1.26473 -0.0621851 -0.111401 0.317747 17 GLU E CA +5971 C C . GLU E 17 ? 1.09759 1.13557 1.24797 -0.0396053 -0.0917108 0.308986 17 GLU E C +5972 O O . GLU E 17 ? 1.09068 1.11352 1.21126 -0.0360413 -0.0840738 0.285612 17 GLU E O +5973 C CB . GLU E 17 ? 1.09128 1.12265 1.24226 -0.0539125 -0.107032 0.319107 17 GLU E CB +5974 C CG . GLU E 17 ? 1.29865 1.33178 1.44883 -0.0770533 -0.128773 0.337902 17 GLU E CG +5975 C CD . GLU E 17 ? 1.5412 1.59706 1.71971 -0.0947152 -0.148757 0.373352 17 GLU E CD +5976 O OE1 . GLU E 17 ? 1.44398 1.49544 1.60363 -0.122125 -0.170985 0.384143 17 GLU E OE1 +5977 O OE2 . GLU E 17 ? 1.92648 2.00532 2.14723 -0.0816049 -0.142047 0.391843 17 GLU E OE2 +5978 N N . ARG E 18 ? 1.03863 1.09925 1.2342 -0.024515 -0.0829893 0.329341 18 ARG E N +5979 C CA . ARG E 18 ? 1.06856 1.1381 1.27932 -0.00566978 -0.065619 0.327163 18 ARG E CA +5980 C C . ARG E 18 ? 1.00323 1.06172 1.2075 0.0183426 -0.0421235 0.304608 18 ARG E C +5981 O O . ARG E 18 ? 0.997297 1.0561 1.21806 0.0277182 -0.035009 0.307753 18 ARG E O +5982 C CB . ARG E 18 ? 1.2678 1.36625 1.53177 -0.00032267 -0.0649649 0.360982 18 ARG E CB +5983 C CG . ARG E 18 ? 1.36461 1.47501 1.64951 0.0184279 -0.0465727 0.364015 18 ARG E CG +5984 C CD . ARG E 18 ? 1.40657 1.5405 1.74718 0.0337905 -0.0348963 0.391778 18 ARG E CD +5985 N NE . ARG E 18 ? 1.65182 1.7755 1.99685 0.0539313 -0.0146646 0.379772 18 ARG E NE +5986 C CZ . ARG E 18 ? 1.48929 1.61427 1.85381 0.055556 -0.0155469 0.389865 18 ARG E CZ +5987 N NH1 . ARG E 18 ? 1.37879 1.48951 1.74006 0.0740566 0.0048823 0.373859 18 ARG E NH1 +5988 N NH2 . ARG E 18 ? 1.43858 1.57773 1.82371 0.0378401 -0.0370843 0.415494 18 ARG E NH2 +5989 N N . ALA E 19 ? 0.969248 1.01821 1.15051 0.0273557 -0.0306274 0.283627 19 ALA E N +5990 C CA . ALA E 19 ? 1.02587 1.06429 1.19759 0.0482905 -0.00918552 0.262462 19 ALA E CA +5991 C C . ALA E 19 ? 1.02414 1.07443 1.21465 0.0645448 0.00726218 0.268248 19 ALA E C +5992 O O . ALA E 19 ? 1.11438 1.17291 1.30546 0.0590516 0.00238691 0.274885 19 ALA E O +5993 C CB . ALA E 19 ? 0.987688 1.00376 1.11433 0.0455637 -0.00876092 0.231925 19 ALA E CB +5994 N N . THR E 20 ? 1.0135 1.06192 1.21607 0.0842935 0.0279366 0.26414 20 THR E N +5995 C CA . THR E 20 ? 0.974354 1.03255 1.1961 0.100928 0.0468576 0.271008 20 THR E CA +5996 C C . THR E 20 ? 1.01443 1.05422 1.21133 0.116919 0.0672538 0.24558 20 THR E C +5997 O O . THR E 20 ? 1.12437 1.15129 1.31642 0.122485 0.0740447 0.2358 20 THR E O +5998 C CB . THR E 20 ? 1.02936 1.10622 1.30099 0.107954 0.0528535 0.300393 20 THR E CB +5999 O OG1 . THR E 20 ? 1.07181 1.16741 1.36276 0.0910178 0.0321999 0.324134 20 THR E OG1 +6000 C CG2 . THR E 20 ? 1.04936 1.13207 1.34216 0.128831 0.0787129 0.306124 20 THR E CG2 +6001 N N . ILE E 21 ? 1.0387 1.07689 1.21886 0.12293 0.0760594 0.235567 21 ILE E N +6002 C CA . ILE E 21 ? 1.15218 1.1734 1.30495 0.135527 0.0935978 0.212384 21 ILE E CA +6003 C C . ILE E 21 ? 1.20202 1.23121 1.36984 0.150125 0.113714 0.221258 21 ILE E C +6004 O O . ILE E 21 ? 1.2555 1.29992 1.43476 0.147085 0.109564 0.234315 21 ILE E O +6005 C CB . ILE E 21 ? 1.16094 1.17022 1.27256 0.127499 0.0844078 0.189492 21 ILE E CB +6006 C CG1 . ILE E 21 ? 1.139 1.13997 1.23622 0.11277 0.0659764 0.181614 21 ILE E CG1 +6007 C CG2 . ILE E 21 ? 1.14552 1.13883 1.2292 0.138875 0.100863 0.167757 21 ILE E CG2 +6008 C CD1 . ILE E 21 ? 1.14061 1.13343 1.20572 0.103145 0.0554632 0.165197 21 ILE E CD1 +6009 N N . ASN E 22 ? 1.21332 1.23012 1.3786 0.165305 0.136205 0.213323 22 ASN E N +6010 C CA . ASN E 22 ? 1.16987 1.19026 1.34607 0.179965 0.159003 0.220241 22 ASN E CA +6011 C C . ASN E 22 ? 1.20295 1.20652 1.33572 0.183955 0.168751 0.195888 22 ASN E C +6012 O O . ASN E 22 ? 1.04682 1.0325 1.14709 0.180016 0.164477 0.173905 22 ASN E O +6013 C CB . ASN E 22 ? 1.19728 1.2146 1.40298 0.194251 0.180251 0.231363 22 ASN E CB +6014 C CG . ASN E 22 ? 1.40847 1.446 1.66061 0.189264 0.168469 0.259096 22 ASN E CG +6015 O OD1 . ASN E 22 ? 1.40436 1.46504 1.68465 0.184656 0.159991 0.28165 22 ASN E OD1 +6016 N ND2 . ASN E 22 ? 1.64598 1.67551 1.90603 0.188397 0.165838 0.258561 22 ASN E ND2 +6017 N N . CYS E 23 ? 1.35753 1.36848 1.49178 0.190843 0.180868 0.201976 23 CYS E N +6018 C CA . CYS E 23 ? 1.45357 1.45025 1.549 0.195399 0.192528 0.182884 23 CYS E CA +6019 C C . CYS E 23 ? 1.3939 1.39059 1.50036 0.210544 0.220172 0.191876 23 CYS E C +6020 O O . CYS E 23 ? 1.19731 1.21428 1.33397 0.21303 0.222179 0.213191 23 CYS E O +6021 C CB . CYS E 23 ? 1.39337 1.39823 1.46962 0.184749 0.175067 0.178449 23 CYS E CB +6022 S SG . CYS E 23 ? 1.36358 1.35574 1.39632 0.18959 0.188091 0.160513 23 CYS E SG +6023 N N . LYS E 24 ? 1.3855 1.35803 1.46593 0.219596 0.241436 0.175326 24 LYS E N +6024 C CA . LYS E 24 ? 1.43517 1.4011 1.51981 0.234363 0.271723 0.180598 24 LYS E CA +6025 C C . LYS E 24 ? 1.46967 1.42095 1.50585 0.233897 0.27971 0.16202 24 LYS E C +6026 O O . LYS E 24 ? 1.32247 1.25286 1.31733 0.228568 0.276428 0.138968 24 LYS E O +6027 C CB . LYS E 24 ? 1.59997 1.54692 1.69488 0.245071 0.29277 0.178524 24 LYS E CB +6028 C CG . LYS E 24 ? 1.76926 1.70558 1.86974 0.261669 0.328558 0.184143 24 LYS E CG +6029 C CD . LYS E 24 ? 1.70773 1.62201 1.81938 0.273685 0.353373 0.182439 24 LYS E CD +6030 C CE . LYS E 24 ? 1.68228 1.56248 1.74546 0.269388 0.355559 0.152735 24 LYS E CE +6031 N NZ . LYS E 24 ? 1.7211 1.57439 1.78855 0.282659 0.386584 0.149515 24 LYS E NZ +6032 N N . SER E 25 ? 1.55611 1.51957 1.59901 0.238878 0.28981 0.173964 25 SER E N +6033 C CA . SER E 25 ? 1.57226 1.52467 1.57295 0.238936 0.299056 0.161054 25 SER E CA +6034 C C . SER E 25 ? 1.56965 1.49942 1.55723 0.252539 0.334494 0.156621 25 SER E C +6035 O O . SER E 25 ? 1.65629 1.59219 1.68211 0.264496 0.353607 0.17437 25 SER E O +6036 C CB . SER E 25 ? 1.61207 1.58956 1.62775 0.236591 0.291142 0.177396 25 SER E CB +6037 O OG . SER E 25 ? 1.75355 1.72175 1.73163 0.237833 0.302634 0.168313 25 SER E OG +6038 N N . SER E 26 ? 1.51927 1.42271 1.4531 0.250246 0.3439 0.134168 26 SER E N +6039 C CA . SER E 26 ? 1.54057 1.41648 1.45325 0.261403 0.379007 0.126938 26 SER E CA +6040 C C . SER E 26 ? 1.46546 1.35071 1.38747 0.270899 0.40055 0.14223 26 SER E C +6041 O O . SER E 26 ? 1.41156 1.27689 1.32692 0.28264 0.4337 0.141576 26 SER E O +6042 C CB . SER E 26 ? 1.5818 1.42571 1.43098 0.253169 0.38048 0.0987118 26 SER E CB +6043 O OG . SER E 26 ? 1.57433 1.42422 1.38945 0.243793 0.368297 0.0933491 26 SER E OG +6044 N N . GLN E 27 ? 1.51429 1.42742 1.44885 0.265542 0.383063 0.155042 27 GLN E N +6045 C CA . GLN E 27 ? 1.61809 1.54406 1.56503 0.27331 0.400194 0.171629 27 GLN E CA +6046 C C . GLN E 27 ? 1.61703 1.58151 1.61579 0.270681 0.379472 0.196817 27 GLN E C +6047 O O . GLN E 27 ? 1.82648 1.80387 1.83262 0.259195 0.348923 0.195573 27 GLN E O +6048 C CB . GLN E 27 ? 1.72966 1.6454 1.62254 0.266277 0.400065 0.158069 27 GLN E CB +6049 C CG . GLN E 27 ? 1.86552 1.74187 1.69854 0.264491 0.416604 0.132018 27 GLN E CG +6050 C CD . GLN E 27 ? 2.17721 2.04557 1.95776 0.256325 0.415741 0.121946 27 GLN E CD +6051 O OE1 . GLN E 27 ? 2.10376 1.9947 1.89393 0.255118 0.409163 0.13572 27 GLN E OE1 +6052 N NE2 . GLN E 27 ? 2.40233 2.23751 2.12582 0.249781 0.422385 0.0983323 27 GLN E NE2 +6053 N N . SER E 28 A 1.48387 1.46519 1.51706 0.280612 0.39676 0.219579 27 SER E N +6054 C CA . SER E 28 A 1.44836 1.46539 1.53363 0.277727 0.378945 0.245748 27 SER E CA +6055 C C . SER E 28 A 1.39416 1.42516 1.46082 0.264486 0.353016 0.24364 27 SER E C +6056 O O . SER E 28 A 1.58728 1.61795 1.6322 0.265735 0.362497 0.243559 27 SER E O +6057 C CB . SER E 28 A 1.49084 1.52221 1.61897 0.291687 0.405037 0.271442 27 SER E CB +6058 O OG . SER E 28 A 1.4712 1.53754 1.6503 0.286854 0.38576 0.297908 27 SER E OG +6059 N N . VAL E 29 B 1.42631 1.46935 1.50291 0.251846 0.321153 0.243182 27 VAL E N +6060 C CA . VAL E 29 B 1.39062 1.44545 1.4532 0.239355 0.296555 0.241645 27 VAL E CA +6061 C C . VAL E 29 B 1.2815 1.36612 1.39051 0.237287 0.287859 0.269093 27 VAL E C +6062 O O . VAL E 29 B 1.1514 1.24762 1.26224 0.225224 0.263037 0.271426 27 VAL E O +6063 C CB . VAL E 29 B 1.32222 1.37073 1.36505 0.22602 0.268357 0.224752 27 VAL E CB +6064 C CG1 . VAL E 29 B 1.40885 1.43038 1.39914 0.224687 0.272642 0.197623 27 VAL E CG1 +6065 C CG2 . VAL E 29 B 1.30098 1.35562 1.37755 0.222977 0.256058 0.231562 27 VAL E CG2 +6066 N N . LEU E 30 C 1.22459 1.32012 1.36995 0.248871 0.309482 0.289776 27 LEU E N +6067 C CA . LEU E 30 C 1.26501 1.38918 1.45453 0.24756 0.304722 0.317793 27 LEU E CA +6068 C C . LEU E 30 C 1.31383 1.44029 1.48512 0.251338 0.31817 0.320416 27 LEU E C +6069 O O . LEU E 30 C 1.47426 1.59058 1.6365 0.264161 0.347953 0.319961 27 LEU E O +6070 C CB . LEU E 30 C 1.3135 1.44956 1.55489 0.258663 0.322071 0.340625 27 LEU E CB +6071 C CG . LEU E 30 C 1.29024 1.45697 1.58325 0.25997 0.323603 0.373566 27 LEU E CG +6072 C CD1 . LEU E 30 C 1.21579 1.4022 1.52413 0.242025 0.288961 0.383835 27 LEU E CD1 +6073 C CD2 . LEU E 30 C 1.28511 1.46287 1.63124 0.271274 0.340398 0.396028 27 LEU E CD2 +6074 N N . TYR E 31 D 1.28431 1.4224 1.44933 0.240148 0.29749 0.323227 27 TYR E N +6075 C CA . TYR E 31 D 1.22918 1.3713 1.3786 0.242597 0.307927 0.327587 27 TYR E CA +6076 C C . TYR E 31 D 1.23345 1.40111 1.43361 0.247778 0.317682 0.358484 27 TYR E C +6077 O O . TYR E 31 D 1.29323 1.48144 1.52985 0.238591 0.297217 0.375782 27 TYR E O +6078 C CB . TYR E 31 D 1.26701 1.40997 1.39063 0.22873 0.281799 0.318173 27 TYR E CB +6079 C CG . TYR E 31 D 1.26205 1.40435 1.35758 0.229677 0.289702 0.317217 27 TYR E CG +6080 C CD1 . TYR E 31 D 1.29825 1.42487 1.36105 0.239385 0.315809 0.308162 27 TYR E CD1 +6081 C CD2 . TYR E 31 D 1.18675 1.34248 1.28667 0.219881 0.270898 0.325401 27 TYR E CD2 +6082 C CE1 . TYR E 31 D 1.37343 1.49976 1.40879 0.238821 0.321724 0.308332 27 TYR E CE1 +6083 C CE2 . TYR E 31 D 1.23526 1.39165 1.31171 0.220446 0.277174 0.326415 27 TYR E CE2 +6084 C CZ . TYR E 31 D 1.33129 1.47383 1.3751 0.229696 0.302043 0.318257 27 TYR E CZ +6085 O OH . TYR E 31 D 1.4028 1.54701 1.42303 0.228863 0.306763 0.320896 27 TYR E OH +6086 N N . SER E 32 E 1.25449 1.42017 1.45689 0.261738 0.349325 0.365978 27 SER E N +6087 C CA . SER E 32 E 1.30824 1.49825 1.56629 0.269147 0.362619 0.397046 27 SER E CA +6088 C C . SER E 32 E 1.26108 1.47366 1.53489 0.26018 0.347594 0.414392 27 SER E C +6089 O O . SER E 32 E 1.38676 1.62474 1.7119 0.25758 0.340873 0.441086 27 SER E O +6090 C CB . SER E 32 E 1.32559 1.506 1.58294 0.28708 0.402808 0.400706 27 SER E CB +6091 O OG . SER E 32 E 1.39813 1.56258 1.60392 0.287986 0.414279 0.385501 27 SER E OG +6092 N N . SER E 33 F 1.25068 1.45366 1.4804 0.254443 0.341055 0.399617 27 SER E N +6093 C CA . SER E 33 F 1.25654 1.47632 1.49326 0.245172 0.325922 0.412208 27 SER E CA +6094 C C . SER E 33 F 1.23684 1.47569 1.51147 0.23078 0.295358 0.426957 27 SER E C +6095 O O . SER E 33 F 1.293 1.55385 1.60365 0.227536 0.292227 0.451347 27 SER E O +6096 C CB . SER E 33 F 1.24027 1.4437 1.42193 0.239551 0.318397 0.390601 27 SER E CB +6097 O OG . SER E 33 F 1.3213 1.53975 1.51033 0.231423 0.305366 0.403267 27 SER E OG +6098 N N . ASN E 34 ? 1.19029 1.41982 1.45504 0.220786 0.272493 0.412464 28 ASN E N +6099 C CA . ASN E 34 ? 1.14093 1.38335 1.43274 0.204913 0.243278 0.423514 28 ASN E CA +6100 C C . ASN E 34 ? 1.20861 1.4533 1.52713 0.202854 0.2358 0.427484 28 ASN E C +6101 O O . ASN E 34 ? 1.29006 1.54135 1.62472 0.187943 0.210496 0.433766 28 ASN E O +6102 C CB . ASN E 34 ? 1.18289 1.41262 1.43924 0.191464 0.219377 0.404947 28 ASN E CB +6103 C CG . ASN E 34 ? 1.2625 1.46788 1.47455 0.193622 0.21909 0.375336 28 ASN E CG +6104 O OD1 . ASN E 34 ? 1.34473 1.54093 1.55204 0.203418 0.234144 0.367342 28 ASN E OD1 +6105 N ND2 . ASN E 34 ? 1.22726 1.4215 1.40758 0.184625 0.202763 0.359414 28 ASN E ND2 +6106 N N . ASN E 35 ? 1.20771 1.44569 1.53004 0.217168 0.258225 0.424374 29 ASN E N +6107 C CA . ASN E 35 ? 1.19602 1.437 1.54723 0.217755 0.25506 0.430645 29 ASN E CA +6108 C C . ASN E 35 ? 1.09575 1.32111 1.42148 0.205753 0.230978 0.40969 29 ASN E C +6109 O O . ASN E 35 ? 1.0244 1.25311 1.3738 0.203763 0.224633 0.415905 29 ASN E O +6110 C CB . ASN E 35 ? 1.17264 1.44253 1.58389 0.211984 0.246025 0.464469 29 ASN E CB +6111 C CG . ASN E 35 ? 1.24405 1.52753 1.69555 0.229284 0.275858 0.486356 29 ASN E CG +6112 O OD1 . ASN E 35 ? 1.23308 1.52582 1.69292 0.237133 0.293769 0.498208 29 ASN E OD1 +6113 N ND2 . ASN E 35 ? 1.28147 1.56648 1.76001 0.235396 0.281987 0.493171 29 ASN E ND2 +6114 N N . LYS E 36 ? 1.07228 1.28096 1.3519 0.19907 0.219952 0.386258 30 LYS E N +6115 C CA . LYS E 36 ? 1.09669 1.28978 1.35067 0.188181 0.198866 0.365849 30 LYS E CA +6116 C C . LYS E 36 ? 1.08654 1.25724 1.30795 0.197907 0.212521 0.34185 30 LYS E C +6117 O O . LYS E 36 ? 1.12303 1.28283 1.31691 0.208033 0.231809 0.330878 30 LYS E O +6118 C CB . LYS E 36 ? 1.19607 1.38296 1.42026 0.176718 0.18148 0.354455 30 LYS E CB +6119 C CG . LYS E 36 ? 1.29989 1.50101 1.54665 0.161681 0.160905 0.371631 30 LYS E CG +6120 C CD . LYS E 36 ? 1.39519 1.58511 1.60913 0.152516 0.147316 0.357244 30 LYS E CD +6121 C CE . LYS E 36 ? 1.42176 1.61975 1.65041 0.137206 0.12866 0.370705 30 LYS E CE +6122 N NZ . LYS E 36 ? 1.47087 1.66941 1.71639 0.122721 0.109144 0.376459 30 LYS E NZ +6123 N N . ASN E 37 ? 1.07846 1.24108 1.30054 0.193315 0.201605 0.333513 31 ASN E N +6124 C CA . ASN E 37 ? 1.17835 1.31842 1.36868 0.200016 0.211173 0.309849 31 ASN E CA +6125 C C . ASN E 37 ? 1.12781 1.25226 1.27588 0.189975 0.19369 0.285956 31 ASN E C +6126 O O . ASN E 37 ? 1.04695 1.17332 1.19873 0.176941 0.170991 0.285417 31 ASN E O +6127 C CB . ASN E 37 ? 1.19286 1.33146 1.40572 0.200997 0.209624 0.313045 31 ASN E CB +6128 C CG . ASN E 37 ? 1.19667 1.35308 1.45849 0.21037 0.225015 0.339864 31 ASN E CG +6129 O OD1 . ASN E 37 ? 1.20021 1.3492 1.46474 0.225708 0.251758 0.339314 31 ASN E OD1 +6130 N ND2 . ASN E 37 ? 1.2459 1.42454 1.54674 0.200569 0.208355 0.363623 31 ASN E ND2 +6131 N N . TYR E 38 ? 1.13468 1.24301 1.24264 0.195451 0.204584 0.26686 32 TYR E N +6132 C CA . TYR E 38 ? 1.16899 1.2655 1.24034 0.186518 0.188773 0.247244 32 TYR E CA +6133 C C . TYR E 38 ? 1.14914 1.22863 1.20292 0.184189 0.182916 0.228219 32 TYR E C +6134 O O . TYR E 38 ? 1.09835 1.16114 1.11924 0.188232 0.191672 0.210286 32 TYR E O +6135 C CB . TYR E 38 ? 1.25445 1.34557 1.29314 0.190516 0.198966 0.239609 32 TYR E CB +6136 C CG . TYR E 38 ? 1.29467 1.40339 1.34992 0.188366 0.196513 0.257675 32 TYR E CG +6137 C CD1 . TYR E 38 ? 1.15456 1.276 1.23478 0.19705 0.214222 0.276599 32 TYR E CD1 +6138 C CD2 . TYR E 38 ? 1.33141 1.44411 1.38152 0.177469 0.176698 0.257352 32 TYR E CD2 +6139 C CE1 . TYR E 38 ? 1.17942 1.31756 1.27705 0.194344 0.211251 0.294156 32 TYR E CE1 +6140 C CE2 . TYR E 38 ? 1.26276 1.39028 1.32936 0.174827 0.174123 0.274257 32 TYR E CE2 +6141 C CZ . TYR E 38 ? 1.18869 1.32941 1.2786 0.18293 0.190804 0.292646 32 TYR E CZ +6142 O OH . TYR E 38 ? 1.11657 1.2721 1.22308 0.179805 0.188001 0.309752 32 TYR E OH +6143 N N . LEU E 39 ? 1.14954 1.23286 1.22314 0.175614 0.166126 0.232225 33 LEU E N +6144 C CA . LEU E 39 ? 1.04854 1.11753 1.1093 0.172125 0.158718 0.216394 33 LEU E CA +6145 C C . LEU E 39 ? 0.992748 1.06239 1.05361 0.157471 0.134185 0.213937 33 LEU E C +6146 O O . LEU E 39 ? 0.977925 1.06005 1.06442 0.149966 0.123475 0.230103 33 LEU E O +6147 C CB . LEU E 39 ? 1.02859 1.09948 1.11724 0.178383 0.168057 0.22581 33 LEU E CB +6148 C CG . LEU E 39 ? 1.17486 1.22904 1.24875 0.176785 0.164288 0.208923 33 LEU E CG +6149 C CD1 . LEU E 39 ? 1.26467 1.30412 1.3257 0.189713 0.187785 0.199621 33 LEU E CD1 +6150 C CD2 . LEU E 39 ? 1.28785 1.34983 1.39194 0.169804 0.151093 0.220842 33 LEU E CD2 +6151 N N . ALA E 40 ? 1.02615 1.08106 1.05809 0.152991 0.126215 0.193906 34 ALA E N +6152 C CA . ALA E 40 ? 1.04574 1.09725 1.07284 0.139945 0.10608 0.188787 34 ALA E CA +6153 C C . ALA E 40 ? 1.02227 1.06236 1.04499 0.136456 0.100219 0.177842 34 ALA E C +6154 O O . ALA E 40 ? 1.09548 1.12695 1.1095 0.144036 0.110882 0.168718 34 ALA E O +6155 C CB . ALA E 40 ? 0.964271 1.01045 0.965035 0.137053 0.101076 0.177452 34 ALA E CB +6156 N N . TRP E 41 ? 0.971985 1.01043 0.999198 0.124173 0.0836621 0.178738 35 TRP E N +6157 C CA . TRP E 41 ? 0.935021 0.962337 0.955944 0.11899 0.0763891 0.168401 35 TRP E CA +6158 C C . TRP E 41 ? 0.886704 0.903685 0.88677 0.109119 0.0639069 0.155579 35 TRP E C +6159 O O . TRP E 41 ? 0.891124 0.910507 0.894041 0.100781 0.0552688 0.161714 35 TRP E O +6160 C CB . TRP E 41 ? 0.975382 1.01004 1.02372 0.112574 0.0692286 0.18434 35 TRP E CB +6161 C CG . TRP E 41 ? 1.03054 1.07274 1.10231 0.123046 0.0821171 0.195585 35 TRP E CG +6162 C CD1 . TRP E 41 ? 1.10576 1.16429 1.20712 0.127843 0.0890245 0.216554 35 TRP E CD1 +6163 C CD2 . TRP E 41 ? 1.05716 1.09022 1.12735 0.130173 0.0906269 0.187588 35 TRP E CD2 +6164 N NE1 . TRP E 41 ? 1.00007 1.06043 1.11992 0.138315 0.102376 0.222773 35 TRP E NE1 +6165 C CE2 . TRP E 41 ? 1.0282 1.07197 1.12824 0.139991 0.103892 0.204621 35 TRP E CE2 +6166 C CE3 . TRP E 41 ? 1.05486 1.07159 1.1026 0.129255 0.0889672 0.168416 35 TRP E CE3 +6167 C CZ2 . TRP E 41 ? 1.0476 1.08428 1.15468 0.149333 0.116471 0.202318 35 TRP E CZ2 +6168 C CZ3 . TRP E 41 ? 1.1323 1.14229 1.18561 0.137515 0.100038 0.165742 35 TRP E CZ3 +6169 C CH2 . TRP E 41 ? 1.16666 1.18559 1.2488 0.147604 0.114026 0.182159 35 TRP E CH2 +6170 N N . TYR E 42 ? 0.905278 0.909867 0.885959 0.109552 0.0633819 0.138551 36 TYR E N +6171 C CA . TYR E 42 ? 0.899507 0.89414 0.8639 0.100989 0.0532393 0.127218 36 TYR E CA +6172 C C . TYR E 42 ? 0.865243 0.849592 0.827222 0.0942561 0.0464005 0.120127 36 TYR E C +6173 O O . TYR E 42 ? 0.83705 0.820065 0.804047 0.0985589 0.0508765 0.119127 36 TYR E O +6174 C CB . TYR E 42 ? 0.930287 0.920795 0.873428 0.106731 0.0579586 0.114025 36 TYR E CB +6175 C CG . TYR E 42 ? 0.864631 0.864514 0.806627 0.112777 0.0644851 0.120587 36 TYR E CG +6176 C CD1 . TYR E 42 ? 0.935891 0.940526 0.878047 0.122538 0.0771354 0.123764 36 TYR E CD1 +6177 C CD2 . TYR E 42 ? 0.919234 0.921522 0.859012 0.108715 0.0591474 0.123416 36 TYR E CD2 +6178 C CE1 . TYR E 42 ? 1.11448 1.12717 1.05362 0.127495 0.083617 0.130087 36 TYR E CE1 +6179 C CE2 . TYR E 42 ? 1.0392 1.0505 0.978154 0.113834 0.0646301 0.130447 36 TYR E CE2 +6180 C CZ . TYR E 42 ? 1.10749 1.12445 1.04522 0.122988 0.0765688 0.133763 36 TYR E CZ +6181 O OH . TYR E 42 ? 1.08492 1.11032 1.01995 0.127649 0.0826904 0.141018 36 TYR E OH +6182 N N . GLN E 43 ? 0.922222 0.897968 0.875907 0.0837643 0.0367326 0.115281 37 GLN E N +6183 C CA . GLN E 43 ? 0.977386 0.941562 0.924519 0.0761367 0.030339 0.107336 37 GLN E CA +6184 C C . GLN E 43 ? 1.03066 0.98559 0.959344 0.0767269 0.030702 0.0917963 37 GLN E C +6185 O O . GLN E 43 ? 1.12375 1.07765 1.04719 0.0750235 0.0297234 0.0908689 37 GLN E O +6186 C CB . GLN E 43 ? 1.01589 0.975526 0.966637 0.061916 0.0199882 0.115306 37 GLN E CB +6187 C CG . GLN E 43 ? 1.05107 0.997111 0.992236 0.0519262 0.013243 0.10802 37 GLN E CG +6188 C CD . GLN E 43 ? 1.04788 0.983908 0.982744 0.0361726 0.00424766 0.112177 37 GLN E CD +6189 O OE1 . GLN E 43 ? 1.12294 1.05233 1.04874 0.0334533 0.00507208 0.108628 37 GLN E OE1 +6190 N NE2 . GLN E 43 ? 1.04654 0.980203 0.985268 0.0249305 -0.00422577 0.120295 37 GLN E NE2 +6191 N N . GLN E 44 ? 1.10185 1.05026 1.0226 0.0787958 0.0320108 0.0807509 38 GLN E N +6192 C CA . GLN E 44 ? 1.07728 1.01853 0.983883 0.0781335 0.0312176 0.0680583 38 GLN E CA +6193 C C . GLN E 44 ? 0.980494 0.910077 0.881889 0.0710523 0.0268398 0.0601698 38 GLN E C +6194 O O . GLN E 44 ? 1.12526 1.05223 1.02587 0.0732369 0.0281651 0.0554028 38 GLN E O +6195 C CB . GLN E 44 ? 1.11879 1.06381 1.01706 0.0873532 0.0373178 0.0610789 38 GLN E CB +6196 C CG . GLN E 44 ? 1.12037 1.06213 1.00756 0.0861508 0.0350416 0.0515812 38 GLN E CG +6197 C CD . GLN E 44 ? 1.09137 1.03399 0.966822 0.0914991 0.0383123 0.0434488 38 GLN E CD +6198 O OE1 . GLN E 44 ? 1.21888 1.15691 1.09096 0.0938903 0.041784 0.0389054 38 GLN E OE1 +6199 N NE2 . GLN E 44 ? 1.04896 0.996714 0.917914 0.092646 0.0371386 0.0424567 38 GLN E NE2 +6200 N N . LYS E 45 ? 1.05484 0.975734 0.951439 0.0626725 0.0229083 0.0582244 39 LYS E N +6201 C CA . LYS E 45 ? 1.17782 1.08642 1.06721 0.0556655 0.0201847 0.0502914 39 LYS E CA +6202 C C . LYS E 45 ? 1.19285 1.10023 1.07569 0.0603525 0.0229633 0.0391056 39 LYS E C +6203 O O . LYS E 45 ? 1.15434 1.0689 1.03693 0.066349 0.02542 0.0385508 39 LYS E O +6204 C CB . LYS E 45 ? 1.30772 1.20462 1.19196 0.0443438 0.0170946 0.0524946 39 LYS E CB +6205 C CG . LYS E 45 ? 1.34328 1.23885 1.23124 0.035086 0.0111801 0.0635051 39 LYS E CG +6206 C CD . LYS E 45 ? 1.4529 1.33403 1.33077 0.0230426 0.00916343 0.0645776 39 LYS E CD +6207 C CE . LYS E 45 ? 1.49296 1.36849 1.36873 0.00915913 0.00094322 0.0739769 39 LYS E CE +6208 N NZ . LYS E 45 ? 1.59349 1.46237 1.46369 0.00252017 -0.00327559 0.071412 39 LYS E NZ +6209 N N . PRO E 46 ? 1.29685 1.19608 1.17485 0.0570342 0.0219278 0.0310743 40 PRO E N +6210 C CA . PRO E 46 ? 1.32196 1.22147 1.19592 0.0603323 0.0234334 0.0219675 40 PRO E CA +6211 C C . PRO E 46 ? 1.42408 1.32402 1.29868 0.0604056 0.025147 0.021521 40 PRO E C +6212 O O . PRO E 46 ? 1.451 1.34181 1.32507 0.0547257 0.0264597 0.0229362 40 PRO E O +6213 C CB . PRO E 46 ? 1.37758 1.26693 1.24802 0.0546795 0.0218769 0.0156959 40 PRO E CB +6214 C CG . PRO E 46 ? 1.41043 1.29158 1.28019 0.0460686 0.0193419 0.0215668 40 PRO E CG +6215 C CD . PRO E 46 ? 1.33331 1.22366 1.21015 0.0491978 0.0185151 0.0316828 40 PRO E CD +6216 N N . GLY E 47 ? 1.47952 1.38922 1.35472 0.0664366 0.0254854 0.0201012 41 GLY E N +6217 C CA . GLY E 47 ? 1.47025 1.38351 1.35006 0.0676123 0.0266561 0.0213941 41 GLY E CA +6218 C C . GLY E 47 ? 1.26281 1.17933 1.14744 0.0693039 0.0287223 0.0299704 41 GLY E C +6219 O O . GLY E 47 ? 1.30054 1.21866 1.19161 0.0704441 0.0308721 0.0328981 41 GLY E O +6220 N N . GLN E 48 ? 1.24144 1.15957 1.12509 0.0697019 0.0283978 0.0351176 42 GLN E N +6221 C CA . GLN E 48 ? 1.21446 1.13503 1.10276 0.0703195 0.029963 0.0437511 42 GLN E CA +6222 C C . GLN E 48 ? 1.20829 1.1422 1.09719 0.0766906 0.0298541 0.049616 42 GLN E C +6223 O O . GLN E 48 ? 1.36091 1.29747 1.24689 0.0787591 0.0297825 0.0484304 42 GLN E O +6224 C CB . GLN E 48 ? 1.39937 1.30787 1.28627 0.0622873 0.0295292 0.0463891 42 GLN E CB +6225 C CG . GLN E 48 ? 1.44861 1.34007 1.33089 0.0547316 0.0317254 0.0409168 42 GLN E CG +6226 C CD . GLN E 48 ? 1.73263 1.6108 1.60842 0.0442184 0.0297257 0.0436679 42 GLN E CD +6227 O OE1 . GLN E 48 ? 1.55919 1.44094 1.43754 0.0423161 0.0272129 0.0519323 42 GLN E OE1 +6228 N NE2 . GLN E 48 ? 2.12287 1.98593 1.98961 0.0362314 0.030114 0.0375232 42 GLN E NE2 +6229 N N . PRO E 49 ? 1.09522 1.03683 0.988453 0.0801112 0.0311517 0.0568835 43 PRO E N +6230 C CA . PRO E 49 ? 0.966032 0.91953 0.858898 0.0857383 0.0323469 0.0635555 43 PRO E CA +6231 C C . PRO E 49 ? 0.85653 0.80949 0.753164 0.0844544 0.0332643 0.0692095 43 PRO E C +6232 O O . PRO E 49 ? 0.959005 0.903398 0.859347 0.0777254 0.0314803 0.0712503 43 PRO E O +6233 C CB . PRO E 49 ? 1.00125 0.960177 0.900225 0.0874831 0.0331649 0.0713918 43 PRO E CB +6234 C CG . PRO E 49 ? 1.02882 0.97457 0.933085 0.08168 0.034035 0.0703687 43 PRO E CG +6235 C CD . PRO E 49 ? 1.05663 0.994696 0.956192 0.0788426 0.0328946 0.0599597 43 PRO E CD +6236 N N . PRO E 50 ? 0.85384 0.81553 0.749682 0.0901763 0.0363722 0.0728354 44 PRO E N +6237 C CA . PRO E 50 ? 0.916556 0.880216 0.821004 0.0896378 0.0377534 0.0807112 44 PRO E CA +6238 C C . PRO E 50 ? 0.872467 0.837037 0.786646 0.0847829 0.0356726 0.0915989 44 PRO E C +6239 O O . PRO E 50 ? 0.944332 0.908518 0.858421 0.0838771 0.0352447 0.0936679 44 PRO E O +6240 C CB . PRO E 50 ? 0.907634 0.880205 0.809323 0.0984247 0.0446395 0.0828801 44 PRO E CB +6241 C CG . PRO E 50 ? 0.919701 0.890877 0.805881 0.101169 0.0451288 0.0724095 44 PRO E CG +6242 C CD . PRO E 50 ? 0.876339 0.845422 0.762528 0.0966136 0.0392167 0.0701728 44 PRO E CD +6243 N N . LYS E 51 ? 0.882107 0.847489 0.805692 0.0809046 0.0340323 0.0994604 45 LYS E N +6244 C CA . LYS E 51 ? 0.949325 0.914892 0.881559 0.0740671 0.0307037 0.11059 45 LYS E CA +6245 C C . LYS E 51 ? 0.973452 0.95231 0.920045 0.0778018 0.0331897 0.123635 45 LYS E C +6246 O O . LYS E 51 ? 1.00416 0.98492 0.957665 0.0777178 0.0328492 0.126037 45 LYS E O +6247 C CB . LYS E 51 ? 1.02001 0.971497 0.949544 0.061142 0.0236837 0.109001 45 LYS E CB +6248 C CG . LYS E 51 ? 1.13398 1.08307 1.06977 0.05072 0.0185368 0.120653 45 LYS E CG +6249 C CD . LYS E 51 ? 1.28342 1.21821 1.21315 0.0358896 0.0106946 0.120165 45 LYS E CD +6250 C CE . LYS E 51 ? 1.53633 1.47093 1.4723 0.0249942 0.0047755 0.133616 45 LYS E CE +6251 N NZ . LYS E 51 ? 1.58248 1.50135 1.50861 0.00735909 -0.00415235 0.134564 45 LYS E NZ +6252 N N . LEU E 52 ? 0.95682 0.94501 0.910242 0.0808254 0.0359795 0.133548 46 LEU E N +6253 C CA . LEU E 52 ? 0.933186 0.934676 0.903461 0.0838561 0.0390567 0.148131 46 LEU E CA +6254 C C . LEU E 52 ? 0.892442 0.892913 0.875827 0.0720675 0.0304114 0.158898 46 LEU E C +6255 O O . LEU E 52 ? 0.812682 0.803848 0.792218 0.060499 0.022825 0.160078 46 LEU E O +6256 C CB . LEU E 52 ? 0.949979 0.961128 0.924325 0.0884074 0.0434818 0.156929 46 LEU E CB +6257 C CG . LEU E 52 ? 1.02181 1.04806 1.01579 0.0922911 0.0483314 0.173496 46 LEU E CG +6258 C CD1 . LEU E 52 ? 0.933865 0.965858 0.927392 0.104524 0.0598004 0.170873 46 LEU E CD1 +6259 C CD2 . LEU E 52 ? 1.2886 1.32278 1.28795 0.0930194 0.050144 0.184059 46 LEU E CD2 +6260 N N . LEU E 53 ? 0.987801 0.997515 0.986808 0.0747771 0.0321261 0.167747 47 LEU E N +6261 C CA . LEU E 53 ? 1.00265 1.01582 1.01798 0.0637773 0.0230925 0.181725 47 LEU E CA +6262 C C . LEU E 53 ? 0.978983 1.01044 1.01892 0.0668656 0.0262257 0.201846 47 LEU E C +6263 O O . LEU E 53 ? 1.09014 1.12359 1.13763 0.0555422 0.0176814 0.213453 47 LEU E O +6264 C CB . LEU E 53 ? 1.07402 1.08585 1.09387 0.0645697 0.0223353 0.179665 47 LEU E CB +6265 C CG . LEU E 53 ? 1.18266 1.17751 1.1808 0.0611941 0.0193141 0.161223 47 LEU E CG +6266 C CD1 . LEU E 53 ? 1.21857 1.21471 1.22579 0.0629189 0.0193832 0.162719 47 LEU E CD1 +6267 C CD2 . LEU E 53 ? 1.20411 1.18408 1.18795 0.0451908 0.0084212 0.157327 47 LEU E CD2 +6268 N N . ILE E 54 ? 0.857422 0.900546 0.909046 0.0814937 0.0391098 0.205846 48 ILE E N +6269 C CA . ILE E 54 ? 0.893177 0.954629 0.971288 0.086629 0.0452482 0.225835 48 ILE E CA +6270 C C . ILE E 54 ? 0.949336 1.0156 1.02084 0.101075 0.0606389 0.222442 48 ILE E C +6271 O O . ILE E 54 ? 1.10337 1.16128 1.15522 0.109718 0.0688545 0.206664 48 ILE E O +6272 C CB . ILE E 54 ? 0.908946 0.979929 1.01177 0.0908194 0.0489335 0.237627 48 ILE E CB +6273 C CG1 . ILE E 54 ? 0.949479 1.01486 1.0555 0.0768011 0.0336919 0.239773 48 ILE E CG1 +6274 C CG2 . ILE E 54 ? 0.891555 0.983097 1.02689 0.0947426 0.0545746 0.261606 48 ILE E CG2 +6275 C CD1 . ILE E 54 ? 0.962013 1.03031 1.07586 0.0583232 0.0168869 0.253766 48 ILE E CD1 +6276 N N . TYR E 55 ? 0.984378 1.06403 1.07163 0.102693 0.0642361 0.238047 49 TYR E N +6277 C CA . TYR E 55 ? 1.06418 1.15019 1.14764 0.116299 0.0802845 0.238442 49 TYR E CA +6278 C C . TYR E 55 ? 1.10135 1.20634 1.21756 0.120797 0.0881187 0.261728 49 TYR E C +6279 O O . TYR E 55 ? 1.01973 1.13359 1.16036 0.11111 0.0776823 0.277813 49 TYR E O +6280 C CB . TYR E 55 ? 1.01448 1.09594 1.07772 0.114743 0.0782212 0.231292 49 TYR E CB +6281 C CG . TYR E 55 ? 1.07239 1.15788 1.146 0.10325 0.0671734 0.243346 49 TYR E CG +6282 C CD1 . TYR E 55 ? 1.21598 1.28991 1.28391 0.0886753 0.0519183 0.239165 49 TYR E CD1 +6283 C CD2 . TYR E 55 ? 1.10152 1.2001 1.18822 0.10636 0.0728558 0.258246 49 TYR E CD2 +6284 C CE1 . TYR E 55 ? 1.28041 1.3537 1.35408 0.077048 0.0427289 0.248634 49 TYR E CE1 +6285 C CE2 . TYR E 55 ? 1.09457 1.19485 1.18955 0.0951009 0.0627678 0.268713 49 TYR E CE2 +6286 C CZ . TYR E 55 ? 1.14155 1.22808 1.22924 0.0800807 0.0476364 0.263461 49 TYR E CZ +6287 O OH . TYR E 55 ? 1.02009 1.1027 1.11144 0.066991 0.0376589 0.271372 49 TYR E OH +6288 N N . TRP E 56 ? 1.10326 1.21399 1.21926 0.13471 0.106585 0.264019 50 TRP E N +6289 C CA . TRP E 56 ? 1.09923 1.22782 1.24743 0.141746 0.118421 0.286052 50 TRP E CA +6290 C C . TRP E 56 ? 1.01595 1.15038 1.19239 0.142729 0.119122 0.296704 50 TRP E C +6291 O O . TRP E 56 ? 1.11065 1.26271 1.32335 0.141233 0.118725 0.320099 50 TRP E O +6292 C CB . TRP E 56 ? 1.14546 1.28794 1.31191 0.133125 0.109754 0.304416 50 TRP E CB +6293 C CG . TRP E 56 ? 1.16744 1.30769 1.31318 0.134667 0.112645 0.299149 50 TRP E CG +6294 C CD1 . TRP E 56 ? 1.24724 1.38041 1.36602 0.145303 0.126184 0.286063 50 TRP E CD1 +6295 C CD2 . TRP E 56 ? 1.07549 1.22034 1.22589 0.124056 0.101023 0.308301 50 TRP E CD2 +6296 N NE1 . TRP E 56 ? 1.09596 1.23078 1.20404 0.142589 0.123324 0.287422 50 TRP E NE1 +6297 C CE2 . TRP E 56 ? 1.14222 1.2835 1.2699 0.130194 0.108604 0.300515 50 TRP E CE2 +6298 C CE3 . TRP E 56 ? 0.977619 1.12779 1.14757 0.108913 0.0846675 0.322321 50 TRP E CE3 +6299 C CZ2 . TRP E 56 ? 1.14763 1.29117 1.2748 0.123204 0.101369 0.306924 50 TRP E CZ2 +6300 C CZ3 . TRP E 56 ? 1.03933 1.18948 1.20621 0.101306 0.0779383 0.327159 50 TRP E CZ3 +6301 C CH2 . TRP E 56 ? 1.11673 1.26374 1.26375 0.109064 0.0865867 0.319611 50 TRP E CH2 +6302 N N . ALA E 57 ? 0.988359 1.10865 1.14956 0.145049 0.119901 0.280632 51 ALA E N +6303 C CA . ALA E 57 ? 1.0248 1.14777 1.20939 0.146788 0.121072 0.288264 51 ALA E CA +6304 C C . ALA E 57 ? 0.972027 1.10069 1.1739 0.129631 0.0978462 0.29934 51 ALA E C +6305 O O . ALA E 57 ? 0.949391 1.07054 1.15004 0.126492 0.0919966 0.293631 51 ALA E O +6306 C CB . ALA E 57 ? 1.0494 1.18596 1.26607 0.161017 0.142153 0.306759 51 ALA E CB +6307 N N . SER E 58 ? 0.940059 1.08096 1.15727 0.117797 0.0848934 0.315666 52 SER E N +6308 C CA . SER E 58 ? 0.969762 1.11555 1.20246 0.0995603 0.0630706 0.328494 52 SER E CA +6309 C C . SER E 58 ? 0.958618 1.09852 1.17474 0.0823223 0.0454861 0.326239 52 SER E C +6310 O O . SER E 58 ? 0.955547 1.09326 1.17402 0.0645878 0.0266351 0.332372 52 SER E O +6311 C CB . SER E 58 ? 1.07394 1.24352 1.35451 0.0995674 0.0635343 0.359237 52 SER E CB +6312 O OG . SER E 58 ? 1.18688 1.37271 1.48936 0.110011 0.078256 0.37463 52 SER E OG +6313 N N . THR E 59 ? 0.994371 1.13023 1.19283 0.086307 0.0513882 0.318014 53 THR E N +6314 C CA . THR E 59 ? 1.01242 1.13968 1.19499 0.0708008 0.0366869 0.315084 53 THR E CA +6315 C C . THR E 59 ? 1.01171 1.1151 1.15896 0.0636912 0.0283864 0.29095 53 THR E C +6316 O O . THR E 59 ? 0.927494 1.02043 1.05185 0.0742541 0.037744 0.271759 53 THR E O +6317 C CB . THR E 59 ? 1.05116 1.18273 1.22934 0.0779952 0.0462159 0.3161 53 THR E CB +6318 O OG1 . THR E 59 ? 1.11852 1.27248 1.33223 0.0808489 0.0512571 0.341365 53 THR E OG1 +6319 C CG2 . THR E 59 ? 1.03874 1.1579 1.19837 0.0641268 0.0338851 0.310601 53 THR E CG2 +6320 N N . ARG E 60 ? 1.02729 1.12151 1.16933 0.044445 0.010632 0.29277 54 ARG E N +6321 C CA . ARG E 60 ? 0.961583 1.0328 1.07279 0.0364056 0.00329369 0.272105 54 ARG E CA +6322 C C . ARG E 60 ? 1.01325 1.06903 1.10053 0.03183 0.00212119 0.260183 54 ARG E C +6323 O O . ARG E 60 ? 1.11293 1.16954 1.20543 0.0213705 -0.00434884 0.270975 54 ARG E O +6324 C CB . ARG E 60 ? 0.976609 1.04451 1.09297 0.0169057 -0.0140592 0.281658 54 ARG E CB +6325 C CG . ARG E 60 ? 0.962999 1.01063 1.05368 0.0107027 -0.0194881 0.263327 54 ARG E CG +6326 C CD . ARG E 60 ? 0.998554 1.04747 1.09832 -0.00682333 -0.035434 0.276519 54 ARG E CD +6327 N NE . ARG E 60 ? 1.2284 1.27054 1.32285 -0.0289304 -0.0505436 0.286371 54 ARG E NE +6328 C CZ . ARG E 60 ? 1.29339 1.35107 1.41251 -0.041403 -0.062337 0.310916 54 ARG E CZ +6329 N NH1 . ARG E 60 ? 1.20099 1.28371 1.3557 -0.0317209 -0.0590403 0.329217 54 ARG E NH1 +6330 N NH2 . ARG E 60 ? 1.33447 1.38214 1.44334 -0.063385 -0.0765417 0.317614 54 ARG E NH2 +6331 N N . GLU E 61 ? 1.01605 1.05747 1.07858 0.0390208 0.00807761 0.238881 55 GLU E N +6332 C CA . GLU E 61 ? 1.07686 1.10363 1.11877 0.0371247 0.00892687 0.227234 55 GLU E CA +6333 C C . GLU E 61 ? 1.11124 1.11795 1.13953 0.0169524 -0.00369428 0.224876 55 GLU E C +6334 O O . GLU E 61 ? 1.17387 1.17408 1.19953 0.00528636 -0.0129778 0.22556 55 GLU E O +6335 C CB . GLU E 61 ? 1.0851 1.10446 1.10821 0.0496417 0.0177759 0.207689 55 GLU E CB +6336 C CG . GLU E 61 ? 1.1472 1.15198 1.15162 0.0488033 0.0190855 0.195991 55 GLU E CG +6337 C CD . GLU E 61 ? 1.22508 1.23705 1.23173 0.0566387 0.0258486 0.200469 55 GLU E CD +6338 O OE1 . GLU E 61 ? 1.11297 1.14158 1.13502 0.062226 0.0301423 0.213984 55 GLU E OE1 +6339 O OE2 . GLU E 61 ? 1.36897 1.36955 1.36233 0.0573288 0.0274246 0.190956 55 GLU E OE2 +6340 N N . SER E 62 ? 1.06102 1.05672 1.07964 0.0126923 -0.00315588 0.222456 56 SER E N +6341 C CA . SER E 62 ? 0.962968 0.934264 0.964086 -0.00540983 -0.0111639 0.217893 56 SER E CA +6342 C C . SER E 62 ? 0.986275 0.937985 0.96585 -0.0104642 -0.0130687 0.201163 56 SER E C +6343 O O . SER E 62 ? 1.16063 1.11006 1.13189 0.00199053 -0.00486862 0.187281 56 SER E O +6344 C CB . SER E 62 ? 1.04781 1.0088 1.04109 -0.00277493 -0.00486805 0.213557 56 SER E CB +6345 O OG . SER E 62 ? 1.27698 1.25878 1.28685 0.011471 0.00282668 0.222746 56 SER E OG +6346 N N . GLY E 63 ? 1.05583 0.99346 1.02574 -0.0297901 -0.0243201 0.203289 57 GLY E N +6347 C CA . GLY E 63 ? 1.0243 0.939328 0.970214 -0.0377292 -0.0260911 0.187859 57 GLY E CA +6348 C C . GLY E 63 ? 1.08635 1.0123 1.03842 -0.0349183 -0.0298371 0.188255 57 GLY E C +6349 O O . GLY E 63 ? 1.20084 1.11014 1.13505 -0.0449819 -0.0341997 0.179601 57 GLY E O +6350 N N . VAL E 64 ? 1.10344 1.05591 1.0804 -0.0213868 -0.0270955 0.198526 58 VAL E N +6351 C CA . VAL E 64 ? 0.951368 0.913331 0.936351 -0.0170318 -0.0286345 0.199245 58 VAL E CA +6352 C C . VAL E 64 ? 0.882173 0.847054 0.875396 -0.0354994 -0.0436092 0.215635 58 VAL E C +6353 O O . VAL E 64 ? 0.897491 0.875309 0.908903 -0.0414552 -0.0493196 0.233851 58 VAL E O +6354 C CB . VAL E 64 ? 0.953064 0.938924 0.960487 0.00403266 -0.0179018 0.204212 58 VAL E CB +6355 C CG1 . VAL E 64 ? 0.942963 0.938293 0.962515 0.00864477 -0.0183793 0.207473 58 VAL E CG1 +6356 C CG2 . VAL E 64 ? 0.970751 0.953558 0.966933 0.0198087 -0.00521557 0.188775 58 VAL E CG2 +6357 N N . PRO E 65 ? 0.887939 0.841831 0.868698 -0.0458254 -0.0510196 0.211019 59 PRO E N +6358 C CA . PRO E 65 ? 0.93716 0.893087 0.923087 -0.0658938 -0.0674081 0.227399 59 PRO E CA +6359 C C . PRO E 65 ? 0.958818 0.94558 0.983839 -0.0606136 -0.0708794 0.251685 59 PRO E C +6360 O O . PRO E 65 ? 0.804724 0.808873 0.850323 -0.0395727 -0.0588305 0.252465 59 PRO E O +6361 C CB . PRO E 65 ? 0.889592 0.831295 0.856964 -0.0718611 -0.0709533 0.216384 59 PRO E CB +6362 C CG . PRO E 65 ? 0.911888 0.835905 0.856542 -0.0607241 -0.0577099 0.191961 59 PRO E CG +6363 C CD . PRO E 65 ? 0.914022 0.853369 0.87504 -0.0398617 -0.0448001 0.190952 59 PRO E CD +6364 N N . ASP E 66 ? 1.11638 1.10714 1.14901 -0.0815752 -0.0875418 0.271108 60 ASP E N +6365 C CA . ASP E 66 ? 1.18591 1.20544 1.25761 -0.0826967 -0.0950322 0.298936 60 ASP E CA +6366 C C . ASP E 66 ? 1.13232 1.16815 1.22687 -0.0666118 -0.088425 0.302744 60 ASP E C +6367 O O . ASP E 66 ? 1.0489 1.11072 1.18134 -0.0559514 -0.0844127 0.322181 60 ASP E O +6368 C CB . ASP E 66 ? 1.30524 1.32063 1.37252 -0.11281 -0.117512 0.316184 60 ASP E CB +6369 C CG . ASP E 66 ? 1.40447 1.39958 1.4433 -0.13357 -0.131288 0.310585 60 ASP E CG +6370 O OD1 . ASP E 66 ? 1.26627 1.24545 1.28311 -0.126756 -0.123834 0.290168 60 ASP E OD1 +6371 O OD2 . ASP E 66 ? 1.39322 1.3867 1.42885 -0.159327 -0.150767 0.327007 60 ASP E OD2 +6372 N N . ARG E 67 ? 1.1356 1.15596 1.20897 -0.0651392 -0.086603 0.285628 61 ARG E N +6373 C CA . ARG E 67 ? 1.03653 1.06853 1.12914 -0.0549736 -0.0835933 0.290589 61 ARG E CA +6374 C C . ARG E 67 ? 0.999658 1.04334 1.10984 -0.0263884 -0.0623982 0.283959 61 ARG E C +6375 O O . ARG E 67 ? 0.885442 0.94519 1.02426 -0.0152277 -0.0569808 0.295707 61 ARG E O +6376 C CB . ARG E 67 ? 0.980362 0.990931 1.04334 -0.0648542 -0.089466 0.27528 61 ARG E CB +6377 C CG . ARG E 67 ? 1.0216 1.00865 1.05008 -0.0569223 -0.0777792 0.245219 61 ARG E CG +6378 C CD . ARG E 67 ? 1.06207 1.03036 1.06576 -0.0645529 -0.0815101 0.231578 61 ARG E CD +6379 N NE . ARG E 67 ? 1.06592 1.01217 1.03863 -0.0587137 -0.0710062 0.204867 61 ARG E NE +6380 C CZ . ARG E 67 ? 1.21477 1.13914 1.15828 -0.070545 -0.0723668 0.19351 61 ARG E CZ +6381 N NH1 . ARG E 67 ? 1.20921 1.12731 1.14505 -0.0910142 -0.0847055 0.204518 61 ARG E NH1 +6382 N NH2 . ARG E 67 ? 1.38212 1.28987 1.30431 -0.062639 -0.0611775 0.171737 61 ARG E NH2 +6383 N N . PHE E 68 ? 1.00643 1.04124 1.09927 -0.01489 -0.0498805 0.265883 62 PHE E N +6384 C CA . PHE E 68 ? 0.988427 1.03255 1.093 0.00959055 -0.0305157 0.259862 62 PHE E CA +6385 C C . PHE E 68 ? 1.12384 1.19139 1.26221 0.0166832 -0.0254376 0.281774 62 PHE E C +6386 O O . PHE E 68 ? 1.31986 1.39035 1.45936 0.00667834 -0.0324285 0.29051 62 PHE E O +6387 C CB . PHE E 68 ? 0.972716 1.00085 1.04738 0.0173079 -0.0210061 0.235602 62 PHE E CB +6388 C CG . PHE E 68 ? 0.984824 0.991848 1.03033 0.0137963 -0.0226074 0.214222 62 PHE E CG +6389 C CD1 . PHE E 68 ? 1.04381 1.03241 1.06539 -0.00483811 -0.0344041 0.207842 62 PHE E CD1 +6390 C CD2 . PHE E 68 ? 1.03896 1.0435 1.08079 0.0284019 -0.0116599 0.201104 62 PHE E CD2 +6391 C CE1 . PHE E 68 ? 1.05335 1.02348 1.05068 -0.00767969 -0.0344896 0.189874 62 PHE E CE1 +6392 C CE2 . PHE E 68 ? 1.11518 1.10197 1.13296 0.0248994 -0.0132885 0.18308 62 PHE E CE2 +6393 C CZ . PHE E 68 ? 1.14252 1.11303 1.13933 0.00745647 -0.0242656 0.177923 62 PHE E CZ +6394 N N . SER E 69 ? 1.20638 1.28914 1.37211 0.0337946 -0.0121704 0.290689 63 SER E N +6395 C CA . SER E 69 ? 1.22274 1.32877 1.4247 0.0418333 -0.00489553 0.313583 63 SER E CA +6396 C C . SER E 69 ? 1.32963 1.44147 1.54469 0.0663087 0.0187533 0.310345 63 SER E C +6397 O O . SER E 69 ? 1.46089 1.57215 1.68602 0.0738174 0.0247478 0.310319 63 SER E O +6398 C CB . SER E 69 ? 1.04989 1.17394 1.28599 0.0286364 -0.0194555 0.342796 63 SER E CB +6399 O OG . SER E 69 ? 1.03679 1.15607 1.27335 0.0231402 -0.0271268 0.342873 63 SER E OG +6400 N N . GLY E 70 ? 1.34716 1.46343 1.5614 0.0780429 0.0326947 0.308347 64 GLY E N +6401 C CA . GLY E 70 ? 1.34006 1.45932 1.56241 0.0999973 0.0567657 0.305298 64 GLY E CA +6402 C C . GLY E 70 ? 1.26355 1.40641 1.532 0.107806 0.0662165 0.333923 64 GLY E C +6403 O O . GLY E 70 ? 1.14903 1.30754 1.4387 0.0970553 0.0548557 0.354373 64 GLY E O +6404 N N . SER E 71 ? 1.18319 1.32749 1.46706 0.12608 0.0876389 0.335589 65 SER E N +6405 C CA . SER E 71 ? 1.11118 1.27735 1.44306 0.135728 0.100055 0.36385 65 SER E CA +6406 C C . SER E 71 ? 1.03498 1.1941 1.36806 0.158839 0.130945 0.356735 65 SER E C +6407 O O . SER E 71 ? 0.964008 1.10142 1.26472 0.164928 0.138848 0.331928 65 SER E O +6408 C CB . SER E 71 ? 1.13023 1.30988 1.49806 0.126788 0.0864339 0.386409 65 SER E CB +6409 O OG . SER E 71 ? 1.11899 1.28251 1.47192 0.127701 0.085313 0.371516 65 SER E OG +6410 N N . GLY E 72 ? 0.993806 1.17006 1.36284 0.170818 0.148783 0.378502 66 GLY E N +6411 C CA . GLY E 72 ? 1.01521 1.1829 1.38522 0.192672 0.181322 0.373299 66 GLY E CA +6412 C C . GLY E 72 ? 1.08647 1.25338 1.43948 0.20078 0.19732 0.36822 66 GLY E C +6413 O O . GLY E 72 ? 1.08085 1.2519 1.41752 0.189896 0.182507 0.365437 66 GLY E O +6414 N N . SER E 73 ? 1.09756 1.25745 1.45346 0.219863 0.22883 0.367124 67 SER E N +6415 C CA . SER E 73 ? 1.03025 1.18747 1.36813 0.228694 0.247563 0.36256 67 SER E CA +6416 C C . SER E 73 ? 1.05977 1.19426 1.37833 0.246876 0.280702 0.347834 67 SER E C +6417 O O . SER E 73 ? 1.10109 1.22657 1.43274 0.254373 0.291373 0.347612 67 SER E O +6418 C CB . SER E 73 ? 0.967658 1.15333 1.34938 0.229704 0.250412 0.393659 67 SER E CB +6419 O OG . SER E 73 ? 0.949937 1.14518 1.37429 0.245916 0.276767 0.414826 67 SER E OG +6420 N N . GLY E 74 ? 1.08432 1.20709 1.36795 0.252717 0.296432 0.334378 68 GLY E N +6421 C CA . GLY E 74 ? 1.15806 1.25606 1.41717 0.26807 0.328904 0.319692 68 GLY E CA +6422 C C . GLY E 74 ? 1.21816 1.28673 1.427 0.2637 0.323496 0.287601 68 GLY E C +6423 O O . GLY E 74 ? 1.29548 1.35323 1.45895 0.256207 0.314136 0.267845 68 GLY E O +6424 N N . THR E 75 ? 1.23198 1.28862 1.45091 0.268071 0.328975 0.283907 69 THR E N +6425 C CA . THR E 75 ? 1.35033 1.37765 1.52349 0.265016 0.327273 0.254339 69 THR E CA +6426 C C . THR E 75 ? 1.44056 1.47101 1.62716 0.25515 0.302756 0.253273 69 THR E C +6427 O O . THR E 75 ? 1.59835 1.6119 1.74669 0.246818 0.289919 0.22998 69 THR E O +6428 C CB . THR E 75 ? 1.4286 1.42733 1.58477 0.279854 0.362289 0.242987 69 THR E CB +6429 O OG1 . THR E 75 ? 1.70251 1.70944 1.91093 0.291772 0.378848 0.265017 69 THR E OG1 +6430 C CG2 . THR E 75 ? 1.47159 1.45914 1.59785 0.287207 0.386711 0.237051 69 THR E CG2 +6431 N N . ASP E 76 ? 1.42336 1.47498 1.66267 0.255258 0.295904 0.278518 70 ASP E N +6432 C CA . ASP E 76 ? 1.28866 1.34326 1.53842 0.244283 0.271637 0.278455 70 ASP E CA +6433 C C . ASP E 76 ? 1.22956 1.30828 1.49284 0.227562 0.239956 0.291156 70 ASP E C +6434 O O . ASP E 76 ? 1.1617 1.26355 1.45653 0.227159 0.238523 0.314297 70 ASP E O +6435 C CB . ASP E 76 ? 1.27131 1.32573 1.5604 0.253578 0.283983 0.292768 70 ASP E CB +6436 C CG . ASP E 76 ? 1.34418 1.42171 1.69268 0.264572 0.299548 0.326655 70 ASP E CG +6437 O OD1 . ASP E 76 ? 1.49308 1.58424 1.85045 0.267988 0.307376 0.338034 70 ASP E OD1 +6438 O OD2 . ASP E 76 ? 1.31121 1.3946 1.69947 0.269278 0.302972 0.343305 70 ASP E OD2 +6439 N N . PHE E 77 ? 1.11121 1.18235 1.3486 0.213338 0.215555 0.275174 71 PHE E N +6440 C CA . PHE E 77 ? 1.09474 1.18058 1.33364 0.195898 0.186284 0.281146 71 PHE E CA +6441 C C . PHE E 77 ? 1.14487 1.22675 1.3838 0.183878 0.165371 0.277438 71 PHE E C +6442 O O . PHE E 77 ? 1.3792 1.44448 1.60776 0.188972 0.172791 0.264705 71 PHE E O +6443 C CB . PHE E 77 ? 1.24162 1.31832 1.43679 0.190499 0.180305 0.260962 71 PHE E CB +6444 C CG . PHE E 77 ? 1.20836 1.29153 1.40251 0.199282 0.196941 0.266838 71 PHE E CG +6445 C CD1 . PHE E 77 ? 1.1813 1.28672 1.40058 0.19395 0.188546 0.287768 71 PHE E CD1 +6446 C CD2 . PHE E 77 ? 1.1122 1.17823 1.27888 0.211608 0.220706 0.251816 71 PHE E CD2 +6447 C CE1 . PHE E 77 ? 1.20119 1.313 1.42041 0.201864 0.203946 0.294019 71 PHE E CE1 +6448 C CE2 . PHE E 77 ? 1.10718 1.1786 1.27127 0.218892 0.236219 0.257803 71 PHE E CE2 +6449 C CZ . PHE E 77 ? 1.20584 1.30093 1.39752 0.214614 0.2281 0.279238 71 PHE E CZ +6450 N N . THR E 78 ? 1.17184 1.26645 1.41848 0.167014 0.139615 0.287188 72 THR E N +6451 C CA . THR E 78 ? 1.18099 1.27211 1.42706 0.153888 0.119413 0.285717 72 THR E CA +6452 C C . THR E 78 ? 1.1914 1.28309 1.41746 0.134549 0.0940695 0.280992 72 THR E C +6453 O O . THR E 78 ? 1.35461 1.46154 1.59544 0.126996 0.0852641 0.296978 72 THR E O +6454 C CB . THR E 78 ? 1.16268 1.27196 1.45785 0.153595 0.11699 0.314738 72 THR E CB +6455 O OG1 . THR E 78 ? 1.17029 1.27382 1.48105 0.172451 0.142781 0.315914 72 THR E OG1 +6456 C CG2 . THR E 78 ? 1.14505 1.25265 1.43991 0.137543 0.0939245 0.316533 72 THR E CG2 +6457 N N . LEU E 79 ? 1.21746 1.29155 1.41123 0.126438 0.0833763 0.25981 73 LEU E N +6458 C CA . LEU E 79 ? 1.15558 1.22579 1.32962 0.107843 0.0610712 0.254324 73 LEU E CA +6459 C C . LEU E 79 ? 1.04863 1.1213 1.23632 0.0943285 0.0441974 0.265482 73 LEU E C +6460 O O . LEU E 79 ? 1.08392 1.14949 1.27365 0.0988902 0.0482602 0.260879 73 LEU E O +6461 C CB . LEU E 79 ? 1.08724 1.137 1.21831 0.107474 0.0611588 0.225301 73 LEU E CB +6462 C CG . LEU E 79 ? 1.05731 1.09844 1.16609 0.0896781 0.0415736 0.217045 73 LEU E CG +6463 C CD1 . LEU E 79 ? 1.07415 1.12453 1.18704 0.0815523 0.0341248 0.227941 73 LEU E CD1 +6464 C CD2 . LEU E 79 ? 1.04704 1.06956 1.11992 0.0911762 0.0434785 0.190595 73 LEU E CD2 +6465 N N . THR E 80 ? 1.00855 1.08958 1.20297 0.0766353 0.0250316 0.279667 74 THR E N +6466 C CA . THR E 80 ? 1.0136 1.09746 1.21927 0.0612926 0.00743551 0.292565 74 THR E CA +6467 C C . THR E 80 ? 1.11217 1.18256 1.28624 0.0396202 -0.0125497 0.283039 74 THR E C +6468 O O . THR E 80 ? 1.15724 1.22985 1.32567 0.0293273 -0.0206865 0.287554 74 THR E O +6469 C CB . THR E 80 ? 0.908145 1.01725 1.15996 0.0583189 0.00262245 0.326355 74 THR E CB +6470 O OG1 . THR E 80 ? 0.839301 0.957793 1.11813 0.0804038 0.0254882 0.333021 74 THR E OG1 +6471 C CG2 . THR E 80 ? 0.900276 1.0138 1.16587 0.0430084 -0.0154097 0.341963 74 THR E CG2 +6472 N N . ILE E 81 ? 0.984292 1.03987 1.13904 0.0320602 -0.0198989 0.271288 75 ILE E N +6473 C CA . ILE E 81 ? 0.906743 0.947885 1.03326 0.0104146 -0.037785 0.264671 75 ILE E CA +6474 C C . ILE E 81 ? 0.933975 0.983962 1.0787 -0.00598908 -0.05498 0.287047 75 ILE E C +6475 O O . ILE E 81 ? 1.03117 1.08141 1.18506 -0.00302444 -0.0545891 0.289495 75 ILE E O +6476 C CB . ILE E 81 ? 0.882411 0.900657 0.973447 0.0129823 -0.0331219 0.236258 75 ILE E CB +6477 C CG1 . ILE E 81 ? 0.87453 0.887881 0.952853 0.0304331 -0.0161448 0.217557 75 ILE E CG1 +6478 C CG2 . ILE E 81 ? 0.892001 0.892139 0.951379 -0.00848338 -0.0480801 0.22788 75 ILE E CG2 +6479 C CD1 . ILE E 81 ? 0.846758 0.840843 0.895221 0.0340045 -0.011252 0.191913 75 ILE E CD1 +6480 N N . SER E 82 ? 1.0014 1.05876 1.15156 -0.0241482 -0.0706597 0.30446 76 SER E N +6481 C CA . SER E 82 ? 1.0642 1.13488 1.23655 -0.0412949 -0.0889259 0.331349 76 SER E CA +6482 C C . SER E 82 ? 1.18322 1.23609 1.32801 -0.0583039 -0.102274 0.323447 76 SER E C +6483 O O . SER E 82 ? 1.23511 1.29754 1.39962 -0.0630926 -0.110448 0.34003 76 SER E O +6484 C CB . SER E 82 ? 1.0672 1.14678 1.24582 -0.0588885 -0.103365 0.349329 76 SER E CB +6485 O OG . SER E 82 ? 1.20656 1.30456 1.41408 -0.0424962 -0.0902814 0.358846 76 SER E OG +6486 N N . SER E 83 ? 1.15865 1.18561 1.2587 -0.0677293 -0.103989 0.299407 77 SER E N +6487 C CA . SER E 83 ? 1.20411 1.21051 1.27193 -0.0857073 -0.115437 0.290096 77 SER E CA +6488 C C . SER E 83 ? 1.22277 1.20615 1.25741 -0.0748335 -0.101074 0.257781 77 SER E C +6489 O O . SER E 83 ? 1.19733 1.16459 1.20485 -0.0789138 -0.0983168 0.242393 77 SER E O +6490 C CB . SER E 83 ? 1.29132 1.28797 1.33751 -0.115252 -0.135343 0.298919 77 SER E CB +6491 O OG . SER E 83 ? 1.38786 1.36773 1.40678 -0.136362 -0.1491 0.297208 77 SER E OG +6492 N N . LEU E 84 ? 1.20646 1.18935 1.2464 -0.0600704 -0.091117 0.24874 78 LEU E N +6493 C CA . LEU E 84 ? 1.12832 1.09347 1.14281 -0.0479642 -0.0770945 0.220326 78 LEU E CA +6494 C C . LEU E 84 ? 1.10927 1.0482 1.08231 -0.0660604 -0.0840345 0.204777 78 LEU E C +6495 O O . LEU E 84 ? 1.13224 1.06378 1.09463 -0.0824043 -0.0957981 0.210241 78 LEU E O +6496 C CB . LEU E 84 ? 1.06857 1.03734 1.09673 -0.031106 -0.0665402 0.215169 78 LEU E CB +6497 C CG . LEU E 84 ? 0.968839 0.924269 0.977775 -0.0159002 -0.0511633 0.188437 78 LEU E CG +6498 C CD1 . LEU E 84 ? 0.98883 0.950019 1.00189 -0.00026267 -0.0382774 0.181504 78 LEU E CD1 +6499 C CD2 . LEU E 84 ? 1.07468 1.03215 1.09692 -0.00372677 -0.0437121 0.186401 78 LEU E CD2 +6500 N N . GLN E 85 ? 1.08275 1.00712 1.03273 -0.0625131 -0.0754133 0.185706 79 GLN E N +6501 C CA . GLN E 85 ? 1.14463 1.04213 1.05628 -0.0771991 -0.0775997 0.169931 79 GLN E CA +6502 C C . GLN E 85 ? 1.12935 1.01561 1.02786 -0.064117 -0.0645855 0.147806 79 GLN E C +6503 O O . GLN E 85 ? 1.16444 1.06227 1.0795 -0.0440827 -0.0536683 0.142675 79 GLN E O +6504 C CB . GLN E 85 ? 1.24026 1.12835 1.13779 -0.0831803 -0.0764677 0.166098 79 GLN E CB +6505 C CG . GLN E 85 ? 1.25432 1.15152 1.16216 -0.0988615 -0.0904533 0.187674 79 GLN E CG +6506 C CD . GLN E 85 ? 1.20383 1.08928 1.09359 -0.124814 -0.107128 0.196663 79 GLN E CD +6507 O OE1 . GLN E 85 ? 1.36654 1.22406 1.21895 -0.140618 -0.108491 0.184017 79 GLN E OE1 +6508 N NE2 . GLN E 85 ? 1.05771 0.963568 0.973549 -0.129162 -0.118862 0.218793 79 GLN E NE2 +6509 N N . ALA E 86 ? 1.13124 0.994091 0.998909 -0.076498 -0.0655092 0.135187 80 ALA E N +6510 C CA . ALA E 86 ? 1.16529 1.01677 1.02026 -0.0661738 -0.0536378 0.115033 80 ALA E CA +6511 C C . ALA E 86 ? 1.09038 0.945258 0.949672 -0.049482 -0.0409976 0.104008 80 ALA E C +6512 O O . ALA E 86 ? 1.03654 0.897801 0.90426 -0.0332293 -0.031939 0.0948115 80 ALA E O +6513 C CB . ALA E 86 ? 1.24686 1.07127 1.06754 -0.0834114 -0.0550487 0.104893 80 ALA E CB +6514 N N . GLU E 87 ? 1.11264 0.962998 0.96572 -0.0550952 -0.0415472 0.106301 81 GLU E N +6515 C CA . GLU E 87 ? 1.06404 0.917233 0.92062 -0.0421253 -0.0313067 0.0989132 81 GLU E CA +6516 C C . GLU E 87 ? 0.941398 0.819303 0.825508 -0.0239433 -0.0272371 0.10556 81 GLU E C +6517 O O . GLU E 87 ? 0.946234 0.828796 0.834014 -0.0138036 -0.0200004 0.101895 81 GLU E O +6518 C CB . GLU E 87 ? 1.09405 0.936113 0.939032 -0.0537705 -0.0335856 0.102253 81 GLU E CB +6519 C CG . GLU E 87 ? 1.23321 1.078 1.08039 -0.0712314 -0.047784 0.119879 81 GLU E CG +6520 C CD . GLU E 87 ? 1.62438 1.44631 1.4437 -0.0955272 -0.0573776 0.120114 81 GLU E CD +6521 O OE1 . GLU E 87 ? 1.5243 1.3453 1.3406 -0.113555 -0.0704517 0.134487 81 GLU E OE1 +6522 O OE2 . GLU E 87 ? 1.75086 1.55492 1.54965 -0.098357 -0.0524085 0.106639 81 GLU E OE2 +6523 N N . ASP E 88 ? 0.967747 0.860604 0.871071 -0.019854 -0.0308502 0.116075 82 ASP E N +6524 C CA . ASP E 88 ? 1.05461 0.968257 0.982887 -0.00376193 -0.0250898 0.123817 82 ASP E CA +6525 C C . ASP E 88 ? 1.05823 0.975497 0.991588 0.0116911 -0.0159185 0.113988 82 ASP E C +6526 O O . ASP E 88 ? 0.990129 0.920524 0.939263 0.0255529 -0.0084872 0.117425 82 ASP E O +6527 C CB . ASP E 88 ? 1.00059 0.930262 0.952642 -0.00806446 -0.0329076 0.145817 82 ASP E CB +6528 C CG . ASP E 88 ? 1.11118 1.04106 1.06227 -0.0227715 -0.0424522 0.158352 82 ASP E CG +6529 O OD1 . ASP E 88 ? 1.1999 1.12153 1.13768 -0.0234819 -0.0389103 0.15063 82 ASP E OD1 +6530 O OD2 . ASP E 88 ? 1.11723 1.05517 1.08123 -0.0342546 -0.0538536 0.176523 82 ASP E OD2 +6531 N N . VAL E 89 ? 1.04968 0.953749 0.967979 0.00850493 -0.0157948 0.101609 83 VAL E N +6532 C CA . VAL E 89 ? 1.00588 0.910626 0.926047 0.020894 -0.00802963 0.0910954 83 VAL E CA +6533 C C . VAL E 89 ? 1.03541 0.942131 0.9506 0.032841 0.00119682 0.0801022 83 VAL E C +6534 O O . VAL E 89 ? 1.05727 0.954702 0.957623 0.0301839 0.00250677 0.0698517 83 VAL E O +6535 C CB . VAL E 89 ? 1.07223 0.962241 0.977136 0.0129283 -0.0107598 0.0812777 83 VAL E CB +6536 C CG1 . VAL E 89 ? 1.15548 1.04434 1.06011 0.0242994 -0.00320198 0.0689551 83 VAL E CG1 +6537 C CG2 . VAL E 89 ? 1.16289 1.05175 1.07202 0.00046892 -0.0207673 0.0935722 83 VAL E CG2 +6538 N N . ALA E 90 ? 1.11769 1.0362 1.04568 0.0457994 0.00815594 0.0832608 84 ALA E N +6539 C CA . ALA E 90 ? 1.15741 1.07945 1.08028 0.0564141 0.0160747 0.0752876 84 ALA E CA +6540 C C . ALA E 90 ? 1.11781 1.04752 1.05044 0.0693336 0.0250178 0.0767629 84 ALA E C +6541 O O . ALA E 90 ? 1.16708 1.09993 1.11392 0.0709914 0.0259874 0.0851683 84 ALA E O +6542 C CB . ALA E 90 ? 1.28103 1.20806 1.20484 0.0542324 0.0148318 0.081983 84 ALA E CB +6543 N N . VAL E 91 ? 0.993981 0.925727 0.918577 0.0780911 0.0321594 0.069295 85 VAL E N +6544 C CA . VAL E 91 ? 1.01755 0.953459 0.946631 0.0896224 0.0427247 0.0701165 85 VAL E CA +6545 C C . VAL E 91 ? 0.990299 0.93817 0.929286 0.0939541 0.0465374 0.0820736 85 VAL E C +6546 O O . VAL E 91 ? 0.976909 0.927669 0.908326 0.0927689 0.0447297 0.0808235 85 VAL E O +6547 C CB . VAL E 91 ? 1.08247 1.01165 0.993012 0.095123 0.0483688 0.0548108 85 VAL E CB +6548 C CG1 . VAL E 91 ? 1.1642 1.09276 1.07488 0.105765 0.0611448 0.054629 85 VAL E CG1 +6549 C CG2 . VAL E 91 ? 1.07462 0.992885 0.975739 0.089769 0.0436316 0.0431794 85 VAL E CG2 +6550 N N . TYR E 92 ? 1.01841 0.973516 0.975977 0.0996981 0.0528616 0.0943996 86 TYR E N +6551 C CA . TYR E 92 ? 0.970966 0.938591 0.941051 0.104372 0.0577651 0.1075 86 TYR E CA +6552 C C . TYR E 92 ? 0.987495 0.954544 0.949957 0.116988 0.073002 0.10257 86 TYR E C +6553 O O . TYR E 92 ? 1.02459 0.983317 0.983529 0.123293 0.0820769 0.0960224 86 TYR E O +6554 C CB . TYR E 92 ? 0.924575 0.902164 0.92235 0.101292 0.0544072 0.126876 86 TYR E CB +6555 C CG . TYR E 92 ? 0.983228 0.958824 0.980777 0.0857656 0.0381569 0.130718 86 TYR E CG +6556 C CD1 . TYR E 92 ? 1.0123 0.97769 1.00332 0.0786127 0.0312918 0.124102 86 TYR E CD1 +6557 C CD2 . TYR E 92 ? 0.994696 0.976052 0.995174 0.0773918 0.0303381 0.139859 86 TYR E CD2 +6558 C CE1 . TYR E 92 ? 1.00883 0.969354 0.994852 0.0634842 0.0178604 0.126607 86 TYR E CE1 +6559 C CE2 . TYR E 92 ? 1.08348 1.05861 1.07853 0.0618104 0.01678 0.141879 86 TYR E CE2 +6560 C CZ . TYR E 92 ? 1.10767 1.07192 1.0943 0.0546857 0.0108203 0.135036 86 TYR E CZ +6561 O OH . TYR E 92 ? 1.15535 1.11058 1.13209 0.0382873 -0.00133823 0.136135 86 TYR E OH +6562 N N . TYR E 93 ? 0.945431 0.919495 0.903098 0.119816 0.0761061 0.10542 87 TYR E N +6563 C CA . TYR E 93 ? 0.946081 0.918948 0.892506 0.13009 0.0904486 0.10152 87 TYR E CA +6564 C C . TYR E 93 ? 0.97985 0.966368 0.94488 0.135533 0.0979642 0.118496 87 TYR E C +6565 O O . TYR E 93 ? 0.92565 0.922313 0.901334 0.129784 0.0892721 0.128726 87 TYR E O +6566 C CB . TYR E 93 ? 0.847716 0.816428 0.767536 0.128164 0.0874041 0.0888925 87 TYR E CB +6567 C CG . TYR E 93 ? 0.900025 0.85628 0.80157 0.123658 0.0816598 0.0725498 87 TYR E CG +6568 C CD1 . TYR E 93 ? 1.05699 1.01185 0.959007 0.114592 0.0684526 0.0691847 87 TYR E CD1 +6569 C CD2 . TYR E 93 ? 1.00452 0.94911 0.887427 0.127776 0.0900864 0.0605363 87 TYR E CD2 +6570 C CE1 . TYR E 93 ? 1.03748 0.982452 0.92542 0.110575 0.0636684 0.0556627 87 TYR E CE1 +6571 C CE2 . TYR E 93 ? 1.04931 0.983529 0.916717 0.122603 0.0838361 0.0466671 87 TYR E CE2 +6572 C CZ . TYR E 93 ? 1.03197 0.967778 0.903793 0.114453 0.0706015 0.0449515 87 TYR E CZ +6573 O OH . TYR E 93 ? 1.10573 1.03278 0.965005 0.109664 0.0651624 0.0327628 87 TYR E OH +6574 N N . CYS E 94 ? 1.05399 1.03923 1.0219 0.146431 0.115227 0.12118 88 CYS E N +6575 C CA . CYS E 94 ? 1.13554 1.13299 1.11781 0.153078 0.125508 0.135981 88 CYS E CA +6576 C C . CYS E 94 ? 1.1855 1.17839 1.13967 0.157337 0.13416 0.126823 88 CYS E C +6577 O O . CYS E 94 ? 1.35714 1.33609 1.28309 0.156879 0.135633 0.109973 88 CYS E O +6578 C CB . CYS E 94 ? 1.18873 1.18901 1.19731 0.16225 0.14004 0.148419 88 CYS E CB +6579 S SG . CYS E 94 ? 1.25096 1.23103 1.23947 0.174614 0.164003 0.134596 88 CYS E SG +6580 N N . GLN E 95 ? 1.11014 1.11493 1.07129 0.160407 0.139127 0.138646 89 GLN E N +6581 C CA . GLN E 95 ? 1.07266 1.07439 1.00627 0.162645 0.145101 0.13167 89 GLN E CA +6582 C C . GLN E 95 ? 1.05017 1.06328 0.996954 0.170106 0.158698 0.147227 89 GLN E C +6583 O O . GLN E 95 ? 1.01479 1.04338 0.989001 0.168083 0.153064 0.163686 89 GLN E O +6584 C CB . GLN E 95 ? 1.1009 1.10633 1.02257 0.153264 0.12767 0.127321 89 GLN E CB +6585 C CG . GLN E 95 ? 1.21177 1.21549 1.10526 0.154157 0.131124 0.121513 89 GLN E CG +6586 C CD . GLN E 95 ? 1.33239 1.34943 1.23254 0.15038 0.122531 0.131886 89 GLN E CD +6587 O OE1 . GLN E 95 ? 1.45945 1.48498 1.38304 0.145928 0.113229 0.141825 89 GLN E OE1 +6588 N NE2 . GLN E 95 ? 1.34463 1.36266 1.22332 0.151078 0.125156 0.130209 89 GLN E NE2 +6589 N N . GLN E 96 ? 1.12142 1.12594 1.04633 0.177553 0.176413 0.141936 90 GLN E N +6590 C CA . GLN E 96 ? 1.1766 1.19098 1.10793 0.184048 0.18981 0.155291 90 GLN E CA +6591 C C . GLN E 96 ? 1.22969 1.24897 1.13941 0.178424 0.180751 0.153356 90 GLN E C +6592 O O . GLN E 96 ? 1.31001 1.31884 1.18765 0.173416 0.174329 0.138333 90 GLN E O +6593 C CB . GLN E 96 ? 1.28628 1.28718 1.20505 0.195103 0.216366 0.151925 90 GLN E CB +6594 C CG . GLN E 96 ? 1.29494 1.27541 1.16445 0.193333 0.22235 0.132131 90 GLN E CG +6595 C CD . GLN E 96 ? 1.34272 1.32644 1.19093 0.194195 0.229889 0.135737 90 GLN E CD +6596 O OE1 . GLN E 96 ? 1.31616 1.31459 1.18652 0.19951 0.237845 0.152771 90 GLN E OE1 +6597 N NE2 . GLN E 96 ? 1.40212 1.37231 1.20706 0.188314 0.227351 0.120683 90 GLN E NE2 +6598 N N . ASN E 97 ? 1.15137 1.18758 1.08121 0.178735 0.179484 0.170262 91 ASN E N +6599 C CA . ASN E 97 ? 1.06338 1.10563 0.977116 0.17506 0.173843 0.172128 91 ASN E CA +6600 C C . ASN E 97 ? 1.09682 1.14891 1.01996 0.182643 0.190577 0.187557 91 ASN E C +6601 O O . ASN E 97 ? 1.17996 1.2445 1.10972 0.180053 0.185112 0.198473 91 ASN E O +6602 C CB . ASN E 97 ? 1.04993 1.10072 0.976021 0.165226 0.151678 0.175286 91 ASN E CB +6603 C CG . ASN E 97 ? 1.20665 1.27031 1.17127 0.162936 0.145857 0.191748 91 ASN E CG +6604 O OD1 . ASN E 97 ? 1.45093 1.51884 1.43812 0.168213 0.155482 0.2011 91 ASN E OD1 +6605 N ND2 . ASN E 97 ? 1.30194 1.37124 1.27524 0.154208 0.129803 0.196253 91 ASN E ND2 +6606 N N . LEU E 98 ? 1.08912 1.13406 1.01173 0.192376 0.212638 0.18818 92 LEU E N +6607 C CA . LEU E 98 ? 1.09712 1.14863 1.02553 0.200802 0.232664 0.201533 92 LEU E CA +6608 C C . LEU E 98 ? 1.08868 1.13002 0.972868 0.200301 0.240494 0.192288 92 LEU E C +6609 O O . LEU E 98 ? 1.13124 1.18338 1.0156 0.200951 0.243814 0.203701 92 LEU E O +6610 C CB . LEU E 98 ? 1.153 1.19793 1.09745 0.211886 0.255326 0.20504 92 LEU E CB +6611 C CG . LEU E 98 ? 1.24262 1.29406 1.19963 0.222675 0.28045 0.220756 92 LEU E CG +6612 C CD1 . LEU E 98 ? 1.2417 1.31854 1.25345 0.224755 0.277563 0.24666 92 LEU E CD1 +6613 C CD2 . LEU E 98 ? 1.33711 1.36744 1.27987 0.233384 0.308296 0.212139 92 LEU E CD2 +6614 N N . ARG E 99 ? 1.09455 1.11465 0.940274 0.198496 0.243924 0.172533 93 ARG E N +6615 C CA . ARG E 99 ? 1.14644 1.15448 0.945723 0.196185 0.251534 0.163607 93 ARG E CA +6616 C C . ARG E 99 ? 1.10364 1.09662 0.868165 0.186552 0.236784 0.143573 93 ARG E C +6617 O O . ARG E 99 ? 0.981193 0.967619 0.754346 0.18508 0.22954 0.134602 93 ARG E O +6618 C CB . ARG E 99 ? 1.2153 1.20931 0.997858 0.205929 0.282981 0.163905 93 ARG E CB +6619 C CG . ARG E 99 ? 1.32802 1.29253 1.07758 0.207963 0.299172 0.14493 93 ARG E CG +6620 C CD . ARG E 99 ? 1.4949 1.44029 1.20319 0.211452 0.325634 0.140407 93 ARG E CD +6621 N NE . ARG E 99 ? 1.72151 1.66385 1.4527 0.22592 0.356307 0.150968 93 ARG E NE +6622 C CZ . ARG E 99 ? 1.93272 1.85726 1.67102 0.234215 0.375262 0.144725 93 ARG E CZ +6623 N NH1 . ARG E 99 ? 2.03794 1.94071 1.74987 0.228472 0.369512 0.124737 93 ARG E NH1 +6624 N NH2 . ARG E 99 ? 1.95526 1.88365 1.72796 0.248205 0.400365 0.159246 93 ARG E NH2 +6625 N N . PRO E 100 ? 1.16985 1.15832 0.895689 0.178846 0.230536 0.137435 94 PRO E N +6626 C CA . PRO E 100 ? 1.19903 1.175 0.893684 0.168697 0.215729 0.12048 94 PRO E CA +6627 C C . PRO E 100 ? 1.15279 1.10066 0.810989 0.169497 0.233278 0.103859 94 PRO E C +6628 O O . PRO E 100 ? 1.17476 1.11172 0.81625 0.175488 0.256609 0.105106 94 PRO E O +6629 C CB . PRO E 100 ? 1.28276 1.2677 0.954707 0.160188 0.20294 0.124958 94 PRO E CB +6630 C CG . PRO E 100 ? 1.32224 1.31113 0.990148 0.166601 0.221905 0.137236 94 PRO E CG +6631 C CD . PRO E 100 ? 1.28271 1.2802 0.995458 0.178254 0.234781 0.148425 94 PRO E CD +6632 N N . PRO E 101 ? 1.1891 1.1229 0.831872 0.162973 0.223596 0.0878165 95 PRO E N +6633 C CA . PRO E 101 ? 1.2548 1.20028 0.914339 0.155451 0.197152 0.0859244 95 PRO E CA +6634 C C . PRO E 101 ? 1.19134 1.14645 0.897444 0.161478 0.193525 0.091454 95 PRO E C +6635 O O . PRO E 101 ? 1.41614 1.36162 1.13337 0.169285 0.209396 0.0898701 95 PRO E O +6636 C CB . PRO E 101 ? 1.31927 1.24321 0.939908 0.146153 0.192346 0.0667348 95 PRO E CB +6637 C CG . PRO E 101 ? 1.34246 1.24068 0.942419 0.152521 0.218879 0.0572381 95 PRO E CG +6638 C CD . PRO E 101 ? 1.2725 1.17625 0.877817 0.161778 0.238777 0.0702984 95 PRO E CD +6639 N N . GLU E 102 ? 1.09861 1.07184 0.831713 0.157675 0.173728 0.0989692 96 GLU E N +6640 C CA . GLU E 102 ? 1.14656 1.12777 0.919818 0.160996 0.169028 0.104645 96 GLU E CA +6641 C C . GLU E 102 ? 1.28191 1.24714 1.04775 0.158756 0.166918 0.0893952 96 GLU E C +6642 O O . GLU E 102 ? 1.50612 1.46272 1.24615 0.150925 0.156997 0.0769878 96 GLU E O +6643 C CB . GLU E 102 ? 1.16982 1.16916 0.966828 0.155762 0.149408 0.114145 96 GLU E CB +6644 C CG . GLU E 102 ? 1.11521 1.13102 0.928664 0.158601 0.151808 0.13158 96 GLU E CG +6645 C CD . GLU E 102 ? 1.01216 1.04148 0.842297 0.152526 0.13375 0.139392 96 GLU E CD +6646 O OE1 . GLU E 102 ? 1.04922 1.08155 0.860597 0.148981 0.128691 0.139878 96 GLU E OE1 +6647 O OE2 . GLU E 102 ? 0.964275 1.00015 0.823552 0.150834 0.125618 0.145715 96 GLU E OE2 +6648 N N . THR E 103 ? 1.32126 1.28308 1.11073 0.165153 0.175823 0.0914036 97 THR E N +6649 C CA . THR E 103 ? 1.34251 1.28766 1.12442 0.163716 0.175998 0.077418 97 THR E CA +6650 C C . THR E 103 ? 1.27872 1.23208 1.09759 0.163864 0.166721 0.0833168 97 THR E C +6651 O O . THR E 103 ? 1.2966 1.26413 1.1476 0.168106 0.16854 0.0989377 97 THR E O +6652 C CB . THR E 103 ? 1.42288 1.34797 1.18733 0.171318 0.200575 0.0710503 97 THR E CB +6653 O OG1 . THR E 103 ? 1.39465 1.32819 1.18463 0.182 0.217668 0.0865536 97 THR E OG1 +6654 C CG2 . THR E 103 ? 1.45261 1.3621 1.16853 0.16658 0.20651 0.0593091 97 THR E CG2 +6655 N N . PHE E 104 ? 1.22643 1.17023 1.03927 0.158297 0.15685 0.0712081 98 PHE E N +6656 C CA . PHE E 104 ? 1.24557 1.19477 1.08777 0.156466 0.146903 0.0752564 98 PHE E CA +6657 C C . PHE E 104 ? 1.32138 1.25598 1.16811 0.161094 0.157696 0.0696171 98 PHE E C +6658 O O . PHE E 104 ? 1.65063 1.56681 1.47112 0.162941 0.169083 0.0571698 98 PHE E O +6659 C CB . PHE E 104 ? 1.2386 1.1886 1.07359 0.146227 0.126878 0.0668353 98 PHE E CB +6660 C CG . PHE E 104 ? 1.12467 1.09001 0.966204 0.141542 0.114346 0.0750076 98 PHE E CG +6661 C CD1 . PHE E 104 ? 0.979067 0.955917 0.848839 0.139438 0.106264 0.0866248 98 PHE E CD1 +6662 C CD2 . PHE E 104 ? 1.15924 1.12601 0.977715 0.138433 0.110773 0.0714113 98 PHE E CD2 +6663 C CE1 . PHE E 104 ? 1.06253 1.05002 0.93714 0.135219 0.0967102 0.093459 98 PHE E CE1 +6664 C CE2 . PHE E 104 ? 1.20357 1.18363 1.03033 0.135096 0.100778 0.0799618 98 PHE E CE2 +6665 C CZ . PHE E 104 ? 1.19114 1.18044 1.04581 0.1339 0.0946233 0.0903548 98 PHE E CZ +6666 N N . GLY E 105 ? 1.31468 1.25646 1.1936 0.161736 0.153256 0.0789758 99 GLY E N +6667 C CA . GLY E 105 ? 1.33504 1.26456 1.22155 0.164167 0.158618 0.0743199 99 GLY E CA +6668 C C . GLY E 105 ? 1.32353 1.24256 1.19214 0.155173 0.144857 0.0585479 99 GLY E C +6669 O O . GLY E 105 ? 1.26291 1.1871 1.12005 0.147094 0.12993 0.0538368 99 GLY E O +6670 N N . GLN E 106 ? 1.31229 1.21629 1.1803 0.157056 0.151072 0.0512149 100 GLN E N +6671 C CA . GLN E 106 ? 1.30472 1.19687 1.15451 0.149038 0.140547 0.0358026 100 GLN E CA +6672 C C . GLN E 106 ? 1.28429 1.18809 1.15267 0.14106 0.121393 0.0404919 100 GLN E C +6673 O O . GLN E 106 ? 1.28828 1.18755 1.143 0.133148 0.109735 0.0298145 100 GLN E O +6674 C CB . GLN E 106 ? 1.20317 1.07403 1.04622 0.153363 0.154132 0.0267969 100 GLN E CB +6675 C CG . GLN E 106 ? 1.20487 1.07828 1.08125 0.15679 0.155142 0.0369163 100 GLN E CG +6676 C CD . GLN E 106 ? 1.18369 1.0635 1.08771 0.168255 0.171725 0.0535674 100 GLN E CD +6677 O OE1 . GLN E 106 ? 1.10498 0.988782 1.00496 0.174054 0.182851 0.0583882 100 GLN E OE1 +6678 N NE2 . GLN E 106 ? 1.1451 1.0271 1.07919 0.171195 0.172964 0.0639055 100 GLN E NE2 +6679 N N . GLY E 107 ? 1.26178 1.17973 1.16046 0.142399 0.118632 0.0568967 101 GLY E N +6680 C CA . GLY E 107 ? 1.30528 1.23156 1.2187 0.133571 0.101771 0.0619791 101 GLY E CA +6681 C C . GLY E 107 ? 1.22041 1.14338 1.15387 0.133343 0.101343 0.0672719 101 GLY E C +6682 O O . GLY E 107 ? 1.14534 1.05514 1.07475 0.138022 0.110974 0.0604828 101 GLY E O +6683 N N . THR E 108 ? 1.19942 1.13337 1.15322 0.126752 0.0896248 0.0797498 102 THR E N +6684 C CA . THR E 108 ? 1.23131 1.16498 1.20537 0.124249 0.0860011 0.0879931 102 THR E CA +6685 C C . THR E 108 ? 1.27858 1.21175 1.24699 0.110908 0.0683869 0.0849233 102 THR E C +6686 O O . THR E 108 ? 1.41702 1.35856 1.38663 0.104109 0.0592536 0.0909204 102 THR E O +6687 C CB . THR E 108 ? 1.16104 1.1096 1.16739 0.128073 0.0895204 0.110449 102 THR E CB +6688 O OG1 . THR E 108 ? 1.06248 1.00797 1.07557 0.141735 0.10937 0.11271 102 THR E OG1 +6689 C CG2 . THR E 108 ? 1.11428 1.06745 1.14367 0.121378 0.0798206 0.123596 102 THR E CG2 +6690 N N . LYS E 109 ? 1.24671 1.16886 1.20895 0.107045 0.0648333 0.0761519 103 LYS E N +6691 C CA . LYS E 109 ? 1.20554 1.12495 1.16061 0.0945419 0.0504198 0.0726182 103 LYS E CA +6692 C C . LYS E 109 ? 1.17404 1.10013 1.1506 0.0877256 0.0424291 0.0896154 103 LYS E C +6693 O O . LYS E 109 ? 1.1709 1.0962 1.16318 0.0915353 0.0465416 0.0964225 103 LYS E O +6694 C CB . LYS E 109 ? 1.21748 1.12304 1.15579 0.0916908 0.048866 0.0564204 103 LYS E CB +6695 C CG . LYS E 109 ? 1.41422 1.31269 1.33089 0.0962272 0.054734 0.0402618 103 LYS E CG +6696 C CD . LYS E 109 ? 1.57398 1.45891 1.47764 0.0942034 0.0546877 0.0260985 103 LYS E CD +6697 C CE . LYS E 109 ? 1.57494 1.44946 1.48386 0.100419 0.064472 0.0246124 103 LYS E CE +6698 N NZ . LYS E 109 ? 1.49902 1.36767 1.39996 0.110115 0.0786186 0.0201981 103 LYS E NZ +6699 N N . VAL E 110 ? 1.22049 1.15213 1.19694 0.0768716 0.0309573 0.096858 104 VAL E N +6700 C CA . VAL E 110 ? 1.07357 1.01038 1.06505 0.0663208 0.0201818 0.112892 104 VAL E CA +6701 C C . VAL E 110 ? 1.09305 1.01775 1.0663 0.0533325 0.00996742 0.103952 104 VAL E C +6702 O O . VAL E 110 ? 1.15319 1.07066 1.10626 0.0492738 0.00824015 0.091723 104 VAL E O +6703 C CB . VAL E 110 ? 0.976268 0.925698 0.979318 0.0609682 0.0143168 0.128874 104 VAL E CB +6704 C CG1 . VAL E 110 ? 0.909685 0.863524 0.924766 0.0465848 0.0004443 0.145852 104 VAL E CG1 +6705 C CG2 . VAL E 110 ? 0.99985 0.96202 1.0233 0.0744525 0.0260171 0.139173 104 VAL E CG2 +6706 N N . GLU E 111 ? 1.12907 1.05169 1.11079 0.0474521 0.00439295 0.111094 105 GLU E N +6707 C CA . GLU E 111 ? 1.13664 1.04755 1.10192 0.0341387 -0.0049049 0.105121 105 GLU E CA +6708 C C . GLU E 111 ? 1.11982 1.03538 1.09478 0.0196383 -0.0180833 0.123915 105 GLU E C +6709 O O . GLU E 111 ? 1.10024 1.02961 1.10085 0.0214052 -0.0200257 0.143124 105 GLU E O +6710 C CB . GLU E 111 ? 1.27628 1.17772 1.23777 0.0393608 0.00037718 0.0938709 105 GLU E CB +6711 C CG . GLU E 111 ? 1.51424 1.41029 1.46377 0.0508082 0.0112389 0.0758476 105 GLU E CG +6712 C CD . GLU E 111 ? 1.86011 1.75396 1.8192 0.0635451 0.0223438 0.0726798 105 GLU E CD +6713 O OE1 . GLU E 111 ? 1.97303 1.85724 1.91714 0.0672236 0.0273533 0.056361 105 GLU E OE1 +6714 O OE2 . GLU E 111 ? 1.73147 1.63256 1.71309 0.0695478 0.0265942 0.0868416 105 GLU E OE2 +6715 N N . ILE E 112 ? 1.03219 0.935631 0.985768 0.00421918 -0.0271602 0.11901 106 ILE E N +6716 C CA . ILE E 112 ? 1.1852 1.08904 1.14097 -0.0123984 -0.0408447 0.134671 106 ILE E CA +6717 C C . ILE E 112 ? 1.06366 0.966714 1.03008 -0.0107516 -0.0413469 0.138466 106 ILE E C +6718 O O . ILE E 112 ? 1.15268 1.04438 1.10638 -0.00684017 -0.035528 0.122695 106 ILE E O +6719 C CB . ILE E 112 ? 1.24176 1.12923 1.16587 -0.0302145 -0.0482639 0.12681 106 ILE E CB +6720 C CG1 . ILE E 112 ? 1.26391 1.15285 1.1823 -0.0329974 -0.0487722 0.127701 106 ILE E CG1 +6721 C CG2 . ILE E 112 ? 1.30193 1.18428 1.21881 -0.0500809 -0.0624839 0.13925 106 ILE E CG2 +6722 C CD1 . ILE E 112 ? 1.36134 1.2659 1.30025 -0.0394811 -0.058453 0.150807 106 ILE E CD1 +6723 N N . LYS E 113 ? 0.983039 0.898872 0.974768 -0.0140449 -0.048564 0.160817 107 LYS E N +6724 C CA . LYS E 113 ? 1.1151 1.03009 1.1172 -0.0164656 -0.0521212 0.168545 107 LYS E CA +6725 C C . LYS E 113 ? 1.13822 1.04395 1.11845 -0.0396087 -0.0678585 0.173262 107 LYS E C +6726 O O . LYS E 113 ? 1.17007 1.08079 1.14832 -0.0543472 -0.0801893 0.187363 107 LYS E O +6727 C CB . LYS E 113 ? 1.23689 1.17136 1.2798 -0.00895601 -0.0520289 0.193122 107 LYS E CB +6728 C CG . LYS E 113 ? 1.29472 1.23076 1.35808 -0.00567374 -0.0516035 0.203293 107 LYS E CG +6729 C CD . LYS E 113 ? 1.38622 1.33915 1.49298 0.00991797 -0.042684 0.222433 107 LYS E CD +6730 C CE . LYS E 113 ? 1.60338 1.55372 1.72966 0.0174995 -0.0369925 0.227863 107 LYS E CE +6731 N NZ . LYS E 113 ? 1.67126 1.6255 1.82675 0.0396609 -0.0174471 0.23056 107 LYS E NZ +6732 N N . ARG E 114 ? 1.00305 0.894341 0.965296 -0.0438222 -0.0673356 0.161646 108 ARG E N +6733 C CA . ARG E 114 ? 0.982138 0.86187 0.919571 -0.0660918 -0.0804059 0.164897 108 ARG E CA +6734 C C . ARG E 114 ? 1.02796 0.904386 0.970066 -0.0686473 -0.0830685 0.169275 108 ARG E C +6735 O O . ARG E 114 ? 1.21393 1.09641 1.17961 -0.0527778 -0.0744249 0.169576 108 ARG E O +6736 C CB . ARG E 114 ? 0.975777 0.835683 0.875456 -0.0724241 -0.0759135 0.142704 108 ARG E CB +6737 C CG . ARG E 114 ? 0.965628 0.81618 0.857481 -0.0582424 -0.0614303 0.119981 108 ARG E CG +6738 C CD . ARG E 114 ? 1.02099 0.850315 0.877231 -0.0700761 -0.0598743 0.104187 108 ARG E CD +6739 N NE . ARG E 114 ? 1.01405 0.834194 0.858483 -0.0842163 -0.0672227 0.109266 108 ARG E NE +6740 C CZ . ARG E 114 ? 1.104 0.904595 0.916081 -0.0997539 -0.0683649 0.101528 108 ARG E CZ +6741 N NH1 . ARG E 114 ? 0.992844 0.778977 0.780669 -0.103535 -0.0617852 0.0878651 108 ARG E NH1 +6742 N NH2 . ARG E 114 ? 1.41477 1.20891 1.21838 -0.111567 -0.0749255 0.107742 108 ARG E NH2 +6743 N N . THR E 115 ? 1.061 0.925943 0.978858 -0.0892822 -0.094418 0.172531 109 THR E N +6744 C CA . THR E 115 ? 1.07837 0.939033 0.998017 -0.0926923 -0.0969573 0.176194 109 THR E CA +6745 C C . THR E 115 ? 1.0009 0.848658 0.909873 -0.080111 -0.0822044 0.152112 109 THR E C +6746 O O . THR E 115 ? 0.994058 0.832474 0.884849 -0.0751417 -0.0729907 0.132419 109 THR E O +6747 C CB . THR E 115 ? 1.11818 0.968708 1.01132 -0.119084 -0.112593 0.185832 109 THR E CB +6748 O OG1 . THR E 115 ? 1.06403 0.897197 0.919548 -0.130069 -0.11118 0.170336 109 THR E OG1 +6749 C CG2 . THR E 115 ? 1.13168 1.0002 1.04838 -0.130465 -0.129785 0.217028 109 THR E CG2 +6750 N N . VAL E 116 ? 1.03336 0.881191 0.955508 -0.075707 -0.0806869 0.15547 110 VAL E N +6751 C CA . VAL E 116 ? 1.07809 0.914779 0.993151 -0.0650312 -0.0682402 0.135129 110 VAL E CA +6752 C C . VAL E 116 ? 1.07036 0.888309 0.94774 -0.0787599 -0.0684341 0.120352 110 VAL E C +6753 O O . VAL E 116 ? 1.06806 0.879069 0.927937 -0.0973189 -0.0787001 0.129051 110 VAL E O +6754 C CB . VAL E 116 ? 1.08608 0.926559 1.02565 -0.0586843 -0.0674375 0.144953 110 VAL E CB +6755 C CG1 . VAL E 116 ? 1.21264 1.04069 1.14461 -0.0498523 -0.0560119 0.124975 110 VAL E CG1 +6756 C CG2 . VAL E 116 ? 1.04332 0.900269 1.02171 -0.0438318 -0.0639342 0.159956 110 VAL E CG2 +6757 N N . ALA E 117 ? 1.10703 0.916662 0.972336 -0.069663 -0.0564087 0.0986902 111 ALA E N +6758 C CA . ALA E 117 ? 1.15862 0.950794 0.994232 -0.0785325 -0.0523031 0.0838532 111 ALA E CA +6759 C C . ALA E 117 ? 1.10339 0.892032 0.945335 -0.0666623 -0.0420881 0.0699742 111 ALA E C +6760 O O . ALA E 117 ? 0.979129 0.773704 0.834509 -0.0510061 -0.0340359 0.0608583 111 ALA E O +6761 C CB . ALA E 117 ? 1.20669 0.992078 1.02271 -0.0803464 -0.047412 0.0723837 111 ALA E CB +6762 N N . ALA E 118 ? 1.10628 0.884192 0.935989 -0.0756727 -0.0426843 0.0682876 112 ALA E N +6763 C CA . ALA E 118 ? 1.09681 0.869995 0.930134 -0.0673192 -0.0338264 0.0553311 112 ALA E CA +6764 C C . ALA E 118 ? 1.05416 0.819164 0.870276 -0.065777 -0.0242162 0.0377019 112 ALA E C +6765 O O . ALA E 118 ? 1.33792 1.09337 1.13152 -0.0764282 -0.0236421 0.035427 112 ALA E O +6766 C CB . ALA E 118 ? 1.15945 0.924964 0.987397 -0.0777493 -0.0377759 0.0614327 112 ALA E CB +6767 N N . PRO E 119 ? 0.945932 0.713643 0.772253 -0.0529865 -0.0160381 0.0253305 113 PRO E N +6768 C CA . PRO E 119 ? 0.996657 0.759557 0.811837 -0.0509142 -0.00732599 0.0113072 113 PRO E CA +6769 C C . PRO E 119 ? 1.10599 0.855987 0.905683 -0.0601141 -0.00241434 0.00581001 113 PRO E C +6770 O O . PRO E 119 ? 1.13133 0.876959 0.930953 -0.0658946 -0.00521982 0.0103378 113 PRO E O +6771 C CB . PRO E 119 ? 1.08854 0.860067 0.921416 -0.0361476 -0.00300151 0.00319385 113 PRO E CB +6772 C CG . PRO E 119 ? 1.06578 0.838006 0.912603 -0.0341715 -0.00644378 0.00915844 113 PRO E CG +6773 C CD . PRO E 119 ? 0.939418 0.714011 0.788044 -0.0408621 -0.0147427 0.0251935 113 PRO E CD +6774 N N . SER E 120 ? 1.19456 0.938231 0.982128 -0.0611812 0.00596879 -0.00307331 114 SER E N +6775 C CA . SER E 120 ? 1.18529 0.918591 0.963637 -0.0658296 0.0145285 -0.00992108 114 SER E CA +6776 C C . SER E 120 ? 1.20137 0.944157 0.998662 -0.0537339 0.0194754 -0.018353 114 SER E C +6777 O O . SER E 120 ? 1.43559 1.18547 1.23949 -0.0455086 0.0229371 -0.0232892 114 SER E O +6778 C CB . SER E 120 ? 1.22786 0.948076 0.985366 -0.072791 0.0231282 -0.0140723 114 SER E CB +6779 O OG . SER E 120 ? 1.33916 1.04585 1.07298 -0.0882764 0.018629 -0.00703784 114 SER E OG +6780 N N . VAL E 121 ? 1.12055 0.863133 0.925772 -0.0538489 0.0193046 -0.0193425 115 VAL E N +6781 C CA . VAL E 121 ? 1.16258 0.913226 0.983925 -0.0449796 0.0228112 -0.026944 115 VAL E CA +6782 C C . VAL E 121 ? 1.08445 0.829902 0.902399 -0.0482388 0.0330919 -0.0318194 115 VAL E C +6783 O O . VAL E 121 ? 0.970594 0.704218 0.775571 -0.0576583 0.0374203 -0.0298643 115 VAL E O +6784 C CB . VAL E 121 ? 1.22656 0.980025 1.06096 -0.0422035 0.0173165 -0.0259852 115 VAL E CB +6785 C CG1 . VAL E 121 ? 1.34465 1.10595 1.19315 -0.0344037 0.0187647 -0.0339166 115 VAL E CG1 +6786 C CG2 . VAL E 121 ? 1.16189 0.91872 1.00092 -0.0387898 0.00990855 -0.0191091 115 VAL E CG2 +6787 N N . PHE E 122 ? 1.09721 0.852047 0.927472 -0.0403766 0.0372757 -0.0370703 116 PHE E N +6788 C CA . PHE E 122 ? 1.06822 0.82295 0.904199 -0.0405149 0.0474628 -0.0400698 116 PHE E CA +6789 C C . PHE E 122 ? 1.0749 0.844144 0.932091 -0.0335808 0.0440708 -0.0430188 116 PHE E C +6790 O O . PHE E 122 ? 1.08364 0.862162 0.946916 -0.0272482 0.0369755 -0.0444852 116 PHE E O +6791 C CB . PHE E 122 ? 1.11986 0.871967 0.950436 -0.0386686 0.0566364 -0.0408803 116 PHE E CB +6792 C CG . PHE E 122 ? 1.18383 0.920503 0.990035 -0.0464144 0.0585048 -0.0386985 116 PHE E CG +6793 C CD1 . PHE E 122 ? 1.21358 0.93249 1.00127 -0.0565144 0.0675875 -0.0384381 116 PHE E CD1 +6794 C CD2 . PHE E 122 ? 1.21542 0.954526 1.01588 -0.044812 0.0511951 -0.03651 116 PHE E CD2 +6795 C CE1 . PHE E 122 ? 1.2863 0.989081 1.04777 -0.0661737 0.06817 -0.0365387 116 PHE E CE1 +6796 C CE2 . PHE E 122 ? 1.18077 0.905902 0.9587 -0.0539813 0.0512427 -0.0335657 116 PHE E CE2 +6797 C CZ . PHE E 122 ? 1.23166 0.938003 0.98876 -0.0653671 0.05916 -0.0338203 116 PHE E CZ +6798 N N . ILE E 123 ? 1.08118 0.851938 0.948785 -0.0358035 0.0489949 -0.0434176 117 ILE E N +6799 C CA . ILE E 123 ? 1.04167 0.826093 0.928616 -0.031876 0.0442957 -0.0451013 117 ILE E CA +6800 C C . ILE E 123 ? 0.896481 0.68803 0.797968 -0.0305971 0.0538195 -0.042861 117 ILE E C +6801 O O . ILE E 123 ? 1.03458 0.817757 0.933554 -0.0345493 0.0649205 -0.0408848 117 ILE E O +6802 C CB . ILE E 123 ? 1.27231 1.05432 1.1633 -0.0361135 0.0379695 -0.0460881 117 ILE E CB +6803 C CG1 . ILE E 123 ? 1.40473 1.19891 1.3121 -0.0342733 0.0314056 -0.0483356 117 ILE E CG1 +6804 C CG2 . ILE E 123 ? 1.30911 1.0816 1.19746 -0.0436205 0.0452769 -0.0433821 117 ILE E CG2 +6805 C CD1 . ILE E 123 ? 1.41806 1.20701 1.32739 -0.0387182 0.0248485 -0.0504405 117 ILE E CD1 +6806 N N . PHE E 124 ? 0.872109 0.678924 0.788792 -0.0251183 0.0499893 -0.0422338 118 PHE E N +6807 C CA . PHE E 124 ? 0.943353 0.760636 0.879842 -0.0228304 0.0580796 -0.0373723 118 PHE E CA +6808 C C . PHE E 124 ? 0.964429 0.796894 0.92147 -0.024617 0.0493847 -0.0352379 118 PHE E C +6809 O O . PHE E 124 ? 0.970162 0.811182 0.928221 -0.023658 0.0370242 -0.0373195 118 PHE E O +6810 C CB . PHE E 124 ? 1.0624 0.886623 1.00232 -0.0158002 0.0610087 -0.0352556 118 PHE E CB +6811 C CG . PHE E 124 ? 1.19312 1.00213 1.11246 -0.015027 0.0687852 -0.0371684 118 PHE E CG +6812 C CD1 . PHE E 124 ? 1.27998 1.07701 1.19572 -0.0162068 0.0851606 -0.0354534 118 PHE E CD1 +6813 C CD2 . PHE E 124 ? 1.30312 1.10891 1.20647 -0.0137465 0.060259 -0.0403082 118 PHE E CD2 +6814 C CE1 . PHE E 124 ? 1.37235 1.15321 1.26606 -0.0176428 0.0913557 -0.0376408 118 PHE E CE1 +6815 C CE2 . PHE E 124 ? 1.28527 1.07791 1.17031 -0.0147919 0.0655958 -0.0409198 118 PHE E CE2 +6816 C CZ . PHE E 124 ? 1.40598 1.1855 1.28477 -0.0175283 0.080418 -0.0399844 118 PHE E CZ +6817 N N . PRO E 125 ? 0.927986 0.763603 0.901284 -0.0282252 0.0558882 -0.0305887 119 PRO E N +6818 C CA . PRO E 125 ? 0.951879 0.803473 0.947517 -0.0315029 0.0473969 -0.0264427 119 PRO E CA +6819 C C . PRO E 125 ? 0.994044 0.865351 1.01119 -0.0269335 0.0458613 -0.0189923 119 PRO E C +6820 O O . PRO E 125 ? 1.05368 0.925219 1.0734 -0.0206251 0.056244 -0.0158624 119 PRO E O +6821 C CB . PRO E 125 ? 0.975351 0.823797 0.982514 -0.0360267 0.0576789 -0.0220483 119 PRO E CB +6822 C CG . PRO E 125 ? 1.05141 0.878604 1.03495 -0.036477 0.0694083 -0.026164 119 PRO E CG +6823 C CD . PRO E 125 ? 0.980415 0.803663 0.950415 -0.0302704 0.0720822 -0.0285732 119 PRO E CD +6824 N N . PRO E 126 ? 1.05021 0.937912 1.0826 -0.0307519 0.0324266 -0.015311 120 PRO E N +6825 C CA . PRO E 126 ? 1.08273 0.991337 1.13675 -0.0276279 0.0287866 -0.00586203 120 PRO E CA +6826 C C . PRO E 126 ? 1.04833 0.966478 1.13154 -0.0237091 0.0441687 0.00613301 120 PRO E C +6827 O O . PRO E 126 ? 1.11053 1.02754 1.20642 -0.0271799 0.0515771 0.00977148 120 PRO E O +6828 C CB . PRO E 126 ? 1.03694 0.958719 1.09903 -0.0362696 0.0105464 -0.00375822 120 PRO E CB +6829 C CG . PRO E 126 ? 1.12994 1.03891 1.18421 -0.0436601 0.00927555 -0.00970469 120 PRO E CG +6830 C CD . PRO E 126 ? 1.10837 0.994508 1.13722 -0.0394296 0.0195896 -0.0193086 120 PRO E CD +6831 N N . SER E 127 ? 0.99558 0.922762 1.09012 -0.016155 0.0496254 0.0127516 121 SER E N +6832 C CA . SER E 127 ? 1.11248 1.04847 1.23724 -0.0104707 0.0662021 0.0252847 121 SER E CA +6833 C C . SER E 127 ? 1.23778 1.19823 1.40034 -0.0151539 0.0598353 0.0397601 121 SER E C +6834 O O . SER E 127 ? 1.2519 1.22686 1.41751 -0.0220221 0.039392 0.0418097 121 SER E O +6835 C CB . SER E 127 ? 1.16028 1.10132 1.28886 -0.00183177 0.070136 0.0294467 121 SER E CB +6836 O OG . SER E 127 ? 1.07608 1.03664 1.21084 -0.00411714 0.0503146 0.0339147 121 SER E OG +6837 N N . ASP E 128 ? 1.24403 1.20867 1.4352 -0.0117425 0.0778968 0.0505688 122 ASP E N +6838 C CA . ASP E 128 ? 1.30651 1.2966 1.53957 -0.0156198 0.0737148 0.0674688 122 ASP E CA +6839 C C . ASP E 128 ? 1.23589 1.25309 1.49441 -0.0142957 0.060363 0.0814379 122 ASP E C +6840 O O . ASP E 128 ? 1.20857 1.24902 1.49157 -0.0223435 0.0442355 0.0932563 122 ASP E O +6841 C CB . ASP E 128 ? 1.32762 1.3154 1.58662 -0.0110284 0.0986495 0.0766507 122 ASP E CB +6842 C CG . ASP E 128 ? 1.40257 1.37488 1.64748 -0.0181265 0.103065 0.0687615 122 ASP E CG +6843 O OD1 . ASP E 128 ? 1.42373 1.37791 1.6303 -0.023268 0.0934673 0.0527309 122 ASP E OD1 +6844 O OD2 . ASP E 128 ? 1.3383 1.31887 1.61321 -0.0189325 0.114587 0.0801466 122 ASP E OD2 +6845 N N . GLU E 129 ? 1.22061 1.23415 1.47125 -0.00539289 0.06581 0.0802391 123 GLU E N +6846 C CA . GLU E 129 ? 1.19857 1.23636 1.47297 -0.00257375 0.0560036 0.0945963 123 GLU E CA +6847 C C . GLU E 129 ? 1.10906 1.15481 1.3624 -0.0125406 0.0276794 0.089235 123 GLU E C +6848 O O . GLU E 129 ? 0.980555 1.05171 1.2563 -0.018152 0.0112305 0.103416 123 GLU E O +6849 C CB . GLU E 129 ? 1.22546 1.25128 1.49268 0.009904 0.0727787 0.0925069 123 GLU E CB +6850 C CG . GLU E 129 ? 1.39451 1.404 1.67257 0.0180332 0.103097 0.0937514 123 GLU E CG +6851 C CD . GLU E 129 ? 1.40138 1.38475 1.65672 0.0272439 0.123499 0.0842683 123 GLU E CD +6852 O OE1 . GLU E 129 ? 1.40122 1.36242 1.64759 0.0290091 0.14518 0.0783682 123 GLU E OE1 +6853 O OE2 . GLU E 129 ? 1.34694 1.33184 1.59305 0.0313531 0.117429 0.0832339 123 GLU E OE2 +6854 N N . GLN E 130 ? 1.19396 1.21697 1.40341 -0.0152878 0.0225029 0.069236 124 GLN E N +6855 C CA . GLN E 130 ? 1.11275 1.13753 1.29724 -0.0240439 -0.00065051 0.0617653 124 GLN E CA +6856 C C . GLN E 130 ? 1.01425 1.04777 1.206 -0.0378261 -0.0162165 0.064451 124 GLN E C +6857 O O . GLN E 130 ? 1.02799 1.07311 1.21532 -0.0473015 -0.0365168 0.0672672 124 GLN E O +6858 C CB . GLN E 130 ? 1.12804 1.12579 1.26749 -0.0223833 0.00027346 0.0410476 124 GLN E CB +6859 C CG . GLN E 130 ? 1.00916 1.00655 1.12199 -0.0287792 -0.0193967 0.0334628 124 GLN E CG +6860 C CD . GLN E 130 ? 0.933676 0.905076 1.00747 -0.0281872 -0.0181462 0.014583 124 GLN E CD +6861 O OE1 . GLN E 130 ? 0.857528 0.812075 0.923608 -0.024689 -0.00512732 0.00758594 124 GLN E OE1 +6862 N NE2 . GLN E 130 ? 0.89981 0.868106 0.949401 -0.0324059 -0.0317899 0.00742812 124 GLN E NE2 +6863 N N . LEU E 131 ? 1.05502 1.08113 1.25496 -0.039927 -0.00676145 0.06311 125 LEU E N +6864 C CA . LEU E 131 ? 1.12719 1.16131 1.33713 -0.0533362 -0.0202496 0.0667521 125 LEU E CA +6865 C C . LEU E 131 ? 1.15427 1.22139 1.40821 -0.0583504 -0.0296117 0.0899391 125 LEU E C +6866 O O . LEU E 131 ? 1.24619 1.32476 1.50343 -0.0725084 -0.0499113 0.0945175 125 LEU E O +6867 C CB . LEU E 131 ? 1.1368 1.15614 1.34797 -0.0532305 -0.00571726 0.0617491 125 LEU E CB +6868 C CG . LEU E 131 ? 1.07217 1.06041 1.2422 -0.0501773 0.00171202 0.0413484 125 LEU E CG +6869 C CD1 . LEU E 131 ? 1.04743 1.02336 1.22267 -0.0483354 0.0196773 0.0402427 125 LEU E CD1 +6870 C CD2 . LEU E 131 ? 1.05465 1.03123 1.19418 -0.0601049 -0.0162976 0.0282557 125 LEU E CD2 +6871 N N . LYS E 132 ? 1.22368 1.30572 1.51121 -0.0474195 -0.0154009 0.105352 126 LYS E N +6872 C CA . LYS E 132 ? 1.21764 1.33362 1.55089 -0.0506452 -0.0242116 0.130394 126 LYS E CA +6873 C C . LYS E 132 ? 1.17997 1.30877 1.49987 -0.0593853 -0.0496316 0.133097 126 LYS E C +6874 O O . LYS E 132 ? 1.27467 1.42946 1.62046 -0.0707111 -0.0676714 0.150625 126 LYS E O +6875 C CB . LYS E 132 ? 1.29885 1.42458 1.66997 -0.0350489 -0.00050139 0.14574 126 LYS E CB +6876 C CG . LYS E 132 ? 1.46553 1.58859 1.86372 -0.0310069 0.0211116 0.151607 126 LYS E CG +6877 C CD . LYS E 132 ? 1.43549 1.54326 1.8424 -0.0146561 0.054268 0.151167 126 LYS E CD +6878 C CE . LYS E 132 ? 1.42495 1.52729 1.84796 -0.0158767 0.0702479 0.15343 126 LYS E CE +6879 N NZ . LYS E 132 ? 1.48946 1.56596 1.90367 -0.00428789 0.102432 0.14568 126 LYS E NZ +6880 N N . SER E 133 ? 1.221 1.33166 1.50023 -0.0551821 -0.051312 0.116608 127 SER E N +6881 C CA . SER E 133 ? 1.1397 1.25814 1.39939 -0.0631154 -0.0731511 0.116843 127 SER E CA +6882 C C . SER E 133 ? 1.11463 1.2178 1.33468 -0.0788744 -0.0919541 0.100813 127 SER E C +6883 O O . SER E 133 ? 1.20191 1.30355 1.39476 -0.0858833 -0.107781 0.0960591 127 SER E O +6884 C CB . SER E 133 ? 1.03664 1.14443 1.2753 -0.0504366 -0.0644038 0.109019 127 SER E CB +6885 O OG . SER E 133 ? 1.04593 1.1224 1.24025 -0.0471598 -0.0577623 0.0846632 127 SER E OG +6886 N N . GLY E 134 ? 1.01503 1.10436 1.22935 -0.0842407 -0.0888892 0.0917797 128 GLY E N +6887 C CA . GLY E 134 ? 1.02632 1.10078 1.20765 -0.0998542 -0.105694 0.078385 128 GLY E CA +6888 C C . GLY E 134 ? 1.07602 1.11896 1.207 -0.0958753 -0.102179 0.0539853 128 GLY E C +6889 O O . GLY E 134 ? 1.15316 1.18274 1.25218 -0.107927 -0.116352 0.0428499 128 GLY E O +6890 N N . THR E 135 ? 1.14569 1.17537 1.26921 -0.0797251 -0.0828428 0.0459054 129 THR E N +6891 C CA . THR E 135 ? 1.15237 1.15329 1.23379 -0.0752724 -0.0778848 0.0248493 129 THR E CA +6892 C C . THR E 135 ? 1.11668 1.10084 1.19796 -0.0649904 -0.057856 0.0172832 129 THR E C +6893 O O . THR E 135 ? 1.12796 1.12104 1.23809 -0.0597669 -0.0456299 0.0271536 129 THR E O +6894 C CB . THR E 135 ? 1.08178 1.08142 1.14297 -0.0686776 -0.0794446 0.0213213 129 THR E CB +6895 O OG1 . THR E 135 ? 1.27851 1.29991 1.3706 -0.060231 -0.07368 0.037602 129 THR E OG1 +6896 C CG2 . THR E 135 ? 1.0574 1.05675 1.09392 -0.0819414 -0.0993803 0.0179842 129 THR E CG2 +6897 N N . ALA E 136 ? 1.08782 1.04677 1.13576 -0.0628962 -0.0543856 0.00025041 130 ALA E N +6898 C CA . ALA E 136 ? 1.0054 0.94687 1.04764 -0.0553398 -0.0381628 -0.00712404 130 ALA E CA +6899 C C . ALA E 136 ? 1.04416 0.966979 1.05493 -0.0480046 -0.0340645 -0.0199674 130 ALA E C +6900 O O . ALA E 136 ? 1.0476 0.960975 1.03478 -0.0521497 -0.0434191 -0.0288041 130 ALA E O +6901 C CB . ALA E 136 ? 0.941511 0.872767 0.983256 -0.0639954 -0.0398555 -0.0113475 130 ALA E CB +6902 N N . SER E 137 ? 1.05358 0.970834 1.06436 -0.037625 -0.0195569 -0.020208 131 SER E N +6903 C CA . SER E 137 ? 1.0978 0.999265 1.08268 -0.0309408 -0.0154362 -0.0299882 131 SER E CA +6904 C C . SER E 137 ? 1.13296 1.01846 1.1121 -0.0273835 -0.00235008 -0.0338666 131 SER E C +6905 O O . SER E 137 ? 1.22445 1.11171 1.21572 -0.0235083 0.00950649 -0.0282993 131 SER E O +6906 C CB . SER E 137 ? 0.985841 0.896715 0.971129 -0.0234862 -0.014251 -0.0258003 131 SER E CB +6907 O OG . SER E 137 ? 0.891953 0.81466 0.875461 -0.0281934 -0.0279937 -0.0233884 131 SER E OG +6908 N N . VAL E 138 ? 1.06273 0.931342 1.02255 -0.0294721 -0.00420955 -0.0430117 132 VAL E N +6909 C CA . VAL E 138 ? 1.07394 0.927661 1.02541 -0.0272972 0.00574626 -0.045633 132 VAL E CA +6910 C C . VAL E 138 ? 1.13537 0.981735 1.06937 -0.0204722 0.00790081 -0.0493105 132 VAL E C +6911 O O . VAL E 138 ? 0.984575 0.828791 0.906783 -0.0191771 0.00097141 -0.0541097 132 VAL E O +6912 C CB . VAL E 138 ? 1.09629 0.937514 1.04163 -0.0337489 0.00245324 -0.0506156 132 VAL E CB +6913 C CG1 . VAL E 138 ? 1.17685 1.00466 1.11571 -0.0332738 0.012012 -0.0506605 132 VAL E CG1 +6914 C CG2 . VAL E 138 ? 1.1492 0.999456 1.11191 -0.0417447 -0.00272505 -0.0468482 132 VAL E CG2 +6915 N N . VAL E 139 ? 1.14024 0.981798 1.07183 -0.0168314 0.0180063 -0.0468307 133 VAL E N +6916 C CA . VAL E 139 ? 1.12402 0.960394 1.04136 -0.0113475 0.0194668 -0.0484984 133 VAL E CA +6917 C C . VAL E 139 ? 1.01295 0.833489 0.916766 -0.0133344 0.0236465 -0.0500303 133 VAL E C +6918 O O . VAL E 139 ? 1.06231 0.87628 0.966294 -0.0168474 0.0313286 -0.0478029 133 VAL E O +6919 C CB . VAL E 139 ? 1.15192 0.995836 1.07515 -0.00616173 0.025836 -0.0436097 133 VAL E CB +6920 C CG1 . VAL E 139 ? 1.14593 0.985359 1.05481 -0.001369 0.0256501 -0.0450019 133 VAL E CG1 +6921 C CG2 . VAL E 139 ? 1.18586 1.04768 1.12583 -0.00477737 0.0210131 -0.0391457 133 VAL E CG2 +6922 N N . CYS E 140 ? 1.01258 0.827127 0.904871 -0.0113548 0.0188349 -0.052847 134 CYS E N +6923 C CA . CYS E 140 ? 1.0551 0.857193 0.936656 -0.013426 0.0203896 -0.0517748 134 CYS E CA +6924 C C . CYS E 140 ? 1.05271 0.854923 0.926191 -0.00945273 0.0219176 -0.0492278 134 CYS E C +6925 O O . CYS E 140 ? 1.06168 0.870277 0.93494 -0.00376821 0.0185575 -0.0502459 134 CYS E O +6926 C CB . CYS E 140 ? 1.10575 0.901676 0.984871 -0.0135695 0.0146957 -0.0545937 134 CYS E CB +6927 S SG . CYS E 140 ? 1.14885 0.931546 1.021 -0.0174331 0.0151951 -0.0500624 134 CYS E SG +6928 N N . LEU E 141 ? 1.1269 0.921072 0.992313 -0.0135079 0.0271663 -0.0458719 135 LEU E N +6929 C CA . LEU E 141 ? 1.16104 0.953256 1.01732 -0.0121938 0.0283541 -0.0428589 135 LEU E CA +6930 C C . LEU E 141 ? 1.16339 0.946424 1.00939 -0.0170958 0.0246574 -0.0385484 135 LEU E C +6931 O O . LEU E 141 ? 1.26103 1.03524 1.10204 -0.0242358 0.0255888 -0.0370204 135 LEU E O +6932 C CB . LEU E 141 ? 1.23321 1.0212 1.08643 -0.0146804 0.0379091 -0.0421635 135 LEU E CB +6933 C CG . LEU E 141 ? 1.34845 1.1294 1.18847 -0.0163703 0.0406011 -0.0394581 135 LEU E CG +6934 C CD1 . LEU E 141 ? 1.46935 1.26183 1.31521 -0.00825459 0.0364311 -0.0387744 135 LEU E CD1 +6935 C CD2 . LEU E 141 ? 1.30689 1.07776 1.14119 -0.0199509 0.0529395 -0.039975 135 LEU E CD2 +6936 N N . LEU E 142 ? 1.15618 0.942319 1.00039 -0.0135947 0.0202684 -0.0351285 136 LEU E N +6937 C CA . LEU E 142 ? 1.10725 0.887403 0.944403 -0.0188056 0.0159744 -0.0277457 136 LEU E CA +6938 C C . LEU E 142 ? 1.13203 0.910969 0.959763 -0.0210214 0.0168158 -0.0241823 136 LEU E C +6939 O O . LEU E 142 ? 1.24014 1.02729 1.07277 -0.0137273 0.0176051 -0.0257767 136 LEU E O +6940 C CB . LEU E 142 ? 1.01784 0.803044 0.864538 -0.0128263 0.0106138 -0.024402 136 LEU E CB +6941 C CG . LEU E 142 ? 1.02504 0.808178 0.879932 -0.0108997 0.00997106 -0.0279077 136 LEU E CG +6942 C CD1 . LEU E 142 ? 1.16525 0.95271 1.02439 -0.00653172 0.0124265 -0.037417 136 LEU E CD1 +6943 C CD2 . LEU E 142 ? 0.970443 0.75513 0.833715 -0.00498976 0.00740412 -0.0231661 136 LEU E CD2 +6944 N N . ASN E 143 ? 1.21649 0.984445 1.02942 -0.0318708 0.0162976 -0.0192855 137 ASN E N +6945 C CA . ASN E 143 ? 1.26684 1.02971 1.06729 -0.0361542 0.0181686 -0.0173736 137 ASN E CA +6946 C C . ASN E 143 ? 1.2672 1.02884 1.06127 -0.0434299 0.00914108 -0.00679994 137 ASN E C +6947 O O . ASN E 143 ? 1.21465 0.970775 1.00301 -0.0523627 0.00382083 -0.00054739 137 ASN E O +6948 C CB . ASN E 143 ? 1.33227 1.0799 1.11657 -0.0440999 0.027797 -0.0220088 137 ASN E CB +6949 C CG . ASN E 143 ? 1.47894 1.21786 1.24869 -0.0487514 0.0310699 -0.0211239 137 ASN E CG +6950 O OD1 . ASN E 143 ? 1.4847 1.23037 1.26247 -0.0404631 0.0347363 -0.0235266 137 ASN E OD1 +6951 N ND2 . ASN E 143 ? 1.51967 1.24337 1.26724 -0.0628855 0.0287004 -0.0168526 137 ASN E ND2 +6952 N N . ASN E 144 ? 1.44163 1.20967 1.23819 -0.0399582 0.00692043 -0.00344659 138 ASN E N +6953 C CA . ASN E 144 ? 1.36521 1.13231 1.1553 -0.0484591 -0.00130646 0.00754166 138 ASN E CA +6954 C C . ASN E 144 ? 1.16153 0.935681 0.963211 -0.0499702 -0.0106687 0.0186604 138 ASN E C +6955 O O . ASN E 144 ? 1.33357 1.10125 1.1245 -0.0633227 -0.0178355 0.0278987 138 ASN E O +6956 C CB . ASN E 144 ? 1.33759 1.08583 1.10076 -0.0637956 0.00085828 0.00691291 138 ASN E CB +6957 C CG . ASN E 144 ? 1.42564 1.16928 1.18261 -0.0607053 0.00905831 0.00044189 138 ASN E CG +6958 O OD1 . ASN E 144 ? 1.51498 1.25137 1.26838 -0.057464 0.0202433 -0.00900298 138 ASN E OD1 +6959 N ND2 . ASN E 144 ? 1.38889 1.13781 1.14765 -0.0608181 0.00418795 0.0064873 138 ASN E ND2 +6960 N N . PHE E 145 ? 1.13568 0.922432 0.958918 -0.0369241 -0.010582 0.0190258 139 PHE E N +6961 C CA . PHE E 145 ? 1.0838 0.877262 0.92273 -0.0357302 -0.0169856 0.0305268 139 PHE E CA +6962 C C . PHE E 145 ? 1.05528 0.862208 0.911323 -0.0281925 -0.0199127 0.0405288 139 PHE E C +6963 O O . PHE E 145 ? 1.09398 0.906559 0.952606 -0.0197234 -0.0154739 0.0353444 139 PHE E O +6964 C CB . PHE E 145 ? 1.07545 0.869734 0.926284 -0.0262529 -0.0122612 0.0235176 139 PHE E CB +6965 C CG . PHE E 145 ? 1.0524 0.852359 0.9106 -0.0124332 -0.00506881 0.0122312 139 PHE E CG +6966 C CD1 . PHE E 145 ? 1.00714 0.803992 0.856313 -0.0112844 0.00040598 -0.0001312 139 PHE E CD1 +6967 C CD2 . PHE E 145 ? 1.02626 0.83382 0.900677 -0.00116456 -0.00335775 0.0148565 139 PHE E CD2 +6968 C CE1 . PHE E 145 ? 1.05812 0.861054 0.913318 -0.00064221 0.00481651 -0.00857311 139 PHE E CE1 +6969 C CE2 . PHE E 145 ? 0.975751 0.786111 0.852434 0.00937497 0.0027217 0.00433976 139 PHE E CE2 +6970 C CZ . PHE E 145 ? 1.05119 0.860126 0.917774 0.00891719 0.00551295 -0.00688357 139 PHE E CZ +6971 N N . TYR E 146 ? 1.0056 0.818633 0.875556 -0.0309083 -0.0270006 0.0563158 140 TYR E N +6972 C CA . TYR E 146 ? 1.00165 0.828609 0.893563 -0.0221002 -0.0279364 0.0677969 140 TYR E CA +6973 C C . TYR E 146 ? 1.08806 0.919281 1.00168 -0.0185899 -0.029626 0.0797255 140 TYR E C +6974 O O . TYR E 146 ? 1.11305 0.940099 1.02361 -0.0297437 -0.0368611 0.0879937 140 TYR E O +6975 C CB . TYR E 146 ? 0.994605 0.826909 0.88358 -0.0322246 -0.0366232 0.0809046 140 TYR E CB +6976 C CG . TYR E 146 ? 1.08781 0.935941 1.00146 -0.0213851 -0.0354714 0.0920951 140 TYR E CG +6977 C CD1 . TYR E 146 ? 1.08377 0.936143 0.997464 -0.0110153 -0.0281038 0.0836517 140 TYR E CD1 +6978 C CD2 . TYR E 146 ? 1.20335 1.06274 1.14215 -0.0208308 -0.0407201 0.112111 140 TYR E CD2 +6979 C CE1 . TYR E 146 ? 1.16265 1.02867 1.09807 -0.00049049 -0.0250825 0.0933998 140 TYR E CE1 +6980 C CE2 . TYR E 146 ? 1.10668 0.980455 1.07052 -0.00947717 -0.0370119 0.122779 140 TYR E CE2 +6981 C CZ . TYR E 146 ? 1.10807 0.984548 1.06893 0.00063597 -0.0287555 0.112781 140 TYR E CZ +6982 O OH . TYR E 146 ? 1.3657 1.2555 1.35 0.0117505 -0.0237086 0.123285 140 TYR E OH +6983 N N . PRO E 147 ? 1.00685 0.845177 0.943124 -0.00357637 -0.022455 0.0822679 141 PRO E N +6984 C CA . PRO E 147 ? 1.02069 0.863649 0.960424 0.00988325 -0.0132397 0.0736784 141 PRO E CA +6985 C C . PRO E 147 ? 1.0805 0.914833 1.00768 0.0175402 -0.0042237 0.052726 141 PRO E C +6986 O O . PRO E 147 ? 1.04145 0.866297 0.959118 0.0131831 -0.00440083 0.0442207 141 PRO E O +6987 C CB . PRO E 147 ? 0.988222 0.839691 0.956549 0.0209176 -0.00847749 0.0872656 141 PRO E CB +6988 C CG . PRO E 147 ? 1.01824 0.864462 0.996475 0.0179964 -0.0105735 0.0939877 141 PRO E CG +6989 C CD . PRO E 147 ? 0.924164 0.765178 0.883792 0.0003543 -0.022349 0.0952907 141 PRO E CD +6990 N N . ARG E 148 ? 1.1156 0.954031 1.04316 0.0280543 0.00299055 0.0458604 142 ARG E N +6991 C CA . ARG E 148 ? 1.17917 1.01199 1.09273 0.0329956 0.0090148 0.0277372 142 ARG E CA +6992 C C . ARG E 148 ? 1.12237 0.945447 1.03767 0.0378402 0.0146724 0.0192855 142 ARG E C +6993 O O . ARG E 148 ? 1.10241 0.919487 1.00505 0.0372798 0.0163634 0.00531132 142 ARG E O +6994 C CB . ARG E 148 ? 1.25846 1.09857 1.17246 0.0422224 0.0145555 0.0254498 142 ARG E CB +6995 C CG . ARG E 148 ? 1.32613 1.16383 1.22514 0.045564 0.0183463 0.00974473 142 ARG E CG +6996 C CD . ARG E 148 ? 1.41664 1.25967 1.31724 0.0560334 0.0254354 0.00862485 142 ARG E CD +6997 N NE . ARG E 148 ? 1.63366 1.47483 1.5196 0.0581733 0.0277471 -0.00491604 142 ARG E NE +6998 C CZ . ARG E 148 ? 1.94667 1.79481 1.82562 0.0573781 0.0257421 -0.00680807 142 ARG E CZ +6999 N NH1 . ARG E 148 ? 2.00297 1.858 1.88593 0.0540743 0.0220255 0.00212362 142 ARG E NH1 +7000 N NH2 . ARG E 148 ? 2.02544 1.87312 1.89339 0.0588334 0.0268488 -0.0169959 142 ARG E NH2 +7001 N N . GLU E 149 ? 1.10431 0.925744 1.0365 0.0423472 0.0177443 0.0285946 143 GLU E N +7002 C CA . GLU E 149 ? 1.23666 1.04618 1.17071 0.0477817 0.0250083 0.0205661 143 GLU E CA +7003 C C . GLU E 149 ? 1.07569 0.877559 1.00313 0.0379705 0.0191301 0.0167915 143 GLU E C +7004 O O . GLU E 149 ? 1.03484 0.837551 0.971746 0.0320714 0.0137522 0.0289485 143 GLU E O +7005 C CB . GLU E 149 ? 1.34957 1.15737 1.3053 0.0573255 0.0332295 0.031421 143 GLU E CB +7006 C CG . GLU E 149 ? 1.57925 1.39426 1.5439 0.0679796 0.0414709 0.0366849 143 GLU E CG +7007 C CD . GLU E 149 ? 1.60342 1.43551 1.58284 0.0663262 0.0355462 0.0548828 143 GLU E CD +7008 O OE1 . GLU E 149 ? 1.30924 1.14874 1.28675 0.0713878 0.03904 0.054697 143 GLU E OE1 +7009 O OE2 . GLU E 149 ? 1.74594 1.5843 1.73878 0.0589481 0.0266528 0.0704906 143 GLU E OE2 +7010 N N . ALA E 150 ? 1.05991 0.855111 0.971873 0.0358282 0.019968 0.00110392 144 ALA E N +7011 C CA . ALA E 150 ? 1.10799 0.895746 1.01387 0.0274035 0.016209 -0.00391645 144 ALA E CA +7012 C C . ALA E 150 ? 1.12563 0.903306 1.02421 0.0300815 0.0210588 -0.0188113 144 ALA E C +7013 O O . ALA E 150 ? 1.23261 1.01179 1.12173 0.033457 0.0234077 -0.0283576 144 ALA E O +7014 C CB . ALA E 150 ? 1.20176 0.994175 1.0956 0.0180163 0.0100699 -0.00522187 144 ALA E CB +7015 N N . LYS E 151 ? 1.16794 0.935135 1.07018 0.0273273 0.0216932 -0.0201525 145 LYS E N +7016 C CA . LYS E 151 ? 1.1689 0.924853 1.06337 0.0273011 0.0249376 -0.033707 145 LYS E CA +7017 C C . LYS E 151 ? 1.17188 0.928565 1.05929 0.0174459 0.0190767 -0.0391135 145 LYS E C +7018 O O . LYS E 151 ? 1.0686 0.825711 0.959746 0.0109084 0.0153456 -0.0322842 145 LYS E O +7019 C CB . LYS E 151 ? 1.26978 1.01148 1.17385 0.0310254 0.0310076 -0.0319301 145 LYS E CB +7020 C CG . LYS E 151 ? 1.50471 1.23152 1.39973 0.0280087 0.0332316 -0.0453182 145 LYS E CG +7021 C CD . LYS E 151 ? 1.69 1.39846 1.59266 0.0321415 0.0414395 -0.0453617 145 LYS E CD +7022 C CE . LYS E 151 ? 1.80005 1.49873 1.70023 0.0425418 0.0530961 -0.0491887 145 LYS E CE +7023 N NZ . LYS E 151 ? 1.84791 1.52362 1.75058 0.0461953 0.0636505 -0.0532611 145 LYS E NZ +7024 N N . VAL E 152 ? 1.19987 0.957125 1.07723 0.016035 0.0184729 -0.0504445 146 VAL E N +7025 C CA . VAL E 152 ? 1.13428 0.89411 1.00826 0.00780996 0.014183 -0.0548301 146 VAL E CA +7026 C C . VAL E 152 ? 1.14122 0.891186 1.0111 0.00521984 0.0143397 -0.0649199 146 VAL E C +7027 O O . VAL E 152 ? 1.35508 1.10323 1.2166 0.00772951 0.0152713 -0.0723828 146 VAL E O +7028 C CB . VAL E 152 ? 1.13811 0.910846 1.00724 0.00721338 0.0120233 -0.056344 146 VAL E CB +7029 C CG1 . VAL E 152 ? 1.31884 1.09457 1.18833 -0.00010746 0.00947304 -0.0600119 146 VAL E CG1 +7030 C CG2 . VAL E 152 ? 1.17013 0.949826 1.04062 0.0077894 0.0117875 -0.0471707 146 VAL E CG2 +7031 N N . GLN E 153 ? 1.08412 0.827261 0.958138 -0.00112722 0.012924 -0.0650391 147 GLN E N +7032 C CA . GLN E 153 ? 1.13079 0.863322 1.00063 -0.00525938 0.0122584 -0.074254 147 GLN E CA +7033 C C . GLN E 153 ? 1.08695 0.82671 0.959209 -0.014061 0.0071419 -0.0756916 147 GLN E C +7034 O O . GLN E 153 ? 1.00161 0.747522 0.879986 -0.016943 0.00679933 -0.0691034 147 GLN E O +7035 C CB . GLN E 153 ? 1.24919 0.964598 1.12372 -0.00477904 0.0162191 -0.0734389 147 GLN E CB +7036 C CG . GLN E 153 ? 1.3538 1.05894 1.22628 0.00454059 0.0237172 -0.0742821 147 GLN E CG +7037 C CD . GLN E 153 ? 1.35727 1.04271 1.23501 0.00599893 0.0298369 -0.0744436 147 GLN E CD +7038 O OE1 . GLN E 153 ? 1.37175 1.05438 1.25996 0.00213746 0.028252 -0.0680995 147 GLN E OE1 +7039 N NE2 . GLN E 153 ? 1.36124 1.03134 1.23026 0.0112184 0.037732 -0.0821118 147 GLN E NE2 +7040 N N . TRP E 154 ? 1.1597 0.897894 1.02663 -0.0188549 0.00355491 -0.083659 148 TRP E N +7041 C CA . TRP E 154 ? 1.13244 0.878496 1.0054 -0.0274764 -0.00146082 -0.0837747 148 TRP E CA +7042 C C . TRP E 154 ? 1.17589 0.907883 1.04993 -0.0347907 -0.00299058 -0.0877227 148 TRP E C +7043 O O . TRP E 154 ? 1.28244 1.0002 1.14625 -0.0360737 -0.00322643 -0.0955131 148 TRP E O +7044 C CB . TRP E 154 ? 1.12389 0.881843 0.992845 -0.0294581 -0.00675456 -0.0870713 148 TRP E CB +7045 C CG . TRP E 154 ? 1.02229 0.796196 0.894313 -0.0237679 -0.00545204 -0.0817004 148 TRP E CG +7046 C CD1 . TRP E 154 ? 1.02282 0.800108 0.886922 -0.016845 -0.00418067 -0.082403 148 TRP E CD1 +7047 C CD2 . TRP E 154 ? 1.00403 0.790459 0.887623 -0.0245954 -0.00371989 -0.074655 148 TRP E CD2 +7048 N NE1 . TRP E 154 ? 1.01383 0.805081 0.884316 -0.0136472 -0.00279627 -0.0762241 148 TRP E NE1 +7049 C CE2 . TRP E 154 ? 0.978694 0.774565 0.860346 -0.0181668 -0.00176699 -0.0717947 148 TRP E CE2 +7050 C CE3 . TRP E 154 ? 1.08439 0.873379 0.97905 -0.0301128 -0.00224794 -0.0705661 148 TRP E CE3 +7051 C CZ2 . TRP E 154 ? 1.00946 0.815363 0.899 -0.0172809 0.00196262 -0.0657451 148 TRP E CZ2 +7052 C CZ3 . TRP E 154 ? 1.06559 0.864656 0.96763 -0.0288807 0.00238679 -0.0645958 148 TRP E CZ3 +7053 C CH2 . TRP E 154 ? 1.04406 0.850489 0.943128 -0.0225958 0.00470282 -0.0625491 148 TRP E CH2 +7054 N N . LYS E 155 ? 1.11207 0.846771 0.997039 -0.0402764 -0.00337277 -0.0826403 149 LYS E N +7055 C CA . LYS E 155 ? 1.15463 0.878191 1.04295 -0.0484314 -0.00549846 -0.0851941 149 LYS E CA +7056 C C . LYS E 155 ? 1.14844 0.885632 1.04748 -0.0568046 -0.0100838 -0.0824216 149 LYS E C +7057 O O . LYS E 155 ? 1.11397 0.863025 1.02195 -0.0560382 -0.00715241 -0.0753637 149 LYS E O +7058 C CB . LYS E 155 ? 1.19402 0.905915 1.08751 -0.0474319 -0.00087478 -0.080068 149 LYS E CB +7059 C CG . LYS E 155 ? 1.41665 1.11444 1.30484 -0.0393803 0.00410493 -0.0809251 149 LYS E CG +7060 C CD . LYS E 155 ? 1.50883 1.20154 1.40511 -0.0362974 0.00802436 -0.0711009 149 LYS E CD +7061 C CE . LYS E 155 ? 1.55657 1.23929 1.4516 -0.0267623 0.0134915 -0.0702247 149 LYS E CE +7062 N NZ . LYS E 155 ? 1.51993 1.19336 1.42578 -0.0248437 0.0167989 -0.0607533 149 LYS E NZ +7063 N N . VAL E 156 ? 1.15189 0.886871 1.04945 -0.0651319 -0.0168383 -0.0875806 150 VAL E N +7064 C CA . VAL E 156 ? 1.14694 0.895096 1.05849 -0.0742358 -0.0220934 -0.0833326 150 VAL E CA +7065 C C . VAL E 156 ? 1.24164 0.975338 1.15556 -0.08352 -0.0245033 -0.0855917 150 VAL E C +7066 O O . VAL E 156 ? 1.274 0.992272 1.17555 -0.0886421 -0.028748 -0.0937968 150 VAL E O +7067 C CB . VAL E 156 ? 1.10899 0.87036 1.0191 -0.0783378 -0.0305876 -0.0846568 150 VAL E CB +7068 C CG1 . VAL E 156 ? 1.06662 0.842561 0.994829 -0.0888596 -0.0373373 -0.0783322 150 VAL E CG1 +7069 C CG2 . VAL E 156 ? 1.19576 0.971679 1.10553 -0.0689282 -0.0276698 -0.0813613 150 VAL E CG2 +7070 N N . ASP E 157 ? 1.21876 0.955674 1.14688 -0.0860592 -0.0209004 -0.0784682 151 ASP E N +7071 C CA . ASP E 157 ? 1.10095 0.824205 1.03331 -0.0939156 -0.021711 -0.0787842 151 ASP E CA +7072 C C . ASP E 157 ? 1.14695 0.846758 1.06641 -0.0892538 -0.0176763 -0.0843901 151 ASP E C +7073 O O . ASP E 157 ? 1.15749 0.839779 1.07224 -0.0954473 -0.0199459 -0.0900122 151 ASP E O +7074 C CB . ASP E 157 ? 1.08304 0.807122 1.01914 -0.106655 -0.0314535 -0.0814279 151 ASP E CB +7075 C CG . ASP E 157 ? 1.06408 0.812298 1.02094 -0.112348 -0.0349122 -0.0721962 151 ASP E CG +7076 O OD1 . ASP E 157 ? 1.02958 0.790348 0.996882 -0.105667 -0.02687 -0.0646038 151 ASP E OD1 +7077 O OD2 . ASP E 157 ? 0.999784 0.75294 0.961586 -0.123665 -0.0450947 -0.0722614 151 ASP E OD2 +7078 N N . ASN E 158 ? 1.25022 0.949636 1.16505 -0.0786101 -0.0114352 -0.082095 152 ASN E N +7079 C CA . ASN E 158 ? 1.39102 1.07143 1.29925 -0.0724747 -0.00625824 -0.0837754 152 ASN E CA +7080 C C . ASN E 158 ? 1.36567 1.02966 1.25882 -0.0712928 -0.00660844 -0.0949553 152 ASN E C +7081 O O . ASN E 158 ? 1.28391 0.92716 1.1726 -0.0679203 -0.00119437 -0.0979647 152 ASN E O +7082 C CB . ASN E 158 ? 1.28411 0.954768 1.20198 -0.0767138 -0.00398364 -0.0778757 152 ASN E CB +7083 C CG . ASN E 158 ? 1.33143 0.997734 1.25138 -0.068863 0.00177859 -0.0699235 152 ASN E CG +7084 O OD1 . ASN E 158 ? 1.39266 1.06496 1.30807 -0.0605814 0.00394317 -0.068148 152 ASN E OD1 +7085 N ND2 . ASN E 158 ? 1.39024 1.04732 1.31812 -0.0721717 0.00351021 -0.0635355 152 ASN E ND2 +7086 N N . ALA E 159 ? 1.24877 0.921718 1.13334 -0.073479 -0.0118733 -0.10042 153 ALA E N +7087 C CA . ALA E 159 ? 1.26691 0.924832 1.13235 -0.0735622 -0.012079 -0.111283 153 ALA E CA +7088 C C . ALA E 159 ? 1.23038 0.899486 1.08857 -0.0639582 -0.0100182 -0.11129 153 ALA E C +7089 O O . ALA E 159 ? 1.2372 0.92875 1.1021 -0.0638031 -0.0143892 -0.106178 153 ALA E O +7090 C CB . ALA E 159 ? 1.30252 0.961006 1.16147 -0.08734 -0.0222433 -0.116894 153 ALA E CB +7091 N N . LEU E 160 ? 1.24927 0.901918 1.09447 -0.0563197 -0.00265694 -0.116885 154 LEU E N +7092 C CA . LEU E 160 ? 1.30765 0.969873 1.14707 -0.0464501 0.0005195 -0.115977 154 LEU E CA +7093 C C . LEU E 160 ? 1.24937 0.917898 1.07338 -0.0518414 -0.00634912 -0.122468 154 LEU E C +7094 O O . LEU E 160 ? 1.46601 1.11812 1.2731 -0.0604819 -0.0090552 -0.131951 154 LEU E O +7095 C CB . LEU E 160 ? 1.49885 1.14318 1.33321 -0.035687 0.0120723 -0.117551 154 LEU E CB +7096 C CG . LEU E 160 ? 1.87336 1.52263 1.72649 -0.0273428 0.0173316 -0.105611 154 LEU E CG +7097 C CD1 . LEU E 160 ? 1.96401 1.59897 1.82786 -0.0311005 0.0194147 -0.102534 154 LEU E CD1 +7098 C CD2 . LEU E 160 ? 1.85457 1.49994 1.70588 -0.0147583 0.026574 -0.103529 154 LEU E CD2 +7099 N N . GLN E 161 ? 1.15292 0.843962 0.981679 -0.0470918 -0.008945 -0.116828 155 GLN E N +7100 C CA . GLN E 161 ? 1.20516 0.906633 1.02272 -0.0516459 -0.016339 -0.119808 155 GLN E CA +7101 C C . GLN E 161 ? 1.317 1.00924 1.11599 -0.043828 -0.00995037 -0.125292 155 GLN E C +7102 O O . GLN E 161 ? 1.58322 1.27363 1.38712 -0.0322302 -0.00079263 -0.121917 155 GLN E O +7103 C CB . GLN E 161 ? 1.12902 0.859068 0.963949 -0.0500914 -0.0210728 -0.109743 155 GLN E CB +7104 C CG . GLN E 161 ? 1.04791 0.787652 0.902735 -0.0563295 -0.0243995 -0.103127 155 GLN E CG +7105 C CD . GLN E 161 ? 1.06022 0.796642 0.913831 -0.070378 -0.0336629 -0.106259 155 GLN E CD +7106 O OE1 . GLN E 161 ? 0.959468 0.707751 0.811382 -0.0777934 -0.0430349 -0.105332 155 GLN E OE1 +7107 N NE2 . GLN E 161 ? 1.18175 0.901871 1.03687 -0.0749077 -0.0317297 -0.108927 155 GLN E NE2 +7108 N N . SER E 162 ? 1.28492 0.972165 1.06273 -0.0507985 -0.0149835 -0.132568 156 SER E N +7109 C CA . SER E 162 ? 1.23185 0.910488 0.989868 -0.0440392 -0.00820469 -0.137716 156 SER E CA +7110 C C . SER E 162 ? 1.34283 1.03777 1.09019 -0.0496157 -0.0180921 -0.136803 156 SER E C +7111 O O . SER E 162 ? 1.42213 1.11964 1.16298 -0.0634265 -0.0297875 -0.138463 156 SER E O +7112 C CB . SER E 162 ? 1.18202 0.827141 0.916517 -0.0465688 0.00014733 -0.149808 156 SER E CB +7113 O OG . SER E 162 ? 1.12503 0.755398 0.872016 -0.0431455 0.00779689 -0.14938 156 SER E OG +7114 N N . GLY E 163 ? 1.35599 1.06238 1.10257 -0.039528 -0.0139975 -0.132945 157 GLY E N +7115 C CA . GLY E 163 ? 1.35001 1.06861 1.0833 -0.0435439 -0.0214889 -0.132145 157 GLY E CA +7116 C C . GLY E 163 ? 1.35593 1.10229 1.10762 -0.0506827 -0.0353221 -0.122369 157 GLY E C +7117 O O . GLY E 163 ? 1.36185 1.11815 1.10387 -0.0584589 -0.045158 -0.120643 157 GLY E O +7118 N N . ASN E 164 ? 1.54425 1.30305 1.3232 -0.0480677 -0.0353778 -0.114896 158 ASN E N +7119 C CA . ASN E 164 ? 1.41786 1.20251 1.21939 -0.0523626 -0.0445396 -0.104226 158 ASN E CA +7120 C C . ASN E 164 ? 1.30654 1.10627 1.13035 -0.0403129 -0.0372417 -0.0953966 158 ASN E C +7121 O O . ASN E 164 ? 1.17514 0.991647 1.02069 -0.0415815 -0.0397657 -0.0868718 158 ASN E O +7122 C CB . ASN E 164 ? 1.37135 1.15444 1.18257 -0.0642843 -0.0516262 -0.103849 158 ASN E CB +7123 C CG . ASN E 164 ? 1.33693 1.10457 1.15487 -0.061369 -0.0433958 -0.107075 158 ASN E CG +7124 O OD1 . ASN E 164 ? 1.41329 1.16925 1.22758 -0.0510077 -0.032647 -0.109869 158 ASN E OD1 +7125 N ND2 . ASN E 164 ? 1.28005 1.0478 1.10881 -0.0711695 -0.0488888 -0.105552 158 ASN E ND2 +7126 N N . SER E 165 ? 1.16923 0.961642 0.987033 -0.0291712 -0.0275014 -0.0971658 159 SER E N +7127 C CA . SER E 165 ? 1.12105 0.923648 0.954534 -0.0194243 -0.0208885 -0.0897555 159 SER E CA +7128 C C . SER E 165 ? 1.14159 0.943897 0.964826 -0.0101637 -0.0156477 -0.0899156 159 SER E C +7129 O O . SER E 165 ? 1.20325 0.991613 1.00813 -0.00938461 -0.0131223 -0.096931 159 SER E O +7130 C CB . SER E 165 ? 1.09431 0.886624 0.936154 -0.0172611 -0.0145359 -0.0894485 159 SER E CB +7131 O OG . SER E 165 ? 1.07136 0.84303 0.900735 -0.015891 -0.00988387 -0.0965065 159 SER E OG +7132 N N . GLN E 166 ? 1.20703 1.02301 1.04166 -0.00343945 -0.0128908 -0.0822499 160 GLN E N +7133 C CA . GLN E 166 ? 1.18389 1.00099 1.01201 0.00539132 -0.0077776 -0.0807306 160 GLN E CA +7134 C C . GLN E 166 ? 1.14135 0.963147 0.982324 0.0114015 -0.00232463 -0.0737536 160 GLN E C +7135 O O . GLN E 166 ? 1.11482 0.945297 0.968529 0.00918129 -0.00317414 -0.0688275 160 GLN E O +7136 C CB . GLN E 166 ? 1.19865 1.02927 1.02216 0.00480745 -0.0130297 -0.0781543 160 GLN E CB +7137 C CG . GLN E 166 ? 1.24237 1.06474 1.0456 -0.00219595 -0.0183035 -0.0855219 160 GLN E CG +7138 C CD . GLN E 166 ? 1.26746 1.10504 1.06702 -0.00616128 -0.0266378 -0.0811403 160 GLN E CD +7139 O OE1 . GLN E 166 ? 1.46188 1.30475 1.26062 -0.0165552 -0.0366519 -0.0805283 160 GLN E OE1 +7140 N NE2 . GLN E 166 ? 1.28124 1.12643 1.07924 0.00149515 -0.0231708 -0.0768796 160 GLN E NE2 +7141 N N . GLU E 167 ? 1.12402 0.939627 0.961007 0.0184016 0.00361895 -0.0728049 161 GLU E N +7142 C CA . GLU E 167 ? 1.13894 0.957795 0.984825 0.0224114 0.00737942 -0.0655315 161 GLU E CA +7143 C C . GLU E 167 ? 1.15309 0.983559 0.999012 0.0273264 0.0079585 -0.0606996 161 GLU E C +7144 O O . GLU E 167 ? 1.03885 0.873235 0.876853 0.0295521 0.00685159 -0.0626843 161 GLU E O +7145 C CB . GLU E 167 ? 1.23431 1.04223 1.08017 0.02646 0.0123484 -0.0640427 161 GLU E CB +7146 C CG . GLU E 167 ? 1.52809 1.32342 1.37631 0.0225752 0.0129003 -0.0666842 161 GLU E CG +7147 C CD . GLU E 167 ? 1.60923 1.39525 1.46166 0.027522 0.0181973 -0.0623999 161 GLU E CD +7148 O OE1 . GLU E 167 ? 1.52088 1.29603 1.37702 0.025258 0.0193622 -0.0629892 161 GLU E OE1 +7149 O OE2 . GLU E 167 ? 1.45038 1.24067 1.30465 0.0339533 0.0214221 -0.0569445 161 GLU E OE2 +7150 N N . SER E 168 ? 1.12607 0.960589 0.979149 0.0281384 0.00983271 -0.0542039 162 SER E N +7151 C CA . SER E 168 ? 1.16175 1.00473 1.01537 0.0326881 0.0111956 -0.0489318 162 SER E CA +7152 C C . SER E 168 ? 1.23292 1.07281 1.08997 0.0321764 0.0136464 -0.0426003 162 SER E C +7153 O O . SER E 168 ? 1.1069 0.942626 0.966373 0.0267786 0.0141308 -0.0415704 162 SER E O +7154 C CB . SER E 168 ? 1.15438 1.00838 1.01254 0.0316439 0.00925754 -0.0473211 162 SER E CB +7155 O OG . SER E 168 ? 0.968541 0.830228 0.826085 0.0366335 0.0103967 -0.0426969 162 SER E OG +7156 N N . VAL E 169 ? 1.27207 1.11375 1.12838 0.0368881 0.0151605 -0.0378169 163 VAL E N +7157 C CA . VAL E 169 ? 1.16361 1.00296 1.02241 0.0347724 0.0155093 -0.0302633 163 VAL E CA +7158 C C . VAL E 169 ? 1.08516 0.931107 0.943795 0.035895 0.0161685 -0.0255313 163 VAL E C +7159 O O . VAL E 169 ? 1.06891 0.922503 0.927402 0.0415751 0.0169196 -0.0253094 163 VAL E O +7160 C CB . VAL E 169 ? 1.08435 0.921288 0.94672 0.0385179 0.0164665 -0.0256306 163 VAL E CB +7161 C CG1 . VAL E 169 ? 1.13719 0.971678 1.00317 0.0331476 0.0140922 -0.0162579 163 VAL E CG1 +7162 C CG2 . VAL E 169 ? 1.11091 0.940278 0.97305 0.0398027 0.0178628 -0.0315656 163 VAL E CG2 +7163 N N . THR E 170 ? 1.06604 0.907244 0.9229 0.0296718 0.0162765 -0.0217348 164 THR E N +7164 C CA . THR E 170 ? 1.09294 0.936684 0.948476 0.0294312 0.0174346 -0.0169359 164 THR E CA +7165 C C . THR E 170 ? 1.21131 1.05778 1.06887 0.0304886 0.0151443 -0.00857895 164 THR E C +7166 O O . THR E 170 ? 1.10875 0.954515 0.970144 0.0308676 0.0132181 -0.00525237 164 THR E O +7167 C CB . THR E 170 ? 1.06454 0.897974 0.913902 0.0211098 0.0199574 -0.0171742 164 THR E CB +7168 O OG1 . THR E 170 ? 1.07436 0.898744 0.918803 0.013663 0.0173513 -0.0152425 164 THR E OG1 +7169 C CG2 . THR E 170 ? 1.08645 0.91882 0.938118 0.0210348 0.0240974 -0.0232312 164 THR E CG2 +7170 N N . GLU E 171 ? 1.3392 1.18951 1.19652 0.0312567 0.0157476 -0.00390634 165 GLU E N +7171 C CA . GLU E 171 ? 1.38195 1.23617 1.24314 0.031121 0.0131787 0.00581673 165 GLU E CA +7172 C C . GLU E 171 ? 1.30733 1.15189 1.16307 0.0193604 0.00893645 0.0113788 165 GLU E C +7173 O O . GLU E 171 ? 1.19453 1.02792 1.04041 0.0118047 0.00991829 0.00661133 165 GLU E O +7174 C CB . GLU E 171 ? 1.30713 1.1685 1.16967 0.0353601 0.0150611 0.00873018 165 GLU E CB +7175 C CG . GLU E 171 ? 1.30421 1.17573 1.17021 0.0458567 0.0179908 0.00507165 165 GLU E CG +7176 C CD . GLU E 171 ? 1.46601 1.34415 1.33763 0.0531446 0.0193846 0.00867075 165 GLU E CD +7177 O OE1 . GLU E 171 ? 1.301 1.18287 1.16982 0.0598396 0.0223301 0.00309806 165 GLU E OE1 +7178 O OE2 . GLU E 171 ? 1.49004 1.36903 1.36859 0.051576 0.0178946 0.0176056 165 GLU E OE2 +7179 N N . GLN E 172 ? 1.09921 0.947933 0.961084 0.0169372 0.00427904 0.0225218 166 GLN E N +7180 C CA . GLN E 172 ? 1.1227 0.96299 0.977806 0.00343078 -0.0020341 0.0297614 166 GLN E CA +7181 C C . GLN E 172 ? 1.17737 1.00438 1.01507 -0.00656846 -0.00072779 0.0258608 166 GLN E C +7182 O O . GLN E 172 ? 1.50404 1.33247 1.34065 -0.00415861 0.00215699 0.0254544 166 GLN E O +7183 C CB . GLN E 172 ? 1.12227 0.97226 0.989738 0.00207856 -0.00808238 0.0449609 166 GLN E CB +7184 C CG . GLN E 172 ? 1.16582 1.01793 1.04338 -5.647e-05 -0.0127305 0.0530621 166 GLN E CG +7185 C CD . GLN E 172 ? 1.08961 0.95451 0.986116 0.0005785 -0.0177239 0.0705979 166 GLN E CD +7186 O OE1 . GLN E 172 ? 1.03848 0.914246 0.946615 0.00986843 -0.0139311 0.0744908 166 GLN E OE1 +7187 N NE2 . GLN E 172 ? 1.0016 0.866022 0.902668 -0.00928135 -0.0260551 0.0824147 166 GLN E NE2 +7188 N N . ASP E 173 ? 1.18342 0.9957 1.00643 -0.0183445 -0.00192836 0.0234814 167 ASP E N +7189 C CA . ASP E 173 ? 1.26364 1.05872 1.067 -0.0288988 0.0015453 0.0195035 167 ASP E CA +7190 C C . ASP E 173 ? 1.37274 1.1658 1.17051 -0.0389033 -0.00541799 0.0300005 167 ASP E C +7191 O O . ASP E 173 ? 1.32684 1.1286 1.13271 -0.0429391 -0.0149701 0.0418329 167 ASP E O +7192 C CB . ASP E 173 ? 1.41984 1.19764 1.20575 -0.0404244 0.00271047 0.0150237 167 ASP E CB +7193 C CG . ASP E 173 ? 1.40064 1.15634 1.16418 -0.049704 0.0111843 0.00773766 167 ASP E CG +7194 O OD1 . ASP E 173 ? 1.40775 1.16133 1.1716 -0.0451861 0.0179315 0.00459923 167 ASP E OD1 +7195 O OD2 . ASP E 173 ? 1.51438 1.2539 1.25986 -0.0615705 0.0118726 0.00565036 167 ASP E OD2 +7196 N N . SER E 174 ? 1.74878 1.52974 1.53378 -0.0432331 -0.00015401 0.0262642 168 SER E N +7197 C CA . SER E 174 ? 1.63868 1.41417 1.41523 -0.0541123 -0.00569263 0.0345196 168 SER E CA +7198 C C . SER E 174 ? 1.53087 1.28984 1.28541 -0.0750654 -0.0140531 0.0398402 168 SER E C +7199 O O . SER E 174 ? 1.22307 0.984674 0.97667 -0.0852767 -0.0243569 0.0516985 168 SER E O +7200 C CB . SER E 174 ? 1.64857 1.41271 1.417 -0.0523868 0.00418184 0.0276745 168 SER E CB +7201 O OG . SER E 174 ? 1.86136 1.60532 1.61326 -0.0556816 0.0149147 0.0162049 168 SER E OG +7202 N N . LYS E 175 ? 1.57613 1.32026 1.31456 -0.0817871 -0.0107611 0.0327716 169 LYS E N +7203 C CA . LYS E 175 ? 1.59815 1.32344 1.31014 -0.103391 -0.0178823 0.0367826 169 LYS E CA +7204 C C . LYS E 175 ? 1.47011 1.20846 1.19294 -0.106367 -0.0296776 0.0472388 169 LYS E C +7205 O O . LYS E 175 ? 1.3352 1.07466 1.05333 -0.120927 -0.0431133 0.0607587 169 LYS E O +7206 C CB . LYS E 175 ? 1.72065 1.41801 1.40405 -0.111556 -0.00602108 0.0236624 169 LYS E CB +7207 C CG . LYS E 175 ? 1.8222 1.51191 1.50738 -0.0988836 0.0119064 0.00997366 169 LYS E CG +7208 C CD . LYS E 175 ? 2.05762 1.7379 1.73848 -0.0972364 0.0199394 0.00682062 169 LYS E CD +7209 C CE . LYS E 175 ? 2.16827 1.84747 1.85951 -0.0821711 0.0365832 -0.00393039 169 LYS E CE +7210 N NZ . LYS E 175 ? 2.30754 1.97525 1.99593 -0.0793349 0.0475309 -0.00744137 169 LYS E NZ +7211 N N . ASP E 176 ? 1.40958 1.15671 1.1467 -0.0936144 -0.0246714 0.041588 170 ASP E N +7212 C CA . ASP E 176 ? 1.15382 0.908912 0.89964 -0.0958909 -0.0327879 0.049345 170 ASP E CA +7213 C C . ASP E 176 ? 1.09363 0.874724 0.872507 -0.083405 -0.0391925 0.0611492 170 ASP E C +7214 O O . ASP E 176 ? 1.18266 0.972353 0.972159 -0.0882056 -0.0491614 0.0744793 170 ASP E O +7215 C CB . ASP E 176 ? 1.09386 0.843558 0.838179 -0.0896496 -0.0240274 0.037947 170 ASP E CB +7216 C CG . ASP E 176 ? 1.1794 0.905777 0.894107 -0.105605 -0.0215907 0.033013 170 ASP E CG +7217 O OD1 . ASP E 176 ? 1.13063 0.853263 0.836219 -0.119231 -0.0314866 0.042303 170 ASP E OD1 +7218 O OD2 . ASP E 176 ? 1.38371 1.09525 1.08473 -0.104223 -0.00868431 0.0201466 170 ASP E OD2 +7219 N N . SER E 177 ? 1.15539 0.948643 0.951033 -0.0672261 -0.0325972 0.0570441 171 SER E N +7220 C CA . SER E 177 ? 1.15489 0.970292 0.980457 -0.052914 -0.0342931 0.0655071 171 SER E CA +7221 C C . SER E 177 ? 1.10816 0.928234 0.946055 -0.0421071 -0.0300481 0.0604736 171 SER E C +7222 O O . SER E 177 ? 0.925104 0.758391 0.784875 -0.0348778 -0.0325635 0.0700864 171 SER E O +7223 C CB . SER E 177 ? 1.19124 1.01754 1.02914 -0.0610906 -0.0465545 0.0855897 171 SER E CB +7224 O OG . SER E 177 ? 1.28534 1.11333 1.12071 -0.0648553 -0.0486637 0.0900699 171 SER E OG +7225 N N . THR E 178 ? 1.11651 0.925098 0.941353 -0.0407002 -0.0224415 0.0456198 172 THR E N +7226 C CA . THR E 178 ? 1.08383 0.89298 0.915694 -0.0337447 -0.0188177 0.0394237 172 THR E CA +7227 C C . THR E 178 ? 1.03115 0.843454 0.867387 -0.0199036 -0.00907232 0.0258234 172 THR E C +7228 O O . THR E 178 ? 1.05963 0.870745 0.890031 -0.0178085 -0.00467086 0.0205168 172 THR E O +7229 C CB . THR E 178 ? 1.11316 0.906416 0.926069 -0.0469206 -0.0198641 0.0361734 172 THR E CB +7230 O OG1 . THR E 178 ? 1.15463 0.934801 0.948207 -0.0512606 -0.0128905 0.0259692 172 THR E OG1 +7231 C CG2 . THR E 178 ? 1.04554 0.836338 0.853337 -0.0621523 -0.0314507 0.0510823 172 THR E CG2 +7232 N N . TYR E 179 ? 1.09802 0.913671 0.944282 -0.0116222 -0.00630237 0.0210715 173 TYR E N +7233 C CA . TYR E 179 ? 1.05599 0.874611 0.905408 -0.00076594 0.0008372 0.00909084 173 TYR E CA +7234 C C . TYR E 179 ? 1.0313 0.84007 0.871704 -0.00514797 0.00424994 -0.00029998 173 TYR E C +7235 O O . TYR E 179 ? 1.04424 0.843777 0.87679 -0.0149559 0.00193441 0.00200064 173 TYR E O +7236 C CB . TYR E 179 ? 0.957009 0.783798 0.821432 0.010466 0.00229137 0.00954121 173 TYR E CB +7237 C CG . TYR E 179 ? 0.990086 0.827115 0.866041 0.0162614 0.00134519 0.019651 173 TYR E CG +7238 C CD1 . TYR E 179 ? 1.05783 0.90226 0.93513 0.0243352 0.00520917 0.0170639 173 TYR E CD1 +7239 C CD2 . TYR E 179 ? 1.00761 0.848014 0.895228 0.0138453 -0.00317333 0.0332646 173 TYR E CD2 +7240 C CE1 . TYR E 179 ? 1.21032 1.06431 1.09903 0.0298859 0.00556974 0.0268997 173 TYR E CE1 +7241 C CE2 . TYR E 179 ? 0.96279 0.813929 0.864666 0.0195468 -0.00309952 0.0443019 173 TYR E CE2 +7242 C CZ . TYR E 179 ? 1.13452 0.992123 1.03653 0.0277593 0.00182745 0.0407228 173 TYR E CZ +7243 O OH . TYR E 179 ? 1.22047 1.08893 1.1378 0.033646 0.0030281 0.052508 173 TYR E OH +7244 N N . SER E 180 ? 0.956461 0.768097 0.798713 0.00174624 0.00957876 -0.00973711 174 SER E N +7245 C CA . SER E 180 ? 0.962507 0.768105 0.801577 -0.00067567 0.0133414 -0.0175546 174 SER E CA +7246 C C . SER E 180 ? 1.01411 0.827587 0.862552 0.00829688 0.0145479 -0.0241867 174 SER E C +7247 O O . SER E 180 ? 1.20165 1.02376 1.05435 0.0158033 0.014602 -0.024546 174 SER E O +7248 C CB . SER E 180 ? 1.01996 0.818806 0.850126 -0.00513523 0.0190726 -0.0205516 174 SER E CB +7249 O OG . SER E 180 ? 1.09735 0.883572 0.912947 -0.0165755 0.0183251 -0.0160688 174 SER E OG +7250 N N . LEU E 181 ? 1.04327 0.853038 0.893507 0.00647242 0.0150235 -0.028983 175 LEU E N +7251 C CA . LEU E 181 ? 1.08053 0.8953 0.936987 0.0124356 0.0145672 -0.0350411 175 LEU E CA +7252 C C . LEU E 181 ? 1.06004 0.874839 0.918599 0.00958872 0.0165992 -0.0404663 175 LEU E C +7253 O O . LEU E 181 ? 1.10822 0.916023 0.964393 0.00312659 0.0189622 -0.0398819 175 LEU E O +7254 C CB . LEU E 181 ? 1.1428 0.95278 1.00237 0.0133215 0.0125105 -0.0342886 175 LEU E CB +7255 C CG . LEU E 181 ? 1.11227 0.923876 0.97401 0.020048 0.0129576 -0.0400881 175 LEU E CG +7256 C CD1 . LEU E 181 ? 1.09731 0.906047 0.963028 0.0251672 0.0141797 -0.0355315 175 LEU E CD1 +7257 C CD2 . LEU E 181 ? 1.10418 0.910544 0.966251 0.0167053 0.0122828 -0.0470454 175 LEU E CD2 +7258 N N . SER E 182 ? 1.07531 0.897945 0.938247 0.0136928 0.0154603 -0.044825 176 SER E N +7259 C CA . SER E 182 ? 1.07623 0.902016 0.945306 0.0108573 0.0158969 -0.0479488 176 SER E CA +7260 C C . SER E 182 ? 1.10095 0.929057 0.971017 0.0115191 0.011069 -0.0531346 176 SER E C +7261 O O . SER E 182 ? 1.17795 1.01274 1.0458 0.015397 0.00851392 -0.054469 176 SER E O +7262 C CB . SER E 182 ? 1.10786 0.942516 0.982528 0.0129386 0.0187695 -0.0455103 176 SER E CB +7263 O OG . SER E 182 ? 1.13846 0.977631 1.02341 0.0100904 0.0198366 -0.0459238 176 SER E OG +7264 N N . SER E 183 ? 1.06822 0.889482 0.939731 0.00672906 0.00991829 -0.0560206 177 SER E N +7265 C CA . SER E 183 ? 1.10611 0.926365 0.976512 0.00498577 0.00534263 -0.0616728 177 SER E CA +7266 C C . SER E 183 ? 1.0934 0.921555 0.973609 -0.00031192 0.00298938 -0.0613451 177 SER E C +7267 O O . SER E 183 ? 1.05545 0.882808 0.943247 -0.00375779 0.00650108 -0.0585386 177 SER E O +7268 C CB . SER E 183 ? 1.19556 1.00236 1.06241 0.00327166 0.00558224 -0.0645078 177 SER E CB +7269 O OG . SER E 183 ? 1.27247 1.0734 1.13219 0.00351496 0.00310209 -0.07107 177 SER E OG +7270 N N . THR E 184 ? 1.15177 0.988025 1.03209 -0.0015585 -0.0028458 -0.0630658 178 THR E N +7271 C CA . THR E 184 ? 1.22272 1.06959 1.11634 -0.00714976 -0.00643777 -0.0600141 178 THR E CA +7272 C C . THR E 184 ? 1.13016 0.972715 1.01844 -0.0144352 -0.0143839 -0.0654567 178 THR E C +7273 O O . THR E 184 ? 1.06627 0.90766 0.941972 -0.0150187 -0.0194834 -0.0694256 178 THR E O +7274 C CB . THR E 184 ? 1.19094 1.05462 1.09364 -0.00443521 -0.00788873 -0.0535585 178 THR E CB +7275 O OG1 . THR E 184 ? 1.2292 1.09307 1.13576 0.00134145 0.00081776 -0.0493195 178 THR E OG1 +7276 C CG2 . THR E 184 ? 1.00745 0.884836 0.928385 -0.0102389 -0.0123842 -0.0476763 178 THR E CG2 +7277 N N . LEU E 185 ? 1.11922 0.958301 1.01565 -0.0207963 -0.0149913 -0.0655634 179 LEU E N +7278 C CA . LEU E 185 ? 1.12305 0.957594 1.016 -0.0298008 -0.0229796 -0.0700047 179 LEU E CA +7279 C C . LEU E 185 ? 1.13156 0.98457 1.04058 -0.0361234 -0.0302677 -0.0628639 179 LEU E C +7280 O O . LEU E 185 ? 1.17134 1.03449 1.1004 -0.0358143 -0.0260639 -0.0552245 179 LEU E O +7281 C CB . LEU E 185 ? 1.12718 0.949061 1.02307 -0.0333127 -0.019535 -0.0721421 179 LEU E CB +7282 C CG . LEU E 185 ? 1.00519 0.820536 0.900077 -0.0438507 -0.0268177 -0.0761244 179 LEU E CG +7283 C CD1 . LEU E 185 ? 1.07493 0.875104 0.947439 -0.0452366 -0.0302381 -0.0856619 179 LEU E CD1 +7284 C CD2 . LEU E 185 ? 0.913575 0.719163 0.815495 -0.0466411 -0.022374 -0.0757824 179 LEU E CD2 +7285 N N . THR E 186 ? 1.06005 0.917 0.960338 -0.0422758 -0.0406459 -0.0644332 180 THR E N +7286 C CA . THR E 186 ? 1.11114 0.988283 1.02884 -0.0494087 -0.049748 -0.054953 180 THR E CA +7287 C C . THR E 186 ? 1.11866 0.99021 1.03122 -0.0633675 -0.0607029 -0.0583486 180 THR E C +7288 O O . THR E 186 ? 1.10968 0.966059 0.997 -0.0687903 -0.0659664 -0.0678873 180 THR E O +7289 C CB . THR E 186 ? 1.17155 1.06229 1.08579 -0.0472655 -0.0551797 -0.0501695 180 THR E CB +7290 O OG1 . THR E 186 ? 1.08182 0.975021 1.00099 -0.0346729 -0.0439941 -0.0475615 180 THR E OG1 +7291 C CG2 . THR E 186 ? 1.09675 1.011 1.033 -0.0551549 -0.0658105 -0.0372411 180 THR E CG2 +7292 N N . LEU E 187 ? 1.14591 1.02951 1.08294 -0.069568 -0.0634077 -0.0498622 181 LEU E N +7293 C CA . LEU E 187 ? 1.08919 0.970132 1.02635 -0.0842349 -0.0745508 -0.0506667 181 LEU E CA +7294 C C . LEU E 187 ? 0.982153 0.890312 0.946024 -0.0915185 -0.084646 -0.035361 181 LEU E C +7295 O O . LEU E 187 ? 0.935563 0.862082 0.923225 -0.083305 -0.0785464 -0.024224 181 LEU E O +7296 C CB . LEU E 187 ? 1.11905 0.98906 1.06469 -0.0860403 -0.068272 -0.05303 181 LEU E CB +7297 C CG . LEU E 187 ? 1.1993 1.04676 1.12872 -0.077034 -0.0561411 -0.0633406 181 LEU E CG +7298 C CD1 . LEU E 187 ? 1.17105 1.01123 1.11201 -0.0797148 -0.050828 -0.0626551 181 LEU E CD1 +7299 C CD2 . LEU E 187 ? 1.37263 1.19842 1.27101 -0.0795834 -0.059497 -0.0761623 181 LEU E CD2 +7300 N N . SER E 188 ? 1.03623 0.945166 0.996576 -0.10748 -0.0994379 -0.034571 182 SER E N +7301 C CA . SER E 188 ? 1.04724 0.982802 1.03725 -0.117332 -0.111043 -0.017862 182 SER E CA +7302 C C . SER E 188 ? 0.99472 0.940974 1.02041 -0.113299 -0.101001 -0.00818866 182 SER E C +7303 O O . SER E 188 ? 0.985244 0.914228 1.00585 -0.108711 -0.0897449 -0.0165749 182 SER E O +7304 C CB . SER E 188 ? 1.11164 1.04067 1.08407 -0.137309 -0.129528 -0.0210732 182 SER E CB +7305 O OG . SER E 188 ? 1.2647 1.22072 1.26872 -0.148812 -0.142488 -0.00301746 182 SER E OG +7306 N N . LYS E 189 ? 1.0006 0.975526 1.06334 -0.114984 -0.104372 0.0106309 183 LYS E N +7307 C CA . LYS E 189 ? 1.10447 1.09095 1.2034 -0.112431 -0.0943981 0.0217396 183 LYS E CA +7308 C C . LYS E 189 ? 1.138 1.1148 1.23489 -0.126479 -0.101948 0.0180447 183 LYS E C +7309 O O . LYS E 189 ? 1.08593 1.05526 1.19287 -0.123001 -0.0898557 0.0167416 183 LYS E O +7310 C CB . LYS E 189 ? 1.22885 1.24932 1.3711 -0.112542 -0.0974602 0.0448256 183 LYS E CB +7311 C CG . LYS E 189 ? 1.29917 1.33109 1.48088 -0.105489 -0.0809005 0.0571445 183 LYS E CG +7312 C CD . LYS E 189 ? 1.29981 1.36531 1.53085 -0.110319 -0.0860286 0.0820987 183 LYS E CD +7313 C CE . LYS E 189 ? 1.40706 1.47475 1.66839 -0.0999893 -0.0629687 0.089294 183 LYS E CE +7314 N NZ . LYS E 189 ? 1.51077 1.60875 1.82578 -0.100792 -0.0601863 0.11418 183 LYS E NZ +7315 N N . ALA E 190 ? 1.20714 1.18358 1.28978 -0.143409 -0.122258 0.0169019 184 ALA E N +7316 C CA . ALA E 190 ? 1.23623 1.20133 1.31259 -0.159531 -0.13226 0.0126727 184 ALA E CA +7317 C C . ALA E 190 ? 1.31866 1.25009 1.36593 -0.154377 -0.120773 -0.00685826 184 ALA E C +7318 O O . ALA E 190 ? 1.21014 1.13501 1.26768 -0.158203 -0.116852 -0.00700873 184 ALA E O +7319 C CB . ALA E 190 ? 1.21338 1.17902 1.26995 -0.178739 -0.155497 0.0124274 184 ALA E CB +7320 N N . ASP E 191 ? 1.31786 1.22939 1.33111 -0.146019 -0.11571 -0.0215865 185 ASP E N +7321 C CA . ASP E 191 ? 1.2917 1.17212 1.27798 -0.140548 -0.10546 -0.0385453 185 ASP E CA +7322 C C . ASP E 191 ? 1.18822 1.06932 1.19236 -0.126772 -0.0874339 -0.0358035 185 ASP E C +7323 O O . ASP E 191 ? 1.22798 1.09108 1.22612 -0.127228 -0.0813654 -0.0425195 185 ASP E O +7324 C CB . ASP E 191 ? 1.49605 1.35846 1.44653 -0.134486 -0.103789 -0.0519808 185 ASP E CB +7325 C CG . ASP E 191 ? 1.86774 1.71783 1.78833 -0.149591 -0.118986 -0.0597381 185 ASP E CG +7326 O OD1 . ASP E 191 ? 2.0576 1.89285 1.96898 -0.164 -0.126559 -0.0648415 185 ASP E OD1 +7327 O OD2 . ASP E 191 ? 1.97608 1.8296 1.88052 -0.147748 -0.122897 -0.0609623 185 ASP E OD2 +7328 N N . TYR E 192 ? 1.27879 1.17914 1.30323 -0.115486 -0.0789011 -0.0257925 186 TYR E N +7329 C CA . TYR E 192 ? 1.14502 1.04383 1.18158 -0.103355 -0.0608918 -0.0236064 186 TYR E CA +7330 C C . TYR E 192 ? 1.07379 0.977722 1.13494 -0.109743 -0.0578951 -0.0157079 186 TYR E C +7331 O O . TYR E 192 ? 1.01109 0.89932 1.06631 -0.106791 -0.0477448 -0.0208871 186 TYR E O +7332 C CB . TYR E 192 ? 1.10396 1.01954 1.15547 -0.0912657 -0.0516718 -0.0149062 186 TYR E CB +7333 C CG . TYR E 192 ? 1.11176 1.02264 1.1716 -0.0805662 -0.032217 -0.0131795 186 TYR E CG +7334 C CD1 . TYR E 192 ? 1.06869 0.958645 1.10389 -0.0731774 -0.0231634 -0.0240905 186 TYR E CD1 +7335 C CD2 . TYR E 192 ? 1.16431 1.09091 1.25626 -0.0785791 -0.022294 0.00017002 186 TYR E CD2 +7336 C CE1 . TYR E 192 ? 1.10575 0.989583 1.1441 -0.0661221 -0.0067439 -0.0224417 186 TYR E CE1 +7337 C CE2 . TYR E 192 ? 1.00618 0.924885 1.1008 -0.0702642 -0.00324467 0.00080541 186 TYR E CE2 +7338 C CZ . TYR E 192 ? 1.03602 0.932603 1.10164 -0.064971 0.00372684 -0.0109484 186 TYR E CZ +7339 O OH . TYR E 192 ? 0.909461 0.796689 0.973567 -0.0592845 0.0211779 -0.0102265 186 TYR E OH +7340 N N . GLU E 193 ? 1.07166 0.998339 1.16111 -0.118683 -0.066889 -0.00192356 187 GLU E N +7341 C CA . GLU E 193 ? 1.10759 1.04317 1.22563 -0.124731 -0.0637662 0.00835562 187 GLU E CA +7342 C C . GLU E 193 ? 1.1593 1.07416 1.26126 -0.135994 -0.0701981 -0.00124976 187 GLU E C +7343 O O . GLU E 193 ? 1.18997 1.10671 1.31063 -0.140074 -0.0654015 0.00478807 187 GLU E O +7344 C CB . GLU E 193 ? 1.178 1.14385 1.33097 -0.133796 -0.0753073 0.0266843 187 GLU E CB +7345 C CG . GLU E 193 ? 1.2039 1.19462 1.38371 -0.12362 -0.068767 0.0411421 187 GLU E CG +7346 C CD . GLU E 193 ? 1.3167 1.33965 1.53304 -0.133757 -0.0832807 0.0617645 187 GLU E CD +7347 O OE1 . GLU E 193 ? 1.39401 1.4383 1.64956 -0.126307 -0.0716107 0.078762 187 GLU E OE1 +7348 O OE2 . GLU E 193 ? 1.15672 1.18445 1.36479 -0.149444 -0.105598 0.0627777 187 GLU E OE2 +7349 N N . LYS E 194 ? 1.26735 1.16144 1.3353 -0.141007 -0.0798254 -0.0157696 188 LYS E N +7350 C CA . LYS E 194 ? 1.15332 1.02566 1.20524 -0.152776 -0.0866299 -0.0250365 188 LYS E CA +7351 C C . LYS E 194 ? 1.0905 0.938745 1.12723 -0.143913 -0.0724478 -0.0350171 188 LYS E C +7352 O O . LYS E 194 ? 1.10304 0.937484 1.13856 -0.151296 -0.0731193 -0.0378741 188 LYS E O +7353 C CB . LYS E 194 ? 1.13706 0.994699 1.1582 -0.163473 -0.101906 -0.0360791 188 LYS E CB +7354 C CG . LYS E 194 ? 1.25393 1.0928 1.26404 -0.180465 -0.112073 -0.0423063 188 LYS E CG +7355 C CD . LYS E 194 ? 1.42323 1.2317 1.39206 -0.18817 -0.119125 -0.0594765 188 LYS E CD +7356 C CE . LYS E 194 ? 1.66218 1.47589 1.6134 -0.197321 -0.133675 -0.0605758 188 LYS E CE +7357 N NZ . LYS E 194 ? 1.8492 1.66767 1.78753 -0.183961 -0.128563 -0.0633587 188 LYS E NZ +7358 N N . HIS E 195 ? 1.18076 1.02374 1.20592 -0.129111 -0.0606163 -0.0394758 189 HIS E N +7359 C CA . HIS E 195 ? 1.16765 0.987939 1.176 -0.12183 -0.0498262 -0.0480078 189 HIS E CA +7360 C C . HIS E 195 ? 1.11014 0.937371 1.13186 -0.111974 -0.0344306 -0.040758 189 HIS E C +7361 O O . HIS E 195 ? 1.31564 1.16212 1.35429 -0.107272 -0.0298205 -0.0319866 189 HIS E O +7362 C CB . HIS E 195 ? 1.17598 0.979874 1.15498 -0.11502 -0.0500737 -0.0599992 189 HIS E CB +7363 C CG . HIS E 195 ? 1.13514 0.925891 1.09531 -0.125328 -0.0623166 -0.0689541 189 HIS E CG +7364 N ND1 . HIS E 195 ? 1.10922 0.87894 1.06051 -0.134692 -0.0654832 -0.0754776 189 HIS E ND1 +7365 C CD2 . HIS E 195 ? 1.0451 0.839932 0.992719 -0.129116 -0.0719718 -0.0719882 189 HIS E CD2 +7366 C CE1 . HIS E 195 ? 1.15318 0.912136 1.08446 -0.144108 -0.0759815 -0.0835248 189 HIS E CE1 +7367 N NE2 . HIS E 195 ? 1.087 0.861436 1.01502 -0.141257 -0.0804508 -0.0813555 189 HIS E NE2 +7368 N N . LYS E 196 ? 1.06714 0.876985 1.07964 -0.109251 -0.0260943 -0.0442693 190 LYS E N +7369 C CA . LYS E 196 ? 1.15715 0.969547 1.17801 -0.103569 -0.0119292 -0.0376434 190 LYS E CA +7370 C C . LYS E 196 ? 1.13358 0.936219 1.13515 -0.092749 -0.00347797 -0.041906 190 LYS E C +7371 O O . LYS E 196 ? 1.1173 0.9285 1.12219 -0.0861786 0.00535968 -0.0376393 190 LYS E O +7372 C CB . LYS E 196 ? 1.27257 1.07622 1.30054 -0.11088 -0.00915505 -0.0346737 190 LYS E CB +7373 C CG . LYS E 196 ? 1.47733 1.28583 1.51697 -0.108554 0.00555615 -0.0257615 190 LYS E CG +7374 C CD . LYS E 196 ? 1.69055 1.52159 1.7562 -0.10773 0.0114553 -0.0151615 190 LYS E CD +7375 C CE . LYS E 196 ? 1.70402 1.53672 1.7827 -0.108223 0.0268084 -0.00640252 190 LYS E CE +7376 N NZ . LYS E 196 ? 1.75288 1.57249 1.81136 -0.101251 0.0405639 -0.00886735 190 LYS E NZ +7377 N N . VAL E 197 ? 1.1424 0.926331 1.12494 -0.0911822 -0.00522734 -0.0492321 191 VAL E N +7378 C CA . VAL E 197 ? 1.12251 0.898154 1.08944 -0.0825986 0.00168755 -0.0507776 191 VAL E CA +7379 C C . VAL E 197 ? 1.1096 0.88698 1.0646 -0.0754691 -0.00215683 -0.0564206 191 VAL E C +7380 O O . VAL E 197 ? 1.17937 0.949913 1.12624 -0.0766279 -0.00966114 -0.0632105 191 VAL E O +7381 C CB . VAL E 197 ? 1.17736 0.934097 1.13526 -0.0845243 0.00240454 -0.0522589 191 VAL E CB +7382 C CG1 . VAL E 197 ? 1.26822 1.01655 1.21116 -0.0772745 0.00681654 -0.0521165 191 VAL E CG1 +7383 C CG2 . VAL E 197 ? 1.1691 0.924796 1.13795 -0.0915778 0.00704493 -0.0456129 191 VAL E CG2 +7384 N N . TYR E 198 ? 1.04489 0.829786 0.997349 -0.0684469 0.00390728 -0.0538228 192 TYR E N +7385 C CA . TYR E 198 ? 1.07513 0.861966 1.01656 -0.0611729 0.00146741 -0.0579511 192 TYR E CA +7386 C C . TYR E 198 ? 0.969233 0.746691 0.897232 -0.0552589 0.00738944 -0.0574071 192 TYR E C +7387 O O . TYR E 198 ? 0.859911 0.638007 0.788021 -0.0551964 0.0151105 -0.0524101 192 TYR E O +7388 C CB . TYR E 198 ? 1.05029 0.855451 1.00199 -0.058399 0.00211458 -0.0541954 192 TYR E CB +7389 C CG . TYR E 198 ? 0.954594 0.771442 0.92036 -0.0652963 -0.0066529 -0.0527151 192 TYR E CG +7390 C CD1 . TYR E 198 ? 0.963691 0.78801 0.948796 -0.0719265 -0.0052071 -0.0460979 192 TYR E CD1 +7391 C CD2 . TYR E 198 ? 0.968292 0.787742 0.926842 -0.0665135 -0.0168167 -0.0573645 192 TYR E CD2 +7392 C CE1 . TYR E 198 ? 1.03419 0.869916 1.03346 -0.0801303 -0.0151544 -0.0431059 192 TYR E CE1 +7393 C CE2 . TYR E 198 ? 1.05835 0.88779 1.02726 -0.0754756 -0.0270022 -0.0551651 192 TYR E CE2 +7394 C CZ . TYR E 198 ? 1.08549 0.9239 1.07595 -0.0825485 -0.0269316 -0.0475143 192 TYR E CZ +7395 O OH . TYR E 198 ? 1.05456 0.904089 1.05703 -0.0929743 -0.038522 -0.0435553 192 TYR E OH +7396 N N . ALA E 199 ? 0.943749 0.71269 0.859928 -0.0506684 0.00429567 -0.0618257 193 ALA E N +7397 C CA . ALA E 199 ? 1.00232 0.764009 0.908905 -0.0463263 0.00823216 -0.0588806 193 ALA E CA +7398 C C . ALA E 199 ? 0.990268 0.750754 0.888055 -0.0386208 0.00639288 -0.0618078 193 ALA E C +7399 O O . ALA E 199 ? 0.988559 0.746789 0.884033 -0.03709 0.00253619 -0.0678506 193 ALA E O +7400 C CB . ALA E 199 ? 0.980837 0.72954 0.887228 -0.0503308 0.0084961 -0.056451 193 ALA E CB +7401 N N . CYS E 200 ? 0.980516 0.741269 0.872184 -0.0348049 0.00943493 -0.0571914 194 CYS E N +7402 C CA . CYS E 200 ? 1.01249 0.771824 0.898172 -0.0275701 0.0084969 -0.0575559 194 CYS E CA +7403 C C . CYS E 200 ? 1.07527 0.826315 0.95924 -0.0273832 0.00922294 -0.050398 194 CYS E C +7404 O O . CYS E 200 ? 1.11234 0.862882 0.993243 -0.03195 0.0105531 -0.0438613 194 CYS E O +7405 C CB . CYS E 200 ? 0.941013 0.711206 0.823265 -0.0225832 0.00927349 -0.0578477 194 CYS E CB +7406 S SG . CYS E 200 ? 0.946038 0.720409 0.824744 -0.0250542 0.0143091 -0.0516231 194 CYS E SG +7407 N N . GLU E 201 ? 1.09546 0.839295 0.981175 -0.0224711 0.00871501 -0.0511139 195 GLU E N +7408 C CA . GLU E 201 ? 1.28048 1.01776 1.16992 -0.0211775 0.00900115 -0.0423554 195 GLU E CA +7409 C C . GLU E 201 ? 1.25755 1.00048 1.14595 -0.0139564 0.00947879 -0.0380955 195 GLU E C +7410 O O . GLU E 201 ? 1.2251 0.966113 1.11441 -0.00649518 0.0118115 -0.0423713 195 GLU E O +7411 C CB . GLU E 201 ? 1.60949 1.33366 1.50543 -0.0199449 0.0103691 -0.0444661 195 GLU E CB +7412 C CG . GLU E 201 ? 1.81449 1.53259 1.71914 -0.0197627 0.0105849 -0.0325338 195 GLU E CG +7413 C CD . GLU E 201 ? 1.78957 1.49294 1.70324 -0.0169786 0.0139505 -0.0328527 195 GLU E CD +7414 O OE1 . GLU E 201 ? 1.6216 1.31879 1.53898 -0.0083895 0.018816 -0.0341656 195 GLU E OE1 +7415 O OE2 . GLU E 201 ? 1.95049 1.64715 1.86767 -0.0234461 0.0128791 -0.0314605 195 GLU E OE2 +7416 N N . VAL E 202 ? 1.19555 0.943968 1.08081 -0.0172767 0.00759962 -0.0293157 196 VAL E N +7417 C CA . VAL E 202 ? 1.09301 0.848181 0.977692 -0.0125764 0.00687517 -0.0234664 196 VAL E CA +7418 C C . VAL E 202 ? 1.05352 0.806172 0.948344 -0.0113239 0.00518667 -0.0108142 196 VAL E C +7419 O O . VAL E 202 ? 0.859554 0.609419 0.755165 -0.0188572 0.00176329 -0.00180885 196 VAL E O +7420 C CB . VAL E 202 ? 1.15919 0.920227 1.03332 -0.0181578 0.00551685 -0.0209441 196 VAL E CB +7421 C CG1 . VAL E 202 ? 1.11188 0.878887 0.986137 -0.0155302 0.00325282 -0.0124248 196 VAL E CG1 +7422 C CG2 . VAL E 202 ? 1.32086 1.08661 1.18995 -0.0168755 0.00840652 -0.0312811 196 VAL E CG2 +7423 N N . THR E 203 ? 1.21974 0.973819 1.1229 -0.00168293 0.0081078 -0.00931175 197 THR E N +7424 C CA . THR E 203 ? 1.20208 0.955943 1.12041 0.00201004 0.00808378 0.00447637 197 THR E CA +7425 C C . THR E 203 ? 1.033 0.798247 0.95335 0.0049272 0.00613615 0.0128358 197 THR E C +7426 O O . THR E 203 ? 0.90613 0.674612 0.824619 0.0126918 0.0104563 0.00629391 197 THR E O +7427 C CB . THR E 203 ? 1.24088 0.984642 1.16896 0.0117054 0.0161261 -0.00051831 197 THR E CB +7428 O OG1 . THR E 203 ? 1.28668 1.01961 1.20968 0.00728133 0.0169708 -0.0103182 197 THR E OG1 +7429 C CG2 . THR E 203 ? 1.25165 0.994401 1.20051 0.0167923 0.0182918 0.0153419 197 THR E CG2 +7430 N N . HIS E 204 ? 1.04604 0.817062 0.969232 -0.00239819 -0.00093159 0.027789 198 HIS E N +7431 C CA . HIS E 204 ? 1.0471 0.829099 0.973579 -0.00129437 -0.00410842 0.0376608 198 HIS E CA +7432 C C . HIS E 204 ? 1.11531 0.902559 1.05906 -0.00473157 -0.0102296 0.0591642 198 HIS E C +7433 O O . HIS E 204 ? 1.29454 1.07728 1.24141 -0.0116951 -0.0142646 0.0664896 198 HIS E O +7434 C CB . HIS E 204 ? 1.06185 0.846464 0.967799 -0.0101403 -0.00827442 0.0327122 198 HIS E CB +7435 C CG . HIS E 204 ? 1.06455 0.85906 0.971773 -0.00939111 -0.0112397 0.0405866 198 HIS E CG +7436 N ND1 . HIS E 204 ? 1.07878 0.877195 0.982219 -0.0205879 -0.0202155 0.0545882 198 HIS E ND1 +7437 C CD2 . HIS E 204 ? 1.08633 0.887221 0.997442 0.00038683 -0.00668449 0.0367109 198 HIS E CD2 +7438 C CE1 . HIS E 204 ? 1.02476 0.832095 0.931484 -0.0174709 -0.0212127 0.0591997 198 HIS E CE1 +7439 N NE2 . HIS E 204 ? 0.998584 0.807983 0.910732 -0.0041086 -0.0125823 0.0486857 198 HIS E NE2 +7440 N N . GLN E 205 ? 1.05762 0.855743 1.01377 -0.00045612 -0.0115379 0.0708419 199 GLN E N +7441 C CA . GLN E 205 ? 0.990589 0.797628 0.967192 -0.00377731 -0.0185077 0.0943963 199 GLN E CA +7442 C C . GLN E 205 ? 1.01466 0.823266 0.977416 -0.0224048 -0.0322224 0.105218 199 GLN E C +7443 O O . GLN E 205 ? 1.11161 0.924882 1.08799 -0.0291998 -0.0403226 0.124777 199 GLN E O +7444 C CB . GLN E 205 ? 1.05974 0.878916 1.04958 0.00447847 -0.0162465 0.101785 199 GLN E CB +7445 C CG . GLN E 205 ? 1.15167 0.984558 1.16647 0.00120453 -0.0242719 0.128831 199 GLN E CG +7446 C CD . GLN E 205 ? 1.22645 1.0712 1.25884 0.0120602 -0.0189951 0.135831 199 GLN E CD +7447 O OE1 . GLN E 205 ? 1.30014 1.14137 1.32514 0.0228092 -0.00834785 0.119834 199 GLN E OE1 +7448 N NE2 . GLN E 205 ? 1.27446 1.13382 1.33153 0.00904302 -0.0264377 0.161081 199 GLN E NE2 +7449 N N . GLY E 206 ? 1.05396 0.857704 0.988707 -0.0314706 -0.0345527 0.0932508 200 GLY E N +7450 C CA . GLY E 206 ? 1.13567 0.936116 1.05048 -0.0503508 -0.0454315 0.100775 200 GLY E CA +7451 C C . GLY E 206 ? 1.10777 0.896114 1.00997 -0.0581895 -0.0452245 0.0954489 200 GLY E C +7452 O O . GLY E 206 ? 1.24194 1.02484 1.12528 -0.0746459 -0.0530924 0.101644 200 GLY E O +7453 N N . LEU E 207 ? 0.994829 0.777815 0.905218 -0.0474094 -0.0360011 0.0835922 201 LEU E N +7454 C CA . LEU E 207 ? 1.12499 0.897861 1.02919 -0.0533294 -0.035353 0.0803725 201 LEU E CA +7455 C C . LEU E 207 ? 1.20931 0.984451 1.1388 -0.0504754 -0.0379239 0.096328 201 LEU E C +7456 O O . LEU E 207 ? 1.35948 1.13884 1.31279 -0.0367451 -0.0323887 0.099087 201 LEU E O +7457 C CB . LEU E 207 ? 1.11735 0.883367 1.01709 -0.0441931 -0.0246306 0.0590289 201 LEU E CB +7458 C CG . LEU E 207 ? 0.981379 0.746241 0.860892 -0.0453558 -0.0208899 0.044368 201 LEU E CG +7459 C CD1 . LEU E 207 ? 0.970312 0.731976 0.852015 -0.0357211 -0.0122095 0.027311 201 LEU E CD1 +7460 C CD2 . LEU E 207 ? 0.948994 0.706153 0.804029 -0.0610574 -0.0239295 0.0446919 201 LEU E CD2 +7461 N N . SER E 208 ? 1.25791 1.0285 1.18172 -0.0630663 -0.0446771 0.106164 202 SER E N +7462 C CA . SER E 208 ? 1.25731 1.02859 1.20565 -0.0604892 -0.0463106 0.120955 202 SER E CA +7463 C C . SER E 208 ? 1.20999 0.971505 1.16781 -0.048212 -0.0344853 0.106056 202 SER E C +7464 O O . SER E 208 ? 1.17156 0.933208 1.15524 -0.036781 -0.0293055 0.112014 202 SER E O +7465 C CB . SER E 208 ? 1.26199 1.03064 1.19903 -0.0782784 -0.0570519 0.135108 202 SER E CB +7466 O OG . SER E 208 ? 1.37037 1.12676 1.27834 -0.0871182 -0.0539065 0.119535 202 SER E OG +7467 N N . SER E 209 ? 1.24542 0.997637 1.18255 -0.0509231 -0.0296231 0.0870354 203 SER E N +7468 C CA . SER E 209 ? 1.272 1.01481 1.21509 -0.04182 -0.0200566 0.0722291 203 SER E CA +7469 C C . SER E 209 ? 1.16209 0.902958 1.08747 -0.0392161 -0.014364 0.0510944 203 SER E C +7470 O O . SER E 209 ? 1.10879 0.852389 1.01525 -0.0467605 -0.0169972 0.0478121 203 SER E O +7471 C CB . SER E 209 ? 1.30159 1.0357 1.24451 -0.0496493 -0.0214504 0.0756423 203 SER E CB +7472 O OG . SER E 209 ? 1.50251 1.23425 1.42051 -0.0633093 -0.0249757 0.0720466 203 SER E OG +7473 N N . PRO E 210 ? 1.23355 0.968647 1.16427 -0.0292932 -0.00636161 0.0369215 204 PRO E N +7474 C CA . PRO E 210 ? 1.24756 0.982142 1.16426 -0.0276115 -0.00222582 0.0187721 204 PRO E CA +7475 C C . PRO E 210 ? 1.22106 0.953622 1.12151 -0.0386758 -0.00357725 0.0137026 204 PRO E C +7476 O O . PRO E 210 ? 1.27969 1.00527 1.18108 -0.0438231 -0.00305793 0.0131122 204 PRO E O +7477 C CB . PRO E 210 ? 1.28118 1.00675 1.20579 -0.0192621 0.004484 0.0075556 204 PRO E CB +7478 C CG . PRO E 210 ? 1.336 1.05699 1.2801 -0.0124203 0.00693654 0.01879 204 PRO E CG +7479 C CD . PRO E 210 ? 1.3337 1.0612 1.28382 -0.0199572 -0.00072475 0.0383879 204 PRO E CD +7480 N N . VAL E 211 ? 1.2312 0.96921 1.11746 -0.0415359 -0.00380113 0.00971805 205 VAL E N +7481 C CA . VAL E 211 ? 1.2969 1.03244 1.16806 -0.0497192 -0.0014604 0.00317416 205 VAL E CA +7482 C C . VAL E 211 ? 1.33184 1.06764 1.20661 -0.0445162 0.00369284 -0.0110482 205 VAL E C +7483 O O . VAL E 211 ? 1.23013 0.970272 1.1096 -0.0357935 0.00496002 -0.0178361 205 VAL E O +7484 C CB . VAL E 211 ? 1.26087 1.00019 1.11699 -0.053504 -0.0021145 0.00453503 205 VAL E CB +7485 C CG1 . VAL E 211 ? 1.27796 1.01418 1.11979 -0.0586706 0.0041068 -0.00415278 205 VAL E CG1 +7486 C CG2 . VAL E 211 ? 1.15571 0.893817 1.00545 -0.062576 -0.00925744 0.0197334 205 VAL E CG2 +7487 N N . THR E 212 ? 1.27553 1.00707 1.14783 -0.0508322 0.00630264 -0.0145308 206 THR E N +7488 C CA . THR E 212 ? 1.23595 0.969737 1.11289 -0.0482922 0.00973594 -0.0256425 206 THR E CA +7489 C C . THR E 212 ? 1.2256 0.961692 1.09424 -0.053821 0.0148787 -0.0279913 206 THR E C +7490 O O . THR E 212 ? 1.36855 1.09871 1.22943 -0.0621928 0.0172379 -0.02304 206 THR E O +7491 C CB . THR E 212 ? 1.2728 0.999448 1.15946 -0.0502282 0.00905444 -0.0266558 206 THR E CB +7492 O OG1 . THR E 212 ? 1.35674 1.07894 1.25118 -0.0438449 0.00690285 -0.0245491 206 THR E OG1 +7493 C CG2 . THR E 212 ? 1.24213 0.971461 1.13384 -0.0505217 0.0107913 -0.0363715 206 THR E CG2 +7494 N N . LYS E 213 ? 1.10686 0.850882 0.977127 -0.0491961 0.0175741 -0.0347884 207 LYS E N +7495 C CA . LYS E 213 ? 1.15485 0.901106 1.02306 -0.0528035 0.0246483 -0.0366588 207 LYS E CA +7496 C C . LYS E 213 ? 1.16569 0.918196 1.04875 -0.0517368 0.0247977 -0.041824 207 LYS E C +7497 O O . LYS E 213 ? 0.971506 0.729956 0.861466 -0.0465193 0.0201743 -0.0466188 207 LYS E O +7498 C CB . LYS E 213 ? 1.10028 0.85116 0.961563 -0.0494389 0.028566 -0.0378701 207 LYS E CB +7499 C CG . LYS E 213 ? 1.25883 1.00297 1.1036 -0.0528452 0.0279744 -0.0325153 207 LYS E CG +7500 C CD . LYS E 213 ? 1.38368 1.1155 1.21332 -0.0639416 0.0314976 -0.0271868 207 LYS E CD +7501 C CE . LYS E 213 ? 1.5134 1.23934 1.32645 -0.06901 0.0272061 -0.0207193 207 LYS E CE +7502 N NZ . LYS E 213 ? 1.63762 1.34974 1.42927 -0.0819422 0.0305087 -0.015866 207 LYS E NZ +7503 N N . SER E 214 ? 1.14363 0.894352 1.03083 -0.0578036 0.0299327 -0.0401919 208 SER E N +7504 C CA . SER E 214 ? 1.10867 0.866278 1.01195 -0.0586664 0.0288749 -0.0429576 208 SER E CA +7505 C C . SER E 214 ? 1.09344 0.856354 1.00435 -0.0615007 0.0384701 -0.0404007 208 SER E C +7506 O O . SER E 214 ? 0.985919 0.742895 0.88652 -0.0636635 0.047716 -0.0374779 208 SER E O +7507 C CB . SER E 214 ? 1.17705 0.926939 1.08441 -0.0632682 0.0243317 -0.042388 208 SER E CB +7508 O OG . SER E 214 ? 1.26444 1.00608 1.16601 -0.0699621 0.029493 -0.0365583 208 SER E OG +7509 N N . PHE E 215 ? 1.11829 0.891735 1.0475 -0.0620683 0.0363758 -0.0410692 209 PHE E N +7510 C CA . PHE E 215 ? 1.05423 0.834816 0.998183 -0.0647416 0.0452733 -0.0365723 209 PHE E CA +7511 C C . PHE E 215 ? 1.08442 0.873878 1.04808 -0.0689191 0.0382 -0.03584 209 PHE E C +7512 O O . PHE E 215 ? 1.06452 0.856352 1.02935 -0.0687604 0.0268049 -0.0401943 209 PHE E O +7513 C CB . PHE E 215 ? 1.08702 0.877741 1.03717 -0.0588038 0.0522935 -0.0350573 209 PHE E CB +7514 C CG . PHE E 215 ? 1.08501 0.891266 1.04805 -0.0544147 0.0430332 -0.036405 209 PHE E CG +7515 C CD1 . PHE E 215 ? 1.14858 0.954507 1.0996 -0.0491103 0.036417 -0.0409886 209 PHE E CD1 +7516 C CD2 . PHE E 215 ? 1.05044 0.87222 1.03762 -0.0563208 0.0409578 -0.0317502 209 PHE E CD2 +7517 C CE1 . PHE E 215 ? 1.14784 0.966957 1.10756 -0.0461422 0.0281205 -0.0419171 209 PHE E CE1 +7518 C CE2 . PHE E 215 ? 1.11766 0.953757 1.11439 -0.054149 0.0311026 -0.0317116 209 PHE E CE2 +7519 C CZ . PHE E 215 ? 1.11617 0.950138 1.09761 -0.0492245 0.024831 -0.0372889 209 PHE E CZ +7520 N N . ASN E 216 ? 1.2639 1.05679 1.24173 -0.0735769 0.0456285 -0.0301096 210 ASN E N +7521 C CA . ASN E 216 ? 1.28672 1.08981 1.28628 -0.0791063 0.0395094 -0.0271709 210 ASN E CA +7522 C C . ASN E 216 ? 1.25435 1.07712 1.27695 -0.076338 0.042801 -0.0210431 210 ASN E C +7523 O O . ASN E 216 ? 1.39939 1.22438 1.42621 -0.0721864 0.0569494 -0.0164625 210 ASN E O +7524 C CB . ASN E 216 ? 1.29417 1.09124 1.2996 -0.0861302 0.0460379 -0.0222727 210 ASN E CB +7525 C CG . ASN E 216 ? 1.31292 1.09121 1.29762 -0.0890135 0.0451587 -0.0250699 210 ASN E CG +7526 O OD1 . ASN E 216 ? 1.35059 1.12201 1.32678 -0.0888951 0.0343531 -0.0304111 210 ASN E OD1 +7527 N ND2 . ASN E 216 ? 1.39267 1.16205 1.36944 -0.0919726 0.0568274 -0.0207421 210 ASN E ND2 +7528 N N . ARG E 217 ? 1.24515 1.08135 1.28265 -0.0793047 0.0301399 -0.0201458 211 ARG E N +7529 C CA . ARG E 217 ? 1.26506 1.12289 1.32861 -0.0775969 0.0311929 -0.0113634 211 ARG E CA +7530 C C . ARG E 217 ? 1.32783 1.19325 1.41629 -0.080688 0.042991 -0.0007109 211 ARG E C +7531 O O . ARG E 217 ? 1.28038 1.14604 1.37814 -0.0890667 0.0378242 0.0015811 211 ARG E O +7532 C CB . ARG E 217 ? 1.19487 1.06468 1.2654 -0.0826002 0.0127355 -0.01198 211 ARG E CB +7533 C CG . ARG E 217 ? 1.17014 1.06556 1.27326 -0.0840798 0.0103538 0.00074562 211 ARG E CG +7534 C CD . ARG E 217 ? 1.19249 1.09739 1.30011 -0.0942491 -0.0102951 0.00102395 211 ARG E CD +7535 N NE . ARG E 217 ? 1.29661 1.1893 1.39761 -0.104971 -0.018077 -0.00380313 211 ARG E NE +7536 C CZ . ARG E 217 ? 1.30911 1.20792 1.43196 -0.112594 -0.016869 0.00441045 211 ARG E CZ +7537 N NH1 . ARG E 217 ? 1.38695 1.3053 1.54164 -0.110188 -0.00748516 0.0186505 211 ARG E NH1 +7538 N NH2 . ARG E 217 ? 1.27098 1.15601 1.38539 -0.122048 -0.0235638 -0.00085652 211 ARG E NH2 +7539 N N . GLY E 218 ? 1.53155 1.4019 1.63051 -0.0737353 0.0597849 0.005741 212 GLY E N +7540 C CA . GLY E 218 ? 1.53509 1.40852 1.65418 -0.0743688 0.076928 0.0153962 212 GLY E CA +7541 C C . GLY E 218 ? 1.6033 1.45348 1.69568 -0.07218 0.0941454 0.0101652 212 GLY E C +7542 O O . GLY E 218 ? 1.32054 1.16003 1.40693 -0.0780732 0.0991811 0.0104223 212 GLY E O +7543 N N . GLU E 219 ? 1.71917 1.5611 1.79362 -0.0649267 0.101389 0.00550219 213 GLU E N +7544 C CA . GLU E 219 ? 1.85224 1.67047 1.89514 -0.0644641 0.114773 -0.00035897 213 GLU E CA +7545 C C . GLU E 219 ? 1.79687 1.6129 1.83733 -0.0561531 0.129021 0.00019524 213 GLU E C +7546 O O . GLU E 219 ? 1.36892 1.201 1.43895 -0.0508288 0.136092 0.00856856 213 GLU E O +7547 C CB . GLU E 219 ? 1.88737 1.69085 1.89876 -0.0680239 0.101009 -0.0100293 213 GLU E CB +7548 C CG . GLU E 219 ? 1.8172 1.60822 1.81733 -0.0765635 0.0991557 -0.0106569 213 GLU E CG +7549 C CD . GLU E 219 ? 1.61132 1.38643 1.58127 -0.0790149 0.0893729 -0.0175667 213 GLU E CD +7550 O OE1 . GLU E 219 ? 1.5074 1.27267 1.46865 -0.0856385 0.0859408 -0.0171949 213 GLU E OE1 +7551 O OE2 . GLU E 219 ? 1.26555 1.03849 1.22187 -0.0740965 0.0855957 -0.0220927 213 GLU E OE2 +7552 N N . CYS E 220 ? 2.18413 1.98 2.19021 -0.0558895 0.132757 -0.00769214 214 CYS E N +7553 C CA . CYS E 220 ? 2.25825 2.04487 2.25263 -0.049944 0.146231 -0.00946669 214 CYS E CA +7554 C C . CYS E 220 ? 2.16289 1.94913 2.13957 -0.0471495 0.13078 -0.016379 214 CYS E C +7555 O O . CYS E 220 ? 1.93566 1.71427 1.89179 -0.0520903 0.117498 -0.0218257 214 CYS E O +7556 C CB . CYS E 220 ? 2.07969 1.83918 2.04417 -0.054871 0.165115 -0.0124615 214 CYS E CB +7557 S SG . CYS E 220 ? 1.75513 1.50955 1.73572 -0.0563914 0.191523 -0.00462076 214 CYS E SG +7558 O OXT . CYS E 220 ? 1.96808 1.76197 1.95371 -0.0397793 0.133092 -0.0150904 214 CYS E OXT +7559 N N . ASN F 1 ? 2.05133 1.57276 1.36418 0.0135841 0.0447591 -0.0989493 1 ASN F N +7560 C CA . ASN F 1 ? 1.92767 1.50964 1.30957 -0.00353614 0.00184136 -0.0945839 1 ASN F CA +7561 C C . ASN F 1 ? 1.77637 1.42767 1.25985 0.00413482 0.0235128 -0.0945373 1 ASN F C +7562 O O . ASN F 1 ? 1.8307 1.49195 1.33821 0.0198624 0.0643183 -0.0948118 1 ASN F O +7563 C CB . ASN F 1 ? 1.89424 1.50372 1.28457 -0.0105396 -0.035973 -0.0784763 1 ASN F CB +7564 C CG . ASN F 1 ? 2.01444 1.56539 1.31509 -0.0281604 -0.0774584 -0.0775646 1 ASN F CG +7565 O OD1 . ASN F 1 ? 1.91896 1.39752 1.12532 -0.0237012 -0.0687659 -0.0801772 1 ASN F OD1 +7566 N ND2 . ASN F 1 ? 2.0214 1.60363 1.34969 -0.0502756 -0.124804 -0.0715967 1 ASN F ND2 +7567 N N . LYS F 2 ? 1.56743 1.26566 1.1085 -0.00914676 -0.00547921 -0.0926957 2 LYS F N +7568 C CA . LYS F 2 ? 1.45863 1.21419 1.08541 -0.00504843 0.00829144 -0.0932807 2 LYS F CA +7569 C C . LYS F 2 ? 1.33029 1.14967 1.02313 -0.0144061 -0.0232714 -0.081198 2 LYS F C +7570 O O . LYS F 2 ? 1.47954 1.30188 1.15737 -0.0274035 -0.0590785 -0.0732121 2 LYS F O +7571 C CB . LYS F 2 ? 1.52558 1.25149 1.13659 -0.00925779 0.0152441 -0.107077 2 LYS F CB +7572 C CG . LYS F 2 ? 1.60443 1.27755 1.16722 0.00839459 0.0565213 -0.116834 2 LYS F CG +7573 C CD . LYS F 2 ? 1.5266 1.24255 1.15147 0.0272566 0.0961516 -0.111819 2 LYS F CD +7574 C CE . LYS F 2 ? 1.41915 1.09465 1.00994 0.0472928 0.138514 -0.11735 2 LYS F CE +7575 N NZ . LYS F 2 ? 1.26434 0.988637 0.923801 0.0628112 0.173652 -0.109253 2 LYS F NZ +7576 N N . ILE F 3 ? 1.18853 1.06085 0.955657 -0.00742314 -0.010423 -0.0775609 3 ILE F N +7577 C CA . ILE F 3 ? 1.1515 1.08102 0.979126 -0.0122051 -0.0330691 -0.0655962 3 ILE F CA +7578 C C . ILE F 3 ? 1.07649 1.01488 0.923445 -0.0285023 -0.0469478 -0.0712298 3 ILE F C +7579 O O . ILE F 3 ? 1.06456 0.978667 0.901915 -0.0278224 -0.0288434 -0.0839281 3 ILE F O +7580 C CB . ILE F 3 ? 1.25164 1.21914 1.13447 0.00317184 -0.0112309 -0.0596148 3 ILE F CB +7581 C CG1 . ILE F 3 ? 1.44789 1.39589 1.30422 0.0161588 0.0049916 -0.0546764 3 ILE F CG1 +7582 C CG2 . ILE F 3 ? 1.19009 1.21127 1.12932 0.00407258 -0.0279799 -0.0459418 3 ILE F CG2 +7583 C CD1 . ILE F 3 ? 1.63724 1.59411 1.52327 0.0245604 0.0342197 -0.0557725 3 ILE F CD1 +7584 N N . LEU F 4 ? 1.09762 1.073 0.975032 -0.0426755 -0.0778697 -0.0595302 4 LEU F N +7585 C CA . LEU F 4 ? 1.12538 1.10954 1.02279 -0.0618079 -0.0908042 -0.0626735 4 LEU F CA +7586 C C . LEU F 4 ? 0.99348 1.03248 0.965397 -0.053377 -0.0763979 -0.0564613 4 LEU F C +7587 O O . LEU F 4 ? 0.994316 1.07272 1.00447 -0.037743 -0.0696732 -0.0442152 4 LEU F O +7588 C CB . LEU F 4 ? 1.21697 1.21142 1.10654 -0.0883488 -0.13413 -0.0509037 4 LEU F CB +7589 C CG . LEU F 4 ? 1.35123 1.27463 1.14992 -0.103475 -0.154403 -0.0592516 4 LEU F CG +7590 C CD1 . LEU F 4 ? 1.43266 1.37451 1.22842 -0.132497 -0.204674 -0.042463 4 LEU F CD1 +7591 C CD2 . LEU F 4 ? 1.37039 1.22384 1.11376 -0.108783 -0.137954 -0.0812111 4 LEU F CD2 +7592 N N . VAL F 5 ? 0.98658 1.02094 0.971383 -0.0632159 -0.0720929 -0.0642152 5 VAL F N +7593 C CA . VAL F 5 ? 0.960657 1.03548 1.0041 -0.0546683 -0.0561073 -0.0598723 5 VAL F CA +7594 C C . VAL F 5 ? 0.955177 1.0484 1.02321 -0.0766312 -0.0729487 -0.0546085 5 VAL F C +7595 O O . VAL F 5 ? 1.2792 1.33087 1.31387 -0.0907548 -0.076926 -0.0663785 5 VAL F O +7596 C CB . VAL F 5 ? 0.981067 1.03341 1.02144 -0.039664 -0.0260852 -0.07319 5 VAL F CB +7597 C CG1 . VAL F 5 ? 0.96548 1.05135 1.04785 -0.0231319 -0.00922286 -0.0659578 5 VAL F CG1 +7598 C CG2 . VAL F 5 ? 1.11531 1.12329 1.10653 -0.0303993 -0.0123806 -0.0837157 5 VAL F CG2 +7599 N N . LYS F 6 ? 0.98083 1.13332 1.10549 -0.0774963 -0.0791095 -0.0358131 6 LYS F N +7600 C CA . LYS F 6 ? 0.975893 1.15619 1.13494 -0.0982763 -0.0902919 -0.0262863 6 LYS F CA +7601 C C . LYS F 6 ? 0.837557 1.04111 1.03647 -0.0811212 -0.0627431 -0.0240364 6 LYS F C +7602 O O . LYS F 6 ? 0.841905 1.07616 1.06827 -0.0589982 -0.0484943 -0.0139945 6 LYS F O +7603 C CB . LYS F 6 ? 1.01023 1.24721 1.20832 -0.115268 -0.11872 -0.00118751 6 LYS F CB +7604 C CG . LYS F 6 ? 1.28301 1.50567 1.44445 -0.130401 -0.151638 0.00245583 6 LYS F CG +7605 C CD . LYS F 6 ? 1.38366 1.62421 1.54684 -0.10425 -0.148786 0.0111009 6 LYS F CD +7606 C CE . LYS F 6 ? 1.29236 1.4967 1.39763 -0.115278 -0.176838 0.00899696 6 LYS F CE +7607 N NZ . LYS F 6 ? 1.28315 1.49157 1.38268 -0.0846201 -0.163893 0.0133289 6 LYS F NZ +7608 N N . GLN F 7 ? 0.783659 0.963875 0.976855 -0.0900756 -0.055231 -0.0334647 7 GLN F N +7609 C CA . GLN F 7 ? 0.770837 0.969322 0.995734 -0.0784575 -0.0337619 -0.0293217 7 GLN F CA +7610 C C . GLN F 7 ? 0.83764 1.03479 1.07168 -0.101848 -0.0403073 -0.0259244 7 GLN F C +7611 O O . GLN F 7 ? 0.88841 1.0476 1.08849 -0.123061 -0.0563055 -0.0351588 7 GLN F O +7612 C CB . GLN F 7 ? 0.828603 0.989223 1.0293 -0.0597895 -0.0132865 -0.0461338 7 GLN F CB +7613 C CG . GLN F 7 ? 0.914366 1.02359 1.07023 -0.0659296 -0.0173983 -0.063789 7 GLN F CG +7614 C CD . GLN F 7 ? 0.868849 0.954698 1.01436 -0.0476828 0.00203974 -0.0748584 7 GLN F CD +7615 O OE1 . GLN F 7 ? 0.853778 0.912365 0.971684 -0.0406123 0.00694752 -0.0844656 7 GLN F OE1 +7616 N NE2 . GLN F 7 ? 0.84049 0.936838 1.00756 -0.0410783 0.0129275 -0.0716651 7 GLN F NE2 +7617 N N . SER F 8 ? 0.919004 1.14994 1.1915 -0.0972253 -0.0259025 -0.0124312 8 SER F N +7618 C CA . SER F 8 ? 0.854583 1.08842 1.13949 -0.119942 -0.0289459 -0.00530782 8 SER F CA +7619 C C . SER F 8 ? 0.833208 1.00133 1.0696 -0.129068 -0.0316494 -0.0258737 8 SER F C +7620 O O . SER F 8 ? 0.815669 0.951245 1.02793 -0.108265 -0.0182112 -0.0411125 8 SER F O +7621 C CB . SER F 8 ? 0.791977 1.05421 1.10967 -0.106936 -0.00459663 0.00802447 8 SER F CB +7622 O OG . SER F 8 ? 1.05006 1.37826 1.42123 -0.114691 -0.00666462 0.035305 8 SER F OG +7623 N N . PRO F 9 ? 0.889433 1.03642 1.11097 -0.159975 -0.0489076 -0.0246345 9 PRO F N +7624 C CA . PRO F 9 ? 0.94447 1.02116 1.114 -0.16473 -0.0492401 -0.0428263 9 PRO F CA +7625 C C . PRO F 9 ? 0.933353 0.99895 1.10817 -0.151764 -0.0283471 -0.0438635 9 PRO F C +7626 O O . PRO F 9 ? 0.919885 0.937915 1.06108 -0.138144 -0.0210301 -0.0585818 9 PRO F O +7627 C CB . PRO F 9 ? 0.971576 1.02908 1.12203 -0.20476 -0.0760157 -0.0374278 9 PRO F CB +7628 C CG . PRO F 9 ? 1.01481 1.14852 1.23027 -0.222261 -0.0810383 -0.0101594 9 PRO F CG +7629 C CD . PRO F 9 ? 0.955098 1.14384 1.20941 -0.192147 -0.0687592 -0.00333239 9 PRO F CD +7630 N N . MET F 10 ? 0.923822 1.03405 1.14023 -0.152827 -0.017331 -0.0265542 10 MET F N +7631 C CA . MET F 10 ? 0.958503 1.05197 1.17133 -0.144355 0.0004106 -0.025738 10 MET F CA +7632 C C . MET F 10 ? 0.960745 1.10109 1.2104 -0.126015 0.0212157 -0.0113058 10 MET F C +7633 O O . MET F 10 ? 1.13314 1.3273 1.42274 -0.131093 0.0213908 0.00640105 10 MET F O +7634 C CB . MET F 10 ? 1.11723 1.19381 1.32356 -0.175685 -0.00721541 -0.0170467 10 MET F CB +7635 C CG . MET F 10 ? 1.17724 1.23651 1.37801 -0.170385 0.011102 -0.0122138 10 MET F CG +7636 S SD . MET F 10 ? 1.16148 1.1524 1.3119 -0.145347 0.0157159 -0.0337546 10 MET F SD +7637 C CE . MET F 10 ? 1.18095 1.10847 1.28429 -0.170121 -0.00422312 -0.0435134 10 MET F CE +7638 N N . LEU F 11 ? 0.877963 0.994193 1.11054 -0.104889 0.0378713 -0.0173246 11 LEU F N +7639 C CA . LEU F 11 ? 0.877462 1.0157 1.12457 -0.0864463 0.0603001 -0.00566215 11 LEU F CA +7640 C C . LEU F 11 ? 1.03903 1.13564 1.25589 -0.0817756 0.0717112 -0.00813339 11 LEU F C +7641 O O . LEU F 11 ? 1.27798 1.33334 1.46424 -0.0754691 0.0642434 -0.0230205 11 LEU F O +7642 C CB . LEU F 11 ? 0.909914 1.05141 1.15259 -0.0617017 0.0649432 -0.0128872 11 LEU F CB +7643 C CG . LEU F 11 ? 0.984082 1.16818 1.25497 -0.060356 0.0576608 -0.00657072 11 LEU F CG +7644 C CD1 . LEU F 11 ? 1.19594 1.36716 1.45034 -0.0379236 0.0616689 -0.0164421 11 LEU F CD1 +7645 C CD2 . LEU F 11 ? 0.828716 1.06773 1.14245 -0.0596798 0.0697216 0.0184138 11 LEU F CD2 +7646 N N . VAL F 12 ? 1.12167 1.23027 1.3471 -0.0828988 0.0906236 0.00838876 12 VAL F N +7647 C CA . VAL F 12 ? 1.13997 1.20266 1.32715 -0.075902 0.102092 0.00651257 12 VAL F CA +7648 C C . VAL F 12 ? 1.19766 1.25327 1.36783 -0.0492456 0.121934 0.00875454 12 VAL F C +7649 O O . VAL F 12 ? 1.2334 1.3217 1.42437 -0.0392297 0.143569 0.024841 12 VAL F O +7650 C CB . VAL F 12 ? 1.18347 1.24319 1.3721 -0.0946265 0.11236 0.0217278 12 VAL F CB +7651 C CG1 . VAL F 12 ? 1.32382 1.32453 1.46128 -0.0866369 0.120157 0.0175979 12 VAL F CG1 +7652 C CG2 . VAL F 12 ? 1.16929 1.2289 1.3682 -0.125147 0.0907389 0.0203255 12 VAL F CG2 +7653 N N . ALA F 13 ? 1.23956 1.2497 1.36967 -0.0381555 0.114183 -0.0056733 13 ALA F N +7654 C CA . ALA F 13 ? 1.36737 1.35014 1.46283 -0.0178113 0.12805 -0.0057786 13 ALA F CA +7655 C C . ALA F 13 ? 1.47514 1.42322 1.5337 -0.0142704 0.148647 0.00442978 13 ALA F C +7656 O O . ALA F 13 ? 1.19185 1.10678 1.22611 -0.0247008 0.140267 0.0020355 13 ALA F O +7657 C CB . ALA F 13 ? 1.52011 1.46851 1.58772 -0.0144347 0.107441 -0.0216682 13 ALA F CB +7658 N N . TYR F 14 ? 1.66384 1.6158 1.71408 0.0032705 0.177954 0.0170194 14 TYR F N +7659 C CA . TYR F 14 ? 1.66585 1.57553 1.66906 0.0113607 0.203314 0.0270073 14 TYR F CA +7660 C C . TYR F 14 ? 1.8391 1.6928 1.77854 0.0344578 0.215491 0.0222765 14 TYR F C +7661 O O . TYR F 14 ? 1.96473 1.83326 1.91368 0.0497945 0.221258 0.0215247 14 TYR F O +7662 C CB . TYR F 14 ? 1.61299 1.57594 1.66161 0.0124881 0.233952 0.0509225 14 TYR F CB +7663 C CG . TYR F 14 ? 1.50956 1.51179 1.60568 -0.0169688 0.221771 0.0580658 14 TYR F CG +7664 C CD1 . TYR F 14 ? 1.44599 1.40475 1.50876 -0.0337238 0.214113 0.0550551 14 TYR F CD1 +7665 C CD2 . TYR F 14 ? 1.35691 1.43369 1.52502 -0.0290831 0.216543 0.0692183 14 TYR F CD2 +7666 C CE1 . TYR F 14 ? 1.40445 1.38828 1.5013 -0.0620672 0.204694 0.0626243 14 TYR F CE1 +7667 C CE2 . TYR F 14 ? 1.21313 1.31671 1.41567 -0.0606013 0.203561 0.0767771 14 TYR F CE2 +7668 C CZ . TYR F 14 ? 1.28465 1.339 1.44969 -0.0772069 0.199006 0.0731204 14 TYR F CZ +7669 O OH . TYR F 14 ? 1.12717 1.19943 1.31913 -0.110171 0.186521 0.0811616 14 TYR F OH +7670 N N . ASP F 15 ? 1.65097 1.43311 1.51789 0.0362484 0.219265 0.0201259 15 ASP F N +7671 C CA . ASP F 15 ? 1.66832 1.37672 1.4556 0.050834 0.221806 0.0128401 15 ASP F CA +7672 C C . ASP F 15 ? 1.56271 1.26721 1.3531 0.0423152 0.185527 -0.00384572 15 ASP F C +7673 O O . ASP F 15 ? 2.01807 1.68205 1.76381 0.052981 0.187085 -0.00880629 15 ASP F O +7674 C CB . ASP F 15 ? 1.95295 1.65261 1.71922 0.0802888 0.263183 0.0244021 15 ASP F CB +7675 C CG . ASP F 15 ? 2.20377 1.87149 1.92805 0.0956088 0.305463 0.0411172 15 ASP F CG +7676 O OD1 . ASP F 15 ? 2.05193 1.74959 1.80855 0.0809878 0.309424 0.0506847 15 ASP F OD1 +7677 O OD2 . ASP F 15 ? 2.13143 1.738 1.7848 0.122275 0.335531 0.0447665 15 ASP F OD2 +7678 N N . ASN F 16 ? 1.29269 1.03419 1.13118 0.0232531 0.154969 -0.011125 16 ASN F N +7679 C CA . ASN F 16 ? 1.22656 0.971646 1.07615 0.013548 0.121414 -0.0238991 16 ASN F CA +7680 C C . ASN F 16 ? 1.26261 1.04622 1.14822 0.0212143 0.125243 -0.0264403 16 ASN F C +7681 O O . ASN F 16 ? 1.46903 1.24428 1.35 0.0155236 0.104127 -0.0349418 16 ASN F O +7682 C CB . ASN F 16 ? 1.26783 0.941464 1.04563 0.00839899 0.101224 -0.0294361 16 ASN F CB +7683 C CG . ASN F 16 ? 1.42605 1.06606 1.17305 -0.0001564 0.0908915 -0.0263586 16 ASN F CG +7684 O OD1 . ASN F 16 ? 1.44681 1.02623 1.12472 0.00563602 0.105818 -0.0215832 16 ASN F OD1 +7685 N ND2 . ASN F 16 ? 1.51992 1.19484 1.31329 -0.0108615 0.0700555 -0.0278576 16 ASN F ND2 +7686 N N . ALA F 17 ? 1.27168 1.10329 1.19942 0.0316224 0.148776 -0.0172693 17 ALA F N +7687 C CA . ALA F 17 ? 1.39771 1.2607 1.3527 0.0420238 0.153114 -0.0173397 17 ALA F CA +7688 C C . ALA F 17 ? 1.37618 1.31499 1.40521 0.038295 0.155674 -0.00983851 17 ALA F C +7689 O O . ALA F 17 ? 1.57041 1.53356 1.62355 0.0313482 0.16424 -0.0002418 17 ALA F O +7690 C CB . ALA F 17 ? 1.46539 1.28983 1.37259 0.0667164 0.182518 -0.00985749 17 ALA F CB +7691 N N . VAL F 18 ? 1.26086 1.23118 1.31944 0.0410018 0.147207 -0.0130675 18 VAL F N +7692 C CA . VAL F 18 ? 1.09422 1.12988 1.21438 0.0353623 0.142768 -0.00684294 18 VAL F CA +7693 C C . VAL F 18 ? 1.02299 1.07698 1.15458 0.0487496 0.143141 -0.00590741 18 VAL F C +7694 O O . VAL F 18 ? 0.944281 0.957543 1.03714 0.0564654 0.141371 -0.0141876 18 VAL F O +7695 C CB . VAL F 18 ? 1.12067 1.16287 1.25749 0.0124295 0.116085 -0.0189147 18 VAL F CB +7696 C CG1 . VAL F 18 ? 1.07488 1.10203 1.20131 0.0106834 0.0980577 -0.0330732 18 VAL F CG1 +7697 C CG2 . VAL F 18 ? 1.14467 1.23751 1.32988 -0.00173626 0.108395 -0.0127984 18 VAL F CG2 +7698 N N . ASN F 19 ? 1.02856 1.14137 1.21114 0.0480734 0.141507 0.00476917 19 ASN F N +7699 C CA . ASN F 19 ? 0.90456 1.03752 1.09965 0.0601586 0.138598 0.00731981 19 ASN F CA +7700 C C . ASN F 19 ? 0.919452 1.08858 1.14875 0.0406587 0.113268 0.00248696 19 ASN F C +7701 O O . ASN F 19 ? 1.21501 1.42956 1.48439 0.0286234 0.106496 0.0133332 19 ASN F O +7702 C CB . ASN F 19 ? 0.86751 1.03521 1.08569 0.0852285 0.161369 0.029605 19 ASN F CB +7703 C CG . ASN F 19 ? 1.02628 1.14681 1.19807 0.110343 0.191858 0.0347509 19 ASN F CG +7704 O OD1 . ASN F 19 ? 1.07317 1.12931 1.18896 0.105896 0.189734 0.0194601 19 ASN F OD1 +7705 N ND2 . ASN F 19 ? 1.11945 1.26832 1.31053 0.13702 0.220231 0.0574642 19 ASN F ND2 +7706 N N . LEU F 20 ? 0.919924 1.06488 1.12881 0.0365807 0.099487 -0.0127164 20 LEU F N +7707 C CA . LEU F 20 ? 0.797198 0.958278 1.02063 0.0206068 0.0784675 -0.0205151 20 LEU F CA +7708 C C . LEU F 20 ? 0.915498 1.09576 1.14583 0.0319089 0.0759806 -0.0141916 20 LEU F C +7709 O O . LEU F 20 ? 1.12396 1.27678 1.32803 0.0404831 0.0778216 -0.0212427 20 LEU F O +7710 C CB . LEU F 20 ? 0.872097 0.993433 1.06739 0.0142775 0.071552 -0.0377627 20 LEU F CB +7711 C CG . LEU F 20 ? 0.865041 0.983958 1.06375 -0.00186973 0.0564004 -0.048602 20 LEU F CG +7712 C CD1 . LEU F 20 ? 0.949221 1.08828 1.15769 -0.00821832 0.0451111 -0.048214 20 LEU F CD1 +7713 C CD2 . LEU F 20 ? 1.09416 1.21163 1.2989 -0.0122183 0.0559162 -0.046492 20 LEU F CD2 +7714 N N . SER F 21 ? 0.868178 1.09574 1.13381 0.0301333 0.0698433 0.00106729 21 SER F N +7715 C CA . SER F 21 ? 0.885832 1.13276 1.15767 0.0389296 0.061615 0.00822187 21 SER F CA +7716 C C . SER F 21 ? 0.911317 1.15125 1.17285 0.0178425 0.0378535 -0.00399252 21 SER F C +7717 O O . SER F 21 ? 0.844746 1.09478 1.11699 -0.00392179 0.0235007 -0.00543589 21 SER F O +7718 C CB . SER F 21 ? 0.908334 1.21204 1.2239 0.049102 0.0637368 0.0338761 21 SER F CB +7719 O OG . SER F 21 ? 1.20055 1.54325 1.55027 0.0226617 0.0439048 0.0413404 21 SER F OG +7720 N N . CYS F 22 ? 0.940136 1.15565 1.17391 0.0243384 0.0354346 -0.012326 22 CYS F N +7721 C CA . CYS F 22 ? 0.887518 1.08873 1.10161 0.00937399 0.0183393 -0.022947 22 CYS F CA +7722 C C . CYS F 22 ? 0.896718 1.1194 1.1134 0.0140752 0.00481614 -0.0106011 22 CYS F C +7723 O O . CYS F 22 ? 1.01065 1.22647 1.21649 0.0332678 0.0138384 -0.00573714 22 CYS F O +7724 C CB . CYS F 22 ? 0.965932 1.12508 1.14695 0.01256 0.0276701 -0.0389605 22 CYS F CB +7725 S SG . CYS F 22 ? 0.900775 1.03772 1.08083 0.00996603 0.040283 -0.049344 22 CYS F SG +7726 N N . LYS F 23 ? 0.954043 1.19801 1.18075 -0.00486737 -0.0188298 -0.00463063 23 LYS F N +7727 C CA . LYS F 23 ? 1.04863 1.3207 1.28327 -0.00283463 -0.0378674 0.0116204 23 LYS F CA +7728 C C . LYS F 23 ? 1.03803 1.26711 1.22021 -0.0109573 -0.0508987 -0.00170275 23 LYS F C +7729 O O . LYS F 23 ? 1.12305 1.32306 1.27749 -0.0318103 -0.0621592 -0.0147585 23 LYS F O +7730 C CB . LYS F 23 ? 1.08912 1.41746 1.37054 -0.019882 -0.0591681 0.0325162 23 LYS F CB +7731 C CG . LYS F 23 ? 1.26103 1.63311 1.59392 -0.00460075 -0.0375137 0.0492124 23 LYS F CG +7732 C CD . LYS F 23 ? 1.38034 1.82859 1.77461 0.00060387 -0.0472677 0.0828488 23 LYS F CD +7733 C CE . LYS F 23 ? 1.32389 1.80797 1.76097 0.025467 -0.0155541 0.100291 23 LYS F CE +7734 N NZ . LYS F 23 ? 1.21035 1.69225 1.65876 0.00704121 -0.00570494 0.0949739 23 LYS F NZ +7735 N N . TYR F 24 ? 1.00573 1.22526 1.16877 0.00726939 -0.0472338 0.00268832 24 TYR F N +7736 C CA . TYR F 24 ? 1.00856 1.18448 1.11721 0.00300963 -0.0546282 -0.00773224 24 TYR F CA +7737 C C . TYR F 24 ? 1.11482 1.30828 1.21659 -0.00354856 -0.0860179 0.00794669 24 TYR F C +7738 O O . TYR F 24 ? 1.41036 1.65827 1.5583 0.00056627 -0.0997308 0.0303765 24 TYR F O +7739 C CB . TYR F 24 ? 0.976792 1.12371 1.06311 0.0239166 -0.0295207 -0.0128815 24 TYR F CB +7740 C CG . TYR F 24 ? 1.09277 1.2261 1.18841 0.0265149 -0.00467465 -0.025204 24 TYR F CG +7741 C CD1 . TYR F 24 ? 1.02665 1.13364 1.10588 0.0138902 0.00138817 -0.0420478 24 TYR F CD1 +7742 C CD2 . TYR F 24 ? 1.26013 1.4032 1.37665 0.0429619 0.0120111 -0.0184563 24 TYR F CD2 +7743 C CE1 . TYR F 24 ? 1.13272 1.23257 1.22439 0.0157029 0.019437 -0.0500444 24 TYR F CE1 +7744 C CE2 . TYR F 24 ? 1.41375 1.53961 1.53205 0.0419107 0.0292615 -0.0287553 24 TYR F CE2 +7745 C CZ . TYR F 24 ? 1.41069 1.52003 1.5213 0.0272949 0.0309353 -0.0435768 24 TYR F CZ +7746 O OH . TYR F 24 ? 1.2072 1.30548 1.32437 0.0253585 0.0433383 -0.0507962 24 TYR F OH +7747 N N . SER F 25 ? 1.16708 1.31356 1.20925 -0.0131358 -0.09711 -0.00224192 25 SER F N +7748 C CA . SER F 25 ? 1.16971 1.32099 1.19104 -0.0207133 -0.130362 0.0117667 25 SER F CA +7749 C C . SER F 25 ? 1.16872 1.30018 1.16068 0.00332016 -0.120333 0.0171343 25 SER F C +7750 O O . SER F 25 ? 1.4199 1.51025 1.35276 -0.00213744 -0.134019 0.0143621 25 SER F O +7751 C CB . SER F 25 ? 1.21653 1.3186 1.17786 -0.0495474 -0.153567 -0.0013365 25 SER F CB +7752 O OG . SER F 25 ? 1.19149 1.22411 1.08435 -0.0435832 -0.132119 -0.0216317 25 SER F OG +7753 N N . TYR F 26 ? 1.06046 1.21184 1.0846 0.0295457 -0.095614 0.0246072 26 TYR F N +7754 C CA . TYR F 26 ? 1.10875 1.22686 1.09649 0.0506263 -0.0804156 0.0264788 26 TYR F CA +7755 C C . TYR F 26 ? 1.08621 1.22903 1.11113 0.0789449 -0.0605557 0.0401265 26 TYR F C +7756 O O . TYR F 26 ? 1.0544 1.21956 1.11898 0.0821396 -0.0448685 0.0381567 26 TYR F O +7757 C CB . TYR F 26 ? 1.1805 1.24165 1.12212 0.0442825 -0.0551741 0.00328793 26 TYR F CB +7758 C CG . TYR F 26 ? 1.2187 1.22957 1.09852 0.0510927 -0.047711 0.00195294 26 TYR F CG +7759 C CD1 . TYR F 26 ? 1.22577 1.21996 1.06288 0.048338 -0.0734001 0.0106647 26 TYR F CD1 +7760 C CD2 . TYR F 26 ? 1.24749 1.22646 1.11028 0.0577197 -0.0158814 -0.0064668 26 TYR F CD2 +7761 C CE1 . TYR F 26 ? 1.29711 1.23903 1.07094 0.0541643 -0.0637005 0.00931741 26 TYR F CE1 +7762 C CE2 . TYR F 26 ? 1.27601 1.20932 1.0835 0.0616385 -0.00581278 -0.00601052 26 TYR F CE2 +7763 C CZ . TYR F 26 ? 1.33001 1.24238 1.09048 0.061274 -0.0277428 0.00133165 26 TYR F CZ +7764 O OH . TYR F 26 ? 1.35267 1.21498 1.05481 0.0656909 -0.0127526 0.00192213 26 TYR F OH +7765 N N . ASN F 27 ? 1.14129 1.26977 1.14326 0.100751 -0.0596401 0.0535483 27 ASN F N +7766 C CA . ASN F 27 ? 1.25478 1.39667 1.28011 0.13215 -0.0419453 0.0692641 27 ASN F CA +7767 C C . ASN F 27 ? 1.22936 1.3183 1.22411 0.136591 -0.00889341 0.053098 27 ASN F C +7768 O O . ASN F 27 ? 1.42716 1.46684 1.37131 0.134408 -0.00223701 0.0464544 27 ASN F O +7769 C CB . ASN F 27 ? 1.40854 1.55083 1.41705 0.155767 -0.0553236 0.0920091 27 ASN F CB +7770 C CG . ASN F 27 ? 1.4937 1.66939 1.54178 0.192299 -0.0429182 0.115764 27 ASN F CG +7771 O OD1 . ASN F 27 ? 1.46451 1.60635 1.48069 0.220496 -0.0308907 0.126037 27 ASN F OD1 +7772 N ND2 . ASN F 27 ? 1.56358 1.80252 1.67759 0.194005 -0.0440765 0.126649 27 ASN F ND2 +7773 N N . LEU F 28 ? 1.23588 1.33385 1.25901 0.140055 0.00997227 0.048262 28 LEU F N +7774 C CA . LEU F 28 ? 1.33568 1.38371 1.33004 0.138481 0.0355091 0.0341057 28 LEU F CA +7775 C C . LEU F 28 ? 1.33343 1.34676 1.3015 0.167726 0.0526406 0.0462175 28 LEU F C +7776 O O . LEU F 28 ? 1.10453 1.06772 1.04015 0.165039 0.0708277 0.0370884 28 LEU F O +7777 C CB . LEU F 28 ? 1.36423 1.42627 1.38886 0.12639 0.0450657 0.0224559 28 LEU F CB +7778 C CG . LEU F 28 ? 1.26095 1.35318 1.31164 0.101064 0.030762 0.0115113 28 LEU F CG +7779 C CD1 . LEU F 28 ? 1.2635 1.3657 1.3413 0.0947827 0.0417663 0.00369998 28 LEU F CD1 +7780 C CD2 . LEU F 28 ? 1.2181 1.27784 1.23265 0.0832739 0.0290658 -0.00240304 28 LEU F CD2 +7781 N N . PHE F 29 ? 1.30724 1.34667 1.28984 0.196049 0.0465231 0.0685309 29 PHE F N +7782 C CA . PHE F 29 ? 1.36084 1.36032 1.31181 0.229816 0.0649504 0.0816797 29 PHE F CA +7783 C C . PHE F 29 ? 1.49073 1.42699 1.37765 0.226327 0.0654253 0.0781632 29 PHE F C +7784 O O . PHE F 29 ? 1.59243 1.53873 1.47126 0.216911 0.0462722 0.0806035 29 PHE F O +7785 C CB . PHE F 29 ? 1.34894 1.40235 1.34088 0.264727 0.0593973 0.110395 29 PHE F CB +7786 C CG . PHE F 29 ? 1.30681 1.40249 1.34825 0.282114 0.0753236 0.120118 29 PHE F CG +7787 C CD1 . PHE F 29 ? 1.19182 1.25756 1.22235 0.271927 0.0959606 0.102734 29 PHE F CD1 +7788 C CD2 . PHE F 29 ? 1.35644 1.51993 1.45276 0.311895 0.0713929 0.150338 29 PHE F CD2 +7789 C CE1 . PHE F 29 ? 1.23205 1.32957 1.29925 0.290152 0.113688 0.112994 29 PHE F CE1 +7790 C CE2 . PHE F 29 ? 1.30108 1.50417 1.44283 0.331048 0.0917953 0.162776 29 PHE F CE2 +7791 C CZ . PHE F 29 ? 1.28588 1.45239 1.40915 0.320069 0.114002 0.142965 29 PHE F CZ +7792 N N . SER F 30 ? 1.50716 1.37327 1.34348 0.231125 0.0868592 0.0726435 30 SER F N +7793 C CA . SER F 30 ? 1.48364 1.28231 1.2557 0.224836 0.0911 0.0706202 30 SER F CA +7794 C C . SER F 30 ? 1.4155 1.21977 1.18609 0.187057 0.0820764 0.0552666 30 SER F C +7795 O O . SER F 30 ? 1.5366 1.32956 1.28054 0.184746 0.0730912 0.0598798 30 SER F O +7796 C CB . SER F 30 ? 1.45746 1.24426 1.20427 0.256959 0.0848804 0.092149 30 SER F CB +7797 O OG . SER F 30 ? 1.4723 1.22533 1.19788 0.295317 0.10275 0.10615 30 SER F OG +7798 N N . ARG F 31 ? 1.2777 1.09809 1.0749 0.160513 0.0858677 0.0385892 31 ARG F N +7799 C CA . ARG F 31 ? 1.27971 1.10628 1.07837 0.129776 0.0830927 0.025708 31 ARG F CA +7800 C C . ARG F 31 ? 1.27079 1.07502 1.06864 0.105886 0.0966483 0.0138448 31 ARG F C +7801 O O . ARG F 31 ? 1.32817 1.13071 1.13903 0.108354 0.100993 0.0111007 31 ARG F O +7802 C CB . ARG F 31 ? 1.20161 1.08547 1.04247 0.119671 0.0673453 0.0194551 31 ARG F CB +7803 C CG . ARG F 31 ? 1.29882 1.19134 1.12284 0.127822 0.0491478 0.0291421 31 ARG F CG +7804 C CD . ARG F 31 ? 1.34835 1.26733 1.18398 0.10851 0.0349838 0.0193368 31 ARG F CD +7805 N NE . ARG F 31 ? 1.50797 1.44871 1.34061 0.116185 0.00767052 0.0314783 31 ARG F NE +7806 C CZ . ARG F 31 ? 1.76217 1.67591 1.54695 0.112503 -0.00377142 0.034083 31 ARG F CZ +7807 N NH1 . ARG F 31 ? 1.88939 1.75445 1.62666 0.103373 0.0150364 0.0256705 31 ARG F NH1 +7808 N NH2 . ARG F 31 ? 1.88618 1.82221 1.67024 0.116454 -0.0346152 0.0468399 31 ARG F NH2 +7809 N N . GLU F 32 ? 1.25613 1.04267 1.03639 0.0834143 0.103155 0.00947206 32 GLU F N +7810 C CA . GLU F 32 ? 1.22042 1.00324 1.01378 0.0561864 0.112183 0.00158215 32 GLU F CA +7811 C C . GLU F 32 ? 1.17246 1.00975 1.0149 0.0466619 0.107759 -0.00862364 32 GLU F C +7812 O O . GLU F 32 ? 1.15437 1.00466 0.99463 0.0443173 0.108078 -0.0104586 32 GLU F O +7813 C CB . GLU F 32 ? 1.29519 1.03997 1.05214 0.0388169 0.123999 0.00686727 32 GLU F CB +7814 C CG . GLU F 32 ? 1.40728 1.1195 1.15476 0.0144674 0.13048 0.00826457 32 GLU F CG +7815 C CD . GLU F 32 ? 1.49477 1.13827 1.18609 0.0227453 0.131262 0.0150907 32 GLU F CD +7816 O OE1 . GLU F 32 ? 1.60721 1.22464 1.26286 0.0490704 0.131405 0.0221172 32 GLU F OE1 +7817 O OE2 . GLU F 32 ? 1.49281 1.10329 1.17073 0.00262441 0.130842 0.0144989 32 GLU F OE2 +7818 N N . PHE F 33 ? 1.20469 1.06508 1.0824 0.0426318 0.104249 -0.0150275 33 PHE F N +7819 C CA . PHE F 33 ? 1.18019 1.08575 1.10052 0.0358644 0.0998154 -0.0241489 33 PHE F CA +7820 C C . PHE F 33 ? 1.12679 1.04118 1.07479 0.0194662 0.101882 -0.0290541 33 PHE F C +7821 O O . PHE F 33 ? 1.14391 1.02945 1.077 0.0127632 0.102838 -0.0261623 33 PHE F O +7822 C CB . PHE F 33 ? 1.18778 1.1244 1.12807 0.0517027 0.0866134 -0.0248391 33 PHE F CB +7823 C CG . PHE F 33 ? 1.14853 1.08806 1.10051 0.0645569 0.0847144 -0.0212007 33 PHE F CG +7824 C CD1 . PHE F 33 ? 1.06034 1.01003 1.03651 0.0559417 0.0859227 -0.0277411 33 PHE F CD1 +7825 C CD2 . PHE F 33 ? 1.17858 1.10931 1.11524 0.0879594 0.0835961 -0.0095213 33 PHE F CD2 +7826 C CE1 . PHE F 33 ? 1.06572 1.01018 1.04333 0.0690466 0.0883094 -0.0240683 33 PHE F CE1 +7827 C CE2 . PHE F 33 ? 1.18611 1.11659 1.13031 0.10404 0.0884449 -0.00451159 33 PHE F CE2 +7828 C CZ . PHE F 33 ? 1.1516 1.08626 1.11309 0.0939931 0.0917727 -0.0124676 33 PHE F CZ +7829 N N . ARG F 34 ? 1.08776 1.03718 1.07076 0.0131316 0.100869 -0.036005 34 ARG F N +7830 C CA . ARG F 34 ? 0.97941 0.945118 0.994199 0.00060267 0.0991423 -0.0393858 34 ARG F CA +7831 C C . ARG F 34 ? 0.977088 0.973546 1.01979 0.0074099 0.0923081 -0.0471658 34 ARG F C +7832 O O . ARG F 34 ? 0.970467 0.98293 1.02302 0.00790466 0.0954856 -0.0513874 34 ARG F O +7833 C CB . ARG F 34 ? 1.06126 1.03889 1.09349 -0.0155407 0.109251 -0.0356767 34 ARG F CB +7834 C CG . ARG F 34 ? 1.06738 1.06422 1.13488 -0.0293921 0.103389 -0.0349136 34 ARG F CG +7835 C CD . ARG F 34 ? 1.08948 1.12161 1.19348 -0.0334958 0.114462 -0.0314003 34 ARG F CD +7836 N NE . ARG F 34 ? 1.04465 1.09176 1.17864 -0.0541699 0.109022 -0.02137 34 ARG F NE +7837 C CZ . ARG F 34 ? 1.0574 1.13178 1.22815 -0.0571485 0.100412 -0.0207037 34 ARG F CZ +7838 N NH1 . ARG F 34 ? 0.874871 0.960105 1.05407 -0.0402443 0.0992604 -0.0307118 34 ARG F NH1 +7839 N NH2 . ARG F 34 ? 1.40224 1.49068 1.59884 -0.0792043 0.0908473 -0.00844701 34 ARG F NH2 +7840 N N . ALA F 35 ? 0.976866 0.974946 1.02623 0.0127741 0.0847603 -0.0484366 35 ALA F N +7841 C CA . ALA F 35 ? 0.919264 0.943176 0.99374 0.0159965 0.0780626 -0.053976 35 ALA F CA +7842 C C . ALA F 35 ? 0.8926 0.924572 0.990216 0.00518283 0.0767181 -0.0573312 35 ALA F C +7843 O O . ALA F 35 ? 0.80552 0.822637 0.898777 -0.0042483 0.0763495 -0.0540006 35 ALA F O +7844 C CB . ALA F 35 ? 0.983414 1.00973 1.05577 0.0289339 0.0738448 -0.0498586 35 ALA F CB +7845 N N . SER F 36 ? 0.9278 0.979329 1.04608 0.00531128 0.0738262 -0.0628647 36 SER F N +7846 C CA . SER F 36 ? 0.851364 0.912605 0.992794 -0.00149923 0.0721977 -0.064303 36 SER F CA +7847 C C . SER F 36 ? 0.899742 0.968839 1.05093 0.00182185 0.0658967 -0.0694037 36 SER F C +7848 O O . SER F 36 ? 1.09423 1.16696 1.23978 0.00564426 0.0634666 -0.0724768 36 SER F O +7849 C CB . SER F 36 ? 0.804076 0.877806 0.960446 -0.00298553 0.0813073 -0.0631003 36 SER F CB +7850 O OG . SER F 36 ? 0.976364 1.0459 1.12585 -0.00840387 0.0895793 -0.056232 36 SER F OG +7851 N N . LEU F 37 ? 0.931013 1.00076 1.09503 -0.00258589 0.0611359 -0.0688565 37 LEU F N +7852 C CA . LEU F 37 ? 0.767091 0.840448 0.93995 -0.00135818 0.0564258 -0.0726175 37 LEU F CA +7853 C C . LEU F 37 ? 0.808335 0.889069 1.00032 -0.00195762 0.0563739 -0.0715594 37 LEU F C +7854 O O . LEU F 37 ? 0.709941 0.794509 0.912697 -0.00812901 0.0524484 -0.065134 37 LEU F O +7855 C CB . LEU F 37 ? 0.769119 0.832103 0.934326 -0.00260675 0.0521091 -0.0702792 37 LEU F CB +7856 C CG . LEU F 37 ? 0.768542 0.834515 0.938199 -0.00225629 0.0496325 -0.0720166 37 LEU F CG +7857 C CD1 . LEU F 37 ? 0.840745 0.919823 1.01141 -0.00072001 0.0501742 -0.07198 37 LEU F CD1 +7858 C CD2 . LEU F 37 ? 0.911006 0.962366 1.06856 -0.00179144 0.0503722 -0.067798 37 LEU F CD2 +7859 N N . HIS F 38 ? 0.876196 0.956923 1.0701 0.0044623 0.0601468 -0.0761844 38 HIS F N +7860 C CA . HIS F 38 ? 0.828552 0.915751 1.0408 0.0110065 0.0633678 -0.0733458 38 HIS F CA +7861 C C . HIS F 38 ? 0.885801 0.959061 1.09323 0.0127757 0.0564441 -0.0768604 38 HIS F C +7862 O O . HIS F 38 ? 0.867275 0.924739 1.05497 0.0100889 0.0544123 -0.0834532 38 HIS F O +7863 C CB . HIS F 38 ? 0.851693 0.938061 1.0592 0.0218881 0.0791599 -0.0747618 38 HIS F CB +7864 C CG . HIS F 38 ? 0.990247 1.09331 1.20872 0.0201415 0.088581 -0.0674227 38 HIS F CG +7865 N ND1 . HIS F 38 ? 1.26452 1.38559 1.50524 0.0300748 0.104382 -0.0587568 38 HIS F ND1 +7866 C CD2 . HIS F 38 ? 1.17611 1.27995 1.3869 0.0104907 0.0865496 -0.0652551 38 HIS F CD2 +7867 C CE1 . HIS F 38 ? 1.37702 1.51186 1.62535 0.0225823 0.110881 -0.0511656 38 HIS F CE1 +7868 N NE2 . HIS F 38 ? 1.35111 1.47098 1.57716 0.0104564 0.0993689 -0.0560593 38 HIS F NE2 +7869 N N . LYS F 39 ? 0.817714 0.89713 1.04342 0.0150502 0.0506408 -0.0703425 39 LYS F N +7870 C CA . LYS F 39 ? 0.732677 0.794358 0.950552 0.0173857 0.0442172 -0.0719543 39 LYS F CA +7871 C C . LYS F 39 ? 0.751826 0.811445 0.978693 0.0346037 0.0525319 -0.0693451 39 LYS F C +7872 O O . LYS F 39 ? 0.790646 0.876255 1.04639 0.0433509 0.0582545 -0.0597932 39 LYS F O +7873 C CB . LYS F 39 ? 0.747712 0.809538 0.969933 0.00912744 0.0300829 -0.0653697 39 LYS F CB +7874 C CG . LYS F 39 ? 0.804987 0.846615 1.01721 0.0111904 0.0225022 -0.0643273 39 LYS F CG +7875 C CD . LYS F 39 ? 0.765982 0.805943 0.980061 0.00477921 0.00640896 -0.0553139 39 LYS F CD +7876 C CE . LYS F 39 ? 0.981862 1.01938 1.20653 0.0148607 -0.00194358 -0.0475701 39 LYS F CE +7877 N NZ . LYS F 39 ? 1.16287 1.16615 1.35902 0.0151726 -0.00460088 -0.0503353 39 LYS F NZ +7878 N N . GLY F 40 ? 0.824895 0.85225 1.02573 0.0396155 0.0547614 -0.0762895 40 GLY F N +7879 C CA . GLY F 40 ? 0.885159 0.897066 1.08387 0.0604201 0.0642337 -0.0736258 40 GLY F CA +7880 C C . GLY F 40 ? 0.927678 0.906665 1.09082 0.0700663 0.0801285 -0.0830475 40 GLY F C +7881 O O . GLY F 40 ? 0.966699 0.950715 1.12115 0.0652286 0.0865066 -0.0875587 40 GLY F O +7882 N N . LEU F 41 ? 1.13217 1.07005 1.2679 0.0850466 0.0863711 -0.0852803 41 LEU F N +7883 C CA . LEU F 41 ? 1.20735 1.09613 1.2934 0.0960499 0.101923 -0.0947205 41 LEU F CA +7884 C C . LEU F 41 ? 1.26113 1.16963 1.36359 0.121516 0.126888 -0.0875923 41 LEU F C +7885 O O . LEU F 41 ? 1.56525 1.44397 1.62786 0.124775 0.140157 -0.0956452 41 LEU F O +7886 C CB . LEU F 41 ? 1.20317 1.02877 1.2434 0.105318 0.102998 -0.0993052 41 LEU F CB +7887 C CG . LEU F 41 ? 1.07761 0.865065 1.07963 0.0749174 0.0831354 -0.109037 41 LEU F CG +7888 C CD1 . LEU F 41 ? 1.18524 0.899308 1.13303 0.0833905 0.0857628 -0.11318 41 LEU F CD1 +7889 C CD2 . LEU F 41 ? 1.05182 0.828799 1.02525 0.0533691 0.0773775 -0.118755 41 LEU F CD2 +7890 N N . ASP F 42 ? 1.2425 1.20208 1.40285 0.137273 0.132366 -0.0707853 42 ASP F N +7891 C CA . ASP F 42 ? 1.54558 1.54099 1.73674 0.156725 0.156515 -0.0590494 42 ASP F CA +7892 C C . ASP F 42 ? 2.02522 2.06552 2.2446 0.134186 0.150689 -0.0568503 42 ASP F C +7893 O O . ASP F 42 ? 2.00624 2.08634 2.26185 0.144535 0.168042 -0.0433146 42 ASP F O +7894 C CB . ASP F 42 ? 1.57196 1.6099 1.8199 0.181962 0.163769 -0.0373277 42 ASP F CB +7895 C CG . ASP F 42 ? 1.68141 1.76595 1.98011 0.163228 0.13384 -0.0262868 42 ASP F CG +7896 O OD1 . ASP F 42 ? 1.71433 1.78711 1.99528 0.134191 0.110938 -0.0375762 42 ASP F OD1 +7897 O OD2 . ASP F 42 ? 1.87892 2.01126 2.23355 0.17804 0.133753 -0.00479076 42 ASP F OD2 +7898 N N . SER F 43 ? 2.44294 2.47717 2.64714 0.105305 0.128428 -0.0675521 43 SER F N +7899 C CA . SER F 43 ? 1.99287 2.05704 2.21296 0.0845168 0.120605 -0.0665884 43 SER F CA +7900 C C . SER F 43 ? 1.78848 1.90852 2.0664 0.0827719 0.121533 -0.0485435 43 SER F C +7901 O O . SER F 43 ? 1.59996 1.73733 1.88455 0.0724706 0.125974 -0.0455975 43 SER F O +7902 C CB . SER F 43 ? 1.69372 1.73346 1.87337 0.0831127 0.132761 -0.0758755 43 SER F CB +7903 O OG . SER F 43 ? 1.63039 1.62936 1.76357 0.0705162 0.119013 -0.0902992 43 SER F OG +7904 N N . ALA F 44 ? 1.6377 1.78415 1.95533 0.0894501 0.11382 -0.0351982 44 ALA F N +7905 C CA . ALA F 44 ? 1.51782 1.72106 1.89456 0.0844297 0.110513 -0.0142282 44 ALA F CA +7906 C C . ALA F 44 ? 1.37497 1.58596 1.75293 0.0525579 0.0867659 -0.0150359 44 ALA F C +7907 O O . ALA F 44 ? 1.57009 1.799 1.95832 0.0400511 0.0913962 -0.00969644 44 ALA F O +7908 C CB . ALA F 44 ? 1.43057 1.65995 1.84815 0.0999041 0.104003 0.00239118 44 ALA F CB +7909 N N . VAL F 45 ? 1.15162 1.34154 1.51174 0.0405643 0.0636726 -0.0214697 45 VAL F N +7910 C CA . VAL F 45 ? 1.07504 1.2635 1.4299 0.014629 0.0419179 -0.0200053 45 VAL F CA +7911 C C . VAL F 45 ? 0.98183 1.14329 1.29753 0.00482378 0.0471297 -0.0338443 45 VAL F C +7912 O O . VAL F 45 ? 0.864347 0.999293 1.1491 0.0115982 0.0532862 -0.0473833 45 VAL F O +7913 C CB . VAL F 45 ? 1.08495 1.25347 1.42613 0.0087987 0.0195643 -0.020975 45 VAL F CB +7914 C CG1 . VAL F 45 ? 1.1758 1.32076 1.48733 -0.0146388 0.00236806 -0.0243125 45 VAL F CG1 +7915 C CG2 . VAL F 45 ? 1.13472 1.3351 1.51869 0.0156073 0.00772538 -0.00241075 45 VAL F CG2 +7916 N N . GLU F 46 ? 0.908435 1.07646 1.22601 -0.0125543 0.0422462 -0.0280614 46 GLU F N +7917 C CA . GLU F 46 ? 0.870317 1.01107 1.15036 -0.0200037 0.0451359 -0.037817 46 GLU F CA +7918 C C . GLU F 46 ? 0.884802 0.996575 1.13693 -0.0334913 0.0270064 -0.0399574 46 GLU F C +7919 O O . GLU F 46 ? 0.952272 1.06155 1.20549 -0.0508633 0.0129668 -0.031001 46 GLU F O +7920 C CB . GLU F 46 ? 0.915354 1.06867 1.20289 -0.0281281 0.0548633 -0.0304079 46 GLU F CB +7921 C CG . GLU F 46 ? 1.01167 1.13389 1.25748 -0.0310126 0.059143 -0.0392339 46 GLU F CG +7922 C CD . GLU F 46 ? 1.06342 1.19243 1.30915 -0.0330766 0.0744167 -0.0339799 46 GLU F CD +7923 O OE1 . GLU F 46 ? 1.18659 1.33215 1.45405 -0.0486118 0.0720307 -0.020591 46 GLU F OE1 +7924 O OE2 . GLU F 46 ? 1.05189 1.16993 1.27582 -0.021427 0.0873851 -0.041353 46 GLU F OE2 +7925 N N . VAL F 47 ? 0.873955 0.961354 1.09801 -0.0263068 0.0282816 -0.050551 47 VAL F N +7926 C CA . VAL F 47 ? 1.02349 1.07892 1.21581 -0.0328746 0.0176686 -0.0523122 47 VAL F CA +7927 C C . VAL F 47 ? 1.07571 1.10378 1.2352 -0.0408727 0.0186012 -0.0519934 47 VAL F C +7928 O O . VAL F 47 ? 1.18766 1.18393 1.31817 -0.0526408 0.00670111 -0.0489577 47 VAL F O +7929 C CB . VAL F 47 ? 1.14181 1.18732 1.32101 -0.0215422 0.0245163 -0.0603541 47 VAL F CB +7930 C CG1 . VAL F 47 ? 1.16424 1.17632 1.30678 -0.022825 0.0234398 -0.0612412 47 VAL F CG1 +7931 C CG2 . VAL F 47 ? 1.22767 1.28345 1.42542 -0.0156686 0.0214623 -0.0606361 47 VAL F CG2 +7932 N N . CYS F 48 ? 1.0527 1.08414 1.20739 -0.0333651 0.0322727 -0.0552793 48 CYS F N +7933 C CA . CYS F 48 ? 1.06119 1.05947 1.17779 -0.034082 0.0362248 -0.0551704 48 CYS F CA +7934 C C . CYS F 48 ? 1.00845 1.01749 1.12876 -0.0304636 0.0469351 -0.0544285 48 CYS F C +7935 O O . CYS F 48 ? 0.992843 1.02893 1.13467 -0.0218922 0.0541606 -0.0572833 48 CYS F O +7936 C CB . CYS F 48 ? 1.14737 1.12649 1.23901 -0.0196075 0.0438784 -0.0588501 48 CYS F CB +7937 S SG . CYS F 48 ? 1.29814 1.21895 1.33004 -0.0165117 0.0491763 -0.0562502 48 CYS F SG +7938 N N . VAL F 49 ? 1.151 1.12945 1.24104 -0.0379058 0.047268 -0.0505298 49 VAL F N +7939 C CA . VAL F 49 ? 1.19091 1.17039 1.27559 -0.0360145 0.0570387 -0.0481152 49 VAL F CA +7940 C C . VAL F 49 ? 1.10662 1.03988 1.14213 -0.027945 0.0618508 -0.0473314 49 VAL F C +7941 O O . VAL F 49 ? 1.21196 1.10221 1.21233 -0.0403022 0.0560468 -0.0443752 49 VAL F O +7942 C CB . VAL F 49 ? 1.17581 1.16727 1.27822 -0.0561135 0.054958 -0.0396381 49 VAL F CB +7943 C CG1 . VAL F 49 ? 1.23597 1.22132 1.32449 -0.0535544 0.0678842 -0.0366244 49 VAL F CG1 +7944 C CG2 . VAL F 49 ? 1.17124 1.21082 1.32547 -0.0579592 0.0540762 -0.0368739 49 VAL F CG2 +7945 N N . VAL F 50 ? 1.08977 1.02998 1.12094 -0.00741364 0.0713001 -0.0484539 50 VAL F N +7946 C CA . VAL F 50 ? 1.0365 0.939313 1.02646 0.00765207 0.0789499 -0.0445574 50 VAL F CA +7947 C C . VAL F 50 ? 1.04146 0.940358 1.02136 0.00714211 0.0835947 -0.0405866 50 VAL F C +7948 O O . VAL F 50 ? 1.05603 0.987106 1.05614 0.0158846 0.0854681 -0.0410078 50 VAL F O +7949 C CB . VAL F 50 ? 1.05894 0.981382 1.05911 0.0317956 0.0848029 -0.0433497 50 VAL F CB +7950 C CG1 . VAL F 50 ? 1.24801 1.1444 1.21601 0.0550808 0.0952315 -0.0351856 50 VAL F CG1 +7951 C CG2 . VAL F 50 ? 1.11686 1.03611 1.11985 0.0320315 0.0839241 -0.0458171 50 VAL F CG2 +7952 N N . TYR F 51 ? 1.03892 0.892026 0.980969 -0.00509739 0.084268 -0.0362951 51 TYR F N +7953 C CA . TYR F 51 ? 1.05394 0.892822 0.97697 -0.00658194 0.0904281 -0.0308388 51 TYR F CA +7954 C C . TYR F 51 ? 1.03838 0.839983 0.918641 0.0195777 0.0978712 -0.0261833 51 TYR F C +7955 O O . TYR F 51 ? 1.17267 0.926574 1.01365 0.027012 0.100369 -0.0250183 51 TYR F O +7956 C CB . TYR F 51 ? 1.0838 0.888697 0.985573 -0.0361012 0.0870252 -0.0256084 51 TYR F CB +7957 C CG . TYR F 51 ? 1.1564 1.00619 1.10591 -0.060737 0.0842619 -0.0224387 51 TYR F CG +7958 C CD1 . TYR F 51 ? 1.28914 1.16796 1.25794 -0.059481 0.0957183 -0.0188799 51 TYR F CD1 +7959 C CD2 . TYR F 51 ? 1.21354 1.07437 1.18583 -0.0840887 0.0712675 -0.0203797 51 TYR F CD2 +7960 C CE1 . TYR F 51 ? 1.2653 1.1862 1.27855 -0.0765806 0.0995772 -0.0128433 51 TYR F CE1 +7961 C CE2 . TYR F 51 ? 1.29968 1.2103 1.32425 -0.102215 0.0707155 -0.012935 51 TYR F CE2 +7962 C CZ . TYR F 51 ? 1.27263 1.21473 1.31939 -0.0963496 0.0875668 -0.00891669 51 TYR F CZ +7963 O OH . TYR F 51 ? 1.15552 1.14752 1.25403 -0.108144 0.0935524 0.00084608 51 TYR F OH +7964 N N . GLY F 52 ? 1.03063 0.849306 0.913586 0.035172 0.1015 -0.0222419 52 GLY F N +7965 C CA . GLY F 52 ? 1.04954 0.84068 0.898576 0.0633577 0.107202 -0.0139106 52 GLY F CA +7966 C C . GLY F 52 ? 1.16912 0.915616 0.97337 0.0596266 0.111837 -0.00729725 52 GLY F C +7967 O O . GLY F 52 ? 1.33161 1.09222 1.14512 0.0418271 0.111514 -0.00794741 52 GLY F O +7968 N N . ASN F 53 ? 1.3775 1.06874 1.13088 0.0805894 0.118811 0.00050622 53 ASN F N +7969 C CA . ASN F 53 ? 1.32089 0.954168 1.01855 0.0818943 0.124306 0.00856132 53 ASN F CA +7970 C C . ASN F 53 ? 1.37854 1.02345 1.07079 0.116064 0.125037 0.0195071 53 ASN F C +7971 O O . ASN F 53 ? 1.49549 1.19059 1.22612 0.139636 0.121082 0.0229388 53 ASN F O +7972 C CB . ASN F 53 ? 1.35154 0.89728 0.980451 0.0860148 0.131817 0.0112699 53 ASN F CB +7973 C CG . ASN F 53 ? 1.45125 0.946659 1.04509 0.0455627 0.128972 0.00982462 53 ASN F CG +7974 O OD1 . ASN F 53 ? 1.77576 1.31279 1.40703 0.0175752 0.124555 0.00855876 53 ASN F OD1 +7975 N ND2 . ASN F 53 ? 1.47489 0.880576 0.996369 0.0415338 0.132138 0.0117137 53 ASN F ND2 +7976 N N . TYR F 54 ? 1.38434 0.980368 1.0271 0.116964 0.128928 0.0273157 54 TYR F N +7977 C CA . TYR F 54 ? 1.44727 1.04042 1.07217 0.150224 0.127782 0.0408339 54 TYR F CA +7978 C C . TYR F 54 ? 1.40713 0.975684 1.01358 0.190621 0.136009 0.0507755 54 TYR F C +7979 O O . TYR F 54 ? 1.31947 0.927794 0.950844 0.223963 0.132093 0.0634337 54 TYR F O +7980 C CB . TYR F 54 ? 1.52991 1.06512 1.09676 0.141411 0.131844 0.0475821 54 TYR F CB +7981 C CG . TYR F 54 ? 1.67296 1.22134 1.23145 0.172317 0.124587 0.0614958 54 TYR F CG +7982 C CD1 . TYR F 54 ? 1.63392 1.24655 1.23293 0.16774 0.110538 0.0601196 54 TYR F CD1 +7983 C CD2 . TYR F 54 ? 1.85311 1.34872 1.36171 0.207806 0.12977 0.0770462 54 TYR F CD2 +7984 C CE1 . TYR F 54 ? 1.63679 1.26259 1.2272 0.192498 0.0976658 0.074104 54 TYR F CE1 +7985 C CE2 . TYR F 54 ? 1.85378 1.36785 1.35969 0.236557 0.119013 0.0927788 54 TYR F CE2 +7986 C CZ . TYR F 54 ? 1.7059 1.28698 1.25377 0.226568 0.100765 0.0913769 54 TYR F CZ +7987 O OH . TYR F 54 ? 1.65048 1.25485 1.1974 0.247829 0.0830996 0.106639 54 TYR F OH +7988 N N . SER F 55 ? 1.48066 0.981838 1.04125 0.18773 0.147629 0.0468305 55 SER F N +7989 C CA . SER F 55 ? 1.62586 1.09047 1.15705 0.229462 0.161966 0.056166 55 SER F CA +7990 C C . SER F 55 ? 1.52808 1.04309 1.10946 0.234627 0.164612 0.0503816 55 SER F C +7991 O O . SER F 55 ? 1.60316 1.07055 1.14845 0.256858 0.180702 0.0524775 55 SER F O +7992 C CB . SER F 55 ? 1.94666 1.2933 1.38254 0.226596 0.174185 0.0556499 55 SER F CB +7993 O OG . SER F 55 ? 2.11608 1.43414 1.53671 0.174425 0.166223 0.0415384 55 SER F OG +7994 N N . GLN F 56 ? 1.48376 1.08704 1.14031 0.21518 0.150501 0.0436342 56 GLN F N +7995 C CA . GLN F 56 ? 1.36381 1.02436 1.07516 0.216727 0.150671 0.0392621 56 GLN F CA +7996 C C . GLN F 56 ? 1.2144 0.819395 0.88902 0.203494 0.159785 0.0281415 56 GLN F C +7997 O O . GLN F 56 ? 1.16045 0.780307 0.850551 0.220779 0.169682 0.0297017 56 GLN F O +7998 C CB . GLN F 56 ? 1.4418 1.14969 1.18858 0.261129 0.158553 0.0576018 56 GLN F CB +7999 C CG . GLN F 56 ? 1.49024 1.26711 1.28405 0.26834 0.1411 0.0697894 56 GLN F CG +8000 C CD . GLN F 56 ? 1.59877 1.40171 1.40861 0.316945 0.148324 0.0958065 56 GLN F CD +8001 O OE1 . GLN F 56 ? 1.75116 1.51568 1.53262 0.35237 0.172115 0.106083 56 GLN F OE1 +8002 N NE2 . GLN F 56 ? 1.75853 1.62513 1.61118 0.320043 0.127358 0.108505 56 GLN F NE2 +8003 N N . GLN F 57 ? 1.27647 0.821865 0.905338 0.169623 0.154658 0.0182781 57 GLN F N +8004 C CA . GLN F 57 ? 1.48073 0.976069 1.07553 0.148058 0.154924 0.00777183 57 GLN F CA +8005 C C . GLN F 57 ? 1.38687 0.947168 1.04419 0.110759 0.138214 -0.00341294 57 GLN F C +8006 O O . GLN F 57 ? 1.53555 1.12237 1.2167 0.0845855 0.127819 -0.00554917 57 GLN F O +8007 C CB . GLN F 57 ? 1.67956 1.07226 1.1893 0.126586 0.154188 0.00615311 57 GLN F CB +8008 C CG . GLN F 57 ? 1.81533 1.13151 1.25316 0.159809 0.1696 0.0175057 57 GLN F CG +8009 C CD . GLN F 57 ? 1.839 1.03599 1.1788 0.134973 0.168538 0.0144097 57 GLN F CD +8010 O OE1 . GLN F 57 ? 1.91794 1.03275 1.18835 0.141333 0.176272 0.0108399 57 GLN F OE1 +8011 N NE2 . GLN F 57 ? 1.83135 1.01728 1.16375 0.100228 0.157373 0.0155242 57 GLN F NE2 +8012 N N . LEU F 58 ? 1.27219 0.853639 0.952021 0.109254 0.137576 -0.00934137 58 LEU F N +8013 C CA . LEU F 58 ? 1.1922 0.829844 0.927424 0.0767131 0.121805 -0.0184198 58 LEU F CA +8014 C C . LEU F 58 ? 1.24946 0.841865 0.953783 0.0469738 0.111868 -0.0257063 58 LEU F C +8015 O O . LEU F 58 ? 1.28357 0.808111 0.927815 0.0556959 0.118335 -0.0263904 58 LEU F O +8016 C CB . LEU F 58 ? 1.19361 0.914359 0.998851 0.0899619 0.121266 -0.0187648 58 LEU F CB +8017 C CG . LEU F 58 ? 1.26518 1.00064 1.0773 0.128609 0.136278 -0.00957 58 LEU F CG +8018 C CD1 . LEU F 58 ? 1.37422 1.08179 1.16573 0.132944 0.144813 -0.0126881 58 LEU F CD1 +8019 C CD2 . LEU F 58 ? 1.21006 1.03369 1.09493 0.131067 0.128113 -0.00674368 58 LEU F CD2 +8020 N N . GLN F 59 ? 1.34695 0.975743 1.09031 0.0117672 0.0957473 -0.029345 59 GLN F N +8021 C CA . GLN F 59 ? 1.43237 1.0404 1.16631 -0.0223554 0.0789537 -0.0328892 59 GLN F CA +8022 C C . GLN F 59 ? 1.25342 0.934607 1.05583 -0.0274745 0.0708179 -0.0373884 59 GLN F C +8023 O O . GLN F 59 ? 1.2364 0.978088 1.09561 -0.0387905 0.0664492 -0.0365675 59 GLN F O +8024 C CB . GLN F 59 ? 1.48435 1.08403 1.21749 -0.0588799 0.0674352 -0.0277073 59 GLN F CB +8025 C CG . GLN F 59 ? 1.67724 1.26129 1.40631 -0.0999667 0.0444525 -0.0262938 59 GLN F CG +8026 C CD . GLN F 59 ? 1.7271 1.35162 1.50039 -0.13576 0.0340323 -0.0167849 59 GLN F CD +8027 O OE1 . GLN F 59 ? 1.58085 1.26875 1.40922 -0.128626 0.0448325 -0.0139459 59 GLN F OE1 +8028 N NE2 . GLN F 59 ? 1.8224 1.41077 1.57148 -0.17618 0.0126007 -0.00998861 59 GLN F NE2 +8029 N N . VAL F 60 ? 1.22227 0.891561 1.0131 -0.0172091 0.0713551 -0.0413779 60 VAL F N +8030 C CA . VAL F 60 ? 1.15404 0.884158 1.00176 -0.0178321 0.0657173 -0.0451062 60 VAL F CA +8031 C C . VAL F 60 ? 1.12441 0.843512 0.970384 -0.0492704 0.0438433 -0.0458886 60 VAL F C +8032 O O . VAL F 60 ? 1.24503 0.896293 1.02925 -0.0582902 0.0368654 -0.0465001 60 VAL F O +8033 C CB . VAL F 60 ? 1.19305 0.924238 1.03504 0.0128331 0.0812165 -0.0459581 60 VAL F CB +8034 C CG1 . VAL F 60 ? 1.20652 0.992298 1.10071 0.00889434 0.074746 -0.0493479 60 VAL F CG1 +8035 C CG2 . VAL F 60 ? 1.1525 0.903857 1.00442 0.0439077 0.0993011 -0.0403523 60 VAL F CG2 +8036 N N . TYR F 61 ? 1.15444 0.936326 1.06385 -0.0642932 0.0323445 -0.0447725 61 TYR F N +8037 C CA . TYR F 61 ? 1.21505 0.993617 1.12947 -0.0936035 0.00848196 -0.041061 61 TYR F CA +8038 C C . TYR F 61 ? 1.02093 0.870189 1.00514 -0.0925001 0.00298148 -0.0404562 61 TYR F C +8039 O O . TYR F 61 ? 1.00022 0.897388 1.02656 -0.0752267 0.0167164 -0.0431782 61 TYR F O +8040 C CB . TYR F 61 ? 1.29953 1.0632 1.20681 -0.126802 -0.00635571 -0.0318221 61 TYR F CB +8041 C CG . TYR F 61 ? 1.17853 1.01327 1.15524 -0.132026 -0.0007645 -0.0247474 61 TYR F CG +8042 C CD1 . TYR F 61 ? 1.20185 1.0413 1.17749 -0.118713 0.0188504 -0.0253307 61 TYR F CD1 +8043 C CD2 . TYR F 61 ? 1.12362 1.01792 1.16339 -0.147614 -0.0134649 -0.0157964 61 TYR F CD2 +8044 C CE1 . TYR F 61 ? 1.21871 1.11459 1.24752 -0.121445 0.0276441 -0.0189538 61 TYR F CE1 +8045 C CE2 . TYR F 61 ? 1.19676 1.15235 1.29576 -0.147228 -0.00197454 -0.00797062 61 TYR F CE2 +8046 C CZ . TYR F 61 ? 1.21038 1.16389 1.30054 -0.134648 0.0196333 -0.0103413 61 TYR F CZ +8047 O OH . TYR F 61 ? 1.15502 1.16127 1.29423 -0.132392 0.0343284 -0.00274644 61 TYR F OH +8048 N N . SER F 62 ? 1.05551 0.90258 1.04324 -0.110398 -0.0186255 -0.0365343 62 SER F N +8049 C CA . SER F 62 ? 0.991363 0.895997 1.03805 -0.107787 -0.0254061 -0.0339709 62 SER F CA +8050 C C . SER F 62 ? 0.915225 0.839995 0.989544 -0.137147 -0.0519869 -0.0201492 62 SER F C +8051 O O . SER F 62 ? 0.968734 0.846625 0.999167 -0.157511 -0.0744317 -0.0170697 62 SER F O +8052 C CB . SER F 62 ? 1.03398 0.920345 1.06037 -0.0937115 -0.0252788 -0.0406086 62 SER F CB +8053 O OG . SER F 62 ? 1.05308 0.987194 1.13082 -0.092606 -0.0342052 -0.0366767 62 SER F OG +8054 N N . LYS F 63 ? 0.945298 0.93838 1.09012 -0.137648 -0.0494017 -0.0105735 63 LYS F N +8055 C CA . LYS F 63 ? 1.06321 1.09352 1.25193 -0.162728 -0.0736268 0.00803034 63 LYS F CA +8056 C C . LYS F 63 ? 1.05268 1.11529 1.27657 -0.152705 -0.0858594 0.0124296 63 LYS F C +8057 O O . LYS F 63 ? 1.15868 1.26095 1.42727 -0.169416 -0.107804 0.0309599 63 LYS F O +8058 C CB . LYS F 63 ? 1.0352 1.12077 1.28013 -0.168356 -0.0604974 0.020944 63 LYS F CB +8059 C CG . LYS F 63 ? 1.11373 1.16374 1.32292 -0.189828 -0.0580172 0.0231521 63 LYS F CG +8060 C CD . LYS F 63 ? 1.1898 1.23724 1.4036 -0.234587 -0.0873775 0.0429684 63 LYS F CD +8061 C CE . LYS F 63 ? 1.22015 1.22791 1.39597 -0.257119 -0.0825781 0.0460731 63 LYS F CE +8062 N NZ . LYS F 63 ? 1.26712 1.18106 1.34755 -0.24961 -0.0768662 0.0275584 63 LYS F NZ +8063 N N . THR F 64 ? 0.994475 1.03759 1.19594 -0.127903 -0.0743057 -0.0020748 64 THR F N +8064 C CA . THR F 64 ? 0.982197 1.04911 1.21109 -0.115105 -0.0819434 0.00106975 64 THR F CA +8065 C C . THR F 64 ? 1.10914 1.11802 1.27823 -0.118293 -0.0972759 -0.0056317 64 THR F C +8066 O O . THR F 64 ? 1.09283 1.108 1.27037 -0.104619 -0.0994282 -0.00621449 64 THR F O +8067 C CB . THR F 64 ? 0.976667 1.07202 1.23329 -0.0844028 -0.0534839 -0.00799183 64 THR F CB +8068 O OG1 . THR F 64 ? 1.08073 1.13955 1.29356 -0.0743089 -0.0349124 -0.0244317 64 THR F OG1 +8069 C CG2 . THR F 64 ? 0.953658 1.10415 1.26694 -0.0779384 -0.0378751 0.0012261 64 THR F CG2 +8070 N N . GLY F 65 ? 1.23718 1.1831 1.33961 -0.134846 -0.105867 -0.0101486 65 GLY F N +8071 C CA . GLY F 65 ? 1.17528 1.05786 1.21154 -0.139554 -0.12037 -0.0141053 65 GLY F CA +8072 C C . GLY F 65 ? 1.10343 0.953359 1.10142 -0.113317 -0.0920591 -0.0290371 65 GLY F C +8073 O O . GLY F 65 ? 1.12474 0.933195 1.07866 -0.110997 -0.0977148 -0.0310564 65 GLY F O +8074 N N . PHE F 66 ? 1.08284 0.946908 1.09182 -0.0959082 -0.0630757 -0.037311 66 PHE F N +8075 C CA . PHE F 66 ? 1.13042 0.97359 1.11239 -0.0734423 -0.0373996 -0.046762 66 PHE F CA +8076 C C . PHE F 66 ? 1.1859 0.964396 1.09782 -0.0709546 -0.026017 -0.0506782 66 PHE F C +8077 O O . PHE F 66 ? 1.19139 0.951739 1.08648 -0.0818279 -0.0297218 -0.0494389 66 PHE F O +8078 C CB . PHE F 66 ? 1.11119 1.00814 1.14535 -0.0564069 -0.0160627 -0.0507862 66 PHE F CB +8079 C CG . PHE F 66 ? 1.08048 1.01985 1.16174 -0.0490973 -0.0172057 -0.0502122 66 PHE F CG +8080 C CD1 . PHE F 66 ? 1.05295 1.03156 1.18059 -0.0547455 -0.0298728 -0.0432449 66 PHE F CD1 +8081 C CD2 . PHE F 66 ? 0.995596 0.933829 1.07353 -0.0358056 -0.00357146 -0.0547543 66 PHE F CD2 +8082 C CE1 . PHE F 66 ? 1.05024 1.05683 1.21157 -0.0431986 -0.0277078 -0.0426524 66 PHE F CE1 +8083 C CE2 . PHE F 66 ? 0.990891 0.95476 1.1007 -0.0303529 -0.00501702 -0.0546892 66 PHE F CE2 +8084 C CZ . PHE F 66 ? 1.0494 1.04278 1.19662 -0.0320968 -0.0164838 -0.0495195 66 PHE F CZ +8085 N N . ASN F 67 ? 1.23317 0.975545 1.10338 -0.0546742 -0.00904761 -0.0539916 67 ASN F N +8086 C CA . ASN F 67 ? 1.3223 1.00653 1.12888 -0.0414463 0.0116025 -0.05623 67 ASN F CA +8087 C C . ASN F 67 ? 1.28105 1.01205 1.12998 -0.0189969 0.0381193 -0.0567332 67 ASN F C +8088 O O . ASN F 67 ? 1.23156 0.978313 1.09071 9.361e-05 0.0589455 -0.0552205 67 ASN F O +8089 C CB . ASN F 67 ? 1.35806 0.976634 1.09381 -0.0322333 0.0215319 -0.0564027 67 ASN F CB +8090 C CG . ASN F 67 ? 1.40411 0.947352 1.06034 -0.0171573 0.0431269 -0.0573435 67 ASN F CG +8091 O OD1 . ASN F 67 ? 1.31684 0.85438 0.969569 -0.0153611 0.0474582 -0.0578989 67 ASN F OD1 +8092 N ND2 . ASN F 67 ? 1.46689 0.94413 1.05131 -0.00430679 0.0589351 -0.0567835 67 ASN F ND2 +8093 N N . CYS F 68 ? 1.39765 1.14913 1.2689 -0.0237759 0.035449 -0.0568245 68 CYS F N +8094 C CA . CYS F 68 ? 1.27017 1.06613 1.18052 -0.00599299 0.0538662 -0.0562563 68 CYS F CA +8095 C C . CYS F 68 ? 1.29305 1.04522 1.15652 0.0090092 0.070348 -0.054146 68 CYS F C +8096 O O . CYS F 68 ? 1.27994 0.974647 1.09119 -0.00340146 0.0616725 -0.0548129 68 CYS F O +8097 C CB . CYS F 68 ? 1.31829 1.16743 1.28473 -0.0186302 0.0418994 -0.0569478 68 CYS F CB +8098 S SG . CYS F 68 ? 1.51841 1.41908 1.52717 0.00014967 0.0589711 -0.0566323 68 CYS F SG +8099 N N . ASP F 69 ? 1.19791 0.978381 1.08153 0.0349323 0.0925388 -0.0497651 69 ASP F N +8100 C CA . ASP F 69 ? 1.32415 1.07702 1.17662 0.0563386 0.110348 -0.0447098 69 ASP F CA +8101 C C . ASP F 69 ? 1.14086 0.96126 1.05205 0.070904 0.117633 -0.0390951 69 ASP F C +8102 O O . ASP F 69 ? 1.12306 1.00057 1.08701 0.0685962 0.114754 -0.0383618 69 ASP F O +8103 C CB . ASP F 69 ? 1.54709 1.2413 1.33875 0.0808142 0.133995 -0.0397845 69 ASP F CB +8104 C CG . ASP F 69 ? 1.8354 1.43777 1.54195 0.0800369 0.134798 -0.0419527 69 ASP F CG +8105 O OD1 . ASP F 69 ? 1.8203 1.41249 1.51676 0.0930678 0.142933 -0.0381088 69 ASP F OD1 +8106 O OD2 . ASP F 69 ? 2.09292 1.63304 1.74311 0.0605386 0.121447 -0.0476718 69 ASP F OD2 +8107 N N . GLY F 70 ? 1.12302 0.931206 1.01931 0.084395 0.124904 -0.0344601 70 GLY F N +8108 C CA . GLY F 70 ? 1.03794 0.904961 0.983037 0.0951942 0.125928 -0.0282202 70 GLY F CA +8109 C C . GLY F 70 ? 1.16417 1.02159 1.09283 0.129271 0.145646 -0.0148474 70 GLY F C +8110 O O . GLY F 70 ? 1.34675 1.1378 1.21472 0.14117 0.155857 -0.0134231 70 GLY F O +8111 N N . LYS F 71 ? 1.18062 1.10449 1.16362 0.144206 0.148947 -0.00333687 71 LYS F N +8112 C CA . LYS F 71 ? 1.25639 1.19249 1.2428 0.177877 0.163668 0.0141028 71 LYS F CA +8113 C C . LYS F 71 ? 1.21097 1.20726 1.24521 0.172859 0.145828 0.0195235 71 LYS F C +8114 O O . LYS F 71 ? 1.17818 1.22999 1.26167 0.154203 0.130322 0.0175945 71 LYS F O +8115 C CB . LYS F 71 ? 1.29361 1.25633 1.30154 0.204253 0.186568 0.0301532 71 LYS F CB +8116 C CG . LYS F 71 ? 1.3755 1.37781 1.41172 0.243094 0.203122 0.0554651 71 LYS F CG +8117 C CD . LYS F 71 ? 1.58527 1.52297 1.56131 0.285161 0.23441 0.0663011 71 LYS F CD +8118 C CE . LYS F 71 ? 1.73293 1.58745 1.63539 0.283869 0.229739 0.0549421 71 LYS F CE +8119 N NZ . LYS F 71 ? 1.68466 1.56794 1.60861 0.284669 0.212749 0.0606764 71 LYS F NZ +8120 N N . LEU F 72 ? 1.2056 1.18249 1.21669 0.190067 0.147632 0.0269823 72 LEU F N +8121 C CA . LEU F 72 ? 1.09508 1.1161 1.1366 0.187421 0.129942 0.0333518 72 LEU F CA +8122 C C . LEU F 72 ? 1.189 1.2719 1.27813 0.21493 0.133312 0.0580481 72 LEU F C +8123 O O . LEU F 72 ? 1.233 1.30526 1.31294 0.249482 0.156346 0.0737082 72 LEU F O +8124 C CB . LEU F 72 ? 1.09375 1.05886 1.08241 0.191673 0.129964 0.0309855 72 LEU F CB +8125 C CG . LEU F 72 ? 1.1274 1.12116 1.1293 0.193278 0.113691 0.0389142 72 LEU F CG +8126 C CD1 . LEU F 72 ? 1.19722 1.22089 1.22303 0.158632 0.0927358 0.025132 72 LEU F CD1 +8127 C CD2 . LEU F 72 ? 1.13366 1.06022 1.07373 0.205064 0.121219 0.0406446 72 LEU F CD2 +8128 N N . GLY F 73 ? 1.21151 1.35806 1.35006 0.199713 0.10998 0.0634139 73 GLY F N +8129 C CA . GLY F 73 ? 1.1994 1.41662 1.39357 0.219024 0.106252 0.0904898 73 GLY F CA +8130 C C . GLY F 73 ? 1.35972 1.61978 1.5793 0.200218 0.0725697 0.0950948 73 GLY F C +8131 O O . GLY F 73 ? 1.52618 1.83038 1.78361 0.172789 0.0527926 0.0936294 73 GLY F O +8132 N N . ASN F 74 ? 1.36034 1.59816 1.55013 0.214522 0.0659221 0.100801 74 ASN F N +8133 C CA . ASN F 74 ? 1.40721 1.68226 1.61378 0.205556 0.0343819 0.111936 74 ASN F CA +8134 C C . ASN F 74 ? 1.36773 1.62429 1.5539 0.164187 0.0136136 0.087449 74 ASN F C +8135 O O . ASN F 74 ? 1.60577 1.80308 1.739 0.156726 0.019166 0.0689258 74 ASN F O +8136 C CB . ASN F 74 ? 1.5176 1.87962 1.79638 0.21886 0.0232265 0.144359 74 ASN F CB +8137 C CG . ASN F 74 ? 1.56054 1.95385 1.84804 0.216259 -0.0113032 0.161332 74 ASN F CG +8138 O OD1 . ASN F 74 ? 1.59038 1.935 1.82568 0.227409 -0.0136445 0.157517 74 ASN F OD1 +8139 N ND2 . ASN F 74 ? 1.66744 2.13807 2.01654 0.199629 -0.0397457 0.181366 74 ASN F ND2 +8140 N N . GLU F 75 ? 1.16332 1.46695 1.38941 0.138092 -0.00716261 0.0885433 75 GLU F N +8141 C CA . GLU F 75 ? 1.05036 1.33053 1.2513 0.102735 -0.0249934 0.0666825 75 GLU F CA +8142 C C . GLU F 75 ? 0.936869 1.20804 1.14706 0.0863567 -0.0111806 0.0492205 75 GLU F C +8143 O O . GLU F 75 ? 1.03224 1.30717 1.24522 0.0588283 -0.0269419 0.0393428 75 GLU F O +8144 C CB . GLU F 75 ? 1.23767 1.55429 1.45315 0.08266 -0.0630465 0.0785919 75 GLU F CB +8145 C CG . GLU F 75 ? 1.3866 1.78363 1.67417 0.0825643 -0.0771368 0.106811 75 GLU F CG +8146 C CD . GLU F 75 ? 1.49954 1.93192 1.80369 0.0486525 -0.120809 0.116932 75 GLU F CD +8147 O OE1 . GLU F 75 ? 1.4222 1.80939 1.67953 0.0179039 -0.137433 0.0951339 75 GLU F OE1 +8148 O OE2 . GLU F 75 ? 1.36269 1.86748 1.72586 0.0535125 -0.13857 0.148991 75 GLU F OE2 +8149 N N . SER F 76 ? 1.00776 1.25444 1.21046 0.102505 0.0171967 0.0438434 76 SER F N +8150 C CA . SER F 76 ? 0.959073 1.19582 1.16823 0.0894827 0.0290535 0.0298753 76 SER F CA +8151 C C . SER F 76 ? 0.896922 1.08357 1.07279 0.102329 0.0541086 0.0196385 76 SER F C +8152 O O . SER F 76 ? 0.941151 1.1048 1.09511 0.125934 0.0676007 0.0273587 76 SER F O +8153 C CB . SER F 76 ? 0.90035 1.18985 1.16128 0.0897073 0.0302642 0.0457173 76 SER F CB +8154 O OG . SER F 76 ? 0.898994 1.19839 1.17168 0.12213 0.0536908 0.0629301 76 SER F OG +8155 N N . VAL F 77 ? 0.820918 0.988461 0.991135 0.0853374 0.0581313 0.00345604 77 VAL F N +8156 C CA . VAL F 77 ? 0.932042 1.05675 1.07538 0.0899671 0.0757819 -0.00499393 77 VAL F CA +8157 C C . VAL F 77 ? 0.882201 1.02221 1.04816 0.0842151 0.0810125 -0.00531278 77 VAL F C +8158 O O . VAL F 77 ? 1.00013 1.16389 1.18912 0.0654925 0.0685951 -0.00990844 77 VAL F O +8159 C CB . VAL F 77 ? 0.872706 0.96052 0.987376 0.0729334 0.0724658 -0.0217714 77 VAL F CB +8160 C CG1 . VAL F 77 ? 0.810156 0.863694 0.907177 0.066519 0.0812279 -0.030374 77 VAL F CG1 +8161 C CG2 . VAL F 77 ? 0.816627 0.8793 0.900681 0.0797907 0.0733228 -0.0195272 77 VAL F CG2 +8162 N N . THR F 78 ? 0.875853 0.994081 1.02702 0.100174 0.100026 -0.0004764 78 THR F N +8163 C CA . THR F 78 ? 0.862056 0.984158 1.02398 0.0943073 0.107018 -0.00145604 78 THR F CA +8164 C C . THR F 78 ? 0.970667 1.0371 1.09117 0.0850617 0.109759 -0.0162689 78 THR F C +8165 O O . THR F 78 ? 1.26447 1.28311 1.34181 0.0959693 0.119531 -0.0170957 78 THR F O +8166 C CB . THR F 78 ? 0.739995 0.881351 0.916024 0.119222 0.128205 0.0179677 78 THR F CB +8167 O OG1 . THR F 78 ? 0.670089 0.871471 0.892121 0.124074 0.119267 0.0344225 78 THR F OG1 +8168 C CG2 . THR F 78 ? 0.762967 0.909643 0.949672 0.11098 0.136444 0.0184268 78 THR F CG2 +8169 N N . PHE F 79 ? 0.778823 0.849221 0.910338 0.0645961 0.0995794 -0.0261013 79 PHE F N +8170 C CA . PHE F 79 ? 0.820814 0.848087 0.921357 0.054912 0.0982289 -0.0359681 79 PHE F CA +8171 C C . PHE F 79 ? 0.874632 0.889988 0.965501 0.0606161 0.110486 -0.0310324 79 PHE F C +8172 O O . PHE F 79 ? 0.992373 1.03858 1.11288 0.0548275 0.11 -0.0275563 79 PHE F O +8173 C CB . PHE F 79 ? 0.887273 0.924941 1.00465 0.0341151 0.0812573 -0.0469124 79 PHE F CB +8174 C CG . PHE F 79 ? 0.912726 0.958185 1.03466 0.029722 0.0740746 -0.050861 79 PHE F CG +8175 C CD1 . PHE F 79 ? 0.943872 0.961285 1.04401 0.023471 0.0718114 -0.0544983 79 PHE F CD1 +8176 C CD2 . PHE F 79 ? 0.867328 0.94497 1.012 0.0285078 0.0684086 -0.0500703 79 PHE F CD2 +8177 C CE1 . PHE F 79 ? 0.840723 0.865256 0.944519 0.0193391 0.0691453 -0.056259 79 PHE F CE1 +8178 C CE2 . PHE F 79 ? 0.905243 0.981902 1.04436 0.0257734 0.0644582 -0.0535288 79 PHE F CE2 +8179 C CZ . PHE F 79 ? 0.853932 0.905407 0.973974 0.0226094 0.0672612 -0.0561956 79 PHE F CZ +8180 N N . TYR F 80 ? 0.954205 0.916006 0.994848 0.0709241 0.122104 -0.0304528 80 TYR F N +8181 C CA . TYR F 80 ? 1.00031 0.933579 1.01391 0.0769503 0.135671 -0.0269706 80 TYR F CA +8182 C C . TYR F 80 ? 1.04347 0.940696 1.03088 0.0553449 0.117734 -0.0381857 80 TYR F C +8183 O O . TYR F 80 ? 1.16889 1.01262 1.10764 0.0500746 0.111081 -0.0432273 80 TYR F O +8184 C CB . TYR F 80 ? 1.00366 0.887367 0.964605 0.103243 0.1598 -0.0194812 80 TYR F CB +8185 C CG . TYR F 80 ? 0.967236 0.891469 0.958847 0.130061 0.178479 -0.00391902 80 TYR F CG +8186 C CD1 . TYR F 80 ? 1.0382 1.01078 1.06997 0.14545 0.197733 0.0128247 80 TYR F CD1 +8187 C CD2 . TYR F 80 ? 1.04245 0.958575 1.02468 0.1395 0.176088 -0.00323058 80 TYR F CD2 +8188 C CE1 . TYR F 80 ? 1.06189 1.07962 1.12904 0.17093 0.212625 0.0315585 80 TYR F CE1 +8189 C CE2 . TYR F 80 ? 1.13348 1.08706 1.14365 0.16626 0.190534 0.0134388 80 TYR F CE2 +8190 C CZ . TYR F 80 ? 1.11131 1.11945 1.16738 0.182464 0.207824 0.031697 80 TYR F CZ +8191 O OH . TYR F 80 ? 1.15843 1.21404 1.25173 0.208972 0.219454 0.0524326 80 TYR F OH +8192 N N . LEU F 81 ? 0.995365 0.918356 1.0118 0.0422397 0.108454 -0.0402621 81 LEU F N +8193 C CA . LEU F 81 ? 1.08641 0.976481 1.07857 0.0259393 0.0914576 -0.04711 81 LEU F CA +8194 C C . LEU F 81 ? 1.0097 0.854306 0.954528 0.0324382 0.104355 -0.0428613 81 LEU F C +8195 O O . LEU F 81 ? 0.907798 0.77275 0.869227 0.0391076 0.119726 -0.0357824 81 LEU F O +8196 C CB . LEU F 81 ? 1.19199 1.11816 1.22707 0.0109538 0.0738107 -0.0516655 81 LEU F CB +8197 C CG . LEU F 81 ? 1.26858 1.23915 1.34762 0.00779051 0.0672157 -0.0550077 81 LEU F CG +8198 C CD1 . LEU F 81 ? 1.24423 1.23949 1.3548 -0.00149433 0.0561392 -0.0589215 81 LEU F CD1 +8199 C CD2 . LEU F 81 ? 1.2699 1.22854 1.33914 0.00301856 0.0583834 -0.0582661 81 LEU F CD2 +8200 N N . GLN F 82 ? 1.04941 0.82884 0.931421 0.0274123 0.0964701 -0.0463657 82 GLN F N +8201 C CA . GLN F 82 ? 1.15975 0.88135 0.981608 0.0301 0.103785 -0.0441346 82 GLN F CA +8202 C C . GLN F 82 ? 1.13614 0.836349 0.943487 0.0070667 0.0719512 -0.0487334 82 GLN F C +8203 O O . GLN F 82 ? 1.01514 0.743531 0.857527 -0.00850433 0.0472483 -0.0521561 82 GLN F O +8204 C CB . GLN F 82 ? 1.32367 0.967242 1.06305 0.0431201 0.118944 -0.0434533 82 GLN F CB +8205 C CG . GLN F 82 ? 1.29724 0.954899 1.04405 0.0725574 0.153009 -0.0355618 82 GLN F CG +8206 C CD . GLN F 82 ? 1.26454 0.928906 1.02113 0.0720804 0.14479 -0.0389132 82 GLN F CD +8207 O OE1 . GLN F 82 ? 1.18935 0.817496 0.916218 0.0517048 0.120169 -0.046568 82 GLN F OE1 +8208 N NE2 . GLN F 82 ? 1.39521 1.10753 1.19469 0.0928636 0.163931 -0.031026 82 GLN F NE2 +8209 N N . ASN F 83 ? 1.25745 0.910319 1.01471 0.00686661 0.0742344 -0.0463517 83 ASN F N +8210 C CA . ASN F 83 ? 1.25432 0.879681 0.988605 -0.0126689 0.042717 -0.0475602 83 ASN F CA +8211 C C . ASN F 83 ? 1.09016 0.782187 0.900745 -0.0233863 0.0214158 -0.0477315 83 ASN F C +8212 O O . ASN F 83 ? 1.07181 0.76414 0.888631 -0.039112 -0.0097966 -0.0468227 83 ASN F O +8213 C CB . ASN F 83 ? 1.24209 0.804217 0.912981 -0.0275953 0.01987 -0.050236 83 ASN F CB +8214 C CG . ASN F 83 ? 1.25535 0.725937 0.825716 -0.0161813 0.0400569 -0.0503957 83 ASN F CG +8215 O OD1 . ASN F 83 ? 1.37105 0.807965 0.906315 -0.0086634 0.0523066 -0.0526239 83 ASN F OD1 +8216 N ND2 . ASN F 83 ? 1.26443 0.686097 0.779953 -0.0135479 0.0447461 -0.0476818 83 ASN F ND2 +8217 N N . LEU F 84 ? 0.949921 0.696908 0.817184 -0.0145993 0.0379062 -0.0470887 84 LEU F N +8218 C CA . LEU F 84 ? 0.939061 0.733416 0.863361 -0.020814 0.0228299 -0.0478414 84 LEU F CA +8219 C C . LEU F 84 ? 1.10648 0.87291 1.0073 -0.0258462 0.00940122 -0.0439589 84 LEU F C +8220 O O . LEU F 84 ? 1.2102 0.940471 1.06957 -0.0218058 0.0239006 -0.0404929 84 LEU F O +8221 C CB . LEU F 84 ? 0.812362 0.65612 0.786096 -0.0137415 0.0418327 -0.0481682 84 LEU F CB +8222 C CG . LEU F 84 ? 0.798474 0.683646 0.811606 -0.0108385 0.0454778 -0.0517723 84 LEU F CG +8223 C CD1 . LEU F 84 ? 0.813743 0.736457 0.860595 -0.0062519 0.0625238 -0.0491946 84 LEU F CD1 +8224 C CD2 . LEU F 84 ? 0.787145 0.697686 0.833811 -0.0173979 0.026065 -0.0556079 84 LEU F CD2 +8225 N N . TYR F 85 ? 1.18006 0.966427 1.11054 -0.032105 -0.0156243 -0.0425707 85 TYR F N +8226 C CA . TYR F 85 ? 1.14348 0.909591 1.05971 -0.0335803 -0.029686 -0.0372067 85 TYR F CA +8227 C C . TYR F 85 ? 1.04909 0.840417 0.998808 -0.026981 -0.0155974 -0.0380512 85 TYR F C +8228 O O . TYR F 85 ? 0.929176 0.761199 0.922966 -0.0237587 -0.00548783 -0.0426048 85 TYR F O +8229 C CB . TYR F 85 ? 1.1644 0.941948 1.09887 -0.0404675 -0.0638395 -0.0310326 85 TYR F CB +8230 C CG . TYR F 85 ? 1.09547 0.844315 0.994005 -0.0550842 -0.0852103 -0.0282242 85 TYR F CG +8231 C CD1 . TYR F 85 ? 1.15884 0.838207 0.978281 -0.061831 -0.0897019 -0.0275028 85 TYR F CD1 +8232 C CD2 . TYR F 85 ? 1.07753 0.862844 1.01543 -0.0641181 -0.10138 -0.025224 85 TYR F CD2 +8233 C CE1 . TYR F 85 ? 1.29914 0.938979 1.07281 -0.0782833 -0.110415 -0.0260776 85 TYR F CE1 +8234 C CE2 . TYR F 85 ? 1.19957 0.954867 1.10227 -0.0833243 -0.124275 -0.0213836 85 TYR F CE2 +8235 C CZ . TYR F 85 ? 1.37692 1.05488 1.19305 -0.0914129 -0.130102 -0.0227798 85 TYR F CZ +8236 O OH . TYR F 85 ? 1.69429 1.32666 1.45978 -0.11338 -0.15407 -0.0202387 85 TYR F OH +8237 N N . VAL F 86 ? 1.06463 0.824696 0.986942 -0.0268801 -0.0175184 -0.0331884 86 VAL F N +8238 C CA . VAL F 86 ? 1.01306 0.784816 0.956937 -0.0246247 -0.00675423 -0.033274 86 VAL F CA +8239 C C . VAL F 86 ? 0.927771 0.73197 0.917398 -0.0184696 -0.0200354 -0.0352723 86 VAL F C +8240 O O . VAL F 86 ? 0.927056 0.746612 0.93905 -0.0171675 -0.00921415 -0.0393109 86 VAL F O +8241 C CB . VAL F 86 ? 1.12687 0.850089 1.02446 -0.0264459 -0.00676799 -0.026189 86 VAL F CB +8242 C CG1 . VAL F 86 ? 1.25784 0.953755 1.13186 -0.0244652 -0.0370675 -0.019987 86 VAL F CG1 +8243 C CG2 . VAL F 86 ? 1.27155 0.997504 1.18398 -0.0282358 0.00375148 -0.025495 86 VAL F CG2 +8244 N N . ASN F 87 ? 0.963539 0.776767 0.965336 -0.0149349 -0.0429249 -0.0307198 87 ASN F N +8245 C CA . ASN F 87 ? 0.873277 0.720311 0.920976 -0.00376813 -0.0507842 -0.028836 87 ASN F CA +8246 C C . ASN F 87 ? 0.847948 0.738028 0.935162 -0.00279602 -0.0399511 -0.0357439 87 ASN F C +8247 O O . ASN F 87 ? 0.782778 0.702398 0.906967 0.0078611 -0.0404053 -0.0342441 87 ASN F O +8248 C CB . ASN F 87 ? 0.934419 0.785223 0.989973 7.69e-05 -0.078887 -0.0158934 87 ASN F CB +8249 C CG . ASN F 87 ? 0.998659 0.859485 1.053 -0.0135324 -0.0956314 -0.0122581 87 ASN F CG +8250 O OD1 . ASN F 87 ? 1.10225 0.981581 1.16817 -0.0195391 -0.0841318 -0.0195704 87 ASN F OD1 +8251 N ND2 . ASN F 87 ? 1.08664 0.930974 1.12281 -0.019916 -0.124946 -0.00012959 87 ASN F ND2 +8252 N N . GLN F 88 ? 0.921594 0.813409 0.998679 -0.011388 -0.0269467 -0.0423276 88 GLN F N +8253 C CA . GLN F 88 ? 0.97081 0.897006 1.07754 -0.0106493 -0.0164719 -0.0484803 88 GLN F CA +8254 C C . GLN F 88 ? 0.982491 0.913968 1.0944 -0.0102129 0.00108587 -0.0556311 88 GLN F C +8255 O O . GLN F 88 ? 1.03063 0.985354 1.15956 -0.0105102 0.00966675 -0.060683 88 GLN F O +8256 C CB . GLN F 88 ? 1.05594 0.977463 1.14538 -0.0187876 -0.0154808 -0.0491646 88 GLN F CB +8257 C CG . GLN F 88 ? 0.950928 0.89253 1.05996 -0.0229531 -0.0294731 -0.045307 88 GLN F CG +8258 C CD . GLN F 88 ? 0.896796 0.805362 0.966039 -0.0349551 -0.04269 -0.041709 88 GLN F CD +8259 O OE1 . GLN F 88 ? 0.899239 0.776396 0.928328 -0.0365643 -0.0311604 -0.0456382 88 GLN F OE1 +8260 N NE2 . GLN F 88 ? 1.13526 1.04984 1.21485 -0.0428432 -0.0677751 -0.0322653 88 GLN F NE2 +8261 N N . THR F 89 ? 0.986193 0.893315 1.08055 -0.0119775 0.00408029 -0.054801 89 THR F N +8262 C CA . THR F 89 ? 0.939488 0.847062 1.03653 -0.017085 0.0144679 -0.0594938 89 THR F CA +8263 C C . THR F 89 ? 0.86825 0.786745 0.983034 -0.00762253 0.0137013 -0.0650666 89 THR F C +8264 O O . THR F 89 ? 0.789069 0.698215 0.9063 0.00544083 0.00801513 -0.0624502 89 THR F O +8265 C CB . THR F 89 ? 1.01411 0.88525 1.08448 -0.0224031 0.0144746 -0.0554336 89 THR F CB +8266 O OG1 . THR F 89 ? 1.17743 1.03772 1.22792 -0.0285715 0.0195237 -0.0491155 89 THR F OG1 +8267 C CG2 . THR F 89 ? 1.04187 0.904191 1.1089 -0.0333691 0.0201799 -0.0588123 89 THR F CG2 +8268 N N . ASP F 90 ? 0.745689 0.683653 0.871397 -0.0117621 0.0204091 -0.070923 90 ASP F N +8269 C CA . ASP F 90 ? 0.716848 0.65665 0.848357 -0.00204292 0.0233457 -0.0766044 90 ASP F CA +8270 C C . ASP F 90 ? 0.680128 0.629009 0.809238 -0.0127491 0.0274092 -0.0825516 90 ASP F C +8271 O O . ASP F 90 ? 0.688207 0.647944 0.81896 -0.0268713 0.0270719 -0.080025 90 ASP F O +8272 C CB . ASP F 90 ? 0.793901 0.759168 0.950393 0.0116514 0.0225334 -0.0729167 90 ASP F CB +8273 C CG . ASP F 90 ? 0.846376 0.808668 1.01076 0.0313998 0.0282111 -0.0718805 90 ASP F CG +8274 O OD1 . ASP F 90 ? 0.868909 0.811059 1.01461 0.0357201 0.037689 -0.0794215 90 ASP F OD1 +8275 O OD2 . ASP F 90 ? 0.803538 0.783164 0.99159 0.0433395 0.0235744 -0.0619498 90 ASP F OD2 +8276 N N . ILE F 91 ? 0.717462 0.661375 0.841457 -0.00483057 0.0316523 -0.0885766 91 ILE F N +8277 C CA . ILE F 91 ? 0.739135 0.692997 0.858918 -0.0133282 0.0324118 -0.0932774 91 ILE F CA +8278 C C . ILE F 91 ? 0.828963 0.817931 0.972381 -0.00615591 0.0368739 -0.0911146 91 ILE F C +8279 O O . ILE F 91 ? 0.987736 0.985535 1.14509 0.00721999 0.041579 -0.0886467 91 ILE F O +8280 C CB . ILE F 91 ? 0.814096 0.730251 0.900428 -0.00905912 0.0354965 -0.101511 91 ILE F CB +8281 C CG1 . ILE F 91 ? 0.776323 0.694016 0.848082 -0.0220858 0.0307545 -0.105773 91 ILE F CG1 +8282 C CG2 . ILE F 91 ? 0.949922 0.861688 1.03945 0.0169737 0.0487515 -0.101782 91 ILE F CG2 +8283 C CD1 . ILE F 91 ? 0.8105 0.671496 0.830032 -0.0248782 0.0294895 -0.114649 91 ILE F CD1 +8284 N N . TYR F 92 ? 0.906467 0.916403 1.05604 -0.0154442 0.0349131 -0.0895931 92 TYR F N +8285 C CA . TYR F 92 ? 0.821324 0.855392 0.984808 -0.00986667 0.0391289 -0.0872937 92 TYR F CA +8286 C C . TYR F 92 ? 0.844728 0.881728 0.997204 -0.0126922 0.0388848 -0.0905291 92 TYR F C +8287 O O . TYR F 92 ? 0.738866 0.77413 0.88292 -0.024258 0.0309459 -0.0902722 92 TYR F O +8288 C CB . TYR F 92 ? 0.774496 0.823291 0.947758 -0.0129649 0.0387419 -0.0804718 92 TYR F CB +8289 C CG . TYR F 92 ? 0.708356 0.746846 0.881909 -0.0110371 0.0369425 -0.0770799 92 TYR F CG +8290 C CD1 . TYR F 92 ? 0.806761 0.82805 0.972763 -0.0144609 0.0338315 -0.076231 92 TYR F CD1 +8291 C CD2 . TYR F 92 ? 0.717817 0.758373 0.893436 -0.00830086 0.035929 -0.0738492 92 TYR F CD2 +8292 C CE1 . TYR F 92 ? 0.783708 0.791256 0.943743 -0.0127588 0.0296945 -0.0721798 92 TYR F CE1 +8293 C CE2 . TYR F 92 ? 0.698284 0.724612 0.867297 -0.00964524 0.029188 -0.0698685 92 TYR F CE2 +8294 C CZ . TYR F 92 ? 0.741271 0.75172 0.902447 -0.0105798 0.0259139 -0.0690035 92 TYR F CZ +8295 O OH . TYR F 92 ? 0.736625 0.729412 0.885864 -0.0118897 0.0167225 -0.0641509 92 TYR F OH +8296 N N . PHE F 93 ? 0.919494 0.961885 1.0721 -0.00416328 0.0461026 -0.0914873 93 PHE F N +8297 C CA . PHE F 93 ? 0.84509 0.882895 0.978748 -0.0052746 0.0461604 -0.094404 93 PHE F CA +8298 C C . PHE F 93 ? 0.793249 0.851107 0.935757 -0.00266064 0.0489147 -0.089055 93 PHE F C +8299 O O . PHE F 93 ? 0.724739 0.789535 0.879196 0.00282531 0.0566725 -0.0861549 93 PHE F O +8300 C CB . PHE F 93 ? 0.818371 0.834027 0.932792 0.00563585 0.0579527 -0.0997404 93 PHE F CB +8301 C CG . PHE F 93 ? 0.908075 0.889124 0.999544 0.00757577 0.0581173 -0.105809 93 PHE F CG +8302 C CD1 . PHE F 93 ? 0.876682 0.824015 0.928688 -0.00425196 0.0477748 -0.112196 93 PHE F CD1 +8303 C CD2 . PHE F 93 ? 0.941014 0.919688 1.04689 0.0207399 0.0669423 -0.103633 93 PHE F CD2 +8304 C CE1 . PHE F 93 ? 0.835984 0.738427 0.855461 -0.00327741 0.0482904 -0.118292 93 PHE F CE1 +8305 C CE2 . PHE F 93 ? 0.97572 0.91459 1.05402 0.0265315 0.0692055 -0.108525 93 PHE F CE2 +8306 C CZ . PHE F 93 ? 0.965457 0.861746 0.996822 0.014179 0.0607564 -0.116819 93 PHE F CZ +8307 N N . CYS F 94 ? 0.881758 0.946829 1.01662 -0.00757188 0.0409532 -0.0862715 94 CYS F N +8308 C CA . CYS F 94 ? 0.992791 1.06929 1.12775 -0.00234671 0.0434155 -0.0804854 94 CYS F CA +8309 C C . CYS F 94 ? 1.05741 1.1175 1.16761 0.00153858 0.0496695 -0.0842344 94 CYS F C +8310 O O . CYS F 94 ? 1.02493 1.06582 1.10923 -0.0019221 0.0452312 -0.0896769 94 CYS F O +8311 C CB . CYS F 94 ? 1.02797 1.12276 1.16715 -0.00546499 0.031952 -0.072409 94 CYS F CB +8312 S SG . CYS F 94 ? 0.996954 1.11671 1.16637 -0.00914452 0.0288315 -0.0634181 94 CYS F SG +8313 N N . LYS F 95 ? 1.12467 1.18674 1.23692 0.00715782 0.0600051 -0.0804923 95 LYS F N +8314 C CA . LYS F 95 ? 1.10377 1.15213 1.19557 0.011172 0.071408 -0.0813062 95 LYS F CA +8315 C C . LYS F 95 ? 1.19713 1.2461 1.28005 0.0131061 0.0715186 -0.0740107 95 LYS F C +8316 O O . LYS F 95 ? 1.27044 1.327 1.3665 0.013561 0.0691665 -0.0689057 95 LYS F O +8317 C CB . LYS F 95 ? 1.13269 1.18528 1.24323 0.0140984 0.0858966 -0.0809349 95 LYS F CB +8318 C CG . LYS F 95 ? 1.51432 1.55635 1.60886 0.0207317 0.104623 -0.0797778 95 LYS F CG +8319 C CD . LYS F 95 ? 1.74232 1.80256 1.86231 0.0195643 0.119276 -0.0694546 95 LYS F CD +8320 C CE . LYS F 95 ? 1.75507 1.81159 1.86469 0.0117284 0.116485 -0.0634213 95 LYS F CE +8321 N NZ . LYS F 95 ? 1.54794 1.61416 1.67234 0.00375012 0.127668 -0.0520565 95 LYS F NZ +8322 N N . ILE F 96 ? 1.23107 1.26405 1.28347 0.0157221 0.0749858 -0.0732112 96 ILE F N +8323 C CA . ILE F 96 ? 1.07111 1.098 1.10799 0.0193839 0.0744532 -0.0653554 96 ILE F CA +8324 C C . ILE F 96 ? 1.01436 1.01911 1.02005 0.0206617 0.0884777 -0.0644472 96 ILE F C +8325 O O . ILE F 96 ? 1.14682 1.13627 1.12885 0.0216311 0.0925495 -0.0701376 96 ILE F O +8326 C CB . ILE F 96 ? 1.03263 1.06755 1.06309 0.0228365 0.0557632 -0.0604385 96 ILE F CB +8327 C CG1 . ILE F 96 ? 1.02133 1.04777 1.03385 0.0319938 0.0553678 -0.0502434 96 ILE F CG1 +8328 C CG2 . ILE F 96 ? 1.06222 1.08832 1.06906 0.0171319 0.0423185 -0.0649759 96 ILE F CG2 +8329 C CD1 . ILE F 96 ? 1.05293 1.07671 1.07677 0.037524 0.0643716 -0.0449174 96 ILE F CD1 +8330 N N . GLU F 97 ? 1.04255 1.03832 1.04052 0.0206429 0.0969247 -0.0567356 97 GLU F N +8331 C CA . GLU F 97 ? 1.14 1.11119 1.10063 0.0221413 0.108839 -0.0528053 97 GLU F CA +8332 C C . GLU F 97 ? 1.10223 1.05604 1.03997 0.025837 0.104227 -0.0437478 97 GLU F C +8333 O O . GLU F 97 ? 1.13774 1.09116 1.08822 0.0239293 0.10414 -0.0391769 97 GLU F O +8334 C CB . GLU F 97 ? 1.18431 1.15718 1.15465 0.0170526 0.133007 -0.0500814 97 GLU F CB +8335 C CG . GLU F 97 ? 1.18095 1.17411 1.1922 0.00615441 0.136578 -0.0440139 97 GLU F CG +8336 C CD . GLU F 97 ? 1.16379 1.17039 1.19397 0.00049841 0.159498 -0.0361432 97 GLU F CD +8337 O OE1 . GLU F 97 ? 1.26651 1.28388 1.32027 -0.0142865 0.161281 -0.0261443 97 GLU F OE1 +8338 O OE2 . GLU F 97 ? 0.994992 0.999002 1.01386 0.0104536 0.175527 -0.0384706 97 GLU F OE2 +8339 N N . VAL F 98 ? 1.07608 1.00817 0.972243 0.0320181 0.0996867 -0.0408765 98 VAL F N +8340 C CA . VAL F 98 ? 1.10432 1.01486 0.97161 0.0396827 0.0951929 -0.0305765 98 VAL F CA +8341 C C . VAL F 98 ? 1.1528 1.03003 0.981953 0.0351261 0.114782 -0.0255227 98 VAL F C +8342 O O . VAL F 98 ? 1.22028 1.08699 1.02777 0.0328995 0.125489 -0.0290939 98 VAL F O +8343 C CB . VAL F 98 ? 1.12412 1.03936 0.975317 0.0489719 0.0712965 -0.0279735 98 VAL F CB +8344 C CG1 . VAL F 98 ? 1.3393 1.22465 1.14463 0.0590019 0.0666123 -0.0164999 98 VAL F CG1 +8345 C CG2 . VAL F 98 ? 0.999369 0.951595 0.893456 0.0543152 0.0547439 -0.0258959 98 VAL F CG2 +8346 N N . MET F 99 ? 1.12813 0.982285 0.942359 0.0339075 0.121593 -0.0163603 99 MET F N +8347 C CA . MET F 99 ? 1.1778 1.0013 0.958817 0.0254896 0.141841 -0.00922786 99 MET F CA +8348 C C . MET F 99 ? 1.23337 1.01463 0.958761 0.0363345 0.136503 0.00052907 99 MET F C +8349 O O . MET F 99 ? 1.31331 1.0662 0.99522 0.0355814 0.147368 0.00486528 99 MET F O +8350 C CB . MET F 99 ? 1.21898 1.04485 1.02579 0.00692171 0.155363 -0.00430843 99 MET F CB +8351 C CG . MET F 99 ? 1.18222 1.04416 1.03311 -0.00587677 0.170657 -0.00654123 99 MET F CG +8352 S SD . MET F 99 ? 1.22689 1.07932 1.05304 -0.00772656 0.201328 0.00027258 99 MET F SD +8353 C CE . MET F 99 ? 1.2634 1.07109 1.04658 -0.0211736 0.212311 0.0163716 99 MET F CE +8354 N N . TYR F 100 ? 1.27329 1.04619 0.996949 0.0481529 0.122926 0.00560139 100 TYR F N +8355 C CA . TYR F 100 ? 1.29524 1.02749 0.96872 0.063312 0.117473 0.0174187 100 TYR F CA +8356 C C . TYR F 100 ? 1.3316 1.08349 1.02017 0.0871326 0.0958863 0.021905 100 TYR F C +8357 O O . TYR F 100 ? 1.54773 1.32476 1.27586 0.090068 0.0933288 0.0183328 100 TYR F O +8358 C CB . TYR F 100 ? 1.25556 0.940922 0.901005 0.0554943 0.131667 0.0254682 100 TYR F CB +8359 C CG . TYR F 100 ? 1.31182 0.97812 0.942926 0.0299461 0.154089 0.0281286 100 TYR F CG +8360 C CD1 . TYR F 100 ? 1.41685 1.04387 0.993883 0.0297726 0.164609 0.0369721 100 TYR F CD1 +8361 C CD2 . TYR F 100 ? 1.27066 0.960452 0.943936 0.00566445 0.16495 0.0248253 100 TYR F CD2 +8362 C CE1 . TYR F 100 ? 1.44464 1.0582 1.01244 0.00634605 0.189137 0.0430237 100 TYR F CE1 +8363 C CE2 . TYR F 100 ? 1.26747 0.950645 0.938591 -0.0182634 0.186224 0.032438 100 TYR F CE2 +8364 C CZ . TYR F 100 ? 1.38256 1.02903 1.0024 -0.0178916 0.200471 0.0417898 100 TYR F CZ +8365 O OH . TYR F 100 ? 1.3948 1.03951 1.01666 -0.0415256 0.225286 0.0523729 100 TYR F OH +8366 N N . PRO F 101 ? 1.4214 1.16495 1.08077 0.105492 0.0799797 0.0323746 101 PRO F N +8367 C CA . PRO F 101 ? 1.51137 1.2202 1.11525 0.102726 0.0804107 0.0366527 101 PRO F CA +8368 C C . PRO F 101 ? 1.47939 1.20651 1.08581 0.0879036 0.0780033 0.0248316 101 PRO F C +8369 O O . PRO F 101 ? 1.3562 1.12568 1.00481 0.0844156 0.0658178 0.0162756 101 PRO F O +8370 C CB . PRO F 101 ? 1.53558 1.23791 1.1157 0.129131 0.0572825 0.0533014 101 PRO F CB +8371 C CG . PRO F 101 ? 1.50011 1.22355 1.1198 0.148327 0.0559816 0.0596513 101 PRO F CG +8372 C CD . PRO F 101 ? 1.48237 1.25029 1.16037 0.131537 0.0606708 0.0439551 101 PRO F CD +8373 N N . PRO F 102 ? 1.56164 1.25047 1.11769 0.0786518 0.0936196 0.0241291 102 PRO F N +8374 C CA . PRO F 102 ? 1.49106 1.18284 1.0367 0.0679687 0.0988508 0.0126897 102 PRO F CA +8375 C C . PRO F 102 ? 1.47484 1.17875 1.00991 0.0726007 0.065433 0.0101468 102 PRO F C +8376 O O . PRO F 102 ? 1.37284 1.08399 0.90439 0.0846533 0.0376575 0.0214981 102 PRO F O +8377 C CB . PRO F 102 ? 1.62232 1.26028 1.10253 0.0640088 0.122831 0.0185619 102 PRO F CB +8378 C CG . PRO F 102 ? 1.64395 1.26776 1.13154 0.0608026 0.139475 0.0284912 102 PRO F CG +8379 C CD . PRO F 102 ? 1.67596 1.31163 1.17954 0.0779702 0.111817 0.0347619 102 PRO F CD +8380 N N . PRO F 103 ? 1.5379 1.24131 1.06454 0.0626943 0.0671751 -0.00291521 103 PRO F N +8381 C CA . PRO F 103 ? 1.47171 1.17086 1.00694 0.0542513 0.103274 -0.0126475 103 PRO F CA +8382 C C . PRO F 103 ? 1.37496 1.12402 0.987116 0.0487092 0.110991 -0.0205885 103 PRO F C +8383 O O . PRO F 103 ? 1.23095 1.01649 0.888658 0.0504657 0.0891893 -0.0208886 103 PRO F O +8384 C CB . PRO F 103 ? 1.49965 1.15941 0.971487 0.0521315 0.101416 -0.0212754 103 PRO F CB +8385 C CG . PRO F 103 ? 1.5341 1.2074 1.00593 0.0503128 0.0561615 -0.0221259 103 PRO F CG +8386 C CD . PRO F 103 ? 1.56604 1.26542 1.06576 0.0592758 0.0346105 -0.0065892 103 PRO F CD +8387 N N . TYR F 104 ? 1.41945 1.17018 1.04522 0.0431462 0.144048 -0.024033 104 TYR F N +8388 C CA . TYR F 104 ? 1.31989 1.11232 1.00965 0.0381748 0.153168 -0.0311577 104 TYR F CA +8389 C C . TYR F 104 ? 1.25595 1.05028 0.940116 0.0399985 0.137271 -0.0438945 104 TYR F C +8390 O O . TYR F 104 ? 1.23665 0.992579 0.865299 0.0429567 0.144012 -0.0492172 104 TYR F O +8391 C CB . TYR F 104 ? 1.29381 1.09299 1.00212 0.0334859 0.191586 -0.0269799 104 TYR F CB +8392 C CG . TYR F 104 ? 1.08999 0.929424 0.856897 0.0322917 0.198407 -0.0336903 104 TYR F CG +8393 C CD1 . TYR F 104 ? 1.09766 0.976257 0.925454 0.0246671 0.186289 -0.0330078 104 TYR F CD1 +8394 C CD2 . TYR F 104 ? 1.05293 0.883903 0.80665 0.040881 0.215529 -0.0406691 104 TYR F CD2 +8395 C CE1 . TYR F 104 ? 1.13953 1.052 1.01663 0.0243698 0.187644 -0.0385147 104 TYR F CE1 +8396 C CE2 . TYR F 104 ? 1.07564 0.939141 0.878823 0.0430745 0.218143 -0.0462543 104 TYR F CE2 +8397 C CZ . TYR F 104 ? 1.134 1.04109 1.00153 0.0341446 0.203062 -0.0447385 104 TYR F CZ +8398 O OH . TYR F 104 ? 1.13526 1.07234 1.04902 0.0366079 0.204956 -0.0485987 104 TYR F OH +8399 N N . LEU F 105 ? 1.144 0.975618 0.878198 0.0373196 0.116701 -0.0483806 105 LEU F N +8400 C CA . LEU F 105 ? 1.0949 0.929568 0.830374 0.0346401 0.101847 -0.0594739 105 LEU F CA +8401 C C . LEU F 105 ? 1.08835 0.964978 0.891483 0.0320963 0.107284 -0.063395 105 LEU F C +8402 O O . LEU F 105 ? 1.04202 0.948352 0.889437 0.0307936 0.105824 -0.0575974 105 LEU F O +8403 C CB . LEU F 105 ? 1.14604 0.984111 0.869685 0.030896 0.0629226 -0.0574331 105 LEU F CB +8404 C CG . LEU F 105 ? 1.2611 1.05873 0.915843 0.0319404 0.0470682 -0.0515907 105 LEU F CG +8405 C CD1 . LEU F 105 ? 1.25888 1.08249 0.927804 0.0298714 0.00688978 -0.0411032 105 LEU F CD1 +8406 C CD2 . LEU F 105 ? 1.27338 1.0136 0.85307 0.0279714 0.0501922 -0.0616783 105 LEU F CD2 +8407 N N . ASP F 106 ? 1.28193 1.1526 1.08405 0.0319766 0.112038 -0.0733676 106 ASP F N +8408 C CA . ASP F 106 ? 1.18336 1.08683 1.03982 0.0298866 0.111275 -0.0778118 106 ASP F CA +8409 C C . ASP F 106 ? 1.20694 1.10255 1.05037 0.0227199 0.0839067 -0.0855431 106 ASP F C +8410 O O . ASP F 106 ? 1.39139 1.25559 1.18352 0.018045 0.0666107 -0.0872742 106 ASP F O +8411 C CB . ASP F 106 ? 1.21964 1.12442 1.09042 0.0375161 0.142966 -0.0787448 106 ASP F CB +8412 C CG . ASP F 106 ? 1.44217 1.30097 1.25787 0.0472582 0.159337 -0.0865746 106 ASP F CG +8413 O OD1 . ASP F 106 ? 1.77536 1.58918 1.52465 0.0476182 0.155993 -0.0890625 106 ASP F OD1 +8414 O OD2 . ASP F 106 ? 1.50439 1.3666 1.3375 0.0564809 0.176794 -0.0893322 106 ASP F OD2 +8415 N N . ASN F 107 ? 1.07864 1.00056 0.965834 0.0190865 0.0779711 -0.0888327 107 ASN F N +8416 C CA . ASN F 107 ? 1.10603 1.02564 0.988598 0.00787068 0.0517106 -0.0933181 107 ASN F CA +8417 C C . ASN F 107 ? 1.19833 1.0744 1.04091 0.00712831 0.0573818 -0.105075 107 ASN F C +8418 O O . ASN F 107 ? 1.11614 0.982249 0.961026 0.0197417 0.0844192 -0.108632 107 ASN F O +8419 C CB . ASN F 107 ? 1.04925 1.01395 0.992929 0.00387918 0.0428758 -0.0893785 107 ASN F CB +8420 C CG . ASN F 107 ? 1.09303 1.06678 1.0678 0.00957757 0.0620202 -0.0933739 107 ASN F CG +8421 O OD1 . ASN F 107 ? 1.09735 1.08507 1.0944 0.0166858 0.0799174 -0.0891032 107 ASN F OD1 +8422 N ND2 . ASN F 107 ? 1.15857 1.12541 1.13639 0.00428751 0.0552532 -0.0995039 107 ASN F ND2 +8423 N N . GLU F 108 ? 1.41495 1.26507 1.22118 -0.00825945 0.0301644 -0.109024 108 GLU F N +8424 C CA . GLU F 108 ? 1.48225 1.27862 1.23919 -0.0131582 0.029129 -0.120667 108 GLU F CA +8425 C C . GLU F 108 ? 1.43715 1.2623 1.24569 -0.017862 0.0258552 -0.121498 108 GLU F C +8426 O O . GLU F 108 ? 1.23442 1.10167 1.08598 -0.0322865 0.0032004 -0.11414 108 GLU F O +8427 C CB . GLU F 108 ? 1.64381 1.39479 1.33475 -0.0343955 -0.00412933 -0.123185 108 GLU F CB +8428 C CG . GLU F 108 ? 1.7876 1.4544 1.39636 -0.0375138 -0.000705 -0.137335 108 GLU F CG +8429 C CD . GLU F 108 ? 2.11562 1.70573 1.62222 -0.0425294 -0.00930945 -0.142717 108 GLU F CD +8430 O OE1 . GLU F 108 ? 2.33448 1.94126 1.83588 -0.0508746 -0.0300696 -0.133885 108 GLU F OE1 +8431 O OE2 . GLU F 108 ? 2.12566 1.63362 1.55172 -0.034757 0.00737933 -0.155148 108 GLU F OE2 +8432 N N . LYS F 109 ? 1.3971 1.19905 1.19983 -0.00300176 0.0508869 -0.128377 109 LYS F N +8433 C CA . LYS F 109 ? 1.3398 1.16732 1.19138 -0.00089456 0.0546851 -0.127985 109 LYS F CA +8434 C C . LYS F 109 ? 1.35265 1.19375 1.21937 -0.0256596 0.0232168 -0.126033 109 LYS F C +8435 O O . LYS F 109 ? 1.36427 1.15872 1.17905 -0.0424778 0.0047826 -0.131631 109 LYS F O +8436 C CB . LYS F 109 ? 1.38579 1.16023 1.19755 0.0161405 0.0776055 -0.13637 109 LYS F CB +8437 C CG . LYS F 109 ? 1.48102 1.26589 1.32777 0.0214784 0.0818489 -0.136269 109 LYS F CG +8438 C CD . LYS F 109 ? 1.62596 1.47587 1.54907 0.0341997 0.0957865 -0.126062 109 LYS F CD +8439 C CE . LYS F 109 ? 1.60941 1.46427 1.56008 0.0433208 0.101002 -0.124497 109 LYS F CE +8440 N NZ . LYS F 109 ? 1.6135 1.40536 1.51063 0.0592695 0.115758 -0.131512 109 LYS F NZ +8441 N N . SER F 110 ? 1.27533 1.17537 1.20824 -0.0289251 0.0180319 -0.117114 110 SER F N +8442 C CA . SER F 110 ? 1.22894 1.15062 1.18453 -0.0507174 -0.0064959 -0.111289 110 SER F CA +8443 C C . SER F 110 ? 1.18029 1.07224 1.12564 -0.0566406 -0.00603548 -0.117283 110 SER F C +8444 O O . SER F 110 ? 1.21619 1.08393 1.15194 -0.0382887 0.0150482 -0.123841 110 SER F O +8445 C CB . SER F 110 ? 1.16855 1.15278 1.18709 -0.0485021 -0.00707464 -0.0991802 110 SER F CB +8446 O OG . SER F 110 ? 1.19296 1.18831 1.24155 -0.0372913 0.00951381 -0.100274 110 SER F OG +8447 N N . ASN F 111 ? 1.13561 1.03146 1.08488 -0.0823428 -0.0294652 -0.112437 111 ASN F N +8448 C CA . ASN F 111 ? 1.21705 1.07965 1.15207 -0.0919513 -0.0312259 -0.116673 111 ASN F CA +8449 C C . ASN F 111 ? 1.12328 1.01946 1.10892 -0.0768387 -0.0141049 -0.112786 111 ASN F C +8450 O O . ASN F 111 ? 1.21848 1.08265 1.19043 -0.0718294 -0.00640201 -0.117583 111 ASN F O +8451 C CB . ASN F 111 ? 1.26606 1.1282 1.19619 -0.128146 -0.0612657 -0.109324 111 ASN F CB +8452 C CG . ASN F 111 ? 1.25898 1.06481 1.11929 -0.147567 -0.0828826 -0.115383 111 ASN F CG +8453 O OD1 . ASN F 111 ? 1.15486 0.920858 0.967903 -0.13048 -0.0717762 -0.125538 111 ASN F OD1 +8454 N ND2 . ASN F 111 ? 1.4663 1.26504 1.31564 -0.185015 -0.114088 -0.10808 111 ASN F ND2 +8455 N N . GLY F 112 ? 1.00043 0.954609 1.03782 -0.069177 -0.00916883 -0.103526 112 GLY F N +8456 C CA . GLY F 112 ? 1.00738 0.984599 1.08142 -0.0567665 0.00430916 -0.100041 112 GLY F CA +8457 C C . GLY F 112 ? 1.1466 1.15316 1.25129 -0.0726259 -0.00411491 -0.0890158 112 GLY F C +8458 O O . GLY F 112 ? 1.20132 1.22129 1.30984 -0.0934652 -0.0202223 -0.0815461 112 GLY F O +8459 N N . THR F 113 ? 1.05128 1.06891 1.17808 -0.0627733 0.00709269 -0.0860184 113 THR F N +8460 C CA . THR F 113 ? 0.998749 1.03867 1.14977 -0.0733646 0.00615509 -0.0749513 113 THR F CA +8461 C C . THR F 113 ? 0.993627 1.00983 1.1385 -0.0652357 0.0147687 -0.0777601 113 THR F C +8462 O O . THR F 113 ? 0.822965 0.837842 0.971 -0.0477894 0.0231162 -0.0808239 113 THR F O +8463 C CB . THR F 113 ? 0.985098 1.07204 1.16923 -0.0659561 0.0119689 -0.0634212 113 THR F CB +8464 O OG1 . THR F 113 ? 1.05086 1.15624 1.25585 -0.0702999 0.0186344 -0.0515066 113 THR F OG1 +8465 C CG2 . THR F 113 ? 1.10062 1.18721 1.28503 -0.0444347 0.0242507 -0.0676355 113 THR F CG2 +8466 N N . ILE F 114 ? 0.9872 0.983405 1.12183 -0.0808104 0.0100016 -0.0749764 114 ILE F N +8467 C CA . ILE F 114 ? 0.967898 0.938265 1.09266 -0.0750282 0.0157691 -0.0751819 114 ILE F CA +8468 C C . ILE F 114 ? 0.83117 0.829619 0.978804 -0.0727152 0.0249091 -0.0640586 114 ILE F C +8469 O O . ILE F 114 ? 0.888014 0.910045 1.05218 -0.0871733 0.026095 -0.0527874 114 ILE F O +8470 C CB . ILE F 114 ? 1.15568 1.08633 1.25334 -0.0947342 0.00788213 -0.0752197 114 ILE F CB +8471 C CG1 . ILE F 114 ? 1.20303 1.09105 1.26242 -0.0993687 -0.00088219 -0.0863041 114 ILE F CG1 +8472 C CG2 . ILE F 114 ? 1.32965 1.23022 1.41368 -0.0865252 0.0136484 -0.0739421 114 ILE F CG2 +8473 C CD1 . ILE F 114 ? 1.36537 1.22913 1.40805 -0.0707187 0.00852352 -0.0966343 114 ILE F CD1 +8474 N N . ILE F 115 ? 0.694354 0.688517 0.840714 -0.0554125 0.031285 -0.0655357 115 ILE F N +8475 C CA . ILE F 115 ? 0.766832 0.770367 0.91759 -0.0517517 0.041115 -0.0564653 115 ILE F CA +8476 C C . ILE F 115 ? 0.873339 0.841062 1.00123 -0.0521509 0.0408419 -0.0549575 115 ILE F C +8477 O O . ILE F 115 ? 0.920403 0.867279 1.03665 -0.0417783 0.0343222 -0.0602805 115 ILE F O +8478 C CB . ILE F 115 ? 0.77236 0.786253 0.925819 -0.0363238 0.0452967 -0.0579884 115 ILE F CB +8479 C CG1 . ILE F 115 ? 0.889613 0.935163 1.06147 -0.0340282 0.0467766 -0.0576696 115 ILE F CG1 +8480 C CG2 . ILE F 115 ? 0.743412 0.745467 0.881797 -0.0310593 0.0557231 -0.0504355 115 ILE F CG2 +8481 C CD1 . ILE F 115 ? 0.877615 0.924615 1.04549 -0.020962 0.0503863 -0.0594809 115 ILE F CD1 +8482 N N . HIS F 116 ? 0.925126 0.888757 1.04899 -0.0638676 0.0480559 -0.0451742 116 HIS F N +8483 C CA . HIS F 116 ? 0.906226 0.831524 1.00204 -0.0642685 0.0493454 -0.0418655 116 HIS F CA +8484 C C . HIS F 116 ? 0.918832 0.840968 1.00167 -0.0541669 0.0615803 -0.0352089 116 HIS F C +8485 O O . HIS F 116 ? 1.0514 0.991861 1.14244 -0.0571467 0.0781364 -0.0245478 116 HIS F O +8486 C CB . HIS F 116 ? 0.894804 0.805314 0.983713 -0.0851501 0.0507687 -0.0346182 116 HIS F CB +8487 C CG . HIS F 116 ? 0.878149 0.740502 0.931371 -0.0858788 0.0511248 -0.0312228 116 HIS F CG +8488 N ND1 . HIS F 116 ? 0.874752 0.71802 0.915691 -0.105788 0.0559989 -0.021674 116 HIS F ND1 +8489 C CD2 . HIS F 116 ? 0.892705 0.721509 0.919039 -0.0704863 0.0451503 -0.0342357 116 HIS F CD2 +8490 C CE1 . HIS F 116 ? 0.9106 0.706391 0.914077 -0.100133 0.0552664 -0.0199726 116 HIS F CE1 +8491 N NE2 . HIS F 116 ? 0.909845 0.696834 0.904584 -0.0782319 0.046734 -0.0274996 116 HIS F NE2 +8492 N N . VAL F 117 ? 0.92143 0.816947 0.980617 -0.0426449 0.0535647 -0.0394535 117 VAL F N +8493 C CA . VAL F 117 ? 1.01891 0.892396 1.04704 -0.0355472 0.0624663 -0.0341582 117 VAL F CA +8494 C C . VAL F 117 ? 1.26668 1.09812 1.25703 -0.0397196 0.0665118 -0.0268437 117 VAL F C +8495 O O . VAL F 117 ? 1.35245 1.15486 1.32473 -0.0393002 0.0498145 -0.0290494 117 VAL F O +8496 C CB . VAL F 117 ? 1.01723 0.879524 1.03391 -0.0271711 0.0465614 -0.0404889 117 VAL F CB +8497 C CG1 . VAL F 117 ? 1.1611 0.990137 1.13361 -0.021908 0.0538929 -0.0368063 117 VAL F CG1 +8498 C CG2 . VAL F 117 ? 0.968993 0.869725 1.02272 -0.0246468 0.0419775 -0.0473302 117 VAL F CG2 +8499 N N . LYS F 118 ? 1.28253 1.11062 1.2602 -0.0413907 0.0903748 -0.0159477 118 LYS F N +8500 C CA . LYS F 118 ? 1.17818 0.968193 1.12077 -0.0476878 0.0995301 -0.00665269 118 LYS F CA +8501 C C . LYS F 118 ? 1.14908 0.887602 1.03028 -0.0367935 0.106832 -0.00351637 118 LYS F C +8502 O O . LYS F 118 ? 1.09459 0.831493 0.963648 -0.0255037 0.111185 -0.00672344 118 LYS F O +8503 C CB . LYS F 118 ? 1.06297 0.884007 1.03313 -0.059778 0.123208 0.00721195 118 LYS F CB +8504 C CG . LYS F 118 ? 1.16019 1.00966 1.17061 -0.0783633 0.109723 0.00499889 118 LYS F CG +8505 C CD . LYS F 118 ? 1.41325 1.22544 1.40173 -0.0955684 0.104112 0.00893682 118 LYS F CD +8506 C CE . LYS F 118 ? 1.54534 1.36705 1.54017 -0.11363 0.126407 0.0279773 118 LYS F CE +8507 N NZ . LYS F 118 ? 1.57668 1.46673 1.63037 -0.125499 0.136016 0.038759 118 LYS F NZ +8508 C C1 . NAG G . ? 1.99944 1.64039 1.58896 -0.18035 -0.233202 0.0198452 1 NAG G C1 +8509 C C2 . NAG G . ? 2.19999 1.79691 1.7263 -0.196071 -0.251548 0.0276637 1 NAG G C2 +8510 C C3 . NAG G . ? 2.40235 2.09986 1.9954 -0.210994 -0.29636 0.0631942 1 NAG G C3 +8511 C C4 . NAG G . ? 2.58775 2.35998 2.23368 -0.240972 -0.32429 0.0844291 1 NAG G C4 +8512 C C5 . NAG G . ? 2.20829 1.89688 1.77423 -0.273761 -0.315296 0.0636708 1 NAG G C5 +8513 C C6 . NAG G . ? 1.93988 1.69181 1.54902 -0.308582 -0.340081 0.0825965 1 NAG G C6 +8514 C C7 . NAG G . ? 2.30147 1.69859 1.5941 -0.261843 -0.2716 0.0221786 1 NAG G C7 +8515 C C8 . NAG G . ? 2.08629 1.34883 1.2257 -0.31525 -0.279122 0.0145678 1 NAG G C8 +8516 N N2 . NAG G . ? 2.40346 1.87706 1.79141 -0.238176 -0.257382 0.0191539 1 NAG G N2 +8517 O O3 . NAG G . ? 1.84756 1.61209 1.5292 -0.15919 -0.27642 0.0667407 1 NAG G O3 +8518 O O4 . NAG G . ? 2.94844 2.78051 2.6064 -0.279976 -0.377401 0.124119 1 NAG G O4 +8519 O O5 . NAG G . ? 1.98808 1.63897 1.56068 -0.227853 -0.263629 0.0329851 1 NAG G O5 +8520 O O6 . NAG G . ? 1.72714 1.39444 1.26389 -0.327802 -0.320531 0.0594346 1 NAG G O6 +8521 O O7 . NAG G . ? 2.15531 1.57699 1.47115 -0.241861 -0.27544 0.0299542 1 NAG G O7 +8522 C C1 . NAG G . ? 2.69824 2.6354 2.45504 -0.24689 -0.385897 0.154983 2 NAG G C1 +8523 C C2 . NAG G . ? 2.70904 2.76146 2.58069 -0.23645 -0.387632 0.180414 2 NAG G C2 +8524 C C3 . NAG G . ? 2.3796 2.54035 2.35327 -0.196368 -0.39064 0.220332 2 NAG G C3 +8525 C C4 . NAG G . ? 2.11885 2.3035 2.07153 -0.22053 -0.435212 0.256598 2 NAG G C4 +8526 C C5 . NAG G . ? 2.27584 2.33516 2.10354 -0.237532 -0.436344 0.224529 2 NAG G C5 +8527 C C6 . NAG G . ? 2.34888 2.42116 2.1364 -0.275134 -0.489394 0.261172 2 NAG G C6 +8528 C C7 . NAG G . ? 2.51657 2.56674 2.43587 -0.215344 -0.336129 0.144225 2 NAG G C7 +8529 C C8 . NAG G . ? 2.19793 2.30655 2.13447 -0.271214 -0.379415 0.179267 2 NAG G C8 +8530 N N2 . NAG G . ? 2.86597 2.89783 2.76057 -0.203326 -0.342446 0.147968 2 NAG G N2 +8531 O O3 . NAG G . ? 2.80365 3.06855 2.87498 -0.194033 -0.39459 0.251948 2 NAG G O3 +8532 O O4 . NAG G . ? 1.65667 1.91637 1.69015 -0.166732 -0.422139 0.286878 2 NAG G O4 +8533 O O5 . NAG G . ? 2.59391 2.55158 2.32622 -0.277713 -0.432009 0.188522 2 NAG G O5 +8534 O O6 . NAG G . ? 2.24683 2.46156 2.13637 -0.282546 -0.52782 0.322566 2 NAG G O6 +8535 O O7 . NAG G . ? 1.83032 1.85188 1.75685 -0.18444 -0.297854 0.115264 2 NAG G O7 +8536 N N1 . IMD H . ? 1.46365 1.38721 1.60981 0.00608985 0.0728612 -0.00504916 301 IMD A N1 +8537 C C2 . IMD H . ? 1.73026 1.64323 1.86913 0.00560864 0.0729113 -0.00136918 301 IMD A C2 +8538 N N3 . IMD H . ? 1.72029 1.6138 1.84591 0.0130585 0.0744968 -0.00025817 301 IMD A N3 +8539 C C4 . IMD H . ? 1.7743 1.667 1.89822 0.0201964 0.0764685 -0.00294191 301 IMD A C4 +8540 C C5 . IMD H . ? 1.61327 1.52612 1.75154 0.0147092 0.0754075 -0.00567014 301 IMD A C5 +8541 C C1 . GOL I . ? 1.40794 1.12762 1.19889 0.0900356 0.0956418 -0.0444311 302 GOL A C1 +8542 O O1 . GOL I . ? 1.13653 0.888986 0.969629 0.0782271 0.0981922 -0.0390068 302 GOL A O1 +8543 C C2 . GOL I . ? 1.58044 1.28412 1.36076 0.0856969 0.075777 -0.0557861 302 GOL A C2 +8544 O O2 . GOL I . ? 1.69223 1.35615 1.42284 0.096814 0.0720186 -0.060657 302 GOL A O2 +8545 C C3 . GOL I . ? 1.50731 1.22679 1.30789 0.0731946 0.0564116 -0.0594327 302 GOL A C3 +8546 O O3 . GOL I . ? 1.25106 0.960357 1.0443 0.0658784 0.0368235 -0.0667376 302 GOL A O3 +8550 C C1 . GOL M . ? 1.35056 1.04691 1.30696 0.0693851 0.0783391 0.0514542 301 GOL B C1 +8551 O O1 . GOL M . ? 1.56051 1.28321 1.52833 0.0892762 0.0757477 0.0534552 301 GOL B O1 +8552 C C2 . GOL M . ? 1.2458 0.971202 1.2258 0.050447 0.078675 0.0506368 301 GOL B C2 +8553 O O2 . GOL M . ? 1.21906 0.92134 1.18572 0.032365 0.0813455 0.0555222 301 GOL B O2 +8554 C C3 . GOL M . ? 1.24975 1.00414 1.2555 0.0449372 0.0777602 0.0432698 301 GOL B C3 +8555 O O3 . GOL M . ? 1.12117 0.906752 1.14791 0.0354004 0.0777759 0.0425495 301 GOL B O3 +8556 N N1 . IMD N . ? 1.71462 1.30567 1.57715 -0.072911 -0.13753 0.00215871 302 IMD B N1 +8557 C C2 . IMD N . ? 1.78151 1.3835 1.64272 -0.055372 -0.119528 -0.00483701 302 IMD B C2 +8558 N N3 . IMD N . ? 1.69301 1.30357 1.54903 -0.0497675 -0.11464 -0.00889888 302 IMD B N3 +8559 C C4 . IMD N . ? 1.7526 1.35784 1.60665 -0.0629509 -0.128897 -0.00519252 302 IMD B C4 +8560 C C5 . IMD N . ? 1.68828 1.28129 1.54628 -0.0774747 -0.143445 0.00188174 302 IMD B C5 +8561 N N1 . IMD O . ? 1.66378 1.62524 1.72082 0.39455 0.132606 0.193533 303 IMD B N1 +8562 C C2 . IMD O . ? 1.55417 1.49054 1.60841 0.387624 0.123628 0.190955 303 IMD B C2 +8563 N N3 . IMD O . ? 1.5499 1.51568 1.634 0.363763 0.116286 0.200533 303 IMD B N3 +8564 C C4 . IMD O . ? 1.54353 1.55209 1.64943 0.355357 0.119752 0.209627 303 IMD B C4 +8565 C C5 . IMD O . ? 1.50051 1.50746 1.59058 0.374265 0.13019 0.205596 303 IMD B C5 +8574 C C1 . NAG X . ? 1.59085 1.46896 1.69687 0.12018 0.272957 0.0635728 201 NAG C C1 +8575 C C2 . NAG X . ? 1.81412 1.60816 1.86018 0.15345 0.321568 0.0721273 201 NAG C C2 +8576 C C3 . NAG X . ? 1.54938 1.36122 1.61961 0.192487 0.358623 0.102304 201 NAG C C3 +8577 C C4 . NAG X . ? 1.42202 1.3654 1.60427 0.188313 0.346292 0.130369 201 NAG C C4 +8578 C C5 . NAG X . ? 1.54513 1.55832 1.78553 0.146853 0.326061 0.132813 201 NAG C C5 +8579 C C6 . NAG X . ? 1.50639 1.65592 1.86066 0.134083 0.318583 0.170753 201 NAG C C6 +8580 C C7 . NAG X . ? 2.11402 1.909 2.17226 0.115478 0.337171 0.0723808 201 NAG C C7 +8581 C C8 . NAG X . ? 1.70655 1.56039 1.83081 0.110156 0.372472 0.104075 201 NAG C C8 +8582 N N2 . NAG X . ? 2.1916 1.96036 2.22805 0.148616 0.352196 0.0792983 201 NAG C N2 +8583 O O3 . NAG X . ? 1.55019 1.28754 1.54665 0.207514 0.351338 0.0853848 201 NAG C O3 +8584 O O4 . NAG X . ? 1.28363 1.25717 1.50627 0.229171 0.397104 0.172656 201 NAG C O4 +8585 O O5 . NAG X . ? 1.5123 1.50075 1.71535 0.11363 0.275851 0.0948199 201 NAG C O5 +8586 O O6 . NAG X . ? 1.3822 1.58147 1.79355 0.131996 0.355432 0.20587 201 NAG C O6 +8587 O O7 . NAG X . ? 2.1803 1.95078 2.20504 0.0917432 0.300081 0.0447998 201 NAG C O7 +8588 C C1 . NAG Y . ? 1.69239 1.18883 1.44976 0.295845 0.273327 0.054285 202 NAG C C1 +8589 C C2 . NAG Y . ? 1.73468 1.33255 1.59405 0.332105 0.276306 0.094244 202 NAG C C2 +8590 C C3 . NAG Y . ? 1.89541 1.44061 1.72699 0.381702 0.338624 0.126943 202 NAG C C3 +8591 C C4 . NAG Y . ? 1.99312 1.45538 1.75919 0.413068 0.382053 0.141198 202 NAG C C4 +8592 C C5 . NAG Y . ? 1.93391 1.27975 1.58348 0.371924 0.378253 0.0966718 202 NAG C C5 +8593 C C6 . NAG Y . ? 2.04731 1.32408 1.64075 0.394434 0.410216 0.107454 202 NAG C C6 +8594 C C7 . NAG Y . ? 1.67113 1.46152 1.69146 0.307344 0.206093 0.105984 202 NAG C C7 +8595 C C8 . NAG Y . ? 1.60937 1.44549 1.66519 0.311926 0.188022 0.121257 202 NAG C C8 +8596 N N2 . NAG Y . ? 1.71537 1.39758 1.64178 0.306562 0.235105 0.0853579 202 NAG C N2 +8597 O O3 . NAG Y . ? 1.98862 1.63984 1.92426 0.411997 0.34115 0.16935 202 NAG C O3 +8598 O O4 . NAG Y . ? 2.1305 1.53245 1.86299 0.467829 0.450294 0.176845 202 NAG C O4 +8599 O O5 . NAG Y . ? 1.73104 1.13033 1.4089 0.316849 0.315981 0.0614004 202 NAG C O5 +8600 O O6 . NAG Y . ? 1.98495 1.36656 1.66942 0.402274 0.378569 0.124504 202 NAG C O6 +8601 O O7 . NAG Y . ? 1.41198 1.25488 1.4789 0.301 0.194162 0.111836 202 NAG C O7 +8602 C C1 . GOL Z . ? 1.11239 1.14175 1.21732 -0.107743 -0.00493694 -0.0297041 203 GOL C C1 +8603 O O1 . GOL Z . ? 1.06233 1.0555 1.15272 -0.0982896 0.0191205 -0.0335663 203 GOL C O1 +8604 C C2 . GOL Z . ? 1.29726 1.27653 1.34098 -0.146692 -0.0191145 -0.043307 203 GOL C C2 +8605 O O2 . GOL Z . ? 1.5121 1.51966 1.56033 -0.159495 -0.0439711 -0.0393241 203 GOL C O2 +8606 C C3 . GOL Z . ? 1.31093 1.19659 1.28493 -0.12909 -0.00330084 -0.0654984 203 GOL C C3 +8607 O O3 . GOL Z . ? 1.16905 1.04276 1.14019 -0.0917382 -0.00397607 -0.0725259 203 GOL C O3 +8608 C C1 . NAG AA . ? 1.90622 1.05981 1.2027 0.0648141 0.179016 -0.0523588 204 NAG C C1 +8609 C C2 . NAG AA . ? 2.24711 1.29858 1.4465 0.0535096 0.19891 -0.0542145 204 NAG C C2 +8610 C C3 . NAG AA . ? 2.30313 1.2209 1.38274 0.08558 0.252628 -0.0471139 204 NAG C C3 +8611 C C4 . NAG AA . ? 2.32353 1.18997 1.35421 0.0691598 0.26339 -0.0501072 204 NAG C C4 +8612 C C5 . NAG AA . ? 2.11617 1.10249 1.2614 0.102892 0.246545 -0.0436085 204 NAG C C5 +8613 C C6 . NAG AA . ? 2.16553 1.10521 1.26815 0.101671 0.263159 -0.0434188 204 NAG C C6 +8614 C C7 . NAG AA . ? 2.28688 1.36657 1.51424 0.0719699 0.193392 -0.0512055 204 NAG C C7 +8615 C C8 . NAG AA . ? 2.30099 1.29541 1.4372 0.00707493 0.181389 -0.0624399 204 NAG C C8 +8616 N N2 . NAG AA . ? 2.324 1.4468 1.59207 0.0759593 0.186293 -0.0505426 204 NAG C N2 +8617 O O3 . NAG AA . ? 2.36641 1.16709 1.3333 0.0573217 0.26934 -0.052581 204 NAG C O3 +8618 O O4 . NAG AA . ? 2.34938 1.07247 1.25091 0.096137 0.317449 -0.0434046 204 NAG C O4 +8619 O O5 . NAG AA . ? 1.79235 0.893227 1.041 0.0675049 0.199112 -0.0513181 204 NAG C O5 +8620 O O6 . NAG AA . ? 2.06374 1.11081 1.26659 0.122679 0.242238 -0.0395818 204 NAG C O6 +8621 O O7 . NAG AA . ? 2.30178 1.41514 1.56722 0.116992 0.206911 -0.0410446 204 NAG C O7 +8622 C C1 . NAG BA . ? 1.68684 2.29595 2.32319 -0.0844775 -0.0665533 0.320013 205 NAG C C1 +8623 C C2 . NAG BA . ? 1.61762 2.33267 2.32729 -0.136608 -0.0935128 0.373481 205 NAG C C2 +8624 C C3 . NAG BA . ? 1.53995 2.34898 2.35739 -0.0965708 -0.0526598 0.428885 205 NAG C C3 +8625 C C4 . NAG BA . ? 1.63148 2.4668 2.49041 -0.0284662 -0.0249109 0.449689 205 NAG C C4 +8626 C C5 . NAG BA . ? 1.61845 2.3285 2.38383 0.0139356 -0.00124586 0.388746 205 NAG C C5 +8627 C C6 . NAG BA . ? 1.40914 2.12792 2.19505 0.0715695 0.0211667 0.404566 205 NAG C C6 +8628 C C7 . NAG BA . ? 1.67004 2.24389 2.24882 -0.198278 -0.0928041 0.309584 205 NAG C C7 +8629 C C8 . NAG BA . ? 1.38245 1.95404 1.99258 -0.154055 -0.0402028 0.314706 205 NAG C C8 +8630 N N2 . NAG BA . ? 1.79826 2.47376 2.45564 -0.199262 -0.113765 0.355609 205 NAG C N2 +8631 O O3 . NAG BA . ? 1.29385 2.22267 2.19566 -0.146679 -0.0812486 0.487634 205 NAG C O3 +8632 O O4 . NAG BA . ? 1.85591 2.75828 2.80107 0.0155725 0.0249748 0.499966 205 NAG C O4 +8633 O O5 . NAG BA . ? 1.80205 2.44199 2.48185 -0.0275277 -0.0435571 0.339897 205 NAG C O5 +8634 O O6 . NAG BA . ? 1.12393 1.74228 1.84779 0.122514 0.0677328 0.367831 205 NAG C O6 +8635 O O7 . NAG BA . ? 1.54229 2.02807 2.02579 -0.232332 -0.113724 0.269581 205 NAG C O7 +8636 N N1 . IMD CA . ? 1.84234 1.38251 1.36752 -0.0199667 -0.0600494 -0.0891042 206 IMD C N1 +8637 C C2 . IMD CA . ? 1.85963 1.43037 1.40947 -0.00228966 -0.0654873 -0.082736 206 IMD C C2 +8638 N N3 . IMD CA . ? 1.89983 1.56605 1.52925 0.0007686 -0.0916191 -0.0730487 206 IMD C N3 +8639 C C4 . IMD CA . ? 1.79836 1.49977 1.45932 -0.0150903 -0.102924 -0.0730434 206 IMD C C4 +8640 C C5 . IMD CA . ? 1.80465 1.42727 1.39969 -0.0297109 -0.0848729 -0.0840238 206 IMD C C5 +8643 N N1 . IMD FA . ? 1.55274 1.32327 1.46604 -0.00208943 -0.0681188 -0.0314827 301 IMD D N1 +8644 C C2 . IMD FA . ? 1.70797 1.45953 1.60875 0.0015103 -0.0608736 -0.033568 301 IMD D C2 +8645 N N3 . IMD FA . ? 1.80745 1.53945 1.68945 -0.0104494 -0.0611395 -0.0368449 301 IMD D N3 +8646 C C4 . IMD FA . ? 1.77724 1.5198 1.65914 -0.0236917 -0.0710441 -0.0357444 301 IMD D C4 +8647 C C5 . IMD FA . ? 1.8015 1.56921 1.70529 -0.0164899 -0.0746923 -0.0311364 301 IMD D C5 +8648 C C1 . GOL GA . ? 1.33337 1.16123 1.0371 0.0642805 0.0157547 0.0887256 302 GOL D C1 +8649 O O1 . GOL GA . ? 1.23559 1.10533 1.00762 0.0786532 0.00833927 0.103703 302 GOL D O1 +8650 C C2 . GOL GA . ? 1.42501 1.21194 1.10632 0.0811292 0.0443726 0.0812832 302 GOL D C2 +8651 O O2 . GOL GA . ? 1.26368 1.05402 0.936872 0.0888231 0.0556768 0.0930062 302 GOL D O2 +8652 C C3 . GOL GA . ? 1.33075 1.12087 1.06195 0.10248 0.0522671 0.080502 302 GOL D C3 +8653 O O3 . GOL GA . ? 1.17711 0.928179 0.887055 0.116752 0.0791544 0.0750841 302 GOL D O3 +8654 C C1 . GOL HA . ? 1.36226 1.07058 1.28674 -0.0149806 -0.0241401 -0.0013531 303 GOL D C1 +8655 O O1 . GOL HA . ? 1.21072 0.898547 1.12991 -0.0245279 -0.0201059 -0.00015477 303 GOL D O1 +8656 C C2 . GOL HA . ? 1.52459 1.23702 1.44896 -0.0219129 -0.0327502 -0.00796358 303 GOL D C2 +8657 O O2 . GOL HA . ? 1.52523 1.25064 1.45081 -0.0121514 -0.034664 -0.00988 303 GOL D O2 +8658 C C3 . GOL HA . ? 1.55252 1.23685 1.45741 -0.0312086 -0.031494 -0.0134744 303 GOL D C3 +8659 O O3 . GOL HA . ? 1.64042 1.29979 1.53132 -0.0216717 -0.0184538 -0.011836 303 GOL D O3 +8662 N N1 . IMD KA . ? 1.42565 1.33784 1.33023 -0.188893 -0.179032 -0.028533 301 IMD E N1 +8663 C C2 . IMD KA . ? 1.50445 1.3873 1.37253 -0.17942 -0.166774 -0.0473887 301 IMD E C2 +8664 N N3 . IMD KA . ? 1.62636 1.48303 1.48302 -0.180728 -0.159435 -0.0603344 301 IMD E N3 +8665 C C4 . IMD KA . ? 1.61598 1.48502 1.50074 -0.190954 -0.166853 -0.0504144 301 IMD E C4 +8666 C C5 . IMD KA . ? 1.45829 1.36245 1.37374 -0.195726 -0.17867 -0.0303494 301 IMD E C5 +8667 C C1 . GOL LA . ? 1.06759 1.02274 1.06516 -0.113109 -0.0942786 0.271523 302 GOL E C1 +8668 O O1 . GOL LA . ? 1.08512 1.06233 1.10698 -0.0862648 -0.0788039 0.271599 302 GOL E O1 +8669 C C2 . GOL LA . ? 1.16428 1.13941 1.18706 -0.128917 -0.111257 0.299353 302 GOL E C2 +8670 O O2 . GOL LA . ? 1.09011 1.07842 1.13272 -0.127139 -0.109888 0.312865 302 GOL E O2 +8671 C C3 . GOL LA . ? 1.28612 1.2413 1.28441 -0.160214 -0.130783 0.303497 302 GOL E C3 +8672 O O3 . GOL LA . ? 1.39261 1.36267 1.41099 -0.178792 -0.147497 0.330022 302 GOL E O3 +8683 C C1 . NAG WA . ? 1.17216 1.26354 1.30609 0.164054 0.254622 0.0623224 201 NAG F C1 +8684 C C2 . NAG WA . ? 1.22711 1.35523 1.39162 0.173019 0.283953 0.0850242 201 NAG F C2 +8685 C C3 . NAG WA . ? 1.25184 1.31719 1.35088 0.211432 0.326169 0.0929796 201 NAG F C3 +8686 C C4 . NAG WA . ? 1.21326 1.28504 1.31307 0.250194 0.345038 0.106502 201 NAG F C4 +8687 C C5 . NAG WA . ? 1.23161 1.30545 1.33717 0.236933 0.309322 0.0910496 201 NAG F C5 +8688 C C6 . NAG WA . ? 1.26979 1.44292 1.46581 0.234633 0.294381 0.108681 201 NAG F C6 +8689 C C7 . NAG WA . ? 1.27374 1.46193 1.50596 0.107646 0.24124 0.0773126 201 NAG F C7 +8690 C C8 . NAG WA . ? 1.09323 1.37277 1.40697 0.105287 0.23688 0.100229 201 NAG F C8 +8691 N N2 . NAG WA . ? 1.28119 1.41683 1.45844 0.14065 0.27086 0.0794292 201 NAG F N2 +8692 O O3 . NAG WA . ? 1.45126 1.54433 1.57239 0.21825 0.356744 0.113578 201 NAG F O3 +8693 O O4 . NAG WA . ? 1.20144 1.17671 1.20683 0.282019 0.375415 0.102649 201 NAG F O4 +8694 O O5 . NAG WA . ? 1.33382 1.37896 1.42007 0.1967 0.273173 0.06431 201 NAG F O5 +8695 O O6 . NAG WA . ? 1.11968 1.28001 1.30187 0.250936 0.286062 0.106593 201 NAG F O6 +8696 O O7 . NAG WA . ? 1.11835 1.27863 1.33238 0.0808126 0.217194 0.058601 201 NAG F O7 +8697 C C1 . NAG XA . ? 1.30034 1.14004 1.32162 -0.0389481 -0.147312 0.00461303 202 NAG F C1 +8698 C C2 . NAG XA . ? 1.31051 1.16108 1.34468 -0.0452807 -0.187489 0.0238385 202 NAG F C2 +8699 C C3 . NAG XA . ? 1.37884 1.18793 1.35844 -0.0721776 -0.214248 0.0266344 202 NAG F C3 +8700 C C4 . NAG XA . ? 1.40745 1.1333 1.29363 -0.0758196 -0.205512 0.0171912 202 NAG F C4 +8701 C C5 . NAG XA . ? 1.54472 1.2646 1.42625 -0.0598257 -0.159961 0.00173385 202 NAG F C5 +8702 C C6 . NAG XA . ? 1.60355 1.30479 1.47302 -0.0455294 -0.1503 0.00358075 202 NAG F C6 +8703 C C7 . NAG XA . ? 1.04294 1.00183 1.20665 -0.0125315 -0.17686 0.038298 202 NAG F C7 +8704 C C8 . NAG XA . ? 0.952964 0.979076 1.18868 -0.00430888 -0.1646 0.0431536 202 NAG F C8 +8705 N N2 . NAG XA . ? 1.20433 1.1278 1.31988 -0.0379559 -0.192364 0.0349216 202 NAG F N2 +8706 O O3 . NAG XA . ? 1.40876 1.24007 1.41177 -0.0828611 -0.257452 0.0477685 202 NAG F O3 +8707 O O4 . NAG XA . ? 1.39703 1.07725 1.22558 -0.0968993 -0.21484 0.0129904 202 NAG F O4 +8708 O O5 . NAG XA . ? 1.69313 1.4758 1.64455 -0.0513653 -0.140479 -0.00389383 202 NAG F O5 +8709 O O6 . NAG XA . ? 1.56784 1.2549 1.42132 -0.0388151 -0.111747 -0.00785887 202 NAG F O6 +8710 O O7 . NAG XA . ? 0.891959 0.823389 1.03562 0.00324565 -0.171821 0.0380948 202 NAG F O7 +8711 C C1 . NAG YA . ? 1.6267 1.3675 1.40369 -0.212215 -0.143588 -0.111878 203 NAG F C1 +8712 C C2 . NAG YA . ? 1.63169 1.44597 1.46004 -0.237504 -0.175629 -0.0908013 203 NAG F C2 +8713 C C3 . NAG YA . ? 1.65894 1.41582 1.41235 -0.27247 -0.2151 -0.0917401 203 NAG F C3 +8714 C C4 . NAG YA . ? 1.74316 1.40989 1.42146 -0.30461 -0.231585 -0.10148 203 NAG F C4 +8715 C C5 . NAG YA . ? 1.75428 1.35706 1.39663 -0.277665 -0.194626 -0.120163 203 NAG F C5 +8716 C C6 . NAG YA . ? 2.04349 1.60699 1.66662 -0.313063 -0.210942 -0.11791 203 NAG F C6 +8717 C C7 . NAG YA . ? 1.36596 1.33919 1.34158 -0.199405 -0.151632 -0.0653905 203 NAG F C7 +8718 C C8 . NAG YA . ? 1.08533 1.12762 1.11901 -0.228008 -0.180028 -0.0397851 203 NAG F C8 +8719 N N2 . NAG YA . ? 1.52298 1.41067 1.41136 -0.210106 -0.161994 -0.0815362 203 NAG F N2 +8720 O O3 . NAG YA . ? 1.66692 1.50167 1.47984 -0.300192 -0.249533 -0.0669211 203 NAG F O3 +8721 O O4 . NAG YA . ? 1.78777 1.36928 1.36453 -0.324551 -0.258295 -0.11059 203 NAG F O4 +8722 O O5 . NAG YA . ? 1.5791 1.24708 1.29861 -0.239054 -0.157337 -0.118348 203 NAG F O5 +8723 O O6 . NAG YA . ? 2.45772 1.89211 1.95967 -0.330628 -0.222769 -0.134341 203 NAG F O6 +8724 O O7 . NAG YA . ? 1.24625 1.24027 1.25182 -0.167542 -0.120303 -0.0694616 203 NAG F O7 +8725 C C1 . NAG ZA . ? 1.627 0.987689 1.11762 -0.00363622 0.125758 0.0135499 204 NAG F C1 +8726 C C2 . NAG ZA . ? 1.71384 1.05711 1.20191 -0.0398172 0.112221 0.00755737 204 NAG F C2 +8727 C C3 . NAG ZA . ? 1.72254 1.07231 1.22459 -0.0913796 0.102584 0.0139917 204 NAG F C3 +8728 C C4 . NAG ZA . ? 1.84579 1.11268 1.27385 -0.100616 0.109118 0.0238293 204 NAG F C4 +8729 C C5 . NAG ZA . ? 1.79456 1.06538 1.21174 -0.0556019 0.125787 0.0274867 204 NAG F C5 +8730 C C6 . NAG ZA . ? 1.85552 1.02959 1.18576 -0.0554458 0.133459 0.0372595 204 NAG F C6 +8731 C C7 . NAG ZA . ? 1.6261 1.02858 1.1671 -0.0119864 0.108339 -0.00677085 204 NAG F C7 +8732 C C8 . NAG ZA . ? 1.39304 0.681929 0.8366 -0.0110982 0.110066 -0.0074637 204 NAG F C8 +8733 N N2 . NAG ZA . ? 1.64634 1.06438 1.20121 -0.0331437 0.106875 -0.00068978 204 NAG F N2 +8734 O O3 . NAG ZA . ? 1.84301 1.17902 1.34431 -0.127272 0.0844261 0.0113603 204 NAG F O3 +8735 O O4 . NAG ZA . ? 2.00081 1.29431 1.45921 -0.148187 0.103621 0.0332576 204 NAG F O4 +8736 O O5 . NAG ZA . ? 1.76091 1.0338 1.17361 -0.00699954 0.131738 0.0221724 204 NAG F O5 +8737 O O6 . NAG ZA . ? 2.05699 1.12629 1.30104 -0.0488167 0.132697 0.0350167 204 NAG F O6 +8738 O O7 . NAG ZA . ? 1.57328 1.04783 1.17556 0.00257229 0.108323 -0.0114773 204 NAG F O7 +8739 C C1 . NAG AB . ? 1.76111 2.26192 2.11654 0.190936 -0.0801059 0.198645 205 NAG F C1 +8740 C C2 . NAG AB . ? 1.73728 2.33674 2.17585 0.174267 -0.109916 0.228903 205 NAG F C2 +8741 C C3 . NAG AB . ? 1.69709 2.31231 2.12522 0.154437 -0.160769 0.241745 205 NAG F C3 +8742 C C4 . NAG AB . ? 1.66777 2.20148 2.01304 0.116834 -0.177486 0.204712 205 NAG F C4 +8743 C C5 . NAG AB . ? 1.75692 2.20301 2.03033 0.138685 -0.141122 0.17772 205 NAG F C5 +8744 C C6 . NAG AB . ? 1.72845 2.09682 1.92512 0.107704 -0.146796 0.142811 205 NAG F C6 +8745 C C7 . NAG AB . ? 1.26163 1.98134 1.83171 0.20421 -0.0690466 0.270527 205 NAG F C7 +8746 C C8 . NAG AB . ? 1.14486 1.90378 1.74908 0.14985 -0.101281 0.267664 205 NAG F C8 +8747 N N2 . NAG AB . ? 1.45655 2.13087 1.97151 0.209883 -0.088056 0.263888 205 NAG F N2 +8748 O O3 . NAG AB . ? 1.73211 2.43978 2.23778 0.131196 -0.195034 0.271603 205 NAG F O3 +8749 O O4 . NAG AB . ? 1.47606 2.01091 1.79646 0.0987394 -0.224203 0.215543 205 NAG F O4 +8750 O O5 . NAG AB . ? 1.89557 2.33775 2.18949 0.154528 -0.0993254 0.168706 205 NAG F O5 +8751 O O6 . NAG AB . ? 1.70183 2.08089 1.90688 0.0663569 -0.169224 0.131946 205 NAG F O6 +8752 O O7 . NAG AB . ? 1.12339 1.84367 1.70688 0.241868 -0.0259053 0.278382 205 NAG F O7 +8753 N N1 . IMD BB . ? 1.7246 1.54347 1.51431 0.0944747 0.251642 -0.0843798 206 IMD F N1 +8754 C C2 . IMD BB . ? 1.6206 1.49378 1.4707 0.0867338 0.257855 -0.0697752 206 IMD F C2 +8755 N N3 . IMD BB . ? 1.63167 1.55525 1.55277 0.0803012 0.244304 -0.066767 206 IMD F N3 +8756 C C4 . IMD BB . ? 1.57397 1.47919 1.48428 0.0854738 0.231811 -0.0786323 206 IMD F C4 +8757 C C5 . IMD BB . ? 1.69026 1.52941 1.51872 0.0931333 0.23613 -0.0895713 206 IMD F C5 +# diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.json b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.json new file mode 100644 index 00000000..52640f53 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.json @@ -0,0 +1,24 @@ +{ + "test": { + "input": "./cd28_nag.pdb", + "contig": "55-88,/0,B1-118,C1-1,D1-1,E1-1,F1-1,G1-2", + "length": "179-212", + "redesign_motif_sidechains": false, + "infer_ori_strategy": "hotspots", + "is_non_loopy": true, + "select_hotspots": + {"B4": "CB,CD1,CD2,CG", + "B3": "CG1,CG2,CD1,CB", + "B105": "CB,CD1,CD2,CG", + "B104": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B100": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B102": "CB,CD,CG,N", + "B101": "CB,CD,CG,N", + "B31": "CB,CD,CG,CZ,NH1,NH2,NE"}, + "select_hbond_donor": + {"B100": "OH", + "B104": "OH", + "B31": "NH1,NH2,NE"} + } +} + diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.sh b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.sh new file mode 100644 index 00000000..196017fe --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.sh @@ -0,0 +1,18 @@ +#!/bin/bash +#SBATCH --partition= +#SBATCH --nodes=1 +#SBATCH --ntasks=1 +#SBATCH --cpus-per-task=6 +#SBATCH --gres=gpu:1 +#SBATCH --mem 32gb +#SBATCH --time 00:59:00 +#SBATCH --job-name="rfd3" + +# Run RFdiffusion3 +rfd3 design \ + out_dir="./cd28_nag_binder_outputs" \ + inputs="./cd28.yaml" \ + n_batches=1 \ + diffusion_batch_size=8 \ + dump_trajectories=1 # OPTIONAL, FOR VISUALIZATION PURPOSES + diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.yaml b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.yaml new file mode 100644 index 00000000..b1c5ad16 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28.yaml @@ -0,0 +1,20 @@ +test: + input: ./cd28_nag.pdb + contig: 55-88,/0,B1-118,C1-1,D1-1,E1-1,F1-1,G1-2 + length: 179-212 #add binder length range + target length + redesign_motif_sidechains: false + infer_ori_strategy: hotspots + is_non_loopy: true + select_hotspots: + {"B4": "CB,CD1,CD2,CG", + "B3": "CG1,CG2,CD1,CB", + "B105": "CB,CD1,CD2,CG", + "B104": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B100": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B102": "CB,CD,CG,N", + "B101": "CB,CD,CG,N", + "B31": "CB,CD,CG,CZ,NH1,NH2,NE"} + select_hbond_donor: + {"B100": "OH", + "B104": "OH", + "B31": "NH1,NH2,NE"} diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28_nag.pdb b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28_nag.pdb new file mode 100644 index 00000000..ca551efb --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/cd28_nag.pdb @@ -0,0 +1,2158 @@ +CRYST1 76.874 117.939 145.719 90.00 90.00 90.00 P 21 21 21 1 +ATOM 1 N ASN B 1 38.389 -34.092 -9.177 1.00137.25 B N +ANISOU 1 N ASN B 1 21502 14357 16290 1895 2418 -387 B N +ATOM 2 CA ASN B 1 38.968 -34.790 -7.994 1.00128.01 B C +ANISOU 2 CA ASN B 1 19915 13302 15422 2067 2565 -247 B C +ATOM 3 C ASN B 1 38.127 -34.429 -6.762 1.00108.29 B C +ANISOU 3 C ASN B 1 16853 11198 13094 1844 2033 -349 B C +ATOM 4 O ASN B 1 37.105 -33.749 -6.870 1.00106.22 B O +ANISOU 4 O ASN B 1 16549 11094 12717 1598 1618 -499 B O +ATOM 5 CB ASN B 1 40.480 -34.544 -7.921 1.00135.79 B C +ANISOU 5 CB ASN B 1 20552 14301 16742 2437 3037 54 B C +ATOM 6 CG ASN B 1 41.288 -35.381 -8.900 1.00137.88 B C +ANISOU 6 CG ASN B 1 21425 14119 16845 2746 3695 212 B C +ATOM 7 ND2 ASN B 1 42.607 -35.325 -8.788 1.00133.76 B N +ANISOU 7 ND2 ASN B 1 20539 13637 16646 3109 4154 553 B N +ATOM 8 OD1 ASN B 1 40.740 -36.082 -9.763 1.00126.48 B O +ANISOU 8 OD1 ASN B 1 20799 12286 14971 2653 3810 57 B O +ATOM 9 N LYS B 2 38.552 -34.922 -5.591 1.00101.75 B N +ANISOU 9 N LYS B 2 15616 10517 12527 1956 2076 -234 B N +ATOM 10 CA LYS B 2 37.799 -34.845 -4.344 1.00 97.62 B C +ANISOU 10 CA LYS B 2 14671 10290 12131 1773 1660 -320 B C +ATOM 11 C LYS B 2 38.771 -34.579 -3.184 1.00 95.09 B C +ANISOU 11 C LYS B 2 13725 10216 12189 1936 1711 -112 B C +ATOM 12 O LYS B 2 39.959 -34.860 -3.264 1.00 91.51 B O +ANISOU 12 O LYS B 2 13167 9708 11896 2198 2082 132 B O +ATOM 13 CB LYS B 2 37.071 -36.184 -4.111 1.00 97.48 B C +ANISOU 13 CB LYS B 2 15022 10113 11902 1652 1632 -424 B C +ATOM 14 CG LYS B 2 35.907 -36.515 -5.029 1.00 99.14 B C +ANISOU 14 CG LYS B 2 15805 10156 11706 1342 1436 -621 B C +ATOM 15 CD LYS B 2 34.653 -35.675 -4.782 1.00103.70 B C +ANISOU 15 CD LYS B 2 16077 11051 12272 1054 904 -737 B C +ATOM 16 CE LYS B 2 33.396 -36.184 -5.481 1.00104.44 B C +ANISOU 16 CE LYS B 2 16624 11076 11983 677 623 -863 B C +ATOM 17 NZ LYS B 2 32.173 -35.844 -4.747 1.00 98.10 B N1+ +ANISOU 17 NZ LYS B 2 15391 10627 11256 445 170 -892 B N1+ +ATOM 18 N ILE B 3 38.280 -34.042 -2.067 1.00 90.16 B N +ANISOU 18 N ILE B 3 12681 9873 11702 1775 1343 -170 B N +ATOM 19 CA ILE B 3 39.133 -33.842 -0.907 1.00 84.65 B C +ANISOU 19 CA ILE B 3 11461 9406 11296 1845 1323 24 B C +ATOM 20 C ILE B 3 39.127 -35.126 -0.077 1.00 80.16 B C +ANISOU 20 C ILE B 3 10895 8810 10753 1935 1387 83 B C +ATOM 21 O ILE B 3 38.110 -35.787 -0.015 1.00 81.34 B O +ANISOU 21 O ILE B 3 11333 8855 10718 1814 1272 -103 B O +ATOM 22 CB ILE B 3 38.599 -32.639 -0.118 1.00 89.10 B C +ANISOU 22 CB ILE B 3 11718 10209 11925 1619 939 -77 B C +ATOM 23 CG1 ILE B 3 38.472 -31.382 -0.997 1.00100.77 B C +ANISOU 23 CG1 ILE B 3 13289 11669 13331 1548 902 -147 B C +ATOM 24 CG2 ILE B 3 39.450 -32.370 1.115 1.00 90.99 B C +ANISOU 24 CG2 ILE B 3 11492 10679 12399 1594 853 116 B C +ATOM 25 CD1 ILE B 3 37.385 -30.431 -0.528 1.00109.93 B C +ANISOU 25 CD1 ILE B 3 14402 12944 14420 1370 576 -309 B C +ATOM 26 N LEU B 4 40.215 -35.466 0.613 1.00 81.76 B N +ANISOU 26 N LEU B 4 10752 9131 11180 2123 1543 364 B N +ATOM 27 CA LEU B 4 40.208 -36.620 1.506 1.00 83.66 B C +ANISOU 27 CA LEU B 4 10982 9360 11445 2230 1590 441 B C +ATOM 28 C LEU B 4 39.851 -36.214 2.934 1.00 84.65 B C +ANISOU 28 C LEU B 4 10732 9758 11674 2026 1188 400 B C +ATOM 29 O LEU B 4 40.165 -35.102 3.370 1.00112.09 B O +ANISOU 29 O LEU B 4 13859 13460 15271 1874 963 452 B O +ATOM 30 CB LEU B 4 41.583 -37.286 1.525 1.00 97.93 B C +ANISOU 30 CB LEU B 4 12604 11169 13437 2599 1996 840 B C +ATOM 31 CG LEU B 4 41.990 -38.070 0.274 1.00103.47 B C +ANISOU 31 CG LEU B 4 13801 11506 14007 2906 2543 933 B C +ATOM 32 CD1 LEU B 4 43.187 -38.965 0.696 1.00103.51 B C +ANISOU 32 CD1 LEU B 4 13573 11543 14216 3339 2951 1385 B C +ATOM 33 CD2 LEU B 4 40.878 -38.916 -0.392 1.00 98.56 B C +ANISOU 33 CD2 LEU B 4 13946 10494 13009 2797 2617 611 B C +ATOM 34 N VAL B 5 39.280 -37.160 3.698 1.00 80.55 B N +ANISOU 34 N VAL B 5 10333 9187 11086 2020 1134 329 B N +ATOM 35 CA VAL B 5 38.834 -36.853 5.051 1.00 83.40 B C +ANISOU 35 CA VAL B 5 10438 9749 11501 1833 790 271 B C +ATOM 36 C VAL B 5 39.362 -37.932 5.971 1.00 82.72 B C +ANISOU 36 C VAL B 5 10256 9687 11488 2016 896 478 B C +ATOM 37 O VAL B 5 39.035 -39.092 5.754 1.00 95.36 B O +ANISOU 37 O VAL B 5 12209 11057 12966 2144 1120 431 B O +ATOM 38 CB VAL B 5 37.307 -36.746 5.215 1.00 85.15 B C +ANISOU 38 CB VAL B 5 10882 9916 11556 1591 556 -45 B C +ATOM 39 CG1 VAL B 5 36.886 -35.680 6.207 1.00 81.38 B C +ANISOU 39 CG1 VAL B 5 10158 9633 11128 1390 236 -112 B C +ATOM 40 CG2 VAL B 5 36.623 -36.443 3.902 1.00101.34 B C +ANISOU 40 CG2 VAL B 5 13229 11829 13446 1507 585 -220 B C +ATOM 41 N LYS B 6 40.134 -37.514 6.986 1.00 92.02 B N +ANISOU 41 N LYS B 6 11001 11132 12829 1992 716 707 B N +ATOM 42 CA LYS B 6 40.563 -38.381 8.076 1.00103.78 B C +ANISOU 42 CA LYS B 6 12344 12707 14379 2129 717 924 B C +ATOM 43 C LYS B 6 39.876 -37.884 9.348 1.00 96.01 B C +ANISOU 43 C LYS B 6 11295 11846 13337 1833 323 765 B C +ATOM 44 O LYS B 6 40.052 -36.730 9.731 1.00 99.62 B O +ANISOU 44 O LYS B 6 11546 12481 13824 1592 54 768 B O +ATOM 45 CB LYS B 6 42.095 -38.457 8.269 1.00112.15 B C +ANISOU 45 CB LYS B 6 12946 14008 15658 2352 826 1412 B C +ATOM 46 CG LYS B 6 42.990 -38.621 7.032 1.00124.39 B C +ANISOU 46 CG LYS B 6 14456 15488 17318 2660 1248 1658 B C +ATOM 47 CD LYS B 6 43.427 -37.278 6.420 1.00134.57 B C +ANISOU 47 CD LYS B 6 15494 16936 18701 2457 1131 1681 B C +ATOM 48 CE LYS B 6 44.215 -37.293 5.126 1.00123.69 B C +ANISOU 48 CE LYS B 6 14116 15463 17420 2732 1565 1891 B C +ATOM 49 NZ LYS B 6 44.040 -36.032 4.387 1.00112.91 B N1+ +ANISOU 49 NZ LYS B 6 12776 14101 16024 2471 1441 1696 B N1+ +ATOM 50 N GLN B 7 39.100 -38.754 10.005 1.00 89.11 B N +ANISOU 50 N GLN B 7 10656 10843 12357 1844 325 631 B N +ATOM 51 CA GLN B 7 38.564 -38.444 11.318 1.00 84.60 B C +ANISOU 51 CA GLN B 7 10053 10361 11731 1628 26 538 B C +ATOM 52 C GLN B 7 38.718 -39.662 12.211 1.00 88.33 B C +ANISOU 52 C GLN B 7 10582 10795 12184 1797 105 679 B C +ATOM 53 O GLN B 7 38.574 -40.783 11.739 1.00 98.03 B O +ANISOU 53 O GLN B 7 12060 11819 13368 2012 403 673 B O +ATOM 54 CB GLN B 7 37.106 -37.998 11.285 1.00 85.23 B C +ANISOU 54 CB GLN B 7 10381 10320 11683 1409 -78 182 B C +ATOM 55 CG GLN B 7 36.363 -38.492 10.060 1.00 88.81 B C +ANISOU 55 CG GLN B 7 11108 10577 12058 1452 123 0 B C +ATOM 56 CD GLN B 7 34.881 -38.214 10.090 1.00 85.03 B C +ANISOU 56 CD GLN B 7 10786 10045 11476 1244 7 -263 B C +ATOM 57 NE2 GLN B 7 34.268 -38.359 11.250 1.00 81.59 B N +ANISOU 57 NE2 GLN B 7 10363 9624 11013 1157 -97 -314 B N +ATOM 58 OE1 GLN B 7 34.285 -37.888 9.063 1.00 79.07 B O +ANISOU 58 OE1 GLN B 7 10134 9246 10665 1172 20 -387 B O +ATOM 59 N SER B 8 39.007 -39.400 13.495 1.00 93.32 B N +ANISOU 59 N SER B 8 11047 11597 12812 1677 -160 803 B N +ATOM 60 CA SER B 8 39.181 -40.435 14.500 1.00 84.33 B C +ANISOU 60 CA SER B 8 9952 10450 11639 1823 -136 961 B C +ATOM 61 C SER B 8 38.039 -41.427 14.403 1.00 78.17 B C +ANISOU 61 C SER B 8 9593 9371 10737 1880 83 694 B C +ATOM 62 O SER B 8 36.893 -41.025 14.207 1.00 73.55 B O +ANISOU 62 O SER B 8 9197 8676 10071 1665 30 377 B O +ATOM 63 CB SER B 8 39.261 -39.890 15.904 1.00 88.02 B C +ANISOU 63 CB SER B 8 10334 11077 12033 1582 -497 1021 B C +ATOM 64 OG SER B 8 40.620 -39.839 16.332 1.00101.79 B O +ANISOU 64 OG SER B 8 11688 13116 13872 1637 -653 1457 B O +ATOM 65 N PRO B 9 38.331 -42.740 14.533 1.00 75.24 B N +ANISOU 65 N PRO B 9 9375 8870 10344 2165 347 849 B N +ATOM 66 CA PRO B 9 37.290 -43.751 14.435 1.00 68.93 B C +ANISOU 66 CA PRO B 9 9030 7765 9396 2161 565 607 B C +ATOM 67 C PRO B 9 36.431 -43.773 15.696 1.00 73.60 B C +ANISOU 67 C PRO B 9 9729 8342 9895 1956 371 453 B C +ATOM 68 O PRO B 9 35.265 -44.124 15.598 1.00 85.43 B O +ANISOU 68 O PRO B 9 11514 9656 11291 1791 442 186 B O +ATOM 69 CB PRO B 9 38.110 -45.003 14.207 1.00 68.69 B C +ANISOU 69 CB PRO B 9 9144 7594 9363 2564 940 885 B C +ATOM 70 CG PRO B 9 39.391 -44.760 14.967 1.00 71.16 B C +ANISOU 70 CG PRO B 9 8991 8221 9825 2760 793 1315 B C +ATOM 71 CD PRO B 9 39.670 -43.310 14.783 1.00 73.76 B C +ANISOU 71 CD PRO B 9 8933 8827 10265 2504 463 1303 B C +ATOM 72 N MET B 10 36.971 -43.353 16.853 1.00 74.65 B N +ANISOU 72 N MET B 10 9644 8673 10049 1928 117 631 B N +ATOM 73 CA MET B 10 36.209 -43.379 18.095 1.00 75.10 B C +ANISOU 73 CA MET B 10 9872 8673 9988 1757 -26 500 B C +ATOM 74 C MET B 10 36.570 -42.184 18.960 1.00 78.46 B C +ANISOU 74 C MET B 10 10105 9311 10395 1542 -389 574 B C +ATOM 75 O MET B 10 37.736 -41.830 19.024 1.00101.13 B O +ANISOU 75 O MET B 10 12680 12413 13333 1583 -554 864 B O +ATOM 76 CB MET B 10 36.526 -44.650 18.895 1.00 78.50 B C +ANISOU 76 CB MET B 10 10471 9006 10348 1990 119 684 B C +ATOM 77 CG MET B 10 35.865 -44.740 20.275 1.00 77.76 B C +ANISOU 77 CG MET B 10 10585 8843 10117 1839 -10 589 B C +ATOM 78 SD MET B 10 34.058 -44.805 20.276 0.63 73.82 B S +ANISOU 78 SD MET B 10 10416 8096 9537 1580 123 172 B S +ATOM 79 CE MET B 10 33.936 -46.468 19.602 1.00 79.24 B C +ANISOU 79 CE MET B 10 11422 8514 10172 1783 525 170 B C +ATOM 80 N LEU B 11 35.568 -41.610 19.639 1.00 81.07 B N +ANISOU 80 N LEU B 11 10634 9551 10617 1307 -489 341 B N +ATOM 81 CA LEU B 11 35.755 -40.559 20.630 1.00 83.44 B C +ANISOU 81 CA LEU B 11 10954 9944 10807 1072 -783 375 B C +ATOM 82 C LEU B 11 34.766 -40.769 21.772 1.00 84.54 B C +ANISOU 82 C LEU B 11 11448 9887 10786 984 -740 221 B C +ATOM 83 O LEU B 11 33.555 -40.862 21.540 1.00 82.58 B O +ANISOU 83 O LEU B 11 11349 9477 10550 966 -537 -12 B O +ATOM 84 CB LEU B 11 35.474 -39.200 19.993 1.00 78.45 B C +ANISOU 84 CB LEU B 11 10263 9347 10197 881 -860 226 B C +ATOM 85 CG LEU B 11 36.436 -38.733 18.906 1.00 75.47 B C +ANISOU 85 CG LEU B 11 9560 9156 9961 913 -914 366 B C +ATOM 86 CD1 LEU B 11 35.814 -37.527 18.260 1.00 84.50 B C +ANISOU 86 CD1 LEU B 11 10751 10254 11100 758 -913 157 B C +ATOM 87 CD2 LEU B 11 37.782 -38.421 19.487 1.00 72.10 B C +ANISOU 87 CD2 LEU B 11 8910 8970 9515 813 -1199 691 B C +ATOM 88 N VAL B 12 35.268 -40.767 23.009 1.00 80.54 B N +ANISOU 88 N VAL B 12 11070 9412 10121 904 -942 375 B N +ATOM 89 CA VAL B 12 34.374 -40.772 24.152 1.00 77.82 B C +ANISOU 89 CA VAL B 12 11122 8855 9593 802 -892 234 B C +ATOM 90 C VAL B 12 34.196 -39.346 24.638 1.00 77.26 B C +ANISOU 90 C VAL B 12 11258 8740 9359 524 -1053 150 B C +ATOM 91 O VAL B 12 35.172 -38.714 25.022 1.00 73.95 B O +ANISOU 91 O VAL B 12 10815 8463 8819 330 -1369 323 B O +ATOM 92 CB VAL B 12 34.917 -41.685 25.258 1.00 79.98 B C +ANISOU 92 CB VAL B 12 11535 9123 9730 882 -983 439 B C +ATOM 93 CG1 VAL B 12 34.107 -41.643 26.545 1.00 78.24 B C +ANISOU 93 CG1 VAL B 12 11786 8662 9280 764 -936 316 B C +ATOM 94 CG2 VAL B 12 34.959 -43.111 24.726 1.00 90.07 B C +ANISOU 94 CG2 VAL B 12 12716 10363 11144 1193 -721 501 B C +ATOM 95 N ALA B 13 32.937 -38.885 24.621 1.00 83.05 B N +ANISOU 95 N ALA B 13 12206 9272 10077 503 -816 -82 B N +ATOM 96 CA ALA B 13 32.554 -37.625 25.241 1.00 91.02 B C +ANISOU 96 CA ALA B 13 13571 10129 10883 307 -836 -167 B C +ATOM 97 C ALA B 13 32.625 -37.737 26.767 1.00 93.76 B C +ANISOU 97 C ALA B 13 14390 10302 10932 181 -918 -113 B C +ATOM 98 O ALA B 13 31.970 -38.564 27.378 1.00107.17 B O +ANISOU 98 O ALA B 13 16264 11850 12606 305 -720 -155 B O +ATOM 99 CB ALA B 13 31.160 -37.234 24.799 1.00 88.75 B C +ANISOU 99 CB ALA B 13 13332 9695 10695 411 -493 -351 B C +ATOM 100 N TYR B 14 33.415 -36.882 27.395 1.00 92.55 B N +ANISOU 100 N TYR B 14 14492 10156 10518 -106 -1219 -17 B N +ATOM 101 CA TYR B 14 33.453 -36.849 28.835 1.00100.46 B C +ANISOU 101 CA TYR B 14 16049 10956 11164 -284 -1318 26 B C +ATOM 102 C TYR B 14 32.843 -35.528 29.281 1.00108.03 B C +ANISOU 102 C TYR B 14 17595 11600 11851 -471 -1169 -121 B C +ATOM 103 O TYR B 14 33.181 -34.456 28.747 1.00109.13 B O +ANISOU 103 O TYR B 14 17737 11776 11950 -651 -1272 -138 B O +ATOM 104 CB TYR B 14 34.899 -37.017 29.273 1.00111.15 B C +ANISOU 104 CB TYR B 14 17280 12575 12377 -517 -1820 308 B C +ATOM 105 CG TYR B 14 35.469 -38.413 29.101 1.00115.95 B C +ANISOU 105 CG TYR B 14 17431 13428 13198 -252 -1886 513 B C +ATOM 106 CD1 TYR B 14 35.040 -39.446 29.922 1.00117.79 B C +ANISOU 106 CD1 TYR B 14 17900 13504 13351 -79 -1738 516 B C +ATOM 107 CD2 TYR B 14 36.525 -38.663 28.219 1.00120.05 B C +ANISOU 107 CD2 TYR B 14 17345 14313 13956 -178 -2083 746 B C +ATOM 108 CE1 TYR B 14 35.614 -40.706 29.838 1.00115.60 B C +ANISOU 108 CE1 TYR B 14 17296 13410 13219 180 -1770 732 B C +ATOM 109 CE2 TYR B 14 37.082 -39.924 28.098 1.00116.06 B C +ANISOU 109 CE2 TYR B 14 16490 13990 13615 118 -2075 979 B C +ATOM 110 CZ TYR B 14 36.623 -40.943 28.915 1.00115.39 B C +ANISOU 110 CZ TYR B 14 16682 13726 13433 299 -1920 968 B C +ATOM 111 OH TYR B 14 37.170 -42.182 28.794 1.00101.51 B O +ANISOU 111 OH TYR B 14 14649 12108 11812 622 -1863 1211 B O +ATOM 112 N ASP B 15 31.938 -35.652 30.257 1.00100.85 B N +ANISOU 112 N ASP B 15 17214 10355 10751 -402 -876 -211 B N +ATOM 113 CA ASP B 15 31.179 -34.527 30.768 1.00104.56 B C +ANISOU 113 CA ASP B 15 18336 10440 10953 -473 -582 -330 B C +ATOM 114 C ASP B 15 30.368 -33.909 29.641 1.00 96.98 B C +ANISOU 114 C ASP B 15 17080 9493 10274 -242 -246 -431 B C +ATOM 115 O ASP B 15 30.180 -32.689 29.597 1.00 95.44 B O +ANISOU 115 O ASP B 15 17271 9092 9900 -329 -110 -479 B O +ATOM 116 CB ASP B 15 32.061 -33.517 31.478 1.00121.06 B C +ANISOU 116 CB ASP B 15 21020 12399 12577 -933 -922 -274 B C +ATOM 117 CG ASP B 15 32.452 -33.897 32.903 1.00143.76 B C +ANISOU 117 CG ASP B 15 24476 15108 15037 -1176 -1142 -186 B C +ATOM 118 OD1 ASP B 15 32.523 -35.122 33.223 1.00139.70 B O +ANISOU 118 OD1 ASP B 15 23701 14731 14648 -1010 -1205 -104 B O +ATOM 119 OD2 ASP B 15 32.670 -32.969 33.715 1.00161.77 B O1- +ANISOU 119 OD2 ASP B 15 27544 17092 16831 -1545 -1238 -197 B O1- +ATOM 120 N ASN B 16 29.864 -34.792 28.764 1.00 94.68 B N +ANISOU 120 N ASN B 16 16158 9425 10392 42 -105 -447 B N +ATOM 121 CA ASN B 16 28.928 -34.428 27.701 1.00 95.89 B C +ANISOU 121 CA ASN B 16 15968 9633 10833 279 206 -506 B C +ATOM 122 C ASN B 16 29.556 -33.512 26.627 1.00 93.82 B C +ANISOU 122 C ASN B 16 15467 9541 10639 182 11 -510 B C +ATOM 123 O ASN B 16 28.831 -32.888 25.875 1.00 75.83 B O +ANISOU 123 O ASN B 16 13054 7255 8502 349 257 -540 B O +ATOM 124 CB ASN B 16 27.665 -33.782 28.269 1.00 90.07 B C +ANISOU 124 CB ASN B 16 15667 8564 9993 455 707 -526 B C +ATOM 125 CG ASN B 16 26.923 -34.704 29.190 1.00 74.92 B C +ANISOU 125 CG ASN B 16 13914 6490 8062 581 966 -510 B C +ATOM 126 ND2 ASN B 16 26.313 -35.728 28.660 1.00 70.44 B N +ANISOU 126 ND2 ASN B 16 12824 6121 7819 739 1070 -499 B N +ATOM 127 OD1 ASN B 16 26.918 -34.510 30.395 1.00 84.60 B O +ANISOU 127 OD1 ASN B 16 15790 7398 8955 501 1069 -507 B O +ATOM 128 N ALA B 17 30.887 -33.500 26.484 1.00 91.32 B N +ANISOU 128 N ALA B 17 15026 9416 10256 -66 -423 -444 B N +ATOM 129 CA ALA B 17 31.548 -32.701 25.479 1.00 76.98 B C +ANISOU 129 CA ALA B 17 12968 7768 8514 -177 -600 -431 B C +ATOM 130 C ALA B 17 32.681 -33.481 24.813 1.00 76.75 B C +ANISOU 130 C ALA B 17 12371 8101 8689 -220 -944 -312 B C +ATOM 131 O ALA B 17 33.263 -34.384 25.402 1.00 78.25 B O +ANISOU 131 O ALA B 17 12490 8391 8849 -257 -1137 -197 B O +ATOM 132 CB ALA B 17 32.054 -31.473 26.157 1.00 80.73 B C +ANISOU 132 CB ALA B 17 14049 8028 8598 -516 -726 -424 B C +ATOM 133 N VAL B 18 32.998 -33.086 23.576 1.00 84.12 B N +ANISOU 133 N VAL B 18 12927 9215 9819 -187 -984 -312 B N +ATOM 134 CA VAL B 18 33.998 -33.739 22.737 1.00 85.72 B C +ANISOU 134 CA VAL B 18 12588 9735 10249 -155 -1198 -181 B C +ATOM 135 C VAL B 18 34.543 -32.747 21.691 1.00 90.19 B C +ANISOU 135 C VAL B 18 12971 10414 10881 -260 -1278 -169 B C +ATOM 136 O VAL B 18 33.934 -31.731 21.402 1.00 82.42 B O +ANISOU 136 O VAL B 18 12220 9269 9827 -273 -1114 -292 B O +ATOM 137 CB VAL B 18 33.332 -34.959 22.077 1.00 83.02 B C +ANISOU 137 CB VAL B 18 11923 9449 10173 168 -974 -235 B C +ATOM 138 CG1 VAL B 18 32.400 -34.526 20.953 1.00 92.04 B C +ANISOU 138 CG1 VAL B 18 12931 10567 11474 316 -737 -374 B C +ATOM 139 CG2 VAL B 18 34.327 -35.983 21.548 1.00 81.29 B C +ANISOU 139 CG2 VAL B 18 11294 9464 10128 271 -1104 -69 B C +ATOM 140 N ASN B 19 35.704 -33.055 21.099 1.00 89.98 B N +ANISOU 140 N ASN B 19 12522 10664 11001 -303 -1494 10 B N +ATOM 141 CA ASN B 19 36.323 -32.234 20.064 1.00 81.39 B C +ANISOU 141 CA ASN B 19 11219 9704 10002 -398 -1558 50 B C +ATOM 142 C ASN B 19 36.546 -33.117 18.838 1.00 79.97 B C +ANISOU 142 C ASN B 19 10547 9703 10136 -98 -1436 104 B C +ATOM 143 O ASN B 19 37.407 -33.999 18.821 1.00 84.43 B O +ANISOU 143 O ASN B 19 10797 10463 10821 -12 -1530 320 B O +ATOM 144 CB ASN B 19 37.642 -31.621 20.527 1.00 90.88 B C +ANISOU 144 CB ASN B 19 12401 11074 11056 -799 -1928 274 B C +ATOM 145 CG ASN B 19 37.478 -30.476 21.501 1.00106.69 B C +ANISOU 145 CG ASN B 19 15026 12838 12675 -1188 -2038 193 B C +ATOM 146 ND2 ASN B 19 37.576 -30.739 22.805 1.00125.19 B N +ANISOU 146 ND2 ASN B 19 17690 15109 14766 -1382 -2218 259 B N +ATOM 147 OD1 ASN B 19 37.299 -29.332 21.058 1.00105.48 B O +ANISOU 147 OD1 ASN B 19 15118 12539 12422 -1321 -1948 79 B O +ATOM 148 N LEU B 20 35.733 -32.893 17.809 1.00 77.36 B N +ANISOU 148 N LEU B 20 10191 9287 9914 79 -1202 -70 B N +ATOM 149 CA LEU B 20 35.812 -33.676 16.596 1.00 73.43 B C +ANISOU 149 CA LEU B 20 9372 8888 9643 326 -1061 -54 B C +ATOM 150 C LEU B 20 36.578 -32.886 15.518 1.00 89.57 B C +ANISOU 150 C LEU B 20 11223 11042 11769 269 -1092 14 B C +ATOM 151 O LEU B 20 36.092 -31.932 14.888 1.00119.30 B O +ANISOU 151 O LEU B 20 15104 14722 15501 238 -1015 -118 B O +ATOM 152 CB LEU B 20 34.378 -34.074 16.266 1.00 66.41 B C +ANISOU 152 CB LEU B 20 8598 7853 8783 499 -832 -257 B C +ATOM 153 CG LEU B 20 34.187 -34.945 15.027 1.00 72.92 B C +ANISOU 153 CG LEU B 20 9237 8711 9759 691 -681 -288 B C +ATOM 154 CD1 LEU B 20 35.296 -35.959 14.912 1.00 82.84 B C +ANISOU 154 CD1 LEU B 20 10315 10059 11102 803 -685 -102 B C +ATOM 155 CD2 LEU B 20 32.831 -35.615 15.054 1.00 72.47 B C +ANISOU 155 CD2 LEU B 20 9286 8552 9698 761 -533 -428 B C +ATOM 156 N SER B 21 37.845 -33.279 15.341 1.00 95.77 B N +ANISOU 156 N SER B 21 11694 12030 12666 270 -1192 267 B N +ATOM 157 CA SER B 21 38.714 -32.728 14.306 1.00 90.11 B C +ANISOU 157 CA SER B 21 10730 11441 12065 245 -1183 391 B C +ATOM 158 C SER B 21 38.481 -33.446 12.982 1.00 84.07 B C +ANISOU 158 C SER B 21 9859 10626 11457 563 -903 337 B C +ATOM 159 O SER B 21 38.528 -34.666 12.930 1.00 83.00 B O +ANISOU 159 O SER B 21 9659 10483 11397 794 -770 408 B O +ATOM 160 CB SER B 21 40.180 -32.833 14.693 1.00 94.67 B C +ANISOU 160 CB SER B 21 10961 12294 12716 116 -1387 761 B C +ATOM 161 OG SER B 21 40.709 -31.599 15.154 1.00100.59 B O +ANISOU 161 OG SER B 21 11777 13118 13323 -307 -1652 829 B O +ATOM 162 N CYS B 22 38.256 -32.689 11.905 1.00 83.29 B N +ANISOU 162 N CYS B 22 9807 10468 11372 564 -803 220 B N +ATOM 163 CA CYS B 22 38.119 -33.266 10.579 1.00 83.40 B C +ANISOU 163 CA CYS B 22 9793 10416 11480 810 -561 178 B C +ATOM 164 C CYS B 22 39.322 -32.881 9.730 1.00 87.08 B C +ANISOU 164 C CYS B 22 10021 10997 12068 833 -491 389 B C +ATOM 165 O CYS B 22 39.522 -31.704 9.459 1.00103.53 B O +ANISOU 165 O CYS B 22 12113 13104 14119 648 -567 366 B O +ATOM 166 CB CYS B 22 36.853 -32.771 9.904 1.00 83.68 B C +ANISOU 166 CB CYS B 22 10068 10302 11424 814 -494 -88 B C +ATOM 167 SG CYS B 22 35.345 -32.935 10.896 1.00 89.72 B S +ANISOU 167 SG CYS B 22 11050 10966 12072 771 -547 -281 B S +ATOM 168 N LYS B 23 40.151 -33.858 9.353 1.00 91.79 B N +ANISOU 168 N LYS B 23 10422 11654 12802 1070 -311 622 B N +ATOM 169 CA LYS B 23 41.415 -33.562 8.684 1.00 93.61 B C +ANISOU 169 CA LYS B 23 10349 12031 13187 1122 -207 912 B C +ATOM 170 C LYS B 23 41.191 -33.720 7.180 1.00 97.08 B C +ANISOU 170 C LYS B 23 10980 12276 13628 1338 112 800 B C +ATOM 171 O LYS B 23 40.792 -34.784 6.698 1.00105.61 B O +ANISOU 171 O LYS B 23 12283 13176 14670 1580 347 732 B O +ATOM 172 CB LYS B 23 42.613 -34.352 9.231 1.00 91.54 B C +ANISOU 172 CB LYS B 23 9696 11996 13090 1272 -179 1343 B C +ATOM 173 CG LYS B 23 42.789 -34.061 10.711 1.00 96.89 B C +ANISOU 173 CG LYS B 23 10239 12869 13705 977 -567 1444 B C +ATOM 174 CD LYS B 23 43.986 -34.665 11.434 1.00110.63 B C +ANISOU 174 CD LYS B 23 11526 14919 15588 1050 -659 1932 B C +ATOM 175 CE LYS B 23 43.796 -34.687 12.944 1.00112.30 B C +ANISOU 175 CE LYS B 23 11790 15227 15652 793 -1032 1941 B C +ATOM 176 NZ LYS B 23 45.074 -34.483 13.633 1.00113.01 B N1+ +ANISOU 176 NZ LYS B 23 11395 15718 15827 588 -1325 2431 B N1+ +ATOM 177 N TYR B 24 41.447 -32.628 6.442 1.00 90.84 B N +ANISOU 177 N TYR B 24 10170 11499 12846 1214 116 778 B N +ATOM 178 CA TYR B 24 41.254 -32.607 5.007 1.00 78.07 B C +ANISOU 178 CA TYR B 24 8777 9692 11195 1378 387 672 B C +ATOM 179 C TYR B 24 42.590 -32.710 4.290 1.00 85.42 B C +ANISOU 179 C TYR B 24 9449 10700 12305 1558 667 1013 B C +ATOM 180 O TYR B 24 43.656 -32.504 4.871 1.00 92.18 B O +ANISOU 180 O TYR B 24 9874 11819 13332 1485 588 1346 B O +ATOM 181 CB TYR B 24 40.521 -31.327 4.645 1.00 73.98 B C +ANISOU 181 CB TYR B 24 8458 9106 10544 1162 242 419 B C +ATOM 182 CG TYR B 24 39.219 -31.171 5.411 1.00 73.07 B C +ANISOU 182 CG TYR B 24 8544 8938 10281 1033 19 159 B C +ATOM 183 CD1 TYR B 24 38.134 -32.008 5.146 1.00 68.66 B C +ANISOU 183 CD1 TYR B 24 8220 8243 9624 1148 71 -22 B C +ATOM 184 CD2 TYR B 24 39.101 -30.198 6.410 1.00 79.86 B C +ANISOU 184 CD2 TYR B 24 9383 9873 11085 779 -217 126 B C +ATOM 185 CE1 TYR B 24 36.944 -31.879 5.838 1.00 73.38 B C +ANISOU 185 CE1 TYR B 24 8932 8824 10122 1049 -97 -200 B C +ATOM 186 CE2 TYR B 24 37.907 -30.048 7.103 1.00 84.41 B C +ANISOU 186 CE2 TYR B 24 10161 10376 11534 720 -338 -72 B C +ATOM 187 CZ TYR B 24 36.835 -30.903 6.822 1.00 90.84 B C +ANISOU 187 CZ TYR B 24 11108 11100 12305 874 -273 -216 B C +ATOM 188 OH TYR B 24 35.644 -30.779 7.501 1.00 98.22 B O +ANISOU 188 OH TYR B 24 12174 11996 13150 834 -361 -356 B O +ATOM 189 N SER B 25 42.518 -33.047 3.005 1.00 92.83 B N +ANISOU 189 N SER B 25 10663 11414 13196 1784 1000 959 B N +ATOM 190 CA SER B 25 43.701 -33.060 2.162 1.00 96.64 B C +ANISOU 190 CA SER B 25 10968 11915 13837 1994 1353 1276 B C +ATOM 191 C SER B 25 43.667 -31.791 1.312 1.00 90.95 B C +ANISOU 191 C SER B 25 10346 11148 13063 1816 1333 1150 B C +ATOM 192 O SER B 25 43.783 -31.863 0.097 1.00 89.21 B O +ANISOU 192 O SER B 25 10387 10719 12791 1999 1658 1137 B O +ATOM 193 CB SER B 25 43.787 -34.357 1.335 1.00 98.06 B C +ANISOU 193 CB SER B 25 11480 11815 13965 2400 1823 1345 B C +ATOM 194 OG SER B 25 42.859 -34.401 0.254 1.00106.10 B O +ANISOU 194 OG SER B 25 13084 12505 14724 2394 1928 1011 B O +ATOM 195 N TYR B 26 43.487 -30.630 1.962 1.00 93.71 B N +ANISOU 195 N TYR B 26 10562 11653 13390 1458 975 1052 B N +ATOM 196 CA TYR B 26 43.384 -29.362 1.255 1.00110.22 B C +ANISOU 196 CA TYR B 26 12803 13677 15401 1280 955 921 B C +ATOM 197 C TYR B 26 43.641 -28.178 2.191 1.00112.02 B C +ANISOU 197 C TYR B 26 12831 14098 15631 871 621 952 B C +ATOM 198 O TYR B 26 43.300 -28.229 3.369 1.00111.42 B O +ANISOU 198 O TYR B 26 12704 14121 15510 699 336 901 B O +ATOM 199 CB TYR B 26 42.012 -29.282 0.574 1.00119.67 B C +ANISOU 199 CB TYR B 26 14505 14614 16350 1331 934 542 B C +ATOM 200 CG TYR B 26 41.958 -28.549 -0.767 1.00115.02 B C +ANISOU 200 CG TYR B 26 14195 13849 15658 1372 1119 455 B C +ATOM 201 CD1 TYR B 26 42.960 -28.672 -1.736 1.00104.65 B C +ANISOU 201 CD1 TYR B 26 12848 12469 14445 1546 1484 670 B C +ATOM 202 CD2 TYR B 26 40.874 -27.736 -1.068 1.00110.97 B C +ANISOU 202 CD2 TYR B 26 13991 13231 14941 1269 954 185 B C +ATOM 203 CE1 TYR B 26 42.891 -27.989 -2.941 1.00111.50 B C +ANISOU 203 CE1 TYR B 26 14019 13153 15193 1578 1656 583 B C +ATOM 204 CE2 TYR B 26 40.804 -27.035 -2.259 1.00119.66 B C +ANISOU 204 CE2 TYR B 26 15363 14176 15926 1311 1100 120 B C +ATOM 205 CZ TYR B 26 41.802 -27.164 -3.203 1.00124.09 B C +ANISOU 205 CZ TYR B 26 15930 14651 16566 1450 1441 297 B C +ATOM 206 OH TYR B 26 41.571 -26.409 -4.328 1.00119.83 B O +ANISOU 206 OH TYR B 26 15725 13938 15868 1474 1552 197 B O +ATOM 207 N ASN B 27 44.254 -27.107 1.653 1.00121.53 B N +ANISOU 207 N ASN B 27 13993 15325 16859 692 679 1035 B N +ATOM 208 CA ASN B 27 44.734 -25.989 2.457 1.00117.23 B C +ANISOU 208 CA ASN B 27 13304 14944 16293 238 402 1120 B C +ATOM 209 C ASN B 27 43.574 -25.029 2.680 1.00100.13 B C +ANISOU 209 C ASN B 27 11622 12569 13854 68 233 750 B C +ATOM 210 O ASN B 27 43.319 -24.213 1.807 1.00108.79 B O +ANISOU 210 O ASN B 27 12998 13491 14846 77 369 616 B O +ATOM 211 CB ASN B 27 45.927 -25.293 1.795 1.00120.59 B C +ANISOU 211 CB ASN B 27 13479 15482 16859 87 562 1402 B C +ATOM 212 CG ASN B 27 46.874 -24.635 2.776 1.00144.86 B C +ANISOU 212 CG ASN B 27 16196 18856 19990 -420 261 1682 B C +ATOM 213 ND2 ASN B 27 47.803 -23.835 2.278 1.00168.29 B N +ANISOU 213 ND2 ASN B 27 18977 21922 23043 -668 349 1906 B N +ATOM 214 OD1 ASN B 27 46.765 -24.839 3.988 1.00173.19 B O +ANISOU 214 OD1 ASN B 27 19698 22583 23522 -627 -63 1705 B O +ATOM 215 N LEU B 28 42.896 -25.108 3.837 1.00 97.37 B N +ANISOU 215 N LEU B 28 11383 12227 13387 -56 -23 617 B N +ATOM 216 CA LEU B 28 41.716 -24.292 4.114 1.00100.93 B C +ANISOU 216 CA LEU B 28 12293 12466 13590 -127 -109 315 B C +ATOM 217 C LEU B 28 42.076 -22.896 4.630 1.00 99.39 B C +ANISOU 217 C LEU B 28 12313 12223 13228 -564 -236 321 B C +ATOM 218 O LEU B 28 41.177 -22.086 4.869 1.00 91.57 B O +ANISOU 218 O LEU B 28 11766 11017 12011 -601 -238 109 B O +ATOM 219 CB LEU B 28 40.805 -24.964 5.136 1.00100.20 B C +ANISOU 219 CB LEU B 28 12274 12364 13432 -52 -262 189 B C +ATOM 220 CG LEU B 28 40.327 -26.376 4.812 1.00100.86 B C +ANISOU 220 CG LEU B 28 12235 12462 13625 304 -163 159 B C +ATOM 221 CD1 LEU B 28 39.320 -26.801 5.856 1.00101.25 B C +ANISOU 221 CD1 LEU B 28 12408 12479 13582 320 -307 18 B C +ATOM 222 CD2 LEU B 28 39.743 -26.470 3.419 1.00104.95 B C +ANISOU 222 CD2 LEU B 28 12936 12831 14110 569 49 31 B C +ATOM 223 N PHE B 29 43.373 -22.608 4.814 1.00101.48 B N +ANISOU 223 N PHE B 29 12286 12683 13587 -904 -326 591 B N +ATOM 224 CA PHE B 29 43.784 -21.251 5.132 1.00107.44 B C +ANISOU 224 CA PHE B 29 13312 13364 14146 -1395 -432 600 B C +ATOM 225 C PHE B 29 43.514 -20.401 3.896 1.00107.37 B C +ANISOU 225 C PHE B 29 13613 13120 14063 -1258 -152 461 B C +ATOM 226 O PHE B 29 43.887 -20.791 2.786 1.00111.07 B O +ANISOU 226 O PHE B 29 13844 13637 14719 -995 68 553 B O +ATOM 227 CB PHE B 29 45.249 -21.104 5.568 1.00113.08 B C +ANISOU 227 CB PHE B 29 13602 14389 14974 -1876 -635 969 B C +ATOM 228 CG PHE B 29 45.527 -21.268 7.059 1.00118.85 B C +ANISOU 228 CG PHE B 29 14266 15291 15598 -2279 -1023 1092 B C +ATOM 229 CD1 PHE B 29 44.598 -20.882 8.023 1.00114.48 B C +ANISOU 229 CD1 PHE B 29 14276 14491 14731 -2408 -1153 826 B C +ATOM 230 CD2 PHE B 29 46.733 -21.818 7.495 1.00127.92 B C +ANISOU 230 CD2 PHE B 29 14790 16856 16956 -2511 -1243 1517 B C +ATOM 231 CE1 PHE B 29 44.874 -21.034 9.377 1.00120.14 B C +ANISOU 231 CE1 PHE B 29 15005 15334 15309 -2797 -1505 939 B C +ATOM 232 CE2 PHE B 29 47.003 -21.982 8.844 1.00128.73 B C +ANISOU 232 CE2 PHE B 29 14840 17138 16936 -2901 -1640 1658 B C +ATOM 233 CZ PHE B 29 46.070 -21.591 9.785 1.00128.73 B C +ANISOU 233 CZ PHE B 29 15477 16849 16585 -3060 -1777 1346 B C +ATOM 234 N SER B 30 42.839 -19.259 4.114 1.00100.89 B N +ANISOU 234 N SER B 30 13374 12015 12943 -1407 -130 251 B N +ATOM 235 CA SER B 30 42.525 -18.322 3.052 1.00 93.51 B C +ANISOU 235 CA SER B 30 12808 10833 11888 -1284 128 128 B C +ATOM 236 C SER B 30 41.711 -19.021 1.969 1.00 85.13 B C +ANISOU 236 C SER B 30 11681 9729 10937 -708 324 20 B C +ATOM 237 O SER B 30 42.086 -19.033 0.799 1.00 73.62 B O +ANISOU 237 O SER B 30 10137 8261 9575 -552 518 73 B O +ATOM 238 CB SER B 30 43.777 -17.696 2.489 1.00 96.17 B C +ANISOU 238 CB SER B 30 13007 11243 12290 -1630 192 323 B C +ATOM 239 OG SER B 30 44.319 -16.729 3.374 1.00 99.83 B O +ANISOU 239 OG SER B 30 13735 11660 12535 -2248 13 377 B O +ATOM 240 N ARG B 31 40.584 -19.604 2.381 1.00 88.62 B N +ANISOU 240 N ARG B 31 12190 10141 11339 -427 265 -120 B N +ATOM 241 CA ARG B 31 39.685 -20.252 1.441 1.00 86.79 B C +ANISOU 241 CA ARG B 31 11940 9880 11155 28 382 -215 B C +ATOM 242 C ARG B 31 38.259 -19.949 1.844 1.00 81.93 B C +ANISOU 242 C ARG B 31 11630 9133 10366 226 369 -365 B C +ATOM 243 O ARG B 31 37.991 -19.818 3.033 1.00 79.63 B O +ANISOU 243 O ARG B 31 11442 8819 9995 84 265 -391 B O +ATOM 244 CB ARG B 31 39.843 -21.773 1.329 1.00 84.94 B C +ANISOU 244 CB ARG B 31 11302 9834 11137 216 338 -147 B C +ATOM 245 CG ARG B 31 40.944 -22.096 0.328 1.00 93.83 B C +ANISOU 245 CG ARG B 31 12204 11022 12427 253 514 16 B C +ATOM 246 CD ARG B 31 40.873 -23.475 -0.258 1.00 91.88 B C +ANISOU 246 CD ARG B 31 11784 10821 12305 558 613 48 B C +ATOM 247 NE ARG B 31 42.183 -23.902 -0.762 1.00 97.53 B N +ANISOU 247 NE ARG B 31 12208 11627 13220 577 811 297 B N +ATOM 248 CZ ARG B 31 42.551 -23.951 -2.037 1.00109.44 B C +ANISOU 248 CZ ARG B 31 13819 13019 14746 760 1097 348 B C +ATOM 249 NH1 ARG B 31 41.746 -23.535 -2.998 1.00115.51 B N1+ +ANISOU 249 NH1 ARG B 31 14990 13581 15318 897 1172 158 B N1+ +ATOM 250 NH2 ARG B 31 43.733 -24.439 -2.358 1.00115.55 B N +ANISOU 250 NH2 ARG B 31 14290 13885 15729 826 1325 627 B N +ATOM 251 N GLU B 32 37.389 -19.845 0.838 1.00 82.18 B N +ANISOU 251 N GLU B 32 11797 9091 10338 549 483 -426 B N +ATOM 252 CA GLU B 32 35.956 -19.785 1.066 1.00 82.10 B C +ANISOU 252 CA GLU B 32 11925 9044 10226 811 474 -484 B C +ATOM 253 C GLU B 32 35.418 -21.216 1.082 1.00 81.65 B C +ANISOU 253 C GLU B 32 11540 9174 10309 957 334 -493 B C +ATOM 254 O GLU B 32 35.410 -21.880 0.049 1.00 89.34 B O +ANISOU 254 O GLU B 32 12410 10205 11331 1079 337 -489 B O +ATOM 255 CB GLU B 32 35.304 -18.946 -0.029 1.00 84.19 B C +ANISOU 255 CB GLU B 32 12458 9184 10345 1060 626 -481 B C +ATOM 256 CG GLU B 32 34.288 -17.960 0.536 1.00 87.52 B C +ANISOU 256 CG GLU B 32 13207 9457 10589 1225 743 -463 B C +ATOM 257 CD GLU B 32 34.939 -16.654 0.967 1.00 99.30 B C +ANISOU 257 CD GLU B 32 15149 10684 11898 995 914 -482 B C +ATOM 258 OE1 GLU B 32 34.446 -15.971 1.898 1.00 99.41 B O +ANISOU 258 OE1 GLU B 32 15505 10517 11748 1006 1031 -480 B O +ATOM 259 OE2 GLU B 32 35.973 -16.337 0.333 1.00 98.19 B O1- +ANISOU 259 OE2 GLU B 32 15047 10497 11763 786 953 -487 B O1- +ATOM 260 N PHE B 33 34.987 -21.703 2.255 1.00 80.35 B N +ANISOU 260 N PHE B 33 11278 9073 10180 920 228 -507 B N +ATOM 261 CA PHE B 33 34.566 -23.096 2.394 1.00 75.01 B C +ANISOU 261 CA PHE B 33 10321 8553 9625 1001 106 -516 B C +ATOM 262 C PHE B 33 33.293 -23.206 3.246 1.00 81.61 B C +ANISOU 262 C PHE B 33 11165 9419 10426 1120 66 -523 B C +ATOM 263 O PHE B 33 32.877 -22.242 3.901 1.00 84.73 B O +ANISOU 263 O PHE B 33 11793 9693 10709 1149 162 -510 B O +ATOM 264 CB PHE B 33 35.694 -23.979 2.952 1.00 69.75 B C +ANISOU 264 CB PHE B 33 9418 7977 9105 816 32 -477 B C +ATOM 265 CG PHE B 33 36.113 -23.687 4.385 1.00 73.37 B C +ANISOU 265 CG PHE B 33 9898 8434 9545 583 -58 -453 B C +ATOM 266 CD1 PHE B 33 35.325 -24.093 5.449 1.00 74.33 B C +ANISOU 266 CD1 PHE B 33 10033 8567 9643 613 -130 -491 B C +ATOM 267 CD2 PHE B 33 37.289 -23.000 4.671 1.00 83.14 B C +ANISOU 267 CD2 PHE B 33 11166 9657 10765 296 -79 -375 B C +ATOM 268 CE1 PHE B 33 35.695 -23.807 6.754 1.00 78.29 B C +ANISOU 268 CE1 PHE B 33 10645 9031 10073 379 -215 -472 B C +ATOM 269 CE2 PHE B 33 37.653 -22.711 5.980 1.00 81.13 B C +ANISOU 269 CE2 PHE B 33 10999 9396 10431 8 -211 -343 B C +ATOM 270 CZ PHE B 33 36.864 -23.132 7.016 1.00 81.31 B C +ANISOU 270 CZ PHE B 33 11093 9398 10402 60 -277 -400 B C +ATOM 271 N ARG B 34 32.689 -24.407 3.216 1.00 72.82 B N +ANISOU 271 N ARG B 34 9832 8442 9396 1187 -39 -529 B N +ATOM 272 CA ARG B 34 31.534 -24.742 4.029 1.00 69.82 B C +ANISOU 272 CA ARG B 34 9373 8129 9025 1275 -74 -505 B C +ATOM 273 C ARG B 34 31.725 -26.145 4.587 1.00 68.33 B C +ANISOU 273 C ARG B 34 8989 8029 8946 1168 -185 -543 B C +ATOM 274 O ARG B 34 31.502 -27.122 3.882 1.00 78.04 B O +ANISOU 274 O ARG B 34 10110 9339 10204 1173 -255 -555 B O +ATOM 275 CB ARG B 34 30.203 -24.729 3.271 1.00 70.20 B C +ANISOU 275 CB ARG B 34 9339 8294 9039 1470 -99 -419 B C +ATOM 276 CG ARG B 34 28.994 -24.897 4.188 1.00 70.71 B C +ANISOU 276 CG ARG B 34 9279 8446 9140 1579 -83 -328 B C +ATOM 277 CD ARG B 34 27.923 -25.707 3.533 1.00 73.58 B C +ANISOU 277 CD ARG B 34 9385 9036 9537 1608 -235 -233 B C +ATOM 278 NE ARG B 34 26.610 -25.168 3.870 1.00 78.01 B N +ANISOU 278 NE ARG B 34 9812 9714 10113 1831 -152 -23 B N +ATOM 279 CZ ARG B 34 25.699 -25.836 4.544 1.00 88.74 B C +ANISOU 279 CZ ARG B 34 10932 11222 11564 1832 -180 76 B C +ATOM 280 NH1 ARG B 34 25.995 -26.998 5.100 1.00 85.29 B N1+ +ANISOU 280 NH1 ARG B 34 10434 10785 11186 1615 -278 -55 B N1+ +ATOM 281 NH2 ARG B 34 24.489 -25.319 4.704 1.00112.63 B N +ANISOU 281 NH2 ARG B 34 13774 14393 14628 2076 -74 339 B N +ATOM 282 N ALA B 35 32.106 -26.243 5.864 1.00 67.83 B N +ANISOU 282 N ALA B 35 8941 7927 8905 1059 -196 -556 B N +ATOM 283 CA ALA B 35 32.272 -27.522 6.535 1.00 73.48 B C +ANISOU 283 CA ALA B 35 9500 8709 9709 987 -280 -571 B C +ATOM 284 C ALA B 35 30.963 -27.940 7.231 1.00 80.65 B C +ANISOU 284 C ALA B 35 10362 9662 10621 1066 -278 -564 B C +ATOM 285 O ALA B 35 30.154 -27.094 7.624 1.00 87.78 B O +ANISOU 285 O ALA B 35 11366 10522 11466 1172 -182 -519 B O +ATOM 286 CB ALA B 35 33.441 -27.403 7.484 1.00 72.88 B C +ANISOU 286 CB ALA B 35 9451 8599 9642 810 -325 -547 B C +ATOM 287 N SER B 36 30.746 -29.257 7.377 1.00 75.26 B N +ANISOU 287 N SER B 36 9543 9049 10002 1028 -343 -584 B N +ATOM 288 CA SER B 36 29.508 -29.779 7.929 1.00 75.98 B C +ANISOU 288 CA SER B 36 9547 9207 10115 1063 -341 -556 B C +ATOM 289 C SER B 36 29.831 -30.974 8.794 1.00 78.85 B C +ANISOU 289 C SER B 36 9885 9552 10522 969 -373 -596 B C +ATOM 290 O SER B 36 30.753 -31.735 8.500 1.00107.32 B O +ANISOU 290 O SER B 36 13489 13137 14150 916 -403 -623 B O +ATOM 291 CB SER B 36 28.495 -30.215 6.870 1.00 84.32 B C +ANISOU 291 CB SER B 36 10470 10402 11166 1071 -412 -511 B C +ATOM 292 OG SER B 36 28.119 -29.146 6.024 1.00101.58 B O +ANISOU 292 OG SER B 36 12662 12630 13303 1188 -395 -436 B O +ATOM 293 N LEU B 37 28.985 -31.161 9.799 1.00 84.37 B N +ANISOU 293 N LEU B 37 10571 10253 11232 987 -327 -571 B N +ATOM 294 CA LEU B 37 28.953 -32.381 10.583 1.00 83.08 B C +ANISOU 294 CA LEU B 37 10393 10076 11099 912 -340 -599 B C +ATOM 295 C LEU B 37 27.550 -32.959 10.446 1.00 87.40 B C +ANISOU 295 C LEU B 37 10797 10732 11680 893 -328 -551 B C +ATOM 296 O LEU B 37 26.578 -32.210 10.651 1.00 80.72 B O +ANISOU 296 O LEU B 37 9869 9946 10854 997 -247 -448 B O +ATOM 297 CB LEU B 37 29.283 -32.033 12.034 1.00 78.63 B C +ANISOU 297 CB LEU B 37 9982 9400 10493 908 -293 -595 B C +ATOM 298 CG LEU B 37 29.741 -33.189 12.916 1.00 75.82 B C +ANISOU 298 CG LEU B 37 9659 9006 10144 838 -328 -614 B C +ATOM 299 CD1 LEU B 37 31.093 -33.672 12.375 1.00 79.75 B C +ANISOU 299 CD1 LEU B 37 10106 9527 10669 808 -413 -600 B C +ATOM 300 CD2 LEU B 37 29.762 -32.798 14.405 1.00 71.82 B C +ANISOU 300 CD2 LEU B 37 9359 8382 9548 813 -289 -599 B C +ATOM 301 N HIS B 38 27.459 -34.261 10.101 1.00 87.88 B N +ANISOU 301 N HIS B 38 10843 10811 11735 757 -387 -593 B N +ATOM 302 CA HIS B 38 26.179 -34.955 9.990 1.00 83.70 B C +ANISOU 302 CA HIS B 38 10181 10403 11219 631 -417 -534 B C +ATOM 303 C HIS B 38 26.144 -36.171 10.905 1.00 77.98 B C +ANISOU 303 C HIS B 38 9547 9588 10493 530 -362 -583 B C +ATOM 304 O HIS B 38 27.137 -36.866 11.065 1.00 74.53 B O +ANISOU 304 O HIS B 38 9293 9010 10016 529 -339 -667 B O +ATOM 305 CB HIS B 38 25.876 -35.364 8.551 1.00 90.11 B C +ANISOU 305 CB HIS B 38 10981 11306 11952 465 -559 -531 B C +ATOM 306 CG HIS B 38 25.799 -34.203 7.615 1.00 90.61 B C +ANISOU 306 CG HIS B 38 10960 11467 12002 570 -618 -463 B C +ATOM 307 CD2 HIS B 38 24.866 -33.301 7.263 1.00 89.29 B C +ANISOU 307 CD2 HIS B 38 10575 11485 11866 654 -655 -298 B C +ATOM 308 ND1 HIS B 38 26.948 -33.870 6.933 1.00 96.86 B N +ANISOU 308 ND1 HIS B 38 11926 12136 12741 636 -607 -551 B N +ATOM 309 CE1 HIS B 38 26.704 -32.829 6.163 1.00107.33 B C +ANISOU 309 CE1 HIS B 38 13185 13549 14046 726 -648 -478 B C +ATOM 310 NE2 HIS B 38 25.451 -32.451 6.363 1.00108.14 B N +ANISOU 310 NE2 HIS B 38 13053 13838 14196 758 -677 -318 B N +ATOM 311 N LYS B 39 24.985 -36.407 11.520 1.00 80.97 B N +ANISOU 311 N LYS B 39 9785 10055 10924 473 -312 -495 B N +ATOM 312 CA LYS B 39 24.840 -37.480 12.486 1.00 84.25 B C +ANISOU 312 CA LYS B 39 10303 10372 11334 382 -229 -532 B C +ATOM 313 C LYS B 39 23.926 -38.518 11.871 1.00 80.37 B C +ANISOU 313 C LYS B 39 9750 9982 10806 85 -311 -502 B C +ATOM 314 O LYS B 39 22.935 -38.156 11.251 1.00 78.36 B O +ANISOU 314 O LYS B 39 9232 9953 10588 -17 -408 -361 B O +ATOM 315 CB LYS B 39 24.238 -36.977 13.804 1.00 84.47 B C +ANISOU 315 CB LYS B 39 10276 10384 11436 522 -60 -444 B C +ATOM 316 CG LYS B 39 23.948 -38.041 14.871 1.00 87.62 B C +ANISOU 316 CG LYS B 39 10788 10677 11827 434 51 -466 B C +ATOM 317 CD LYS B 39 22.984 -37.520 15.925 1.00 86.07 B C +ANISOU 317 CD LYS B 39 10500 10495 11708 560 261 -328 B C +ATOM 318 CE LYS B 39 21.890 -38.486 16.278 1.00 99.83 B C +ANISOU 318 CE LYS B 39 12106 12313 13511 382 348 -237 B C +ATOM 319 NZ LYS B 39 22.235 -39.324 17.432 1.00110.99 B N1+ +ANISOU 319 NZ LYS B 39 13811 13503 14856 366 469 -334 B N1+ +ATOM 320 N GLY B 40 24.282 -39.795 12.064 1.00 80.87 B N +ANISOU 320 N GLY B 40 10074 9877 10775 -63 -274 -608 B N +ATOM 321 CA GLY B 40 23.445 -40.898 11.629 1.00 88.79 B C +ANISOU 321 CA GLY B 40 11134 10915 11687 -424 -335 -597 B C +ATOM 322 C GLY B 40 24.029 -41.587 10.399 1.00 90.27 B C +ANISOU 322 C GLY B 40 11655 10966 11676 -600 -413 -707 B C +ATOM 323 O GLY B 40 24.696 -40.957 9.565 1.00 91.57 B O +ANISOU 323 O GLY B 40 11852 11127 11816 -469 -469 -733 B O +ATOM 324 N LEU B 41 23.711 -42.878 10.274 1.00 97.42 B N +ANISOU 324 N LEU B 41 12861 11735 12419 -919 -389 -762 B N +ATOM 325 CA LEU B 41 24.203 -43.701 9.176 1.00111.14 B C +ANISOU 325 CA LEU B 41 15077 13252 13900 -1112 -388 -869 B C +ATOM 326 C LEU B 41 23.679 -43.174 7.844 1.00118.45 B C +ANISOU 326 C LEU B 41 15914 14364 14726 -1353 -643 -815 B C +ATOM 327 O LEU B 41 24.417 -43.138 6.861 1.00119.71 B O +ANISOU 327 O LEU B 41 16377 14369 14737 -1303 -628 -888 B O +ATOM 328 CB LEU B 41 23.831 -45.171 9.384 1.00111.37 B C +ANISOU 328 CB LEU B 41 15527 13061 13728 -1455 -288 -934 B C +ATOM 329 CG LEU B 41 24.622 -45.911 10.470 1.00109.92 B C +ANISOU 329 CG LEU B 41 15603 12599 13561 -1180 3 -997 B C +ATOM 330 CD1 LEU B 41 24.020 -47.280 10.800 1.00101.09 B C +ANISOU 330 CD1 LEU B 41 14876 11280 12252 -1544 113 -1044 B C +ATOM 331 CD2 LEU B 41 26.078 -46.014 10.036 1.00115.54 B C +ANISOU 331 CD2 LEU B 41 16633 13063 14206 -822 189 -1045 B C +ATOM 332 N ASP B 42 22.413 -42.734 7.857 1.00131.27 B N +ANISOU 332 N ASP B 42 17099 16333 16443 -1581 -856 -647 B N +ATOM 333 CA ASP B 42 21.729 -42.179 6.700 1.00129.78 B C +ANISOU 333 CA ASP B 42 16723 16410 16178 -1822 -1150 -519 B C +ATOM 334 C ASP B 42 22.064 -40.696 6.516 1.00131.05 B C +ANISOU 334 C ASP B 42 16539 16732 16522 -1396 -1165 -443 B C +ATOM 335 O ASP B 42 21.396 -40.056 5.711 1.00157.45 B O +ANISOU 335 O ASP B 42 19626 20349 19850 -1512 -1398 -280 B O +ATOM 336 CB ASP B 42 20.222 -42.391 6.818 1.00124.29 B C +ANISOU 336 CB ASP B 42 15638 16065 15522 -2243 -1369 -289 B C +ATOM 337 CG ASP B 42 19.583 -41.867 8.102 1.00114.66 B C +ANISOU 337 CG ASP B 42 13877 15062 14626 -1986 -1229 -113 B C +ATOM 338 OD1 ASP B 42 20.310 -41.416 8.995 1.00114.24 B O +ANISOU 338 OD1 ASP B 42 13837 14845 14726 -1527 -976 -207 B O +ATOM 339 OD2 ASP B 42 18.356 -41.939 8.238 1.00105.85 B O1- +ANISOU 339 OD2 ASP B 42 12345 14274 13599 -2261 -1362 141 B O1- +ATOM 340 N SER B 43 23.048 -40.163 7.277 1.00127.99 B N +ANISOU 340 N SER B 43 16153 16188 16288 -942 -935 -533 B N +ATOM 341 CA SER B 43 23.500 -38.763 7.270 1.00116.71 B C +ANISOU 341 CA SER B 43 14495 14842 15008 -556 -901 -487 B C +ATOM 342 C SER B 43 22.367 -37.736 7.187 1.00117.89 B C +ANISOU 342 C SER B 43 14167 15338 15289 -509 -1020 -244 B C +ATOM 343 O SER B 43 22.549 -36.668 6.586 1.00110.31 B O +ANISOU 343 O SER B 43 13108 14457 14349 -310 -1062 -187 B O +ATOM 344 CB SER B 43 24.501 -38.495 6.185 1.00103.06 B C +ANISOU 344 CB SER B 43 13041 12965 13152 -471 -912 -592 B C +ATOM 345 OG SER B 43 25.724 -39.114 6.520 1.00120.21 B O +ANISOU 345 OG SER B 43 15538 14842 15293 -326 -708 -738 B O +ATOM 346 N ALA B 44 21.224 -38.040 7.828 1.00121.44 B N +ANISOU 346 N ALA B 44 14316 15988 15839 -654 -1033 -72 B N +ATOM 347 CA ALA B 44 20.048 -37.182 7.756 1.00123.84 B C +ANISOU 347 CA ALA B 44 14108 16658 16288 -583 -1105 248 B C +ATOM 348 C ALA B 44 20.296 -35.849 8.469 1.00113.14 B C +ANISOU 348 C ALA B 44 12625 15263 15101 -68 -855 312 B C +ATOM 349 O ALA B 44 20.317 -34.803 7.822 1.00116.83 B O +ANISOU 349 O ALA B 44 12991 15827 15574 137 -890 413 B O +ATOM 350 CB ALA B 44 18.830 -37.902 8.308 1.00133.20 B C +ANISOU 350 CB ALA B 44 14984 18068 17559 -863 -1133 456 B C +ATOM 351 N VAL B 45 20.525 -35.901 9.788 1.00104.41 B N +ANISOU 351 N VAL B 45 11608 13975 14087 118 -596 242 B N +ATOM 352 CA VAL B 45 20.617 -34.719 10.632 1.00 89.87 B C +ANISOU 352 CA VAL B 45 9747 12050 12350 539 -328 314 B C +ATOM 353 C VAL B 45 21.940 -34.004 10.388 1.00 81.30 B C +ANISOU 353 C VAL B 45 8992 10729 11169 713 -313 104 B C +ATOM 354 O VAL B 45 22.981 -34.647 10.448 1.00 76.15 B O +ANISOU 354 O VAL B 45 8624 9877 10431 603 -362 -128 B O +ATOM 355 CB VAL B 45 20.535 -35.082 12.125 1.00 91.66 B C +ANISOU 355 CB VAL B 45 10081 12106 12638 621 -75 282 B C +ATOM 356 CG1 VAL B 45 20.749 -33.832 12.974 1.00106.58 B C +ANISOU 356 CG1 VAL B 45 12121 13826 14551 1015 213 325 B C +ATOM 357 CG2 VAL B 45 19.269 -35.842 12.501 1.00 93.68 B C +ANISOU 357 CG2 VAL B 45 10014 12576 13006 438 -39 497 B C +ATOM 358 N GLU B 46 21.884 -32.679 10.196 1.00 88.00 B N +ANISOU 358 N GLU B 46 9801 11598 12037 997 -211 219 B N +ATOM 359 CA GLU B 46 23.077 -31.854 10.072 1.00 91.02 B C +ANISOU 359 CA GLU B 46 10493 11760 12331 1136 -170 52 B C +ATOM 360 C GLU B 46 23.328 -31.175 11.411 1.00 75.39 B C +ANISOU 360 C GLU B 46 8751 9553 10342 1343 98 33 B C +ATOM 361 O GLU B 46 22.604 -30.287 11.783 1.00 82.35 B O +ANISOU 361 O GLU B 46 9597 10437 11253 1592 325 221 B O +ATOM 362 CB GLU B 46 22.937 -30.838 8.936 1.00101.58 B C +ANISOU 362 CB GLU B 46 11747 13212 13638 1271 -227 167 B C +ATOM 363 CG GLU B 46 24.195 -30.002 8.727 1.00105.47 B C +ANISOU 363 CG GLU B 46 12563 13477 14033 1360 -186 -3 B C +ATOM 364 CD GLU B 46 24.257 -29.305 7.384 1.00112.83 B C +ANISOU 364 CD GLU B 46 13468 14497 14906 1417 -286 53 B C +ATOM 365 OE1 GLU B 46 23.322 -28.500 7.110 1.00106.88 B O +ANISOU 365 OE1 GLU B 46 12540 13889 14180 1631 -207 295 B O +ATOM 366 OE2 GLU B 46 25.242 -29.587 6.647 1.00110.28 B O1- +ANISOU 366 OE2 GLU B 46 13301 14090 14510 1276 -413 -117 B O1- +ATOM 367 N VAL B 47 24.351 -31.611 12.133 1.00 71.72 B N +ANISOU 367 N VAL B 47 8558 8882 9811 1238 81 -166 B N +ATOM 368 CA VAL B 47 24.644 -31.133 13.477 1.00 83.80 B C +ANISOU 368 CA VAL B 47 10392 10179 11271 1335 277 -198 B C +ATOM 369 C VAL B 47 25.188 -29.689 13.470 1.00 85.24 B C +ANISOU 369 C VAL B 47 10863 10193 11332 1469 383 -204 B C +ATOM 370 O VAL B 47 24.828 -28.859 14.312 1.00 69.52 B O +ANISOU 370 O VAL B 47 9135 8021 9257 1634 645 -127 B O +ATOM 371 CB VAL B 47 25.655 -32.119 14.116 1.00 88.31 B C +ANISOU 371 CB VAL B 47 11127 10635 11792 1142 149 -370 B C +ATOM 372 CG1 VAL B 47 26.226 -31.620 15.439 1.00 85.48 B C +ANISOU 372 CG1 VAL B 47 11145 10036 11299 1156 254 -416 B C +ATOM 373 CG2 VAL B 47 25.076 -33.519 14.319 1.00 92.63 B C +ANISOU 373 CG2 VAL B 47 11511 11269 12416 1019 119 -369 B C +ATOM 374 N CYS B 48 26.128 -29.397 12.567 1.00 87.89 B N +ANISOU 374 N CYS B 48 11225 10541 11629 1381 211 -299 B N +ATOM 375 CA CYS B 48 26.876 -28.144 12.631 1.00 85.41 B C +ANISOU 375 CA CYS B 48 11240 10040 11172 1406 279 -337 B C +ATOM 376 C CYS B 48 27.396 -27.736 11.253 1.00 85.40 B C +ANISOU 376 C CYS B 48 11137 10128 11181 1389 152 -361 B C +ATOM 377 O CYS B 48 27.696 -28.581 10.411 1.00 82.54 B O +ANISOU 377 O CYS B 48 10549 9912 10898 1285 -33 -410 B O +ATOM 378 CB CYS B 48 28.061 -28.235 13.581 1.00 85.82 B C +ANISOU 378 CB CYS B 48 11582 9923 11103 1190 186 -458 B C +ATOM 379 SG CYS B 48 28.657 -26.624 14.155 0.71101.97 B S +ANISOU 379 SG CYS B 48 14185 11670 12889 1133 321 -474 B S +ATOM 380 N VAL B 49 27.473 -26.416 11.023 1.00 93.69 B N +ANISOU 380 N VAL B 49 12427 11048 12122 1502 293 -321 B N +ATOM 381 CA VAL B 49 27.872 -25.881 9.728 1.00 85.83 B C +ANISOU 381 CA VAL B 49 11384 10111 11119 1518 220 -327 B C +ATOM 382 C VAL B 49 28.851 -24.734 9.935 1.00 77.48 B C +ANISOU 382 C VAL B 49 10727 8819 9892 1418 291 -392 B C +ATOM 383 O VAL B 49 28.426 -23.690 10.393 1.00 79.79 B O +ANISOU 383 O VAL B 49 11354 8916 10047 1559 534 -328 B O +ATOM 384 CB VAL B 49 26.689 -25.377 8.888 1.00 82.80 B C +ANISOU 384 CB VAL B 49 10829 9858 10772 1792 327 -144 B C +ATOM 385 CG1 VAL B 49 27.218 -24.893 7.537 1.00 87.13 B C +ANISOU 385 CG1 VAL B 49 11381 10442 11282 1781 230 -171 B C +ATOM 386 CG2 VAL B 49 25.559 -26.407 8.770 1.00 77.85 B C +ANISOU 386 CG2 VAL B 49 9793 9494 10292 1829 243 -20 B C +ATOM 387 N VAL B 50 30.129 -24.946 9.602 1.00 75.08 B N +ANISOU 387 N VAL B 50 10403 8532 9593 1176 107 -489 B N +ATOM 388 CA VAL B 50 31.168 -23.959 9.824 1.00 85.11 B C +ANISOU 388 CA VAL B 50 12007 9625 10708 973 117 -530 B C +ATOM 389 C VAL B 50 31.540 -23.396 8.460 1.00 81.06 B C +ANISOU 389 C VAL B 50 11446 9145 10208 1014 123 -525 B C +ATOM 390 O VAL B 50 32.183 -24.089 7.705 1.00 82.72 B O +ANISOU 390 O VAL B 50 11385 9503 10542 943 -19 -544 B O +ATOM 391 CB VAL B 50 32.378 -24.557 10.583 1.00 90.86 B C +ANISOU 391 CB VAL B 50 12697 10387 11439 647 -97 -567 B C +ATOM 392 CG1 VAL B 50 33.608 -23.653 10.550 1.00105.06 B C +ANISOU 392 CG1 VAL B 50 14712 12097 13109 344 -169 -562 B C +ATOM 393 CG2 VAL B 50 32.020 -24.857 12.047 1.00 97.19 B C +ANISOU 393 CG2 VAL B 50 13693 11087 12148 588 -81 -573 B C +ATOM 394 N TYR B 51 31.154 -22.146 8.166 1.00 84.90 B N +ANISOU 394 N TYR B 51 12245 9462 10550 1151 328 -486 B N +ATOM 395 CA TYR B 51 31.528 -21.459 6.932 1.00 76.72 B C +ANISOU 395 CA TYR B 51 11251 8411 9487 1187 364 -480 B C +ATOM 396 C TYR B 51 32.832 -20.693 7.134 1.00 74.91 B C +ANISOU 396 C TYR B 51 11314 8022 9126 845 343 -534 B C +ATOM 397 O TYR B 51 32.981 -19.951 8.108 1.00 71.14 B O +ANISOU 397 O TYR B 51 11264 7319 8447 678 431 -550 B O +ATOM 398 CB TYR B 51 30.526 -20.394 6.490 1.00 72.94 B C +ANISOU 398 CB TYR B 51 11007 7814 8895 1517 621 -377 B C +ATOM 399 CG TYR B 51 29.227 -20.916 5.906 1.00 73.80 B C +ANISOU 399 CG TYR B 51 10760 8149 9132 1850 617 -240 B C +ATOM 400 CD1 TYR B 51 29.122 -21.197 4.558 1.00 79.14 B C +ANISOU 400 CD1 TYR B 51 11187 9006 9875 1922 486 -207 B C +ATOM 401 CD2 TYR B 51 28.098 -21.080 6.698 1.00 76.59 B C +ANISOU 401 CD2 TYR B 51 11047 8534 9518 2066 748 -115 B C +ATOM 402 CE1 TYR B 51 27.924 -21.621 4.003 1.00 89.34 B C +ANISOU 402 CE1 TYR B 51 12164 10537 11245 2146 423 -45 B C +ATOM 403 CE2 TYR B 51 26.893 -21.499 6.157 1.00 89.45 B C +ANISOU 403 CE2 TYR B 51 12293 10424 11271 2323 719 73 B C +ATOM 404 CZ TYR B 51 26.800 -21.780 4.804 1.00 89.59 B C +ANISOU 404 CZ TYR B 51 12050 10653 11337 2334 523 112 B C +ATOM 405 OH TYR B 51 25.581 -22.192 4.319 1.00 77.85 B O +ANISOU 405 OH TYR B 51 10179 9458 9942 2512 436 335 B O +ATOM 406 N GLY B 52 33.754 -20.843 6.177 1.00 74.68 B N +ANISOU 406 N GLY B 52 11090 8097 9189 724 243 -542 B N +ATOM 407 CA GLY B 52 35.047 -20.174 6.253 1.00 79.52 B C +ANISOU 407 CA GLY B 52 11873 8624 9716 359 202 -541 B C +ATOM 408 C GLY B 52 35.196 -19.060 5.224 1.00 79.11 B C +ANISOU 408 C GLY B 52 12081 8425 9555 406 376 -539 B C +ATOM 409 O GLY B 52 34.725 -19.201 4.106 1.00 89.37 B O +ANISOU 409 O GLY B 52 13237 9790 10928 692 441 -527 B O +ATOM 410 N ASN B 53 35.896 -17.991 5.634 1.00 83.33 B N +ANISOU 410 N ASN B 53 13025 8753 9884 75 431 -546 B N +ATOM 411 CA ASN B 53 36.156 -16.793 4.848 1.00 89.90 B C +ANISOU 411 CA ASN B 53 14219 9380 10558 40 623 -548 B C +ATOM 412 C ASN B 53 37.581 -16.776 4.314 1.00 94.60 B C +ANISOU 412 C ASN B 53 14603 10092 11249 -328 508 -496 B C +ATOM 413 O ASN B 53 38.451 -17.508 4.809 1.00106.84 B O +ANISOU 413 O ASN B 53 15791 11858 12945 -613 280 -426 B O +ATOM 414 CB ASN B 53 36.087 -15.527 5.693 1.00 97.84 B C +ANISOU 414 CB ASN B 53 15940 10021 11215 -177 795 -581 B C +ATOM 415 CG ASN B 53 34.995 -14.590 5.277 1.00103.61 B C +ANISOU 415 CG ASN B 53 17121 10481 11764 251 1149 -572 B C +ATOM 416 ND2 ASN B 53 34.668 -13.664 6.149 1.00 95.85 B N +ANISOU 416 ND2 ASN B 53 16819 9136 10465 185 1378 -588 B N +ATOM 417 OD1 ASN B 53 34.467 -14.705 4.168 1.00135.02 B O +ANISOU 417 OD1 ASN B 53 20864 14570 15868 639 1225 -528 B O +ATOM 418 N TYR B 54 37.806 -15.880 3.346 1.00 92.85 B N +ANISOU 418 N TYR B 54 14622 9721 10937 -309 693 -496 B N +ATOM 419 CA TYR B 54 39.132 -15.691 2.781 1.00100.17 B C +ANISOU 419 CA TYR B 54 15385 10730 11945 -655 653 -416 B C +ATOM 420 C TYR B 54 40.044 -15.093 3.853 1.00106.83 B C +ANISOU 420 C TYR B 54 16459 11511 12621 -1278 510 -369 B C +ATOM 421 O TYR B 54 41.219 -15.446 3.959 1.00121.66 B O +ANISOU 421 O TYR B 54 17945 13628 14653 -1655 319 -222 B O +ATOM 422 CB TYR B 54 39.144 -14.815 1.524 1.00 97.42 B C +ANISOU 422 CB TYR B 54 15304 10202 11509 -510 907 -430 B C +ATOM 423 CG TYR B 54 40.486 -14.896 0.801 1.00103.17 B C +ANISOU 423 CG TYR B 54 15723 11073 12403 -787 895 -312 B C +ATOM 424 CD1 TYR B 54 40.803 -16.006 0.022 1.00101.47 B C +ANISOU 424 CD1 TYR B 54 14975 11102 12477 -560 870 -235 B C +ATOM 425 CD2 TYR B 54 41.448 -13.888 0.920 1.00107.44 B C +ANISOU 425 CD2 TYR B 54 16525 11493 12803 -1292 934 -253 B C +ATOM 426 CE1 TYR B 54 42.013 -16.091 -0.648 1.00109.69 B C +ANISOU 426 CE1 TYR B 54 15729 12262 13687 -744 938 -80 B C +ATOM 427 CE2 TYR B 54 42.670 -13.967 0.265 1.00104.35 B C +ANISOU 427 CE2 TYR B 54 15782 11266 12598 -1538 950 -90 B C +ATOM 428 CZ TYR B 54 42.951 -15.075 -0.520 1.00109.92 B C +ANISOU 428 CZ TYR B 54 15927 12218 13620 -1227 974 9 B C +ATOM 429 OH TYR B 54 44.134 -15.206 -1.192 1.00108.28 B O +ANISOU 429 OH TYR B 54 15355 12165 13619 -1388 1066 215 B O +ATOM 430 N SER B 55 39.490 -14.189 4.665 1.00101.74 B N +ANISOU 430 N SER B 55 16474 10544 11640 -1394 610 -460 B N +ATOM 431 CA SER B 55 40.257 -13.543 5.712 1.00105.00 B C +ANISOU 431 CA SER B 55 17270 10832 11792 -2054 463 -432 B C +ATOM 432 C SER B 55 40.168 -14.369 6.992 1.00111.29 B C +ANISOU 432 C SER B 55 17899 11779 12609 -2189 192 -414 B C +ATOM 433 O SER B 55 40.230 -13.818 8.084 1.00125.15 B O +ANISOU 433 O SER B 55 20200 13314 14037 -2594 124 -445 B O +ATOM 434 CB SER B 55 39.797 -12.124 5.886 1.00108.23 B C +ANISOU 434 CB SER B 55 18609 10743 11768 -2139 762 -537 B C +ATOM 435 OG SER B 55 38.388 -12.031 5.719 1.00113.68 B O +ANISOU 435 OG SER B 55 19549 11237 12408 -1477 1064 -616 B O +ATOM 436 N GLN B 56 40.056 -15.698 6.821 1.00114.73 B N +ANISOU 436 N GLN B 56 17632 12560 13399 -1866 51 -360 B N +ATOM 437 CA GLN B 56 40.143 -16.718 7.855 1.00112.99 B C +ANISOU 437 CA GLN B 56 17092 12560 13279 -1957 -223 -305 B C +ATOM 438 C GLN B 56 39.167 -16.465 8.995 1.00107.99 B C +ANISOU 438 C GLN B 56 17026 11644 12363 -1902 -152 -430 B C +ATOM 439 O GLN B 56 39.446 -16.850 10.124 1.00106.74 B O +ANISOU 439 O GLN B 56 16887 11550 12120 -2207 -392 -388 B O +ATOM 440 CB GLN B 56 41.559 -16.839 8.409 1.00116.55 B C +ANISOU 440 CB GLN B 56 17261 13266 13757 -2587 -567 -102 B C +ATOM 441 CG GLN B 56 42.577 -17.281 7.368 1.00118.89 B C +ANISOU 441 CG GLN B 56 16883 13893 14396 -2581 -599 98 B C +ATOM 442 CD GLN B 56 43.986 -17.236 7.901 1.00117.06 B C +ANISOU 442 CD GLN B 56 16335 13950 14193 -3227 -927 381 B C +ATOM 443 NE2 GLN B 56 44.948 -17.374 7.001 1.00126.90 B N +ANISOU 443 NE2 GLN B 56 17054 15452 15712 -3267 -890 604 B N +ATOM 444 OE1 GLN B 56 44.206 -17.111 9.108 1.00114.67 B O +ANISOU 444 OE1 GLN B 56 16243 13657 13669 -3685 -1213 430 B O +ATOM 445 N GLN B 57 38.002 -15.889 8.687 1.00110.03 B N +ANISOU 445 N GLN B 57 17707 11608 12491 -1469 193 -545 B N +ATOM 446 CA GLN B 57 36.977 -15.676 9.690 1.00114.06 B C +ANISOU 446 CA GLN B 57 18733 11837 12766 -1302 362 -619 B C +ATOM 447 C GLN B 57 35.979 -16.832 9.622 1.00110.99 B C +ANISOU 447 C GLN B 57 17840 11665 12666 -760 381 -618 B C +ATOM 448 O GLN B 57 35.826 -17.494 8.598 1.00110.93 B O +ANISOU 448 O GLN B 57 17283 11912 12955 -449 356 -593 B O +ATOM 449 CB GLN B 57 36.366 -14.296 9.455 1.00114.40 B C +ANISOU 449 CB GLN B 57 19554 11430 12486 -1151 774 -673 B C +ATOM 450 CG GLN B 57 36.432 -13.374 10.662 1.00131.19 B C +ANISOU 450 CG GLN B 57 22604 13113 14130 -1555 885 -723 B C +ATOM 451 CD GLN B 57 37.829 -12.853 10.927 1.00142.74 B C +ANISOU 451 CD GLN B 57 24300 14557 15378 -2370 597 -707 B C +ATOM 452 NE2 GLN B 57 38.386 -13.223 12.074 1.00150.84 B N +ANISOU 452 NE2 GLN B 57 25397 15649 16265 -2881 265 -680 B N +ATOM 453 OE1 GLN B 57 38.397 -12.100 10.127 1.00136.69 B O +ANISOU 453 OE1 GLN B 57 23662 13722 14553 -2567 664 -697 B O +ATOM 454 N LEU B 58 35.277 -17.085 10.728 1.00101.92 B N +ANISOU 454 N LEU B 58 16928 10392 11403 -675 435 -641 B N +ATOM 455 CA LEU B 58 34.367 -18.220 10.776 1.00 99.15 B C +ANISOU 455 CA LEU B 58 16100 10255 11316 -247 432 -626 B C +ATOM 456 C LEU B 58 32.938 -17.791 11.125 1.00 99.22 B C +ANISOU 456 C LEU B 58 16479 10014 11206 204 815 -607 B C +ATOM 457 O LEU B 58 32.716 -16.986 12.025 1.00115.36 B O +ANISOU 457 O LEU B 58 19219 11688 12924 115 1037 -622 B O +ATOM 458 CB LEU B 58 34.881 -19.251 11.785 1.00101.82 B C +ANISOU 458 CB LEU B 58 16190 10775 11723 -522 122 -615 B C +ATOM 459 CG LEU B 58 36.022 -20.183 11.348 1.00102.59 B C +ANISOU 459 CG LEU B 58 15642 11251 12088 -736 -220 -545 B C +ATOM 460 CD1 LEU B 58 36.266 -21.314 12.391 1.00104.00 B C +ANISOU 460 CD1 LEU B 58 15569 11605 12341 -864 -470 -499 B C +ATOM 461 CD2 LEU B 58 35.803 -20.789 9.958 1.00 95.57 B C +ANISOU 461 CD2 LEU B 58 14221 10585 11508 -366 -166 -532 B C +ATOM 462 N GLN B 59 31.963 -18.421 10.463 1.00 95.14 B N +ANISOU 462 N GLN B 59 15486 9713 10950 676 891 -544 B N +ATOM 463 CA GLN B 59 30.548 -18.270 10.778 1.00 97.25 B C +ANISOU 463 CA GLN B 59 15877 9872 11203 1145 1223 -440 B C +ATOM 464 C GLN B 59 29.984 -19.644 11.155 1.00 93.00 B C +ANISOU 464 C GLN B 59 14798 9617 10919 1265 1067 -415 B C +ATOM 465 O GLN B 59 29.579 -20.397 10.286 1.00 95.17 B O +ANISOU 465 O GLN B 59 14509 10201 11450 1453 942 -367 B O +ATOM 466 CB GLN B 59 29.875 -17.765 9.501 1.00104.81 B C +ANISOU 466 CB GLN B 59 16675 10902 12246 1554 1402 -326 B C +ATOM 467 CG GLN B 59 28.911 -16.601 9.667 1.00116.27 B C +ANISOU 467 CG GLN B 59 18649 12037 13492 1963 1891 -173 B C +ATOM 468 CD GLN B 59 28.562 -15.952 8.337 1.00130.60 B C +ANISOU 468 CD GLN B 59 20366 13912 15342 2288 2016 -52 B C +ATOM 469 NE2 GLN B 59 28.212 -14.674 8.366 1.00139.27 B N +ANISOU 469 NE2 GLN B 59 22086 14647 16182 2539 2447 53 B N +ATOM 470 OE1 GLN B 59 28.584 -16.582 7.272 1.00143.51 B O +ANISOU 470 OE1 GLN B 59 21430 15893 17205 2326 1751 -39 B O +ATOM 471 N VAL B 60 29.924 -19.972 12.449 1.00 94.21 B N +ANISOU 471 N VAL B 60 15180 9645 10972 1135 1081 -444 B N +ATOM 472 CA VAL B 60 29.470 -21.284 12.916 1.00 89.85 B C +ANISOU 472 CA VAL B 60 14182 9324 10633 1202 946 -431 B C +ATOM 473 C VAL B 60 27.955 -21.266 13.168 1.00 82.18 B C +ANISOU 473 C VAL B 60 13173 8326 9727 1665 1295 -267 B C +ATOM 474 O VAL B 60 27.422 -20.311 13.680 1.00 97.77 B O +ANISOU 474 O VAL B 60 15666 9987 11496 1867 1678 -181 B O +ATOM 475 CB VAL B 60 30.301 -21.719 14.154 1.00 91.27 B C +ANISOU 475 CB VAL B 60 14594 9412 10672 798 742 -527 B C +ATOM 476 CG1 VAL B 60 29.856 -23.055 14.743 1.00 94.04 B C +ANISOU 476 CG1 VAL B 60 14575 9948 11207 868 639 -517 B C +ATOM 477 CG2 VAL B 60 31.800 -21.792 13.827 1.00 91.14 B C +ANISOU 477 CG2 VAL B 60 14459 9521 10649 358 379 -594 B C +ATOM 478 N TYR B 61 27.241 -22.328 12.772 1.00 85.20 B N +ANISOU 478 N TYR B 61 12941 9039 10392 1835 1185 -191 B N +ATOM 479 CA TYR B 61 25.797 -22.461 12.960 1.00 87.78 B C +ANISOU 479 CA TYR B 61 13068 9445 10840 2232 1465 28 B C +ATOM 480 C TYR B 61 25.480 -23.840 13.548 1.00 93.55 B C +ANISOU 480 C TYR B 61 13432 10369 11745 2134 1309 8 B C +ATOM 481 O TYR B 61 26.075 -24.810 13.092 1.00 90.33 B O +ANISOU 481 O TYR B 61 12684 10178 11460 1889 956 -117 B O +ATOM 482 CB TYR B 61 25.057 -22.351 11.623 1.00 79.82 B C +ANISOU 482 CB TYR B 61 11593 8725 10008 2507 1451 210 B C +ATOM 483 CG TYR B 61 25.150 -20.984 10.973 1.00 81.38 B C +ANISOU 483 CG TYR B 61 12131 8742 10047 2700 1664 282 B C +ATOM 484 CD1 TYR B 61 24.215 -20.002 11.251 1.00 96.29 B C +ANISOU 484 CD1 TYR B 61 14295 10445 11845 3139 2136 533 B C +ATOM 485 CD2 TYR B 61 26.185 -20.655 10.106 1.00 89.26 B C +ANISOU 485 CD2 TYR B 61 13212 9726 10978 2472 1448 123 B C +ATOM 486 CE1 TYR B 61 24.304 -18.733 10.691 1.00105.29 B C +ANISOU 486 CE1 TYR B 61 15826 11372 12809 3343 2381 608 B C +ATOM 487 CE2 TYR B 61 26.291 -19.391 9.544 1.00 92.97 B C +ANISOU 487 CE2 TYR B 61 14051 9995 11279 2631 1666 180 B C +ATOM 488 CZ TYR B 61 25.342 -18.431 9.825 1.00 98.52 B C +ANISOU 488 CZ TYR B 61 15062 10499 11873 3069 2128 416 B C +ATOM 489 OH TYR B 61 25.467 -17.209 9.231 1.00108.93 B O +ANISOU 489 OH TYR B 61 16784 11596 13008 3241 2364 476 B O +ATOM 490 N SER B 62 24.577 -23.908 14.545 1.00 95.85 B N +ANISOU 490 N SER B 62 13841 10549 12029 2338 1615 140 B N +ATOM 491 CA SER B 62 24.177 -25.158 15.185 1.00101.94 B C +ANISOU 491 CA SER B 62 14318 11466 12948 2259 1528 139 B C +ATOM 492 C SER B 62 22.690 -25.397 14.958 1.00116.85 B C +ANISOU 492 C SER B 62 15742 13596 15060 2595 1746 439 B C +ATOM 493 O SER B 62 21.907 -24.596 15.458 1.00135.47 B O +ANISOU 493 O SER B 62 18328 15782 17364 2946 2191 658 B O +ATOM 494 CB SER B 62 24.362 -25.091 16.655 1.00103.14 B C +ANISOU 494 CB SER B 62 15010 11281 12896 2185 1718 69 B C +ATOM 495 OG SER B 62 25.614 -24.568 17.062 1.00 98.38 B O +ANISOU 495 OG SER B 62 14942 10418 12021 1871 1574 -130 B O +ATOM 496 N LYS B 63 22.294 -26.459 14.241 1.00115.24 B N +ANISOU 496 N LYS B 63 14928 13773 15083 2483 1463 483 B N +ATOM 497 CA LYS B 63 21.037 -26.341 13.513 1.00140.83 B C +ANISOU 497 CA LYS B 63 17665 17332 18513 2749 1559 822 B C +ATOM 498 C LYS B 63 19.904 -27.128 14.161 1.00143.97 B C +ANISOU 498 C LYS B 63 17703 17905 19093 2820 1709 1046 B C +ATOM 499 O LYS B 63 18.730 -26.754 14.030 1.00137.69 B O +ANISOU 499 O LYS B 63 16569 17305 18440 3143 1962 1433 B O +ATOM 500 CB LYS B 63 21.094 -26.729 12.032 1.00136.71 B C +ANISOU 500 CB LYS B 63 16704 17155 18087 2584 1161 824 B C +ATOM 501 CG LYS B 63 22.125 -26.047 11.154 1.00133.00 B C +ANISOU 501 CG LYS B 63 16482 16574 17476 2515 1004 642 B C +ATOM 502 CD LYS B 63 21.604 -25.846 9.739 1.00132.54 B C +ANISOU 502 CD LYS B 63 16044 16827 17487 2594 831 833 B C +ATOM 503 CE LYS B 63 20.391 -24.967 9.680 1.00126.53 B C +ANISOU 503 CE LYS B 63 15089 16192 16796 3034 1142 1249 B C +ATOM 504 NZ LYS B 63 20.106 -24.698 8.278 1.00137.02 B N1+ +ANISOU 504 NZ LYS B 63 16118 17803 18139 3076 917 1414 B N1+ +ATOM 505 N THR B 64 20.269 -28.243 14.807 1.00129.31 B N +ANISOU 505 N THR B 64 15882 16007 17242 2518 1548 837 B N +ATOM 506 CA THR B 64 19.296 -29.284 15.104 1.00132.92 B C +ANISOU 506 CA THR B 64 15906 16708 17889 2444 1556 1007 B C +ATOM 507 C THR B 64 19.240 -29.527 16.607 1.00119.54 B C +ANISOU 507 C THR B 64 14570 14719 16132 2497 1864 957 B C +ATOM 508 O THR B 64 19.009 -30.650 17.052 1.00126.09 B O +ANISOU 508 O THR B 64 15242 15625 17041 2288 1784 916 B O +ATOM 509 CB THR B 64 19.642 -30.559 14.321 1.00139.45 B C +ANISOU 509 CB THR B 64 16446 17772 18768 2013 1082 828 B C +ATOM 510 CG2 THR B 64 19.347 -30.445 12.833 1.00126.54 B C +ANISOU 510 CG2 THR B 64 14418 16469 17192 1945 801 957 B C +ATOM 511 OG1 THR B 64 21.031 -30.835 14.502 1.00154.61 B O +ANISOU 511 OG1 THR B 64 18779 19439 20526 1804 896 462 B O +ATOM 512 N GLY B 65 19.442 -28.469 17.396 1.00112.65 B N +ANISOU 512 N GLY B 65 14250 13472 15079 2760 2235 962 B N +ATOM 513 CA GLY B 65 19.460 -28.594 18.852 1.00116.17 B C +ANISOU 513 CA GLY B 65 15178 13569 15391 2799 2540 902 B C +ATOM 514 C GLY B 65 20.762 -29.227 19.358 1.00102.72 B C +ANISOU 514 C GLY B 65 13859 11671 13497 2410 2205 518 B C +ATOM 515 O GLY B 65 20.753 -30.120 20.210 1.00 90.34 B O +ANISOU 515 O GLY B 65 12373 10032 11920 2272 2206 443 B O +ATOM 516 N PHE B 66 21.870 -28.783 18.752 1.00 99.99 B N +ANISOU 516 N PHE B 66 13691 11281 13021 2241 1912 316 B N +ATOM 517 CA PHE B 66 23.214 -29.081 19.215 1.00 88.65 B C +ANISOU 517 CA PHE B 66 12624 9671 11388 1916 1620 34 B C +ATOM 518 C PHE B 66 23.918 -27.795 19.646 1.00 87.22 B C +ANISOU 518 C PHE B 66 13103 9137 10901 1909 1738 -38 B C +ATOM 519 O PHE B 66 23.675 -26.719 19.120 1.00 86.92 B O +ANISOU 519 O PHE B 66 13172 9034 10820 2108 1930 60 B O +ATOM 520 CB PHE B 66 23.989 -29.737 18.076 1.00 86.37 B C +ANISOU 520 CB PHE B 66 11941 9659 11216 1680 1171 -101 B C +ATOM 521 CG PHE B 66 23.655 -31.209 17.897 1.00 92.82 B C +ANISOU 521 CG PHE B 66 12342 10709 12217 1546 1004 -113 B C +ATOM 522 CD1 PHE B 66 24.324 -32.178 18.641 1.00 94.46 B C +ANISOU 522 CD1 PHE B 66 12702 10830 12359 1349 861 -255 B C +ATOM 523 CD2 PHE B 66 22.672 -31.610 16.989 1.00 85.18 B C +ANISOU 523 CD2 PHE B 66 10867 10041 11458 1593 985 38 B C +ATOM 524 CE1 PHE B 66 24.033 -33.517 18.443 1.00 83.68 B C +ANISOU 524 CE1 PHE B 66 11043 9626 11126 1225 749 -272 B C +ATOM 525 CE2 PHE B 66 22.366 -32.943 16.824 1.00 73.81 B C +ANISOU 525 CE2 PHE B 66 9143 8772 10130 1398 835 18 B C +ATOM 526 CZ PHE B 66 23.034 -33.885 17.559 1.00 76.81 B C +ANISOU 526 CZ PHE B 66 9736 9013 10435 1229 749 -148 B C +ATOM 527 N ASN B 67 24.829 -27.931 20.600 1.00 89.93 B N +ANISOU 527 N ASN B 67 13913 9252 11004 1641 1600 -199 B N +ATOM 528 CA ASN B 67 25.648 -26.847 21.100 1.00 93.38 B C +ANISOU 528 CA ASN B 67 15038 9353 11088 1475 1615 -286 B C +ATOM 529 C ASN B 67 26.994 -26.984 20.384 1.00 89.36 B C +ANISOU 529 C ASN B 67 14324 9040 10589 1135 1121 -423 B C +ATOM 530 O ASN B 67 27.866 -27.720 20.824 1.00 91.32 B O +ANISOU 530 O ASN B 67 14546 9356 10793 853 797 -506 B O +ATOM 531 CB ASN B 67 25.648 -26.924 22.628 1.00108.91 B C +ANISOU 531 CB ASN B 67 17642 10969 12768 1379 1780 -316 B C +ATOM 532 CG ASN B 67 26.394 -25.824 23.344 1.00139.85 B C +ANISOU 532 CG ASN B 67 22428 14476 16231 1129 1809 -396 B C +ATOM 533 ND2 ASN B 67 26.225 -25.809 24.660 1.00164.71 B N +ANISOU 533 ND2 ASN B 67 26230 17268 19084 1073 2016 -403 B N +ATOM 534 OD1 ASN B 67 27.116 -25.013 22.740 1.00138.26 B O +ANISOU 534 OD1 ASN B 67 22355 14260 15917 951 1648 -449 B O +ATOM 535 N CYS B 68 27.166 -26.299 19.251 1.00 94.12 B N +ANISOU 535 N CYS B 68 14752 9748 11262 1188 1082 -411 B N +ATOM 536 CA CYS B 68 28.384 -26.422 18.457 1.00 87.93 B C +ANISOU 536 CA CYS B 68 13721 9162 10526 914 678 -501 B C +ATOM 537 C CYS B 68 29.210 -25.136 18.448 1.00 82.33 B C +ANISOU 537 C CYS B 68 13513 8231 9537 690 652 -543 B C +ATOM 538 O CYS B 68 28.663 -24.026 18.462 1.00 87.14 B O +ANISOU 538 O CYS B 68 14550 8578 9982 860 990 -500 B O +ATOM 539 CB CYS B 68 28.044 -26.801 17.027 1.00 91.76 B C +ANISOU 539 CB CYS B 68 13590 9963 11311 1091 608 -464 B C +ATOM 540 SG CYS B 68 29.489 -27.078 15.984 0.78107.42 B S +ANISOU 540 SG CYS B 68 15262 12172 13383 827 205 -544 B S +ATOM 541 N ASP B 69 30.541 -25.323 18.390 1.00 76.45 B N +ANISOU 541 N ASP B 69 12694 7606 8747 311 263 -596 B N +ATOM 542 CA ASP B 69 31.548 -24.267 18.271 1.00 82.49 B C +ANISOU 542 CA ASP B 69 13816 8250 9278 -28 128 -619 B C +ATOM 543 C ASP B 69 32.611 -24.736 17.267 1.00 82.19 B C +ANISOU 543 C ASP B 69 13197 8562 9470 -182 -215 -598 B C +ATOM 544 O ASP B 69 32.846 -25.944 17.152 1.00 98.69 B O +ANISOU 544 O ASP B 69 14795 10914 11789 -136 -398 -569 B O +ATOM 545 CB ASP B 69 32.199 -23.928 19.616 1.00 91.03 B C +ANISOU 545 CB ASP B 69 15527 9085 9974 -453 -9 -634 B C +ATOM 546 CG ASP B 69 31.514 -22.953 20.593 1.00 96.27 B C +ANISOU 546 CG ASP B 69 17089 9249 10239 -434 368 -663 B C +ATOM 547 OD1 ASP B 69 30.365 -22.480 20.321 1.00 91.53 B O +ANISOU 547 OD1 ASP B 69 16627 8470 9680 10 834 -634 B O +ATOM 548 OD2 ASP B 69 32.122 -22.668 21.664 1.00 94.05 B O1- +ANISOU 548 OD2 ASP B 69 17408 8746 9579 -864 211 -683 B O1- +ATOM 549 N GLY B 70 33.254 -23.801 16.536 1.00 83.98 B N +ANISOU 549 N GLY B 70 13511 8769 9629 -346 -257 -597 B N +ATOM 550 CA GLY B 70 34.167 -24.144 15.439 1.00 84.84 B C +ANISOU 550 CA GLY B 70 13079 9182 9975 -419 -480 -551 B C +ATOM 551 C GLY B 70 35.559 -23.499 15.570 1.00 86.22 B C +ANISOU 551 C GLY B 70 13384 9387 9989 -919 -748 -481 B C +ATOM 552 O GLY B 70 35.662 -22.336 15.936 1.00113.96 B O +ANISOU 552 O GLY B 70 17482 12627 13189 -1176 -679 -516 B O +ATOM 553 N LYS B 71 36.632 -24.240 15.236 1.00 82.98 B N +ANISOU 553 N LYS B 71 12437 9306 9786 -1061 -1028 -352 B N +ATOM 554 CA LYS B 71 37.997 -23.721 15.203 1.00 83.08 B C +ANISOU 554 CA LYS B 71 12391 9451 9725 -1531 -1299 -207 B C +ATOM 555 C LYS B 71 38.705 -24.146 13.908 1.00 86.92 B C +ANISOU 555 C LYS B 71 12251 10230 10544 -1389 -1316 -91 B C +ATOM 556 O LYS B 71 38.712 -25.321 13.568 1.00 86.29 B O +ANISOU 556 O LYS B 71 11701 10353 10731 -1096 -1311 -30 B O +ATOM 557 CB LYS B 71 38.779 -24.168 16.449 1.00 86.95 B C +ANISOU 557 CB LYS B 71 12883 10073 10082 -1922 -1655 -51 B C +ATOM 558 CG LYS B 71 40.166 -23.545 16.615 1.00 96.90 B C +ANISOU 558 CG LYS B 71 14102 11504 11214 -2524 -2001 159 B C +ATOM 559 CD LYS B 71 40.454 -23.023 18.027 1.00108.19 B C +ANISOU 559 CD LYS B 71 16127 12778 12204 -3093 -2275 196 B C +ATOM 560 CE LYS B 71 39.706 -21.760 18.446 1.00104.14 B C +ANISOU 560 CE LYS B 71 16575 11742 11250 -3260 -2034 -36 B C +ATOM 561 NZ LYS B 71 39.695 -21.599 19.904 1.00102.49 B N1+ +ANISOU 561 NZ LYS B 71 17019 11316 10607 -3669 -2219 -39 B N1+ +ATOM 562 N LEU B 72 39.345 -23.198 13.195 1.00 99.31 B N +ANISOU 562 N LEU B 72 13866 11791 12076 -1608 -1309 -49 B N +ATOM 563 CA LEU B 72 40.009 -23.458 11.917 1.00 95.52 B C +ANISOU 563 CA LEU B 72 12877 11533 11883 -1466 -1257 65 B C +ATOM 564 C LEU B 72 41.507 -23.690 12.125 1.00 94.18 B C +ANISOU 564 C LEU B 72 12270 11695 11821 -1836 -1547 378 B C +ATOM 565 O LEU B 72 42.111 -23.043 12.974 1.00 85.81 B O +ANISOU 565 O LEU B 72 11430 10645 10530 -2362 -1806 479 B O +ATOM 566 CB LEU B 72 39.779 -22.274 10.975 1.00 98.07 B C +ANISOU 566 CB LEU B 72 13505 11648 12108 -1456 -1038 -52 B C +ATOM 567 CG LEU B 72 40.442 -22.406 9.604 1.00107.93 B C +ANISOU 567 CG LEU B 72 14329 13068 13612 -1318 -940 53 B C +ATOM 568 CD1 LEU B 72 39.875 -23.601 8.827 1.00108.96 B C +ANISOU 568 CD1 LEU B 72 14113 13289 13997 -798 -785 11 B C +ATOM 569 CD2 LEU B 72 40.291 -21.128 8.814 1.00116.89 B C +ANISOU 569 CD2 LEU B 72 15839 13976 14599 -1372 -746 -51 B C +ATOM 570 N GLY B 73 42.119 -24.569 11.313 1.00102.67 B N +ANISOU 570 N GLY B 73 12748 13036 13227 -1576 -1489 565 B N +ATOM 571 CA GLY B 73 43.532 -24.878 11.479 1.00114.49 B C +ANISOU 571 CA GLY B 73 13718 14900 14882 -1838 -1716 953 B C +ATOM 572 C GLY B 73 44.146 -25.605 10.285 1.00113.97 B C +ANISOU 572 C GLY B 73 13099 15033 15172 -1464 -1488 1155 B C +ATOM 573 O GLY B 73 44.201 -26.845 10.256 1.00117.44 B O +ANISOU 573 O GLY B 73 13213 15598 15811 -1095 -1403 1277 B O +ATOM 574 N ASN B 74 44.629 -24.789 9.334 1.00108.72 B N +ANISOU 574 N ASN B 74 12401 14357 14552 -1576 -1359 1198 B N +ATOM 575 CA ASN B 74 45.405 -25.245 8.198 1.00111.29 B C +ANISOU 575 CA ASN B 74 12253 14851 15181 -1302 -1115 1440 B C +ATOM 576 C ASN B 74 44.538 -26.197 7.373 1.00101.40 B C +ANISOU 576 C ASN B 74 11089 13410 14029 -698 -783 1232 B C +ATOM 577 O ASN B 74 43.671 -25.727 6.640 1.00100.92 B O +ANISOU 577 O ASN B 74 11412 13079 13854 -554 -608 929 B O +ATOM 578 CB ASN B 74 46.778 -25.745 8.645 1.00126.37 B C +ANISOU 578 CB ASN B 74 13507 17198 17310 -1471 -1297 1959 B C +ATOM 579 CG ASN B 74 47.717 -25.946 7.472 1.00146.24 B C +ANISOU 579 CG ASN B 74 15551 19880 20132 -1240 -991 2276 B C +ATOM 580 ND2 ASN B 74 48.767 -26.723 7.687 1.00161.50 B N +ANISOU 580 ND2 ASN B 74 16839 22193 22332 -1144 -1013 2778 B N +ATOM 581 OD1 ASN B 74 47.498 -25.418 6.373 1.00169.76 B O +ANISOU 581 OD1 ASN B 74 18749 22645 23108 -1116 -709 2099 B O +ATOM 582 N GLU B 75 44.764 -27.518 7.509 1.00111.86 B N +ANISOU 582 N GLU B 75 12094 14872 15537 -370 -707 1415 B N +ATOM 583 CA GLU B 75 44.068 -28.517 6.706 1.00114.05 B C +ANISOU 583 CA GLU B 75 12498 14961 15875 135 -391 1254 B C +ATOM 584 C GLU B 75 43.010 -29.238 7.555 1.00 95.87 B C +ANISOU 584 C GLU B 75 10431 12546 13450 238 -501 1029 B C +ATOM 585 O GLU B 75 42.772 -30.433 7.398 1.00 89.67 B O +ANISOU 585 O GLU B 75 9620 11713 12737 575 -332 1039 B O +ATOM 586 CB GLU B 75 45.076 -29.418 5.977 1.00121.75 B C +ANISOU 586 CB GLU B 75 13072 16074 17114 471 -91 1615 B C +ATOM 587 CG GLU B 75 46.256 -29.892 6.824 1.00127.63 B C +ANISOU 587 CG GLU B 75 13254 17192 18046 400 -237 2102 B C +ATOM 588 CD GLU B 75 47.229 -30.863 6.137 1.00137.88 B C +ANISOU 588 CD GLU B 75 14147 18618 19624 844 152 2530 B C +ATOM 589 OE1 GLU B 75 47.551 -30.690 4.937 1.00133.36 B O +ANISOU 589 OE1 GLU B 75 13590 17938 19143 1034 507 2581 B O +ATOM 590 OE2 GLU B 75 47.759 -31.774 6.825 1.00138.48 B O1- +ANISOU 590 OE2 GLU B 75 13879 18909 19830 1017 129 2872 B O1- +ATOM 591 N SER B 76 42.317 -28.489 8.422 1.00 84.32 B N +ANISOU 591 N SER B 76 9265 10996 11776 -47 -739 817 B N +ATOM 592 CA SER B 76 41.366 -29.091 9.343 1.00 78.08 B C +ANISOU 592 CA SER B 76 8679 10112 10877 21 -832 643 B C +ATOM 593 C SER B 76 40.364 -28.071 9.867 1.00 80.11 B C +ANISOU 593 C SER B 76 9382 10168 10889 -183 -929 365 B C +ATOM 594 O SER B 76 40.621 -26.865 9.900 1.00 90.60 B O +ANISOU 594 O SER B 76 10882 11450 12090 -476 -1005 351 B O +ATOM 595 CB SER B 76 42.056 -29.741 10.504 1.00 75.50 B C +ANISOU 595 CB SER B 76 8096 10000 10592 -86 -1045 900 B C +ATOM 596 OG SER B 76 42.603 -28.763 11.377 1.00 77.36 B O +ANISOU 596 OG SER B 76 8366 10343 10685 -563 -1356 1006 B O +ATOM 597 N VAL B 77 39.233 -28.620 10.310 1.00 80.57 B N +ANISOU 597 N VAL B 77 9640 10096 10878 -15 -892 175 B N +ATOM 598 CA VAL B 77 38.208 -27.908 11.040 1.00 80.57 B C +ANISOU 598 CA VAL B 77 10041 9907 10666 -118 -926 -26 B C +ATOM 599 C VAL B 77 37.928 -28.720 12.298 1.00 82.58 B C +ANISOU 599 C VAL B 77 10327 10174 10874 -129 -1039 -13 B C +ATOM 600 O VAL B 77 37.800 -29.934 12.218 1.00 99.01 B O +ANISOU 600 O VAL B 77 12214 12319 13086 97 -980 18 B O +ATOM 601 CB VAL B 77 36.948 -27.758 10.161 1.00 79.28 B C +ANISOU 601 CB VAL B 77 10043 9590 10491 150 -715 -231 B C +ATOM 602 CG1 VAL B 77 35.711 -27.412 10.985 1.00 82.14 B C +ANISOU 602 CG1 VAL B 77 10726 9787 10696 182 -673 -372 B C +ATOM 603 CG2 VAL B 77 37.141 -26.704 9.083 1.00 84.58 B C +ANISOU 603 CG2 VAL B 77 10798 10203 11136 132 -616 -255 B C +ATOM 604 N THR B 78 37.788 -28.076 13.460 1.00 84.04 B N +ANISOU 604 N THR B 78 10834 10257 10839 -391 -1171 -44 B N +ATOM 605 CA THR B 78 37.413 -28.803 14.669 1.00 81.56 B C +ANISOU 605 CA THR B 78 10626 9913 10450 -390 -1250 -49 B C +ATOM 606 C THR B 78 36.017 -28.396 15.154 1.00 81.72 B C +ANISOU 606 C THR B 78 11072 9668 10310 -287 -1072 -258 B C +ATOM 607 O THR B 78 35.711 -27.219 15.291 1.00 86.55 B O +ANISOU 607 O THR B 78 12068 10089 10728 -412 -999 -335 B O +ATOM 608 CB THR B 78 38.468 -28.583 15.747 1.00 76.93 B C +ANISOU 608 CB THR B 78 10075 9437 9716 -784 -1562 144 B C +ATOM 609 CG2 THR B 78 38.195 -29.457 16.952 1.00 76.44 B C +ANISOU 609 CG2 THR B 78 10107 9360 9578 -761 -1653 168 B C +ATOM 610 OG1 THR B 78 39.710 -28.926 15.137 1.00 78.29 B O +ANISOU 610 OG1 THR B 78 9750 9903 10095 -817 -1675 404 B O +ATOM 611 N PHE B 79 35.152 -29.390 15.392 1.00 84.36 B N +ANISOU 611 N PHE B 79 11345 9981 10725 -43 -960 -322 B N +ATOM 612 CA PHE B 79 33.818 -29.154 15.929 1.00 83.33 B C +ANISOU 612 CA PHE B 79 11528 9645 10489 86 -762 -449 B C +ATOM 613 C PHE B 79 33.804 -29.461 17.423 1.00 76.98 B C +ANISOU 613 C PHE B 79 10999 8737 9512 -51 -838 -428 B C +ATOM 614 O PHE B 79 34.002 -30.605 17.821 1.00 72.04 B O +ANISOU 614 O PHE B 79 10184 8217 8972 -4 -923 -373 B O +ATOM 615 CB PHE B 79 32.801 -30.027 15.190 1.00 83.87 B C +ANISOU 615 CB PHE B 79 11341 9775 10750 386 -597 -509 B C +ATOM 616 CG PHE B 79 32.753 -29.762 13.695 1.00 87.13 B C +ANISOU 616 CG PHE B 79 11545 10275 11287 503 -541 -527 B C +ATOM 617 CD1 PHE B 79 31.919 -28.777 13.189 1.00 90.06 B C +ANISOU 617 CD1 PHE B 79 12048 10560 11609 614 -386 -566 B C +ATOM 618 CD2 PHE B 79 33.528 -30.494 12.808 1.00 90.00 B C +ANISOU 618 CD2 PHE B 79 11621 10784 11794 531 -610 -478 B C +ATOM 619 CE1 PHE B 79 31.850 -28.536 11.834 1.00 89.15 B C +ANISOU 619 CE1 PHE B 79 11773 10524 11578 716 -355 -572 B C +ATOM 620 CE2 PHE B 79 33.472 -30.236 11.454 1.00 98.03 B C +ANISOU 620 CE2 PHE B 79 12529 11839 12879 626 -545 -500 B C +ATOM 621 CZ PHE B 79 32.637 -29.258 10.976 1.00100.36 B C +ANISOU 621 CZ PHE B 79 12951 12068 13114 699 -445 -554 B C +ATOM 622 N TYR B 80 33.582 -28.427 18.238 1.00 81.29 B N +ANISOU 622 N TYR B 80 12062 9041 9783 -216 -782 -467 B N +ATOM 623 CA TYR B 80 33.512 -28.583 19.681 1.00 82.64 B C +ANISOU 623 CA TYR B 80 12628 9050 9721 -369 -830 -458 B C +ATOM 624 C TYR B 80 32.044 -28.725 20.096 1.00 79.88 B C +ANISOU 624 C TYR B 80 12491 8493 9365 -69 -472 -541 B C +ATOM 625 O TYR B 80 31.360 -27.726 20.288 1.00 67.43 B O +ANISOU 625 O TYR B 80 11341 6657 7621 -2 -206 -581 B O +ATOM 626 CB TYR B 80 34.221 -27.401 20.353 1.00 90.51 B C +ANISOU 626 CB TYR B 80 14163 9868 10360 -788 -978 -435 B C +ATOM 627 CG TYR B 80 34.245 -27.463 21.880 1.00117.31 B C +ANISOU 627 CG TYR B 80 18092 13055 13425 -1025 -1064 -422 B C +ATOM 628 CD1 TYR B 80 34.019 -28.644 22.592 1.00114.60 B C +ANISOU 628 CD1 TYR B 80 17619 12774 13149 -900 -1101 -389 B C +ATOM 629 CD2 TYR B 80 34.516 -26.321 22.626 1.00134.76 B C +ANISOU 629 CD2 TYR B 80 21026 14969 15207 -1409 -1102 -441 B C +ATOM 630 CE1 TYR B 80 34.062 -28.686 23.979 1.00112.17 B C +ANISOU 630 CE1 TYR B 80 17845 12263 12511 -1123 -1185 -372 B C +ATOM 631 CE2 TYR B 80 34.564 -26.351 24.013 1.00130.90 B C +ANISOU 631 CE2 TYR B 80 21123 14257 14355 -1670 -1194 -429 B C +ATOM 632 CZ TYR B 80 34.315 -27.531 24.693 1.00119.11 B C +ANISOU 632 CZ TYR B 80 19459 12845 12950 -1510 -1233 -393 B C +ATOM 633 OH TYR B 80 34.383 -27.577 26.055 1.00135.48 B O +ANISOU 633 OH TYR B 80 22139 14692 14645 -1769 -1332 -375 B O +ATOM 634 N LEU B 81 31.578 -29.970 20.292 1.00 83.09 B N +ANISOU 634 N LEU B 81 12626 9001 9942 108 -437 -536 B N +ATOM 635 CA LEU B 81 30.211 -30.216 20.724 1.00 83.46 B C +ANISOU 635 CA LEU B 81 12795 8900 10017 359 -107 -567 B C +ATOM 636 C LEU B 81 30.124 -30.243 22.246 1.00 80.10 B C +ANISOU 636 C LEU B 81 12896 8219 9317 245 -53 -565 B C +ATOM 637 O LEU B 81 30.741 -31.073 22.881 1.00 83.39 B O +ANISOU 637 O LEU B 81 13289 8705 9692 105 -276 -536 B O +ATOM 638 CB LEU B 81 29.696 -31.540 20.175 1.00 89.22 B C +ANISOU 638 CB LEU B 81 13029 9839 11031 544 -84 -565 B C +ATOM 639 CG LEU B 81 29.878 -31.776 18.679 1.00 95.61 B C +ANISOU 639 CG LEU B 81 13372 10887 12070 615 -173 -569 B C +ATOM 640 CD1 LEU B 81 29.404 -33.180 18.349 1.00 98.02 B C +ANISOU 640 CD1 LEU B 81 13360 11323 12560 711 -153 -576 B C +ATOM 641 CD2 LEU B 81 29.133 -30.717 17.906 1.00 97.05 B C +ANISOU 641 CD2 LEU B 81 13552 11042 12279 757 12 -565 B C +ATOM 642 N GLN B 82 29.274 -29.383 22.809 1.00 81.41 B N +ANISOU 642 N GLN B 82 13555 8078 9298 352 292 -574 B N +ATOM 643 CA GLN B 82 29.007 -29.307 24.241 1.00 89.04 B C +ANISOU 643 CA GLN B 82 15146 8720 9964 284 447 -575 B C +ATOM 644 C GLN B 82 27.558 -29.702 24.538 1.00 87.32 B C +ANISOU 644 C GLN B 82 14890 8401 9886 651 900 -530 B C +ATOM 645 O GLN B 82 26.786 -29.897 23.612 1.00 86.23 B O +ANISOU 645 O GLN B 82 14241 8465 10056 910 1051 -480 B O +ATOM 646 CB GLN B 82 29.253 -27.899 24.779 1.00103.60 B C +ANISOU 646 CB GLN B 82 17768 10196 11397 91 557 -596 B C +ATOM 647 CG GLN B 82 30.687 -27.413 24.581 1.00107.31 B C +ANISOU 647 CG GLN B 82 18312 10769 11694 -364 94 -607 B C +ATOM 648 CD GLN B 82 30.896 -25.991 25.041 1.00113.09 B C +ANISOU 648 CD GLN B 82 19888 11104 11977 -624 209 -639 B C +ATOM 649 NE2 GLN B 82 30.846 -25.050 24.100 1.00117.75 B N +ANISOU 649 NE2 GLN B 82 20459 11669 12610 -550 345 -653 B N +ATOM 650 OE1 GLN B 82 31.097 -25.752 26.235 1.00104.90 B O +ANISOU 650 OE1 GLN B 82 19573 9758 10525 -904 182 -651 B O +ATOM 651 N ASN B 83 27.247 -29.949 25.825 1.00 92.82 B N +ANISOU 651 N ASN B 83 16078 8825 10364 637 1073 -524 B N +ATOM 652 CA ASN B 83 25.920 -30.326 26.305 1.00 94.97 B C +ANISOU 652 CA ASN B 83 16366 8974 10746 960 1540 -445 B C +ATOM 653 C ASN B 83 25.286 -31.457 25.476 1.00 99.79 B C +ANISOU 653 C ASN B 83 16162 9961 11793 1130 1517 -399 B C +ATOM 654 O ASN B 83 24.065 -31.488 25.298 1.00122.12 B O +ANISOU 654 O ASN B 83 18758 12823 14820 1415 1891 -272 B O +ATOM 655 CB ASN B 83 25.028 -29.090 26.410 1.00 99.37 B C +ANISOU 655 CB ASN B 83 17348 9224 11182 1238 2071 -347 B C +ATOM 656 CG ASN B 83 25.450 -28.160 27.529 1.00119.10 B C +ANISOU 656 CG ASN B 83 20868 11224 13162 1053 2202 -397 B C +ATOM 657 ND2 ASN B 83 25.368 -28.613 28.769 1.00127.54 B N +ANISOU 657 ND2 ASN B 83 22429 12034 13996 974 2301 -412 B N +ATOM 658 OD1 ASN B 83 25.826 -27.007 27.294 1.00126.44 B O +ANISOU 658 OD1 ASN B 83 22219 11964 13861 959 2235 -421 B O +ATOM 659 N LEU B 84 26.096 -32.413 24.985 1.00 90.20 B N +ANISOU 659 N LEU B 84 14533 9025 10713 947 1097 -470 B N +ATOM 660 CA LEU B 84 25.584 -33.580 24.274 1.00 82.68 B C +ANISOU 660 CA LEU B 84 12968 8359 10087 1029 1065 -450 B C +ATOM 661 C LEU B 84 24.754 -34.431 25.237 1.00 87.08 B C +ANISOU 661 C LEU B 84 13637 8795 10656 1108 1326 -408 B C +ATOM 662 O LEU B 84 25.121 -34.599 26.401 1.00 83.09 B O +ANISOU 662 O LEU B 84 13611 8054 9907 1022 1330 -440 B O +ATOM 663 CB LEU B 84 26.735 -34.410 23.707 1.00 80.20 B C +ANISOU 663 CB LEU B 84 12365 8267 9840 845 641 -521 B C +ATOM 664 CG LEU B 84 27.326 -34.000 22.355 1.00 85.49 B C +ANISOU 664 CG LEU B 84 12687 9159 10638 811 423 -539 B C +ATOM 665 CD1 LEU B 84 28.649 -34.707 22.146 1.00 84.68 B C +ANISOU 665 CD1 LEU B 84 12442 9196 10535 658 73 -555 B C +ATOM 666 CD2 LEU B 84 26.396 -34.312 21.195 1.00 88.31 B C +ANISOU 666 CD2 LEU B 84 12571 9723 11260 939 528 -509 B C +ATOM 667 N TYR B 85 23.659 -35.014 24.738 1.00 89.80 B N +ANISOU 667 N TYR B 85 13535 9314 11271 1232 1517 -320 B N +ATOM 668 CA TYR B 85 22.903 -35.997 25.506 1.00 94.90 B C +ANISOU 668 CA TYR B 85 14195 9895 11969 1256 1739 -273 B C +ATOM 669 C TYR B 85 23.477 -37.407 25.296 1.00 91.14 B C +ANISOU 669 C TYR B 85 13530 9551 11550 1067 1449 -375 B C +ATOM 670 O TYR B 85 24.079 -37.741 24.281 1.00 78.86 B O +ANISOU 670 O TYR B 85 11674 8201 10087 968 1159 -436 B O +ATOM 671 CB TYR B 85 21.423 -35.947 25.120 1.00100.47 B C +ANISOU 671 CB TYR B 85 14490 10750 12933 1429 2083 -74 B C +ATOM 672 CG TYR B 85 20.736 -34.606 25.313 1.00100.78 B C +ANISOU 672 CG TYR B 85 14695 10653 12943 1718 2476 100 B C +ATOM 673 CD1 TYR B 85 20.581 -34.069 26.577 1.00105.81 B C +ANISOU 673 CD1 TYR B 85 15966 10897 13341 1864 2844 136 B C +ATOM 674 CD2 TYR B 85 20.183 -33.909 24.243 1.00107.71 B C +ANISOU 674 CD2 TYR B 85 15140 11771 14012 1868 2523 257 B C +ATOM 675 CE1 TYR B 85 19.920 -32.867 26.772 1.00120.54 B C +ANISOU 675 CE1 TYR B 85 18071 12577 15154 2178 3298 321 B C +ATOM 676 CE2 TYR B 85 19.530 -32.703 24.416 1.00118.71 B C +ANISOU 676 CE2 TYR B 85 16702 13024 15378 2199 2945 462 B C +ATOM 677 CZ TYR B 85 19.390 -32.182 25.689 1.00128.92 B C +ANISOU 677 CZ TYR B 85 18666 13888 16429 2371 3365 496 B C +ATOM 678 OH TYR B 85 18.736 -30.992 25.848 1.00135.75 B O +ANISOU 678 OH TYR B 85 19776 14561 17243 2745 3863 720 B O +ATOM 679 N VAL B 86 23.249 -38.278 26.275 1.00101.05 B N +ANISOU 679 N VAL B 86 15011 10652 12733 1042 1583 -379 B N +ATOM 680 CA VAL B 86 23.737 -39.645 26.194 1.00 94.59 B C +ANISOU 680 CA VAL B 86 14111 9895 11934 908 1391 -453 B C +ATOM 681 C VAL B 86 23.064 -40.351 25.012 1.00 90.81 B C +ANISOU 681 C VAL B 86 13127 9669 11706 819 1377 -434 B C +ATOM 682 O VAL B 86 23.659 -41.241 24.410 1.00 79.33 B O +ANISOU 682 O VAL B 86 11578 8295 10267 708 1171 -508 B O +ATOM 683 CB VAL B 86 23.489 -40.364 27.532 1.00 98.13 B C +ANISOU 683 CB VAL B 86 14953 10095 12238 917 1594 -446 B C +ATOM 684 CG1 VAL B 86 22.025 -40.245 27.973 1.00105.00 B C +ANISOU 684 CG1 VAL B 86 15784 10891 13221 1016 2046 -325 B C +ATOM 685 CG2 VAL B 86 23.936 -41.822 27.488 1.00108.02 B C +ANISOU 685 CG2 VAL B 86 16179 11371 13491 816 1458 -502 B C +ATOM 686 N ASN B 87 21.818 -39.943 24.692 1.00 93.17 B N +ANISOU 686 N ASN B 87 13129 10089 12181 866 1609 -301 B N +ATOM 687 CA ASN B 87 21.015 -40.508 23.609 1.00 87.23 B C +ANISOU 687 CA ASN B 87 11892 9611 11640 709 1566 -232 B C +ATOM 688 C ASN B 87 21.542 -40.051 22.236 1.00 85.23 B C +ANISOU 688 C ASN B 87 11381 9565 11437 665 1269 -278 B C +ATOM 689 O ASN B 87 20.993 -40.401 21.200 1.00 90.71 B O +ANISOU 689 O ASN B 87 11723 10490 12255 500 1167 -225 B O +ATOM 690 CB ASN B 87 19.537 -40.198 23.866 1.00 83.63 B C +ANISOU 690 CB ASN B 87 11162 9256 11358 783 1907 8 B C +ATOM 691 CG ASN B 87 19.253 -38.731 23.692 1.00 90.75 B C +ANISOU 691 CG ASN B 87 11969 10204 12307 1050 2045 152 B C +ATOM 692 ND2 ASN B 87 18.059 -38.260 24.004 1.00104.30 B N +ANISOU 692 ND2 ASN B 87 13474 11984 14171 1231 2415 423 B N +ATOM 693 OD1 ASN B 87 20.131 -37.992 23.230 1.00 95.97 B O +ANISOU 693 OD1 ASN B 87 12748 10843 12873 1108 1839 43 B O +ATOM 694 N GLN B 88 22.616 -39.257 22.213 1.00 80.86 B N +ANISOU 694 N GLN B 88 11026 8931 10767 776 1118 -364 B N +ATOM 695 CA GLN B 88 23.192 -38.769 20.971 1.00 78.43 B C +ANISOU 695 CA GLN B 88 10516 8786 10497 753 872 -405 B C +ATOM 696 C GLN B 88 24.406 -39.602 20.545 1.00 77.33 B C +ANISOU 696 C GLN B 88 10475 8624 10282 652 629 -537 B C +ATOM 697 O GLN B 88 25.124 -39.223 19.618 1.00 76.97 B O +ANISOU 697 O GLN B 88 10331 8669 10244 654 445 -574 B O +ATOM 698 CB GLN B 88 23.533 -37.293 21.157 1.00 79.18 B C +ANISOU 698 CB GLN B 88 10756 8810 10519 926 906 -378 B C +ATOM 699 CG GLN B 88 22.591 -36.343 20.433 1.00 87.81 B C +ANISOU 699 CG GLN B 88 11552 10066 11746 1051 1031 -227 B C +ATOM 700 CD GLN B 88 22.217 -35.108 21.237 1.00 93.91 B C +ANISOU 700 CD GLN B 88 12592 10652 12436 1291 1337 -120 B C +ATOM 701 NE2 GLN B 88 20.942 -34.767 21.207 1.00 96.91 B N +ANISOU 701 NE2 GLN B 88 12725 11132 12964 1466 1632 108 B N +ATOM 702 OE1 GLN B 88 23.039 -34.434 21.863 1.00 97.75 B O +ANISOU 702 OE1 GLN B 88 13521 10904 12715 1316 1326 -209 B O +ATOM 703 N THR B 89 24.643 -40.732 21.218 1.00 75.45 B N +ANISOU 703 N THR B 89 10444 8252 9970 597 667 -580 B N +ATOM 704 CA THR B 89 25.743 -41.625 20.874 1.00 73.70 B C +ANISOU 704 CA THR B 89 10330 7990 9681 573 521 -643 B C +ATOM 705 C THR B 89 25.490 -42.186 19.480 1.00 69.88 B C +ANISOU 705 C THR B 89 9668 7621 9263 431 462 -677 B C +ATOM 706 O THR B 89 24.465 -42.805 19.252 1.00 75.15 B O +ANISOU 706 O THR B 89 10266 8321 9965 250 550 -670 B O +ATOM 707 CB THR B 89 25.811 -42.725 21.936 1.00 73.95 B C +ANISOU 707 CB THR B 89 10648 7836 9612 574 639 -649 B C +ATOM 708 CG2 THR B 89 26.855 -43.777 21.628 1.00 74.51 B C +ANISOU 708 CG2 THR B 89 10855 7843 9613 615 571 -659 B C +ATOM 709 OG1 THR B 89 26.105 -42.102 23.184 1.00 75.99 B O +ANISOU 709 OG1 THR B 89 11129 7980 9762 677 655 -613 B O +ATOM 710 N ASP B 90 26.379 -41.913 18.527 1.00 71.93 B N +ANISOU 710 N ASP B 90 9864 7944 9523 478 314 -698 B N +ATOM 711 CA ASP B 90 26.075 -42.195 17.123 1.00 81.33 B C +ANISOU 711 CA ASP B 90 10941 9226 10735 331 256 -730 B C +ATOM 712 C ASP B 90 27.351 -42.068 16.283 1.00 75.53 B C +ANISOU 712 C ASP B 90 10242 8483 9973 449 162 -743 B C +ATOM 713 O ASP B 90 28.439 -41.805 16.808 1.00 74.22 B O +ANISOU 713 O ASP B 90 10117 8286 9800 625 125 -694 B O +ATOM 714 CB ASP B 90 24.937 -41.315 16.583 1.00 79.85 B C +ANISOU 714 CB ASP B 90 10451 9240 10647 237 214 -674 B C +ATOM 715 CG ASP B 90 23.981 -41.948 15.576 1.00 77.33 B C +ANISOU 715 CG ASP B 90 10026 9036 10321 -58 160 -659 B C +ATOM 716 OD1 ASP B 90 24.446 -42.588 14.631 1.00 82.84 B O +ANISOU 716 OD1 ASP B 90 10895 9668 10913 -176 91 -733 B O +ATOM 717 OD2 ASP B 90 22.761 -41.794 15.735 1.00 84.85 B O1- +ANISOU 717 OD2 ASP B 90 10737 10144 11359 -183 191 -545 B O1- +ATOM 718 N ILE B 91 27.186 -42.286 14.974 1.00 68.45 B N +ANISOU 718 N ILE B 91 9333 7622 9051 325 122 -779 B N +ATOM 719 CA ILE B 91 28.239 -42.035 14.016 1.00 72.26 B C +ANISOU 719 CA ILE B 91 9835 8100 9521 442 78 -774 B C +ATOM 720 C ILE B 91 28.069 -40.622 13.480 1.00 76.46 B C +ANISOU 720 C ILE B 91 10105 8811 10135 463 -56 -758 B C +ATOM 721 O ILE B 91 26.946 -40.220 13.159 1.00 75.23 B O +ANISOU 721 O ILE B 91 9795 8781 10007 325 -111 -751 B O +ATOM 722 CB ILE B 91 28.215 -43.087 12.895 1.00 70.20 B C +ANISOU 722 CB ILE B 91 9845 7703 9125 302 157 -828 B C +ATOM 723 CG1 ILE B 91 29.446 -42.938 12.000 1.00 70.21 B C +ANISOU 723 CG1 ILE B 91 9919 7646 9110 496 204 -791 B C +ATOM 724 CG2 ILE B 91 26.914 -43.090 12.089 1.00 62.48 B C +ANISOU 724 CG2 ILE B 91 8819 6828 8093 -33 47 -872 B C +ATOM 725 CD1 ILE B 91 29.672 -44.159 11.151 1.00 69.79 B C +ANISOU 725 CD1 ILE B 91 10300 7343 8873 442 394 -824 B C +ATOM 726 N TYR B 92 29.190 -39.884 13.405 1.00 71.69 B N +ANISOU 726 N TYR B 92 9440 8230 9569 634 -102 -715 B N +ATOM 727 CA TYR B 92 29.168 -38.512 12.919 1.00 72.06 B C +ANISOU 727 CA TYR B 92 9310 8401 9667 662 -200 -703 B C +ATOM 728 C TYR B 92 30.110 -38.415 11.729 1.00 78.24 B C +ANISOU 728 C TYR B 92 10107 9177 10442 723 -208 -693 B C +ATOM 729 O TYR B 92 31.171 -39.009 11.745 1.00 87.68 B O +ANISOU 729 O TYR B 92 11381 10299 11636 833 -137 -635 B O +ATOM 730 CB TYR B 92 29.568 -37.516 14.012 1.00 62.24 B C +ANISOU 730 CB TYR B 92 8034 7172 8444 743 -239 -657 B C +ATOM 731 CG TYR B 92 28.531 -37.397 15.118 1.00 60.22 B C +ANISOU 731 CG TYR B 92 7816 6887 8178 717 -169 -658 B C +ATOM 732 CD1 TYR B 92 28.338 -38.421 16.031 1.00 68.07 B C +ANISOU 732 CD1 TYR B 92 8934 7788 9140 692 -95 -662 B C +ATOM 733 CD2 TYR B 92 27.728 -36.288 15.246 1.00 59.58 B C +ANISOU 733 CD2 TYR B 92 7675 6848 8113 751 -124 -629 B C +ATOM 734 CE1 TYR B 92 27.391 -38.345 17.040 1.00 65.78 B C +ANISOU 734 CE1 TYR B 92 8698 7452 8843 681 16 -648 B C +ATOM 735 CE2 TYR B 92 26.779 -36.200 16.248 1.00 61.50 B C +ANISOU 735 CE2 TYR B 92 7971 7042 8354 777 17 -589 B C +ATOM 736 CZ TYR B 92 26.598 -37.237 17.139 1.00 62.66 B C +ANISOU 736 CZ TYR B 92 8228 7101 8478 730 86 -603 B C +ATOM 737 OH TYR B 92 25.713 -37.207 18.161 1.00 75.96 B O +ANISOU 737 OH TYR B 92 9990 8713 10157 764 264 -554 B O +ATOM 738 N PHE B 93 29.723 -37.656 10.707 1.00 81.40 B N +ANISOU 738 N PHE B 93 10430 9659 10841 680 -270 -714 B N +ATOM 739 CA PHE B 93 30.498 -37.571 9.490 1.00 74.15 B C +ANISOU 739 CA PHE B 93 9571 8707 9894 729 -247 -710 B C +ATOM 740 C PHE B 93 30.836 -36.123 9.161 1.00 72.02 B C +ANISOU 740 C PHE B 93 9159 8530 9676 795 -316 -681 B C +ATOM 741 O PHE B 93 29.958 -35.263 9.119 1.00 57.38 B O +ANISOU 741 O PHE B 93 7213 6765 7824 763 -381 -687 B O +ATOM 742 CB PHE B 93 29.687 -38.097 8.310 1.00 82.98 B C +ANISOU 742 CB PHE B 93 10834 9802 10894 563 -268 -769 B C +ATOM 743 CG PHE B 93 29.358 -39.575 8.379 1.00 82.73 B C +ANISOU 743 CG PHE B 93 11062 9625 10746 425 -182 -814 B C +ATOM 744 CD1 PHE B 93 30.274 -40.539 7.975 1.00 81.62 B C +ANISOU 744 CD1 PHE B 93 11231 9267 10515 516 11 -811 B C +ATOM 745 CD2 PHE B 93 28.106 -39.980 8.795 1.00 82.47 B C +ANISOU 745 CD2 PHE B 93 10988 9662 10685 204 -260 -832 B C +ATOM 746 CE1 PHE B 93 29.952 -41.877 8.034 1.00 80.07 B C +ANISOU 746 CE1 PHE B 93 11374 8880 10168 383 131 -856 B C +ATOM 747 CE2 PHE B 93 27.780 -41.322 8.815 1.00 87.18 B C +ANISOU 747 CE2 PHE B 93 11878 10103 11143 15 -181 -880 B C +ATOM 748 CZ PHE B 93 28.707 -42.265 8.458 1.00 87.52 B C +ANISOU 748 CZ PHE B 93 12305 9886 11064 102 18 -908 B C +ATOM 749 N CYS B 94 32.108 -35.907 8.822 1.00 80.67 B N +ANISOU 749 N CYS B 94 10244 9600 10807 896 -268 -618 B N +ATOM 750 CA CYS B 94 32.591 -34.618 8.369 1.00 80.49 B C +ANISOU 750 CA CYS B 94 10134 9634 10813 923 -308 -589 B C +ATOM 751 C CYS B 94 32.356 -34.489 6.875 1.00 85.37 B C +ANISOU 751 C CYS B 94 10845 10226 11367 923 -275 -630 B C +ATOM 752 O CYS B 94 32.682 -35.401 6.126 1.00 88.10 B O +ANISOU 752 O CYS B 94 11346 10467 11659 947 -166 -631 B O +ATOM 753 CB CYS B 94 34.087 -34.465 8.581 1.00 80.67 B C +ANISOU 753 CB CYS B 94 10059 9679 10915 989 -277 -456 B C +ATOM 754 SG CYS B 94 34.600 -34.697 10.298 1.00100.51 B S +ANISOU 754 SG CYS B 94 12484 12244 13460 950 -374 -355 B S +ATOM 755 N LYS B 95 31.862 -33.312 6.480 1.00 94.09 B N +ANISOU 755 N LYS B 95 11904 11393 12451 911 -344 -646 B N +ATOM 756 CA LYS B 95 31.617 -32.955 5.099 1.00 87.91 B C +ANISOU 756 CA LYS B 95 11211 10603 11587 911 -348 -666 B C +ATOM 757 C LYS B 95 32.292 -31.598 4.835 1.00 88.36 B C +ANISOU 757 C LYS B 95 11235 10666 11674 978 -320 -630 B C +ATOM 758 O LYS B 95 32.400 -30.784 5.734 1.00 78.47 B O +ANISOU 758 O LYS B 95 9918 9437 10460 975 -342 -607 B O +ATOM 759 CB LYS B 95 30.091 -33.006 4.963 1.00 86.84 B C +ANISOU 759 CB LYS B 95 11035 10573 11387 821 -471 -675 B C +ATOM 760 CG LYS B 95 29.570 -32.937 3.521 1.00108.75 B C +ANISOU 760 CG LYS B 95 13921 13375 14025 751 -550 -671 B C +ATOM 761 CD LYS B 95 28.476 -31.901 3.197 1.00120.14 B C +ANISOU 761 CD LYS B 95 15209 14992 15448 784 -669 -576 B C +ATOM 762 CE LYS B 95 28.959 -30.454 3.149 1.00111.18 B C +ANISOU 762 CE LYS B 95 14062 13829 14350 971 -581 -545 B C +ATOM 763 NZ LYS B 95 27.930 -29.464 2.834 1.00104.74 B N1+ +ANISOU 763 NZ LYS B 95 13134 13156 13508 1077 -634 -413 B N1+ +ATOM 764 N ILE B 96 32.743 -31.341 3.602 1.00 91.46 B N +ANISOU 764 N ILE B 96 11733 11002 12014 1015 -256 -625 B N +ATOM 765 CA ILE B 96 33.428 -30.097 3.251 1.00 89.07 B C +ANISOU 765 CA ILE B 96 11430 10683 11728 1054 -205 -589 B C +ATOM 766 C ILE B 96 33.121 -29.740 1.798 1.00 79.98 B C +ANISOU 766 C ILE B 96 10445 9487 10457 1093 -182 -609 B C +ATOM 767 O ILE B 96 33.064 -30.643 0.957 1.00 77.67 B O +ANISOU 767 O ILE B 96 10310 9124 10077 1079 -148 -633 B O +ATOM 768 CB ILE B 96 34.958 -30.202 3.483 1.00101.48 B C +ANISOU 768 CB ILE B 96 12909 12234 13414 1060 -96 -493 B C +ATOM 769 CG1 ILE B 96 35.741 -28.936 3.127 1.00 90.00 B C +ANISOU 769 CG1 ILE B 96 11450 10770 11976 1028 -46 -438 B C +ATOM 770 CG2 ILE B 96 35.611 -31.369 2.747 1.00108.12 B C +ANISOU 770 CG2 ILE B 96 13821 12990 14271 1155 72 -441 B C +ATOM 771 CD1 ILE B 96 35.462 -27.756 4.018 1.00 83.21 B C +ANISOU 771 CD1 ILE B 96 10613 9928 11075 918 -143 -459 B C +ATOM 772 N GLU B 97 32.994 -28.425 1.502 1.00 72.87 B N +ANISOU 772 N GLU B 97 9579 8590 9519 1135 -180 -593 B N +ATOM 773 CA GLU B 97 33.112 -27.912 0.135 1.00 74.14 B C +ANISOU 773 CA GLU B 97 9917 8681 9570 1188 -122 -589 B C +ATOM 774 C GLU B 97 33.991 -26.660 0.076 1.00 70.07 B C +ANISOU 774 C GLU B 97 9439 8098 9085 1207 -2 -555 B C +ATOM 775 O GLU B 97 33.850 -25.781 0.896 1.00 74.27 B O +ANISOU 775 O GLU B 97 9946 8643 9630 1186 -18 -545 B O +ATOM 776 CB GLU B 97 31.779 -27.711 -0.592 1.00 70.03 B C +ANISOU 776 CB GLU B 97 9465 8239 8902 1214 -263 -574 B C +ATOM 777 CG GLU B 97 30.719 -26.987 0.211 1.00 76.85 B C +ANISOU 777 CG GLU B 97 10175 9232 9793 1285 -342 -507 B C +ATOM 778 CD GLU B 97 29.436 -26.818 -0.583 1.00 90.55 B C +ANISOU 778 CD GLU B 97 11883 11114 11407 1331 -493 -401 B C +ATOM 779 OE1 GLU B 97 28.846 -25.715 -0.477 1.00119.13 B O +ANISOU 779 OE1 GLU B 97 15463 14787 15015 1503 -453 -287 B O +ATOM 780 OE2 GLU B 97 29.017 -27.770 -1.281 1.00 76.75 B O1- +ANISOU 780 OE2 GLU B 97 10175 9426 9561 1187 -645 -404 B O1- +ATOM 781 N VAL B 98 34.887 -26.578 -0.909 1.00 72.02 B N +ANISOU 781 N VAL B 98 9800 8247 9319 1229 146 -532 B N +ATOM 782 CA VAL B 98 35.661 -25.378 -1.168 1.00 82.02 B C +ANISOU 782 CA VAL B 98 11130 9444 10591 1210 267 -491 B C +ATOM 783 C VAL B 98 35.123 -24.679 -2.423 1.00 83.24 B C +ANISOU 783 C VAL B 98 11541 9513 10572 1315 304 -512 B C +ATOM 784 O VAL B 98 34.869 -25.318 -3.434 1.00 89.83 B O +ANISOU 784 O VAL B 98 12527 10303 11303 1368 310 -529 B O +ATOM 785 CB VAL B 98 37.136 -25.807 -1.325 1.00 93.61 B C +ANISOU 785 CB VAL B 98 12478 10886 12201 1172 441 -389 B C +ATOM 786 CG1 VAL B 98 37.978 -24.723 -1.986 1.00102.94 B C +ANISOU 786 CG1 VAL B 98 13747 11986 13378 1133 604 -327 B C +ATOM 787 CG2 VAL B 98 37.753 -26.250 -0.006 1.00 92.01 B C +ANISOU 787 CG2 VAL B 98 11986 10809 12163 1058 371 -308 B C +ATOM 788 N MET B 99 34.993 -23.347 -2.404 1.00 80.99 B N +ANISOU 788 N MET B 99 11375 9178 10219 1334 345 -500 B N +ATOM 789 CA MET B 99 34.494 -22.616 -3.559 1.00 77.95 B C +ANISOU 789 CA MET B 99 11240 8716 9661 1466 387 -488 B C +ATOM 790 C MET B 99 35.562 -21.703 -4.163 1.00 86.28 B C +ANISOU 790 C MET B 99 12474 9611 10697 1428 604 -469 B C +ATOM 791 O MET B 99 35.641 -21.550 -5.386 1.00 97.40 B O +ANISOU 791 O MET B 99 14101 10920 11988 1515 697 -461 B O +ATOM 792 CB MET B 99 33.282 -21.775 -3.156 1.00 79.56 B C +ANISOU 792 CB MET B 99 11484 8973 9773 1597 310 -445 B C +ATOM 793 CG MET B 99 31.951 -22.519 -3.253 1.00 81.46 B C +ANISOU 793 CG MET B 99 11580 9398 9972 1681 97 -395 B C +ATOM 794 SD MET B 99 31.388 -22.778 -4.946 1.00 79.75 B S +ANISOU 794 SD MET B 99 11543 9211 9545 1738 -24 -342 B S +ATOM 795 CE MET B 99 31.423 -21.097 -5.588 1.00 84.05 B C +ANISOU 795 CE MET B 99 12359 9622 9955 1944 153 -261 B C +ATOM 796 N TYR B 100 36.357 -21.056 -3.303 1.00 88.02 B N +ANISOU 796 N TYR B 100 12635 9802 11005 1262 676 -451 B N +ATOM 797 CA TYR B 100 37.384 -20.129 -3.746 1.00 87.98 B C +ANISOU 797 CA TYR B 100 12775 9666 10988 1148 870 -410 B C +ATOM 798 C TYR B 100 38.619 -20.290 -2.869 1.00 86.92 B C +ANISOU 798 C TYR B 100 12378 9612 11037 869 876 -331 B C +ATOM 799 O TYR B 100 38.486 -20.431 -1.656 1.00 91.65 B O +ANISOU 799 O TYR B 100 12845 10300 11678 737 723 -338 B O +ATOM 800 CB TYR B 100 36.940 -18.669 -3.606 1.00 86.10 B C +ANISOU 800 CB TYR B 100 12862 9281 10571 1156 940 -429 B C +ATOM 801 CG TYR B 100 35.753 -18.233 -4.448 1.00 84.43 B C +ANISOU 801 CG TYR B 100 12893 9013 10171 1458 949 -428 B C +ATOM 802 CD1 TYR B 100 35.921 -17.737 -5.731 1.00 86.04 B C +ANISOU 802 CD1 TYR B 100 13352 9088 10250 1566 1090 -409 B C +ATOM 803 CD2 TYR B 100 34.463 -18.292 -3.940 1.00 88.00 B C +ANISOU 803 CD2 TYR B 100 13302 9562 10573 1640 821 -405 B C +ATOM 804 CE1 TYR B 100 34.833 -17.322 -6.487 1.00 94.11 B C +ANISOU 804 CE1 TYR B 100 14576 10096 11086 1839 1060 -361 B C +ATOM 805 CE2 TYR B 100 33.364 -17.884 -4.687 1.00 90.79 B C +ANISOU 805 CE2 TYR B 100 13792 9932 10772 1924 805 -322 B C +ATOM 806 CZ TYR B 100 33.550 -17.377 -5.959 1.00 91.24 B C +ANISOU 806 CZ TYR B 100 14103 9875 10689 2021 906 -296 B C +ATOM 807 OH TYR B 100 32.452 -16.976 -6.669 1.00 88.68 B O +ANISOU 807 OH TYR B 100 13888 9606 10202 2302 852 -169 B O +ATOM 808 N PRO B 101 39.846 -20.196 -3.430 1.00 93.24 B N +ANISOU 808 N PRO B 101 13092 10394 11938 759 1050 -218 B N +ATOM 809 CA PRO B 101 40.057 -20.092 -4.876 1.00100.66 B C +ANISOU 809 CA PRO B 101 14231 11196 12818 927 1276 -204 B C +ATOM 810 C PRO B 101 39.746 -21.411 -5.589 1.00 93.89 B C +ANISOU 810 C PRO B 101 13355 10345 11974 1168 1305 -218 B C +ATOM 811 O PRO B 101 39.833 -22.478 -4.988 1.00 95.44 B O +ANISOU 811 O PRO B 101 13297 10665 12301 1175 1226 -185 B O +ATOM 812 CB PRO B 101 41.533 -19.642 -4.991 1.00103.65 B C +ANISOU 812 CB PRO B 101 14453 11586 13343 699 1470 -32 B C +ATOM 813 CG PRO B 101 41.860 -19.145 -3.595 1.00102.61 B C +ANISOU 813 CG PRO B 101 14154 11577 13258 346 1275 10 B C +ATOM 814 CD PRO B 101 41.108 -20.106 -2.686 1.00 98.34 B C +ANISOU 814 CD PRO B 101 13444 11167 12755 445 1042 -60 B C +ATOM 815 N PRO B 102 39.328 -21.363 -6.872 1.00 83.13 B N +ANISOU 815 N PRO B 102 12330 8824 10431 1349 1413 -269 B N +ATOM 816 CA PRO B 102 38.915 -22.557 -7.598 1.00 82.50 B C +ANISOU 816 CA PRO B 102 12385 8695 10265 1509 1420 -304 B C +ATOM 817 C PRO B 102 40.004 -23.620 -7.699 1.00 88.35 B C +ANISOU 817 C PRO B 102 12972 9414 11182 1553 1668 -177 B C +ATOM 818 O PRO B 102 41.197 -23.314 -7.603 1.00 88.24 B O +ANISOU 818 O PRO B 102 12745 9421 11360 1499 1890 -15 B O +ATOM 819 CB PRO B 102 38.526 -22.028 -8.991 1.00 84.40 B C +ANISOU 819 CB PRO B 102 13077 8745 10247 1629 1512 -345 B C +ATOM 820 CG PRO B 102 38.266 -20.561 -8.800 1.00 82.17 B C +ANISOU 820 CG PRO B 102 12868 8452 9900 1591 1472 -359 B C +ATOM 821 CD PRO B 102 39.198 -20.148 -7.687 1.00 84.08 B C +ANISOU 821 CD PRO B 102 12792 8782 10373 1385 1526 -294 B C +ATOM 822 N PRO B 103 39.619 -24.880 -7.999 1.00 89.34 B N +ANISOU 822 N PRO B 103 13242 9479 11225 1658 1669 -215 B N +ATOM 823 CA PRO B 103 38.217 -25.227 -8.247 1.00 85.61 B C +ANISOU 823 CA PRO B 103 13020 9005 10504 1650 1383 -369 B C +ATOM 824 C PRO B 103 37.305 -25.540 -7.056 1.00 83.48 B C +ANISOU 824 C PRO B 103 12474 8951 10293 1558 1048 -434 B C +ATOM 825 O PRO B 103 37.761 -25.630 -5.909 1.00 81.10 B O +ANISOU 825 O PRO B 103 11815 8785 10214 1499 1023 -384 B O +ATOM 826 CB PRO B 103 38.420 -26.446 -9.168 1.00 88.30 B C +ANISOU 826 CB PRO B 103 13732 9123 10693 1741 1599 -364 B C +ATOM 827 CG PRO B 103 39.635 -27.136 -8.628 1.00 88.14 B C +ANISOU 827 CG PRO B 103 13437 9107 10944 1832 1899 -205 B C +ATOM 828 CD PRO B 103 40.534 -26.007 -8.206 1.00 90.01 B C +ANISOU 828 CD PRO B 103 13302 9475 11424 1787 1984 -77 B C +ATOM 829 N TYR B 104 35.998 -25.623 -7.376 1.00 76.90 B N +ANISOU 829 N TYR B 104 11811 8163 9247 1532 784 -514 B N +ATOM 830 CA TYR B 104 34.957 -26.141 -6.502 1.00 71.94 B C +ANISOU 830 CA TYR B 104 10979 7721 8633 1453 492 -553 B C +ATOM 831 C TYR B 104 35.223 -27.618 -6.262 1.00 72.07 B C +ANISOU 831 C TYR B 104 11015 7686 8683 1406 552 -573 B C +ATOM 832 O TYR B 104 35.344 -28.369 -7.220 1.00 78.76 B O +ANISOU 832 O TYR B 104 12237 8344 9344 1403 672 -592 B O +ATOM 833 CB TYR B 104 33.550 -26.050 -7.110 1.00 76.00 B C +ANISOU 833 CB TYR B 104 11645 8325 8905 1416 206 -560 B C +ATOM 834 CG TYR B 104 32.507 -26.895 -6.376 1.00 82.83 B C +ANISOU 834 CG TYR B 104 12312 9380 9780 1295 -64 -567 B C +ATOM 835 CD1 TYR B 104 32.103 -26.570 -5.087 1.00 88.11 B C +ANISOU 835 CD1 TYR B 104 12609 10227 10639 1320 -154 -541 B C +ATOM 836 CD2 TYR B 104 31.937 -28.033 -6.946 1.00 83.94 B C +ANISOU 836 CD2 TYR B 104 12682 9495 9715 1123 -211 -595 B C +ATOM 837 CE1 TYR B 104 31.181 -27.339 -4.395 1.00 80.03 B C +ANISOU 837 CE1 TYR B 104 11393 9371 9643 1216 -359 -531 B C +ATOM 838 CE2 TYR B 104 30.994 -28.798 -6.267 1.00 79.48 B C +ANISOU 838 CE2 TYR B 104 11925 9110 9162 966 -452 -588 B C +ATOM 839 CZ TYR B 104 30.613 -28.443 -4.989 1.00 73.64 B C +ANISOU 839 CZ TYR B 104 10756 8568 8655 1032 -517 -549 B C +ATOM 840 OH TYR B 104 29.710 -29.115 -4.239 1.00 71.74 B O +ANISOU 840 OH TYR B 104 10294 8506 8458 902 -710 -522 B O +ATOM 841 N LEU B 105 35.320 -28.026 -4.992 1.00 72.70 B N +ANISOU 841 N LEU B 105 10762 7897 8963 1374 495 -562 B N +ATOM 842 CA LEU B 105 35.560 -29.419 -4.624 1.00 77.01 B C +ANISOU 842 CA LEU B 105 11323 8390 9547 1360 572 -563 B C +ATOM 843 C LEU B 105 34.674 -29.793 -3.444 1.00 75.80 B C +ANISOU 843 C LEU B 105 10915 8423 9461 1258 314 -605 B C +ATOM 844 O LEU B 105 34.353 -28.948 -2.630 1.00 80.37 B O +ANISOU 844 O LEU B 105 11232 9158 10148 1246 178 -596 B O +ATOM 845 CB LEU B 105 37.017 -29.652 -4.210 1.00 79.94 B C +ANISOU 845 CB LEU B 105 11503 8721 10149 1480 867 -431 B C +ATOM 846 CG LEU B 105 38.109 -29.416 -5.256 1.00 79.40 B C +ANISOU 846 CG LEU B 105 11616 8473 10082 1618 1220 -325 B C +ATOM 847 CD1 LEU B 105 39.392 -29.441 -4.466 1.00 84.48 B C +ANISOU 847 CD1 LEU B 105 11844 9227 11027 1694 1402 -120 B C +ATOM 848 CD2 LEU B 105 38.107 -30.435 -6.392 1.00 83.38 B C +ANISOU 848 CD2 LEU B 105 12645 8686 10348 1702 1460 -347 B C +ATOM 849 N ASP B 106 34.343 -31.082 -3.320 1.00 83.32 B N +ANISOU 849 N ASP B 106 12000 9321 10339 1187 298 -643 B N +ATOM 850 CA ASP B 106 33.639 -31.654 -2.175 1.00 76.43 B C +ANISOU 850 CA ASP B 106 10910 8591 9541 1091 117 -671 B C +ATOM 851 C ASP B 106 34.472 -32.855 -1.717 1.00 83.49 B C +ANISOU 851 C ASP B 106 11851 9358 10512 1162 339 -634 B C +ATOM 852 O ASP B 106 35.423 -33.268 -2.390 1.00 81.28 B O +ANISOU 852 O ASP B 106 11792 8884 10207 1294 635 -572 B O +ATOM 853 CB ASP B 106 32.169 -31.926 -2.500 1.00 77.65 B C +ANISOU 853 CB ASP B 106 11165 8840 9500 896 -165 -720 B C +ATOM 854 CG ASP B 106 31.883 -33.033 -3.513 1.00 99.04 B C +ANISOU 854 CG ASP B 106 14348 11363 11920 722 -159 -773 B C +ATOM 855 OD1 ASP B 106 32.640 -33.201 -4.487 1.00129.87 B O +ANISOU 855 OD1 ASP B 106 18629 15025 15691 792 71 -781 B O +ATOM 856 OD2 ASP B 106 30.858 -33.725 -3.379 1.00107.00 B O1- +ANISOU 856 OD2 ASP B 106 15401 12451 12801 484 -379 -796 B O1- +ATOM 857 N ASN B 107 34.100 -33.447 -0.580 1.00 86.68 B N +ANISOU 857 N ASN B 107 12071 9860 11005 1107 236 -647 B N +ATOM 858 CA ASN B 107 34.888 -34.519 0.011 1.00 87.05 B C +ANISOU 858 CA ASN B 107 12124 9810 11140 1216 444 -576 B C +ATOM 859 C ASN B 107 34.383 -35.912 -0.382 1.00 87.32 B C +ANISOU 859 C ASN B 107 12588 9639 10952 1120 523 -648 B C +ATOM 860 O ASN B 107 33.207 -36.114 -0.632 1.00 84.28 B O +ANISOU 860 O ASN B 107 12354 9282 10387 878 298 -756 B O +ATOM 861 CB ASN B 107 34.871 -34.399 1.524 1.00 94.17 B C +ANISOU 861 CB ASN B 107 12646 10900 12235 1208 308 -540 B C +ATOM 862 CG ASN B 107 33.496 -34.612 2.117 1.00104.62 B C +ANISOU 862 CG ASN B 107 13942 12320 13491 1028 65 -650 B C +ATOM 863 ND2 ASN B 107 33.301 -35.770 2.722 1.00125.14 B N +ANISOU 863 ND2 ASN B 107 16622 14858 16069 992 102 -664 B N +ATOM 864 OD1 ASN B 107 32.616 -33.742 2.061 1.00105.19 B O +ANISOU 864 OD1 ASN B 107 13909 12522 13538 942 -127 -690 B O +ATOM 865 N GLU B 108 35.301 -36.885 -0.417 1.00 97.13 B N +ANISOU 865 N GLU B 108 14033 10674 12198 1306 861 -554 B N +ATOM 866 CA GLU B 108 34.983 -38.293 -0.625 1.00109.61 B C +ANISOU 866 CA GLU B 108 16108 11989 13548 1237 1017 -609 B C +ATOM 867 C GLU B 108 34.541 -38.857 0.725 1.00100.54 B C +ANISOU 867 C GLU B 108 14727 10968 12507 1171 878 -624 B C +ATOM 868 O GLU B 108 35.269 -38.759 1.710 1.00108.07 B O +ANISOU 868 O GLU B 108 15306 12052 13705 1371 935 -490 B O +ATOM 869 CB GLU B 108 36.177 -39.030 -1.256 1.00127.99 B C +ANISOU 869 CB GLU B 108 18804 14000 15826 1544 1528 -461 B C +ATOM 870 CG GLU B 108 35.929 -40.476 -1.710 1.00131.92 B C +ANISOU 870 CG GLU B 108 20032 14100 15993 1486 1795 -522 B C +ATOM 871 CD GLU B 108 36.714 -40.922 -2.955 1.00140.17 B C +ANISOU 871 CD GLU B 108 21707 14730 16821 1701 2296 -440 B C +ATOM 872 OE1 GLU B 108 37.061 -40.024 -3.776 1.00145.77 B O +ANISOU 872 OE1 GLU B 108 22368 15466 17553 1761 2322 -412 B O +ATOM 873 OE2 GLU B 108 37.004 -42.140 -3.131 1.00128.31 B O1- +ANISOU 873 OE2 GLU B 108 20796 12844 15113 1832 2708 -391 B O1- +ATOM 874 N LYS B 109 33.340 -39.435 0.737 1.00 89.88 B N +ANISOU 874 N LYS B 109 13606 9589 10955 859 681 -766 B N +ATOM 875 CA LYS B 109 32.698 -39.992 1.922 1.00 95.63 B C +ANISOU 875 CA LYS B 109 14172 10418 11745 740 545 -800 B C +ATOM 876 C LYS B 109 33.690 -40.525 2.968 1.00 99.85 B C +ANISOU 876 C LYS B 109 14552 10918 12470 1042 781 -664 B C +ATOM 877 O LYS B 109 34.381 -41.512 2.720 1.00116.77 B O +ANISOU 877 O LYS B 109 17060 12788 14518 1225 1131 -586 B O +ATOM 878 CB LYS B 109 31.749 -41.089 1.421 1.00100.06 B C +ANISOU 878 CB LYS B 109 15265 10777 11976 392 510 -919 B C +ATOM 879 CG LYS B 109 30.936 -41.810 2.485 1.00104.26 B C +ANISOU 879 CG LYS B 109 15721 11375 12520 196 390 -963 B C +ATOM 880 CD LYS B 109 29.870 -40.925 3.109 1.00111.61 B C +ANISOU 880 CD LYS B 109 16111 12681 13614 25 16 -968 B C +ATOM 881 CE LYS B 109 29.105 -41.602 4.204 1.00116.43 B C +ANISOU 881 CE LYS B 109 16624 13354 14261 -140 -54 -985 B C +ATOM 882 NZ LYS B 109 28.738 -42.972 3.827 1.00121.31 B N1+ +ANISOU 882 NZ LYS B 109 17813 13699 14580 -435 43 -1059 B N1+ +ATOM 883 N SER B 110 33.731 -39.905 4.164 1.00 92.61 B N +ANISOU 883 N SER B 110 13133 10261 11791 1096 601 -613 B N +ATOM 884 CA SER B 110 34.619 -40.364 5.232 1.00 83.37 B C +ANISOU 884 CA SER B 110 11782 9112 10784 1338 743 -453 B C +ATOM 885 C SER B 110 34.017 -41.577 5.935 1.00 79.96 B C +ANISOU 885 C SER B 110 11593 8547 10241 1251 792 -512 B C +ATOM 886 O SER B 110 32.831 -41.860 5.817 1.00 71.11 B O +ANISOU 886 O SER B 110 10655 7396 8969 950 646 -676 B O +ATOM 887 CB SER B 110 34.917 -39.308 6.256 1.00 82.84 B C +ANISOU 887 CB SER B 110 11207 9329 10939 1366 521 -377 B C +ATOM 888 OG SER B 110 33.803 -39.136 7.119 1.00 88.95 B O +ANISOU 888 OG SER B 110 11888 10209 11702 1160 283 -504 B O +ATOM 889 N ASN B 111 34.881 -42.303 6.653 1.00 80.84 B N +ANISOU 889 N ASN B 111 11691 8594 10431 1518 1006 -340 B N +ATOM 890 CA ASN B 111 34.483 -43.485 7.401 1.00 77.75 B C +ANISOU 890 CA ASN B 111 11557 8048 9937 1492 1107 -366 B C +ATOM 891 C ASN B 111 33.633 -43.064 8.596 1.00 82.01 B C +ANISOU 891 C ASN B 111 11790 8805 10564 1289 789 -459 B C +ATOM 892 O ASN B 111 32.830 -43.838 9.076 1.00 87.59 B O +ANISOU 892 O ASN B 111 12708 9410 11161 1124 791 -557 B O +ATOM 893 CB ASN B 111 35.674 -44.300 7.889 1.00 79.07 B C +ANISOU 893 CB ASN B 111 11755 8113 10174 1895 1429 -101 B C +ATOM 894 CG ASN B 111 36.500 -44.846 6.752 1.00 90.68 B C +ANISOU 894 CG ASN B 111 13594 9312 11548 2168 1860 36 B C +ATOM 895 ND2 ASN B 111 37.535 -45.612 7.070 1.00101.54 B N +ANISOU 895 ND2 ASN B 111 15006 10587 12987 2589 2218 332 B N +ATOM 896 OD1 ASN B 111 36.204 -44.576 5.581 1.00 93.70 B O +ANISOU 896 OD1 ASN B 111 14246 9567 11789 2022 1891 -99 B O +ATOM 897 N GLY B 112 33.797 -41.837 9.089 1.00 80.46 B N +ANISOU 897 N GLY B 112 11148 8878 10546 1290 550 -421 B N +ATOM 898 CA GLY B 112 32.982 -41.374 10.192 1.00 79.69 B C +ANISOU 898 CA GLY B 112 10848 8932 10500 1127 316 -498 B C +ATOM 899 C GLY B 112 33.726 -41.480 11.519 1.00 79.66 B C +ANISOU 899 C GLY B 112 10673 9003 10591 1285 294 -341 B C +ATOM 900 O GLY B 112 34.906 -41.811 11.559 1.00 96.44 B O +ANISOU 900 O GLY B 112 12737 11130 12777 1524 420 -133 B O +ATOM 901 N THR B 113 33.015 -41.163 12.603 1.00 71.73 B N +ANISOU 901 N THR B 113 9587 8073 9594 1153 135 -409 B N +ATOM 902 CA THR B 113 33.579 -41.220 13.935 1.00 73.77 B C +ANISOU 902 CA THR B 113 9752 8391 9886 1238 66 -277 B C +ATOM 903 C THR B 113 32.440 -41.525 14.897 1.00 73.06 B C +ANISOU 903 C THR B 113 9795 8235 9729 1096 43 -402 B C +ATOM 904 O THR B 113 31.398 -40.880 14.881 1.00 66.43 B O +ANISOU 904 O THR B 113 8916 7435 8888 932 -28 -530 B O +ATOM 905 CB THR B 113 34.320 -39.932 14.281 1.00 78.05 B C +ANISOU 905 CB THR B 113 10024 9126 10504 1214 -143 -172 B C +ATOM 906 CG2 THR B 113 33.441 -38.717 14.072 1.00 98.49 B C +ANISOU 906 CG2 THR B 113 12579 11760 13082 1035 -261 -335 B C +ATOM 907 OG1 THR B 113 34.666 -39.939 15.665 1.00 74.63 B O +ANISOU 907 OG1 THR B 113 9569 8747 10041 1201 -273 -62 B O +ATOM 908 N ILE B 114 32.646 -42.576 15.694 1.00 77.45 B N +ANISOU 908 N ILE B 114 10511 8684 10232 1191 147 -331 B N +ATOM 909 CA ILE B 114 31.674 -42.999 16.673 1.00 75.61 B C +ANISOU 909 CA ILE B 114 10432 8363 9932 1076 171 -424 B C +ATOM 910 C ILE B 114 31.909 -42.163 17.905 1.00 77.89 B C +ANISOU 910 C ILE B 114 10626 8748 10221 1065 -4 -360 B C +ATOM 911 O ILE B 114 32.970 -42.256 18.495 1.00 72.11 B O +ANISOU 911 O ILE B 114 9850 8072 9478 1186 -86 -181 B O +ATOM 912 CB ILE B 114 31.808 -44.479 17.031 1.00 80.71 B C +ANISOU 912 CB ILE B 114 11364 8815 10488 1182 379 -377 B C +ATOM 913 CG1 ILE B 114 31.702 -45.363 15.796 1.00 95.20 B C +ANISOU 913 CG1 ILE B 114 13440 10481 12250 1172 591 -434 B C +ATOM 914 CG2 ILE B 114 30.790 -44.861 18.101 1.00 81.80 B C +ANISOU 914 CG2 ILE B 114 11659 8861 10560 1044 414 -468 B C +ATOM 915 CD1 ILE B 114 30.421 -45.181 15.005 1.00 95.92 B C +ANISOU 915 CD1 ILE B 114 13572 10571 12302 850 546 -629 B C +ATOM 916 N ILE B 115 30.886 -41.406 18.299 1.00 77.50 B N +ANISOU 916 N ILE B 115 10577 8706 10164 917 -43 -476 B N +ATOM 917 CA ILE B 115 30.940 -40.695 19.551 1.00 73.45 B C +ANISOU 917 CA ILE B 115 10139 8191 9579 881 -145 -440 B C +ATOM 918 C ILE B 115 30.127 -41.459 20.589 1.00 77.27 B C +ANISOU 918 C ILE B 115 10850 8522 9988 859 -4 -482 B C +ATOM 919 O ILE B 115 28.927 -41.648 20.417 1.00 76.34 B O +ANISOU 919 O ILE B 115 10741 8359 9907 780 144 -578 B O +ATOM 920 CB ILE B 115 30.423 -39.272 19.343 1.00 75.47 B C +ANISOU 920 CB ILE B 115 10325 8499 9850 793 -196 -505 B C +ATOM 921 CG1 ILE B 115 31.307 -38.514 18.346 1.00 80.65 B C +ANISOU 921 CG1 ILE B 115 10788 9290 10566 801 -329 -461 B C +ATOM 922 CG2 ILE B 115 30.318 -38.570 20.693 1.00 82.06 B C +ANISOU 922 CG2 ILE B 115 11395 9240 10544 735 -231 -488 B C +ATOM 923 CD1 ILE B 115 30.850 -37.091 18.047 1.00 84.61 B C +ANISOU 923 CD1 ILE B 115 11271 9816 11063 738 -350 -517 B C +ATOM 924 N HIS B 116 30.796 -41.908 21.660 1.00 80.24 B N +ANISOU 924 N HIS B 116 11389 8840 10257 920 -58 -376 B N +ATOM 925 CA HIS B 116 30.117 -42.485 22.814 1.00 70.97 B C +ANISOU 925 CA HIS B 116 10486 7499 8980 903 73 -406 B C +ATOM 926 C HIS B 116 29.920 -41.379 23.850 1.00 73.90 B C +ANISOU 926 C HIS B 116 11034 7817 9226 817 -1 -411 B C +ATOM 927 O HIS B 116 30.878 -40.983 24.499 1.00 74.93 B O +ANISOU 927 O HIS B 116 11261 7983 9228 786 -218 -299 B O +ATOM 928 CB HIS B 116 30.895 -43.681 23.392 1.00 63.40 B C +ANISOU 928 CB HIS B 116 9675 6474 7938 1039 84 -275 B C +ATOM 929 CG HIS B 116 30.235 -44.376 24.540 1.00 64.89 B C +ANISOU 929 CG HIS B 116 10181 6466 8007 1029 239 -307 B C +ATOM 930 CD2 HIS B 116 28.934 -44.400 24.922 1.00 69.74 B C +ANISOU 930 CD2 HIS B 116 10931 6948 8619 921 444 -437 B C +ATOM 931 ND1 HIS B 116 30.896 -45.178 25.446 1.00 69.55 B N +ANISOU 931 ND1 HIS B 116 10977 6981 8466 1152 218 -165 B N +ATOM 932 CE1 HIS B 116 30.011 -45.660 26.332 1.00 73.17 B C +ANISOU 932 CE1 HIS B 116 11734 7236 8829 1106 409 -245 B C +ATOM 933 NE2 HIS B 116 28.819 -45.177 26.057 1.00 70.61 B N +ANISOU 933 NE2 HIS B 116 11360 6879 8591 963 556 -403 B N +ATOM 934 N VAL B 117 28.675 -40.936 24.064 1.00 72.54 B N +ANISOU 934 N VAL B 117 10942 7550 9070 771 198 -506 B N +ATOM 935 CA VAL B 117 28.406 -39.979 25.136 1.00 74.74 B C +ANISOU 935 CA VAL B 117 11529 7685 9183 730 236 -503 B C +ATOM 936 C VAL B 117 28.083 -40.689 26.462 1.00 85.22 B C +ANISOU 936 C VAL B 117 13220 8802 10356 743 376 -488 B C +ATOM 937 O VAL B 117 27.027 -41.320 26.548 1.00105.87 B O +ANISOU 937 O VAL B 117 15827 11340 13059 776 647 -527 B O +ATOM 938 CB VAL B 117 27.239 -39.079 24.688 1.00 74.57 B C +ANISOU 938 CB VAL B 117 11408 7658 9265 755 455 -549 B C +ATOM 939 CG1 VAL B 117 27.116 -37.863 25.584 1.00 80.35 B C +ANISOU 939 CG1 VAL B 117 12530 8202 9798 746 537 -535 B C +ATOM 940 CG2 VAL B 117 27.389 -38.639 23.238 1.00 76.02 B C +ANISOU 940 CG2 VAL B 117 11214 8054 9618 755 343 -566 B C +ATOM 941 N LYS B 118 28.922 -40.531 27.509 1.00 89.47 B N +ANISOU 941 N LYS B 118 14091 9254 10651 685 189 -414 B N +ATOM 942 CA LYS B 118 28.832 -41.313 28.754 1.00 91.81 B C +ANISOU 942 CA LYS B 118 14762 9356 10764 703 270 -379 B C +ATOM 943 C LYS B 118 28.058 -40.640 29.908 1.00 89.59 B C +ANISOU 943 C LYS B 118 14987 8785 10266 663 495 -418 B C +ATOM 944 O LYS B 118 27.901 -39.384 29.849 1.00 95.36 B O +ANISOU 944 O LYS B 118 15850 9459 10924 604 520 -445 B O +ATOM 945 CB LYS B 118 30.240 -41.582 29.298 1.00 91.75 B C +ANISOU 945 CB LYS B 118 14846 9439 10575 653 -100 -219 B C +ATOM 946 CG LYS B 118 30.982 -42.640 28.517 1.00101.27 B C +ANISOU 946 CG LYS B 118 15675 10846 11955 796 -194 -114 B C +ATOM 947 CD LYS B 118 30.829 -44.068 29.066 1.00112.11 B C +ANISOU 947 CD LYS B 118 17220 12088 13289 944 -22 -70 B C +ATOM 948 CE LYS B 118 31.688 -44.397 30.254 1.00114.21 B C +ANISOU 948 CE LYS B 118 17759 12332 13302 954 -245 128 B C +ATOM 949 NZ LYS B 118 33.095 -44.387 29.847 1.00114.70 B N1+ +ANISOU 949 NZ LYS B 118 17483 12693 13405 1005 -586 383 B N1+ +TER +HETATM 950 C1 NAG C 1 16.898 -38.892 24.556 1.00125.19 C C +ANISOU 950 C1 NAG C 1 15908 14690 16969 1202 2730 636 C C +HETATM 951 C2 NAG C 1 16.682 -38.220 25.921 1.00139.03 C C +ANISOU 951 C2 NAG C 1 18141 16082 18602 1534 3216 721 C C +HETATM 952 N2 NAG C 1 16.063 -39.079 26.919 1.00167.91 C N +ANISOU 952 N2 NAG C 1 21916 19604 22280 1486 3522 793 C N +HETATM 953 C3 NAG C 1 15.953 -36.867 25.827 1.00119.23 C C +ANISOU 953 C3 NAG C 1 15494 13612 16196 1925 3586 1023 C C +HETATM 954 O3 NAG C 1 16.896 -35.810 25.870 1.00115.39 C O +ANISOU 954 O3 NAG C 1 15502 12875 15467 2075 3513 854 C O +HETATM 955 C4 NAG C 1 15.102 -36.784 24.569 1.00115.58 C C +ANISOU 955 C4 NAG C 1 14220 13654 16043 1883 3463 1304 C C +HETATM 956 O4 NAG C 1 14.022 -35.887 24.786 1.00106.51 C O +ANISOU 956 O4 NAG C 1 12836 12572 15063 2292 3971 1727 C O +HETATM 957 C5 NAG C 1 14.601 -38.192 24.276 1.00128.67 C C +ANISOU 957 C5 NAG C 1 15451 15583 17855 1469 3261 1328 C C +HETATM 958 O5 NAG C 1 15.728 -38.898 23.725 1.00124.45 C O +ANISOU 958 O5 NAG C 1 15123 15007 17154 1136 2759 948 C O +HETATM 959 C6 NAG C 1 13.450 -38.290 23.289 1.00132.20 C C +ANISOU 959 C6 NAG C 1 15064 16559 18607 1341 3186 1708 C C +HETATM 960 O6 NAG C 1 12.226 -38.797 23.903 1.00125.21 C O +ANISOU 960 O6 NAG C 1 13822 15815 17936 1320 3554 2059 C O +HETATM 961 C7 NAG C 1 15.916 -40.408 26.841 1.00163.05 C C +ANISOU 961 C7 NAG C 1 21140 19090 21723 1155 3372 724 C C +HETATM 962 O7 NAG C 1 16.854 -41.161 26.577 1.00166.76 C O +ANISOU 962 O7 NAG C 1 21803 19508 22050 917 3001 448 C O +HETATM 963 C8 NAG C 1 14.531 -40.912 27.107 1.00134.17 C C +ANISOU 963 C8 NAG C 1 17066 15604 18308 1102 3725 1041 C C +HETATM 964 C1 NAG D 1 33.607 -12.731 5.927 1.00109.72 D C +ANISOU 964 C1 NAG D 1 19062 10598 12027 648 1790 -524 D C +HETATM 965 C2 NAG D 1 33.276 -12.249 7.352 1.00131.39 D C +ANISOU 965 C2 NAG D 1 22471 12986 14465 535 1989 -542 D C +HETATM 966 N2 NAG D 1 32.575 -13.358 7.984 1.00141.15 D N +ANISOU 966 N2 NAG D 1 23240 14468 15921 760 1863 -505 D N +HETATM 967 C3 NAG D 1 32.559 -10.899 7.398 1.00129.14 D C +ANISOU 967 C3 NAG D 1 23031 12209 13827 856 2526 -471 D C +HETATM 968 O3 NAG D 1 32.613 -10.416 8.730 1.00128.09 D O +ANISOU 968 O3 NAG D 1 23664 11671 13333 573 2693 -526 D O +HETATM 969 C4 NAG D 1 33.229 -9.928 6.439 1.00128.11 D C +ANISOU 969 C4 NAG D 1 23235 11900 13542 692 2634 -501 D C +HETATM 970 O4 NAG D 1 32.655 -8.625 6.561 1.00122.98 D O +ANISOU 970 O4 NAG D 1 23494 10725 12509 961 3174 -434 D O +HETATM 971 C5 NAG D 1 33.078 -10.532 5.041 1.00117.91 D C +ANISOU 971 C5 NAG D 1 21162 11025 12614 1029 2465 -436 D C +HETATM 972 O5 NAG D 1 33.897 -11.720 4.952 1.00 98.08 D O +ANISOU 972 O5 NAG D 1 17924 8932 10410 675 1991 -513 D O +HETATM 973 C6 NAG D 1 33.519 -9.599 3.942 1.00119.46 D C +ANISOU 973 C6 NAG D 1 21655 11052 12681 1017 2632 -434 D C +HETATM 974 O6 NAG D 1 33.543 -10.273 2.696 1.00116.89 D O +ANISOU 974 O6 NAG D 1 20637 11108 12666 1227 2422 -396 D O +HETATM 975 C7 NAG D 1 32.191 -13.539 9.258 1.00136.01 D C +ANISOU 975 C7 NAG D 1 22869 13666 15142 720 1934 -512 D C +HETATM 976 O7 NAG D 1 31.103 -14.039 9.511 1.00139.07 D O +ANISOU 976 O7 NAG D 1 23018 14151 15672 1170 2069 -410 D O +HETATM 977 C8 NAG D 1 33.136 -13.173 10.363 1.00132.48 D C +ANISOU 977 C8 NAG D 1 23010 12954 14372 71 1814 -624 D C +HETATM 978 C1 NAG E 1 49.778 -27.111 6.719 1.00165.97 E C +ANISOU 978 C1 NAG E 1 16868 22959 23232 -845 -666 3200 E C +HETATM 979 C2 NAG E 1 51.119 -26.477 7.072 1.00165.22 E C +ANISOU 979 C2 NAG E 1 16176 23327 23273 -1366 -935 3735 E C +HETATM 980 N2 NAG E 1 51.146 -25.025 7.011 1.00177.07 E N +ANISOU 980 N2 NAG E 1 17983 24738 24556 -1993 -1138 3556 E N +HETATM 981 C3 NAG E 1 52.223 -27.062 6.198 1.00164.40 E C +ANISOU 981 C3 NAG E 1 15400 23490 23574 -966 -527 4289 E C +HETATM 982 O3 NAG E 1 53.489 -26.559 6.600 1.00150.34 E O +ANISOU 982 O3 NAG E 1 12938 22227 21957 -1467 -812 4876 E O +HETATM 983 C4 NAG E 1 52.221 -28.580 6.264 1.00173.41 E C +ANISOU 983 C4 NAG E 1 16315 24668 24904 -285 -249 4497 E C +HETATM 984 O4 NAG E 1 53.187 -29.050 5.330 1.00195.16 E O +ANISOU 984 O4 NAG E 1 18559 27583 28011 156 250 5000 E O +HETATM 985 C5 NAG E 1 50.849 -29.150 5.919 1.00166.62 E C +ANISOU 985 C5 NAG E 1 16185 23285 23838 139 -12 3887 E C +HETATM 986 O5 NAG E 1 49.841 -28.542 6.751 1.00177.02 E O +ANISOU 986 O5 NAG E 1 18020 24420 24818 -275 -436 3399 E O +HETATM 987 C6 NAG E 1 50.759 -30.649 6.170 1.00150.86 E C +ANISOU 987 C6 NAG E 1 14091 21279 21951 716 212 4046 E C +HETATM 988 O6 NAG E 1 49.924 -31.316 5.210 1.00124.07 E O +ANISOU 988 O6 NAG E 1 11239 17423 18478 1225 677 3678 E O +HETATM 989 C7 NAG E 1 50.400 -24.221 6.232 1.00162.20 E C +ANISOU 989 C7 NAG E 1 16700 22439 22488 -1983 -928 3096 E C +HETATM 990 O7 NAG E 1 49.621 -23.391 6.703 1.00147.29 E O +ANISOU 990 O7 NAG E 1 15423 20281 20258 -2323 -1137 2696 E O +HETATM 991 C8 NAG E 1 50.639 -24.329 4.757 1.00140.26 E C +ANISOU 991 C8 NAG E 1 13824 19540 19926 -1541 -402 3147 E C +HETATM 992 C1 NAG F 1 38.446 -46.151 6.083 1.00113.99 F C +ANISOU 992 C1 NAG F 1 16924 11888 14498 2958 2733 543 F C +HETATM 993 C2 NAG F 1 39.785 -45.486 6.381 1.00122.68 F C +ANISOU 993 C2 NAG F 1 17347 13326 15941 3321 2763 942 F C +HETATM 994 N2 NAG F 1 39.728 -44.047 6.264 1.00125.14 F N +ANISOU 994 N2 NAG F 1 17154 13976 16418 3066 2351 854 F N +HETATM 995 C3 NAG F 1 40.855 -46.108 5.502 1.00133.25 F C +ANISOU 995 C3 NAG F 1 18954 14406 17270 3817 3386 1269 F C +HETATM 996 O3 NAG F 1 42.102 -45.452 5.670 1.00146.14 F O +ANISOU 996 O3 NAG F 1 19886 16398 19243 4120 3411 1693 F O +HETATM 997 C4 NAG F 1 40.967 -47.571 5.899 1.00137.06 F C +ANISOU 997 C4 NAG F 1 19931 14554 17592 4131 3821 1412 F C +HETATM 998 O4 NAG F 1 41.972 -48.234 5.137 1.00145.44 F O +ANISOU 998 O4 NAG F 1 21305 15324 18630 4678 4503 1768 F O +HETATM 999 C5 NAG F 1 39.632 -48.281 5.685 1.00126.26 F C +ANISOU 999 C5 NAG F 1 19339 12797 15835 3719 3783 967 F C +HETATM 1000 O5 NAG F 1 38.492 -47.571 6.216 1.00112.39 F O +ANISOU 1000 O5 NAG F 1 17310 11303 14089 3168 3160 614 F O +HETATM 1001 C6 NAG F 1 39.631 -49.609 6.403 1.00131.91 F C +ANISOU 1001 C6 NAG F 1 20473 13241 16408 3944 4102 1075 F C +HETATM 1002 O6 NAG F 1 39.849 -49.420 7.808 1.00132.15 F O +ANISOU 1002 O6 NAG F 1 19849 13666 16694 4023 3786 1245 F O +HETATM 1003 C7 NAG F 1 40.363 -43.191 7.068 1.00126.96 F C +ANISOU 1003 C7 NAG F 1 16711 14615 16915 3073 2061 1060 F C +HETATM 1004 O7 NAG F 1 40.801 -42.141 6.621 1.00109.11 F O +ANISOU 1004 O7 NAG F 1 14120 12549 14789 3010 1942 1118 F O +HETATM 1005 C8 NAG F 1 40.502 -43.564 8.519 1.00124.23 F C +ANISOU 1005 C8 NAG F 1 16094 14455 16652 3119 1880 1213 F C +HETATM 1006 C1 NAG G 1 37.496 -29.746 23.883 1.00137.62 G C +ANISOU 1006 C1 NAG G 1 19994 16404 15890 -1804 -2332 198 G C +HETATM 1007 C2 NAG G 1 37.540 -30.296 25.314 1.00150.63 G C +ANISOU 1007 C2 NAG G 1 22000 17969 17263 -1961 -2515 277 G C +HETATM 1008 N2 NAG G 1 37.367 -29.313 26.382 1.00159.81 G N +ANISOU 1008 N2 NAG G 1 24035 18771 17914 -2382 -2574 192 G N +HETATM 1009 C3 NAG G 1 38.848 -31.067 25.467 1.00171.01 G C +ANISOU 1009 C3 NAG G 1 24023 20999 19954 -2110 -2964 632 G C +HETATM 1010 O3 NAG G 1 38.604 -32.391 25.008 1.00131.30 G O +ANISOU 1010 O3 NAG G 1 18476 16121 15292 -1592 -2764 667 G O +HETATM 1011 C4 NAG G 1 39.998 -30.422 24.686 1.00189.01 G C +ANISOU 1011 C4 NAG G 1 25877 23600 22337 -2410 -3243 844 G C +HETATM 1012 O4 NAG G 1 41.246 -30.686 25.401 1.00219.38 G O +ANISOU 1012 O4 NAG G 1 29484 27805 26064 -2800 -3774 1241 G O +HETATM 1013 C5 NAG G 1 39.724 -28.926 24.456 1.00154.74 G C +ANISOU 1013 C5 NAG G 1 22083 18969 17742 -2738 -3153 637 G C +HETATM 1014 O5 NAG G 1 38.517 -28.761 23.681 1.00136.54 G O +ANISOU 1014 O5 NAG G 1 19881 16390 15607 -2279 -2636 330 G O +HETATM 1015 C6 NAG G 1 40.806 -28.190 23.684 1.00136.35 G C +ANISOU 1015 C6 NAG G 1 19399 16918 15490 -3086 -3401 826 G C +HETATM 1016 O6 NAG G 1 40.402 -26.876 23.294 1.00115.42 G O +ANISOU 1016 O6 NAG G 1 17271 13944 12639 -3278 -3205 594 G O +HETATM 1017 C7 NAG G 1 37.329 -29.466 27.736 1.00147.23 G C +ANISOU 1017 C7 NAG G 1 23015 16986 15941 -2618 -2716 222 G C +HETATM 1018 O7 NAG G 1 37.238 -30.559 28.291 1.00136.95 G O +ANISOU 1018 O7 NAG G 1 21553 15770 14712 -2419 -2754 300 G O +HETATM 1019 C8 NAG G 1 37.370 -28.206 28.553 1.00122.67 G C +ANISOU 1019 C8 NAG G 1 20863 13488 12257 -3153 -2791 146 G C +HETATM 1020 C1 NAG G 2 41.836 -31.956 25.291 1.00204.99 G C +ANISOU 1020 C1 NAG G 2 26982 26354 24550 -2469 -3859 1550 G C +HETATM 1021 C2 NAG G 2 42.750 -31.955 24.066 1.00211.90 G C +ANISOU 1021 C2 NAG G 2 27090 27615 25807 -2365 -3876 1804 G C +HETATM 1022 N2 NAG G 2 41.999 -31.655 22.850 1.00224.35 G N +ANISOU 1022 N2 NAG G 2 28660 28978 27606 -2033 -3424 1480 G N +HETATM 1023 C3 NAG G 2 43.472 -33.300 23.943 1.00191.42 G C +ANISOU 1023 C3 NAG G 2 23796 25403 23533 -1964 -3906 2203 G C +HETATM 1024 O3 NAG G 2 44.475 -33.157 22.953 1.00230.22 G O +ANISOU 1024 O3 NAG G 2 28036 30686 28750 -1940 -3946 2519 G O +HETATM 1025 C4 NAG G 2 44.122 -33.781 25.236 1.00170.91 G C +ANISOU 1025 C4 NAG G 2 21188 23035 20715 -2205 -4352 2566 G C +HETATM 1026 O4 NAG G 2 44.472 -35.158 25.135 1.00138.52 G O +ANISOU 1026 O4 NAG G 2 16567 19164 16902 -1667 -4221 2869 G O +HETATM 1027 C5 NAG G 2 43.169 -33.665 26.415 1.00176.72 G C +ANISOU 1027 C5 NAG G 2 22758 23352 21035 -2375 -4363 2245 G C +HETATM 1028 O5 NAG G 2 42.582 -32.339 26.453 1.00196.65 G O +ANISOU 1028 O5 NAG G 2 25939 25516 23262 -2777 -4320 1885 G O +HETATM 1029 C6 NAG G 2 43.889 -33.919 27.737 1.00181.77 G C +ANISOU 1029 C6 NAG G 2 23489 24212 21364 -2751 -4894 2612 G C +HETATM 1030 O6 NAG G 2 45.287 -34.283 27.591 1.00180.15 G O +ANISOU 1030 O6 NAG G 2 22468 24616 21364 -2825 -5278 3226 G O +HETATM 1031 C7 NAG G 2 42.272 -30.780 21.854 1.00197.90 G C +ANISOU 1031 C7 NAG G 2 25166 25667 24359 -2153 -3361 1442 G C +HETATM 1032 O7 NAG G 2 41.478 -30.594 20.926 1.00143.15 G O +ANISOU 1032 O7 NAG G 2 18303 18519 17569 -1844 -2979 1153 G O +HETATM 1033 C8 NAG G 2 43.575 -30.032 21.924 1.00174.73 G C +ANISOU 1033 C8 NAG G 2 21979 23066 21345 -2712 -3794 1793 G C +CONECT 146 1006 +CONECT 416 964 +CONECT 580 978 +CONECT 692 950 +CONECT 895 992 +CONECT 950 692 951 958 +CONECT 951 950 952 953 +CONECT 952 951 961 +CONECT 953 951 954 955 +CONECT 954 953 +CONECT 955 953 956 957 +CONECT 956 955 +CONECT 957 955 958 959 +CONECT 958 950 957 +CONECT 959 957 960 +CONECT 960 959 +CONECT 961 952 962 963 +CONECT 962 961 +CONECT 963 961 +CONECT 964 416 965 972 +CONECT 965 964 966 967 +CONECT 966 965 975 +CONECT 967 965 968 969 +CONECT 968 967 +CONECT 969 967 970 971 +CONECT 970 969 +CONECT 971 969 972 973 +CONECT 972 964 971 +CONECT 973 971 974 +CONECT 974 973 +CONECT 975 966 976 977 +CONECT 976 975 +CONECT 977 975 +CONECT 978 580 979 986 +CONECT 979 978 980 981 +CONECT 980 979 989 +CONECT 981 979 982 983 +CONECT 982 981 +CONECT 983 981 984 985 +CONECT 984 983 +CONECT 985 983 986 987 +CONECT 986 978 985 +CONECT 987 985 988 +CONECT 988 987 +CONECT 989 980 990 991 +CONECT 990 989 +CONECT 991 989 +CONECT 992 895 993 1000 +CONECT 993 992 994 995 +CONECT 994 993 1003 +CONECT 995 993 996 997 +CONECT 996 995 +CONECT 997 995 998 999 +CONECT 998 997 +CONECT 999 997 1000 1001 +CONECT 1000 992 999 +CONECT 1001 999 1002 +CONECT 1002 1001 +CONECT 1003 994 1004 1005 +CONECT 1004 1003 +CONECT 1005 1003 +CONECT 1006 146 1007 1014 +CONECT 1007 1006 1008 1009 +CONECT 1008 1007 1017 +CONECT 1009 1007 1010 1011 +CONECT 1010 1009 +CONECT 1011 1009 1012 1013 +CONECT 1012 1011 1020 +CONECT 1013 1011 1014 1015 +CONECT 1014 1006 1013 +CONECT 1015 1013 1016 +CONECT 1016 1015 +CONECT 1017 1008 1018 1019 +CONECT 1018 1017 +CONECT 1019 1017 +CONECT 1020 1012 1021 1028 +CONECT 1021 1020 1022 1023 +CONECT 1022 1021 1031 +CONECT 1023 1021 1024 1025 +CONECT 1024 1023 +CONECT 1025 1023 1026 1027 +CONECT 1026 1025 +CONECT 1027 1025 1028 1029 +CONECT 1028 1020 1027 +CONECT 1029 1027 1030 +CONECT 1030 1029 +CONECT 1031 1022 1032 1033 +CONECT 1032 1031 +CONECT 1033 1031 +END diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_denoised_model_0.cif.gz b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_denoised_model_0.cif.gz new file mode 100644 index 00000000..c6c0519b Binary files /dev/null and b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_denoised_model_0.cif.gz differ diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_model_0.cif.gz b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_model_0.cif.gz new file mode 100644 index 00000000..1b0927e1 Binary files /dev/null and b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_model_0.cif.gz differ diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_model_0.json b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_model_0.json new file mode 100644 index 00000000..c82e3e76 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/CD28/example_outputs/cd28_test_0_model_0.json @@ -0,0 +1,186 @@ +{ + 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a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.json b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.json new file mode 100644 index 00000000..68d27155 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.json @@ -0,0 +1,26 @@ +{ + "test": { + "input": "./pdf1_sm.pdb", + "contig": "55-88,/0,B1-167,C1-1", + "length": "222-255", + "redesign_motif_sidechains": false, + "infer_ori_strategy": "hotspots", + "is_non_loopy": true, + "select_hotspots": + {"B64": "OE1,OE2,CD,CB,CG", + "B126": "CB,CD1,CD2,CG", + "B87": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B98": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B88": "CB,CG,OE1,NE2", + "B42": "CB,CD,CG,N", + "B44": "CB,CD1,CG1,CG2", + "C1": "C15,C16,C17,C18,O20,N21,C22,C23,C24,C25,O27"}, + "select_hbond_donor": + {"B87": "OH", + "B98": "OH", + "B64": "OE1,OE2", + "B42": "N", + "C1": "O20,N21,O27"} + } +} + diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.sh b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.sh new file mode 100644 index 00000000..56a45412 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.sh @@ -0,0 +1,18 @@ +#!/bin/bash +#SBATCH --partition= +#SBATCH --nodes=1 +#SBATCH --ntasks=1 +#SBATCH --cpus-per-task=6 +#SBATCH --gres=gpu:1 +#SBATCH --mem 32gb +#SBATCH --time 00:59:00 +#SBATCH --job-name="rfd3" + +# Run RFdiffusion3 +rfd3 design \ + out_dir="./pdf1_sm_binder_outputs" \ + inputs="./pdf1.yaml" \ + n_batches=1 \ + diffusion_batch_size=8 \ + dump_trajectories=1 # OPTIONAL, FOR VISUALIZATION PURPOSES + diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.yaml b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.yaml new file mode 100644 index 00000000..03aa5ea7 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1.yaml @@ -0,0 +1,22 @@ +test: + input: ./pdf1_sm.pdb + contig: 55-88,/0,B1-167,C1-1 + redesign_motif_sidechains: false + #infer_ori_strategy: hotspots + is_non_loopy: true + select_hotspots: + { + "B64": "OE1,OE2,CD,CB,CG", + "B126": "CB,CD1,CD2,CG", + "B87": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B98": "CD1,CD2,CE1,CE2,CB,CZ,OH", + "B88": "CB,CG,OE1,NE2", + "B42": "CB,CD,CG,N", + "B44": "CB,CD1,CG1,CG2", + "C1": "C15,C16,C17,C18,O20,N21,C22,C23,C24,C25,O27"} + select_hbond_donor: + {"B87": "OH", + "B98": "OH", + "B64": "OE1,OE2", + "B42": "N", + "C1": "O20,N21,O27"} diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1_sm.pdb b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1_sm.pdb new file mode 100644 index 00000000..48d284c6 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDF1/pdf1_sm.pdb @@ -0,0 +1,4183 @@ +CRYST1 49.440 75.010 83.160 90.00 90.00 90.00 P 21 21 21 4 +ATOM 1 N ALA B 1 6.092 -2.181 30.332 1.00 55.99 B N +ANISOU 1 N ALA B 1 6484 6524 8264 -2098 -1423 14 B N +ATOM 2 CA ALA B 1 7.367 -2.871 30.134 1.00 52.28 B C +ANISOU 2 CA ALA B 1 5840 6114 7911 -1996 -1452 -25 B C +ATOM 3 C ALA B 1 7.181 -4.063 29.189 1.00 50.40 B C +ANISOU 3 C ALA B 1 5684 5873 7594 -1852 -1396 19 B C +ATOM 4 O ALA B 1 6.081 -4.605 29.087 1.00 50.48 B O +ANISOU 4 O ALA B 1 5898 5839 7443 -1818 -1408 69 B O +ATOM 5 CB ALA B 1 7.925 -3.335 31.457 1.00 57.17 B C +ANISOU 5 CB ALA B 1 6401 6764 8556 -1973 -1675 -84 B C +ATOM 6 HA ALA B 1 8.007 -2.258 29.739 1.00 62.75 B H +ATOM 7 HB1 ALA B 1 8.759 -3.805 31.301 1.00 68.61 B H +ATOM 8 HB2 ALA B 1 8.082 -2.562 32.022 1.00 68.61 B H +ATOM 9 HB3 ALA B 1 7.285 -3.928 31.879 1.00 68.61 B H +ATOM 10 N ILE B 2 8.250 -4.469 28.506 1.00 44.48 B N +ANISOU 10 N ILE B 2 4776 5167 6957 -1770 -1333 1 B N +ATOM 11 CA ILE B 2 8.195 -5.620 27.611 1.00 49.46 B C +ANISOU 11 CA ILE B 2 5469 5798 7525 -1631 -1279 38 B C +ATOM 12 C ILE B 2 8.467 -6.881 28.422 1.00 49.39 B C +ANISOU 12 C ILE B 2 5482 5810 7474 -1516 -1476 12 B C +ATOM 13 O ILE B 2 9.492 -6.974 29.100 1.00 55.96 B O +ANISOU 13 O ILE B 2 6153 6689 8421 -1500 -1587 -46 B O +ATOM 14 CB ILE B 2 9.222 -5.490 26.470 1.00 54.01 B C +ANISOU 14 CB ILE B 2 5868 6409 8243 -1593 -1112 31 B C +ATOM 15 CG1 ILE B 2 8.934 -4.265 25.593 1.00 58.73 B C +ANISOU 15 CG1 ILE B 2 6452 6984 8879 -1703 -907 61 B C +ATOM 16 CG2 ILE B 2 9.202 -6.775 25.627 1.00 47.90 B C +ANISOU 16 CG2 ILE B 2 5160 5635 7403 -1442 -1071 66 B C +ATOM 17 CD1 ILE B 2 7.545 -4.244 25.020 1.00 55.84 B C +ANISOU 17 CD1 ILE B 2 6310 6558 8348 -1721 -820 134 B C +ATOM 18 H ILE B 2 9.022 -4.091 28.545 1.00 53.39 B H +ATOM 19 HA ILE B 2 7.306 -5.675 27.225 1.00 59.36 B H +ATOM 20 HB ILE B 2 10.102 -5.365 26.859 1.00 64.82 B H +ATOM 21 HG12 ILE B 2 9.045 -3.464 26.129 1.00 70.49 B H +ATOM 22 HG13 ILE B 2 9.560 -4.257 24.852 1.00 70.49 B H +ATOM 23 HG21 ILE B 2 9.652 -6.606 24.784 1.00 57.49 B H +ATOM 24 HG22 ILE B 2 9.661 -7.478 26.112 1.00 57.49 B H +ATOM 25 HG23 ILE B 2 8.281 -7.032 25.465 1.00 57.49 B H +ATOM 26 HD11 ILE B 2 7.490 -3.545 24.350 1.00 67.02 B H +ATOM 27 HD12 ILE B 2 7.358 -5.106 24.614 1.00 67.02 B H +ATOM 28 HD13 ILE B 2 6.911 -4.070 25.733 1.00 67.02 B H +ATOM 29 N LEU B 3 7.572 -7.846 28.338 1.00 41.06 B N +ANISOU 29 N LEU B 3 4621 4722 6257 -1435 -1518 54 B N +ATOM 30 CA LEU B 3 7.702 -9.118 29.022 1.00 49.41 B C +ANISOU 30 CA LEU B 3 5727 5793 7255 -1319 -1695 38 B C +ATOM 31 C LEU B 3 8.288 -10.183 28.097 1.00 52.66 B C +ANISOU 31 C LEU B 3 6093 6227 7687 -1174 -1631 50 B C +ATOM 32 O LEU B 3 8.109 -10.148 26.875 1.00 49.89 B O +ANISOU 32 O LEU B 3 5766 5863 7326 -1153 -1452 92 B O +ATOM 33 CB LEU B 3 6.342 -9.582 29.536 1.00 48.61 B C +ANISOU 33 CB LEU B 3 5874 5638 6957 -1317 -1787 76 B C +ATOM 34 CG LEU B 3 5.611 -8.562 30.409 1.00 49.63 B C +ANISOU 34 CG LEU B 3 6075 5736 7047 -1460 -1841 71 B C +ATOM 35 CD1 LEU B 3 4.232 -9.059 30.777 1.00 49.99 B C +ANISOU 35 CD1 LEU B 3 6371 5726 6897 -1452 -1911 113 B C +ATOM 36 CD2 LEU B 3 6.447 -8.269 31.644 1.00 55.66 B C +ANISOU 36 CD2 LEU B 3 6698 6537 7913 -1502 -2005 1 B C +ATOM 37 H LEU B 3 6.852 -7.786 27.873 1.00 49.28 B H +ATOM 38 HA LEU B 3 8.307 -9.014 29.773 1.00 59.31 B H +ATOM 39 HB2 LEU B 3 5.774 -9.776 28.773 1.00 58.34 B H +ATOM 40 HB3 LEU B 3 6.470 -10.384 30.066 1.00 58.34 B H +ATOM 41 HG LEU B 3 5.489 -7.733 29.919 1.00 59.57 B H +ATOM 42 HD11 LEU B 3 3.798 -8.399 31.340 1.00 60.00 B H +ATOM 43 HD12 LEU B 3 3.717 -9.190 29.965 1.00 60.00 B H +ATOM 44 HD13 LEU B 3 4.316 -9.898 31.255 1.00 60.00 B H +ATOM 45 HD21 LEU B 3 5.920 -7.739 32.263 1.00 66.80 B H +ATOM 46 HD22 LEU B 3 6.701 -9.107 32.059 1.00 66.80 B H +ATOM 47 HD23 LEU B 3 7.240 -7.777 31.379 1.00 66.80 B H +ATOM 48 N ASN B 4 8.990 -11.137 28.696 1.00 47.77 B N +ANISOU 48 N ASN B 4 5411 5642 7098 -1072 -1779 14 B N +ATOM 49 CA ASN B 4 9.518 -12.271 27.953 1.00 44.68 B C +ANISOU 49 CA ASN B 4 4989 5270 6718 -925 -1742 24 B C +ATOM 50 C ASN B 4 8.399 -13.251 27.607 1.00 48.96 B C +ANISOU 50 C ASN B 4 5767 5766 7069 -846 -1742 80 B C +ATOM 51 O ASN B 4 7.550 -13.569 28.447 1.00 47.19 B O +ANISOU 51 O ASN B 4 5703 5513 6715 -854 -1876 89 B O +ATOM 52 CB ASN B 4 10.601 -12.985 28.760 1.00 52.69 B C +ANISOU 52 CB ASN B 4 5863 6333 7823 -841 -1908 -32 B C +ATOM 53 CG ASN B 4 11.042 -14.286 28.116 1.00 65.51 B C +ANISOU 53 CG ASN B 4 7481 7971 9440 -680 -1891 -20 B C +ATOM 54 ND2 ASN B 4 10.611 -15.409 28.689 1.00 70.62 B N +ANISOU 54 ND2 ASN B 4 8262 8604 9965 -587 -2036 -11 B N +ATOM 55 OD1 ASN B 4 11.756 -14.286 27.113 1.00 65.83 B O +ANISOU 55 OD1 ASN B 4 7399 8034 9581 -639 -1745 -18 B O +ATOM 56 H ASN B 4 9.175 -11.150 29.536 1.00 57.34 B H +ATOM 57 HA ASN B 4 9.915 -11.955 27.127 1.00 53.63 B H +ATOM 58 HB2 ASN B 4 11.377 -12.407 28.830 1.00 63.24 B H +ATOM 59 HB3 ASN B 4 10.257 -13.188 29.644 1.00 63.24 B H +ATOM 60 HD21 ASN B 4 10.834 -16.172 28.360 1.00 84.75 B H +ATOM 61 HD22 ASN B 4 10.111 -15.370 29.387 1.00 84.75 B H +ATOM 62 N ILE B 5 8.411 -13.737 26.365 1.00 41.20 B N +ANISOU 62 N ILE B 5 4806 4779 6071 -769 -1590 117 B N +ATOM 63 CA ILE B 5 7.408 -14.669 25.875 1.00 41.49 B C +ANISOU 63 CA ILE B 5 5057 4773 5933 -691 -1568 173 B C +ATOM 64 C ILE B 5 7.984 -16.079 25.898 1.00 46.03 B C +ANISOU 64 C ILE B 5 5616 5371 6503 -533 -1651 160 B C +ATOM 65 O ILE B 5 9.010 -16.351 25.264 1.00 48.32 B O +ANISOU 65 O ILE B 5 5752 5696 6912 -464 -1577 142 B O +ATOM 66 CB ILE B 5 6.939 -14.287 24.459 1.00 40.93 B C +ANISOU 66 CB ILE B 5 5043 4677 5833 -714 -1341 227 B C +ATOM 67 CG1 ILE B 5 6.224 -12.937 24.506 1.00 42.14 B C +ANISOU 67 CG1 ILE B 5 5238 4802 5972 -869 -1270 245 B C +ATOM 68 CG2 ILE B 5 6.058 -15.386 23.880 1.00 39.29 B C +ANISOU 68 CG2 ILE B 5 5039 4434 5457 -617 -1318 280 B C +ATOM 69 CD1 ILE B 5 5.849 -12.373 23.138 1.00 44.62 B C +ANISOU 69 CD1 ILE B 5 5584 5094 6277 -908 -1043 296 B C +ATOM 70 H ILE B 5 9.006 -13.534 25.779 1.00 49.39 B H +ATOM 71 HA ILE B 5 6.646 -14.652 26.476 1.00 49.79 B H +ATOM 72 HB ILE B 5 7.706 -14.198 23.873 1.00 49.13 B H +ATOM 73 HG12 ILE B 5 5.405 -13.038 25.016 1.00 50.58 B H +ATOM 74 HG13 ILE B 5 6.806 -12.293 24.939 1.00 50.58 B H +ATOM 75 HG21 ILE B 5 5.589 -15.039 23.105 1.00 47.16 B H +ATOM 76 HG22 ILE B 5 6.617 -16.135 23.620 1.00 47.16 B H +ATOM 77 HG23 ILE B 5 5.420 -15.668 24.554 1.00 47.16 B H +ATOM 78 HD11 ILE B 5 5.591 -11.443 23.239 1.00 53.56 B H +ATOM 79 HD12 ILE B 5 6.616 -12.441 22.547 1.00 53.56 B H +ATOM 80 HD13 ILE B 5 5.108 -12.884 22.778 1.00 53.56 B H +ATOM 81 N LEU B 6 7.320 -16.981 26.619 1.00 47.95 B N +ANISOU 81 N LEU B 6 6019 5592 6608 -475 -1803 169 B N +ATOM 82 CA LEU B 6 7.728 -18.381 26.641 1.00 41.27 B C +ANISOU 82 CA LEU B 6 5185 4759 5736 -321 -1883 162 B C +ATOM 83 C LEU B 6 7.526 -19.024 25.270 1.00 40.86 B C +ANISOU 83 C LEU B 6 5202 4691 5632 -236 -1717 209 B C +ATOM 84 O LEU B 6 6.599 -18.686 24.530 1.00 44.22 B O +ANISOU 84 O LEU B 6 5760 5078 5962 -284 -1590 259 B O +ATOM 85 CB LEU B 6 6.918 -19.149 27.681 1.00 43.08 B C +ANISOU 85 CB LEU B 6 5594 4961 5814 -288 -2072 167 B C +ATOM 86 CG LEU B 6 6.973 -18.680 29.132 1.00 47.79 B C +ANISOU 86 CG LEU B 6 6160 5567 6431 -363 -2257 123 B C +ATOM 87 CD1 LEU B 6 5.937 -19.473 29.924 1.00 47.65 B C +ANISOU 87 CD1 LEU B 6 6362 5509 6233 -329 -2406 141 B C +ATOM 88 CD2 LEU B 6 8.350 -18.839 29.716 1.00 48.34 B C +ANISOU 88 CD2 LEU B 6 6014 5694 6660 -318 -2361 63 B C +ATOM 89 H LEU B 6 6.631 -16.807 27.103 1.00 57.55 B H +ATOM 90 HA LEU B 6 8.668 -18.436 26.873 1.00 49.53 B H +ATOM 91 HB2 LEU B 6 5.987 -19.113 27.413 1.00 51.71 B H +ATOM 92 HB3 LEU B 6 7.230 -20.068 27.675 1.00 51.71 B H +ATOM 93 HG LEU B 6 6.771 -17.733 29.185 1.00 57.36 B H +ATOM 94 HD11 LEU B 6 5.959 -19.184 30.849 1.00 57.19 B H +ATOM 95 HD12 LEU B 6 5.059 -19.309 29.547 1.00 57.19 B H +ATOM 96 HD13 LEU B 6 6.151 -20.417 29.867 1.00 57.19 B H +ATOM 97 HD21 LEU B 6 8.341 -18.528 30.635 1.00 58.02 B H +ATOM 98 HD22 LEU B 6 8.599 -19.776 29.687 1.00 58.02 B H +ATOM 99 HD23 LEU B 6 8.977 -18.314 29.195 1.00 58.02 B H +ATOM 100 N GLU B 7 8.397 -19.972 24.941 1.00 41.17 B N +ANISOU 100 N GLU B 7 5153 4758 5731 -108 -1721 194 B N +ATOM 101 CA GLU B 7 8.337 -20.681 23.662 1.00 48.77 B C +ANISOU 101 CA GLU B 7 6168 5708 6653 -16 -1570 233 B C +ATOM 102 C GLU B 7 8.248 -22.187 23.849 1.00 48.38 B C +ANISOU 102 C GLU B 7 6222 5652 6510 130 -1673 239 B C +ATOM 103 O GLU B 7 8.996 -22.764 24.647 1.00 44.45 B O +ANISOU 103 O GLU B 7 5632 5184 6073 198 -1820 198 B O +ATOM 104 CB GLU B 7 9.565 -20.349 22.798 1.00 50.45 B C +ANISOU 104 CB GLU B 7 6162 5961 7047 2 -1425 211 B C +ATOM 105 CG GLU B 7 9.686 -18.872 22.467 1.00 49.68 B C +ANISOU 105 CG GLU B 7 5961 5869 7047 -138 -1300 208 B C +ATOM 106 CD GLU B 7 10.887 -18.560 21.593 1.00 58.57 B C +ANISOU 106 CD GLU B 7 6873 7032 8349 -119 -1153 186 B C +ATOM 107 OE1 GLU B 7 11.508 -19.511 21.056 1.00 54.48 B O +ANISOU 107 OE1 GLU B 7 6309 6528 7863 5 -1121 184 B O +ATOM 108 OE2 GLU B 7 11.210 -17.357 21.451 1.00 51.59 B O +ANISOU 108 OE2 GLU B 7 5868 6160 7572 -229 -1069 172 B O +ATOM 109 H GLU B 7 9.042 -20.227 25.449 1.00 49.34 B H +ATOM 110 HA GLU B 7 7.525 -20.402 23.211 1.00 58.53 B H +ATOM 111 HB2 GLU B 7 10.366 -20.614 23.276 1.00 60.56 B H +ATOM 112 HB3 GLU B 7 9.501 -20.838 21.962 1.00 60.56 B H +ATOM 113 HG2 GLU B 7 8.888 -18.589 21.992 1.00 59.63 B H +ATOM 114 HG3 GLU B 7 9.777 -18.370 23.291 1.00 59.63 B H +ATOM 115 N PHE B 8 7.349 -22.815 23.092 1.00 45.03 B N +ANISOU 115 N PHE B 8 5985 5188 5938 176 -1593 292 B N +ATOM 116 CA PHE B 8 7.300 -24.265 22.945 1.00 41.93 B C +ANISOU 116 CA PHE B 8 5687 4785 5458 322 -1642 304 B C +ATOM 117 C PHE B 8 8.709 -24.796 22.690 1.00 46.58 B C +ANISOU 117 C PHE B 8 6077 5420 6203 425 -1629 267 B C +ATOM 118 O PHE B 8 9.453 -24.203 21.903 1.00 49.06 B O +ANISOU 118 O PHE B 8 6235 5757 6649 402 -1483 259 B O +ATOM 119 CB PHE B 8 6.339 -24.589 21.774 1.00 42.52 B C +ANISOU 119 CB PHE B 8 5944 4817 5394 340 -1487 367 B C +ATOM 120 CG PHE B 8 6.171 -26.042 21.460 1.00 43.43 B C +ANISOU 120 CG PHE B 8 6177 4916 5407 482 -1510 386 B C +ATOM 121 CD1 PHE B 8 5.584 -26.909 22.361 1.00 46.68 B C +ANISOU 121 CD1 PHE B 8 6734 5308 5694 536 -1682 386 B C +ATOM 122 CD2 PHE B 8 6.555 -26.540 20.226 1.00 43.16 B C +ANISOU 122 CD2 PHE B 8 6118 4883 5396 561 -1351 406 B C +ATOM 123 CE1 PHE B 8 5.433 -28.257 22.066 1.00 46.32 B C +ANISOU 123 CE1 PHE B 8 6799 5247 5555 668 -1700 404 B C +ATOM 124 CE2 PHE B 8 6.385 -27.874 19.914 1.00 44.75 B C +ANISOU 124 CE2 PHE B 8 6433 5068 5502 690 -1366 424 B C +ATOM 125 CZ PHE B 8 5.822 -28.739 20.840 1.00 44.75 B C +ANISOU 125 CZ PHE B 8 6573 5050 5380 744 -1542 423 B C +ATOM 126 H PHE B 8 6.739 -22.411 22.640 1.00 54.05 B H +ATOM 127 HA PHE B 8 6.974 -24.706 23.746 1.00 50.32 B H +ATOM 128 HB2 PHE B 8 5.462 -24.237 21.993 1.00 51.03 B H +ATOM 129 HB3 PHE B 8 6.678 -24.159 20.973 1.00 51.03 B H +ATOM 130 HD1 PHE B 8 5.284 -26.585 23.180 1.00 56.03 B H +ATOM 131 HD2 PHE B 8 6.933 -25.967 19.599 1.00 51.80 B H +ATOM 132 HE1 PHE B 8 5.068 -28.834 22.698 1.00 55.60 B H +ATOM 133 HE2 PHE B 8 6.650 -28.192 19.081 1.00 53.71 B H +ATOM 134 HZ PHE B 8 5.708 -29.639 20.633 1.00 53.71 B H +ATOM 135 N PRO B 9 9.124 -25.894 23.335 1.00 46.34 B N +ANISOU 135 N PRO B 9 6041 5402 6164 540 -1776 244 B N +ATOM 136 CA PRO B 9 8.389 -26.803 24.234 1.00 52.43 B C +ANISOU 136 CA PRO B 9 6988 6148 6786 594 -1952 251 B C +ATOM 137 C PRO B 9 8.524 -26.530 25.731 1.00 52.14 B C +ANISOU 137 C PRO B 9 6910 6127 6774 548 -2162 209 B C +ATOM 138 O PRO B 9 8.511 -27.464 26.534 1.00 55.93 B O +ANISOU 138 O PRO B 9 7449 6606 7196 629 -2325 196 B O +ATOM 139 CB PRO B 9 9.020 -28.169 23.883 1.00 51.44 B C +ANISOU 139 CB PRO B 9 6843 6033 6670 759 -1963 247 B C +ATOM 140 CG PRO B 9 10.485 -27.805 23.678 1.00 56.66 B C +ANISOU 140 CG PRO B 9 7236 6747 7547 776 -1917 204 B C +ATOM 141 CD PRO B 9 10.469 -26.427 23.023 1.00 52.00 B C +ANISOU 141 CD PRO B 9 6566 6160 7031 644 -1754 212 B C +ATOM 142 HA PRO B 9 7.449 -26.748 24.003 1.00 62.93 B H +ATOM 143 HB2 PRO B 9 8.907 -28.795 24.616 1.00 61.74 B H +ATOM 144 HB3 PRO B 9 8.625 -28.530 23.075 1.00 61.74 B H +ATOM 145 HG2 PRO B 9 10.940 -27.776 24.534 1.00 68.01 B H +ATOM 146 HG3 PRO B 9 10.908 -28.458 23.099 1.00 68.01 B H +ATOM 147 HD2 PRO B 9 11.158 -25.860 23.403 1.00 62.41 B H +ATOM 148 HD3 PRO B 9 10.592 -26.503 22.064 1.00 62.41 B H +ATOM 149 N ASP B 10 8.632 -25.268 26.145 1.00 49.61 B N +ANISOU 149 N ASP B 10 6495 5821 6534 416 -2164 188 B N +ATOM 150 CA ASP B 10 8.687 -24.932 27.562 1.00 50.07 B C +ANISOU 150 CA ASP B 10 6526 5892 6608 359 -2358 149 B C +ATOM 151 C ASP B 10 7.473 -25.512 28.293 1.00 51.11 B C +ANISOU 151 C ASP B 10 6896 5978 6546 366 -2488 172 B C +ATOM 152 O ASP B 10 6.329 -25.217 27.914 1.00 46.97 B O +ANISOU 152 O ASP B 10 6542 5411 5895 305 -2412 216 B O +ATOM 153 CB ASP B 10 8.716 -23.410 27.719 1.00 46.78 B C +ANISOU 153 CB ASP B 10 6013 5485 6277 202 -2307 134 B C +ATOM 154 CG ASP B 10 9.089 -22.962 29.110 1.00 54.17 B C +ANISOU 154 CG ASP B 10 6865 6445 7274 142 -2492 84 B C +ATOM 155 OD1 ASP B 10 8.606 -23.566 30.101 1.00 51.69 B O +ANISOU 155 OD1 ASP B 10 6672 6114 6854 169 -2666 79 B O +ATOM 156 OD2 ASP B 10 9.880 -22.006 29.208 1.00 53.93 B O +ANISOU 156 OD2 ASP B 10 6646 6450 7396 66 -2463 50 B O +ATOM 157 H ASP B 10 8.676 -24.587 25.622 1.00 59.54 B H +ATOM 158 HA ASP B 10 9.487 -25.309 27.962 1.00 60.10 B H +ATOM 159 HB2 ASP B 10 9.368 -23.043 27.102 1.00 56.15 B H +ATOM 160 HB3 ASP B 10 7.835 -23.057 27.519 1.00 56.15 B H +ATOM 161 N PRO B 11 7.676 -26.290 29.362 1.00 50.99 B N +ANISOU 161 N PRO B 11 8284 5211 5877 -438 -2332 529 B N +ATOM 162 CA PRO B 11 6.526 -26.920 30.033 1.00 51.80 B C +ANISOU 162 CA PRO B 11 8495 5211 5974 -550 -2156 690 B C +ATOM 163 C PRO B 11 5.621 -25.939 30.753 1.00 52.98 B C +ANISOU 163 C PRO B 11 8786 5470 5873 -639 -1890 728 B C +ATOM 164 O PRO B 11 4.480 -26.294 31.076 1.00 51.70 B O +ANISOU 164 O PRO B 11 8660 5262 5720 -732 -1697 814 B O +ATOM 165 CB PRO B 11 7.184 -27.889 31.028 1.00 53.26 B C +ANISOU 165 CB PRO B 11 8879 5238 6118 -585 -2348 892 B C +ATOM 166 CG PRO B 11 8.530 -27.306 31.290 1.00 58.75 B C +ANISOU 166 CG PRO B 11 9656 6007 6659 -516 -2551 856 B C +ATOM 167 CD PRO B 11 8.959 -26.689 29.983 1.00 55.74 B C +ANISOU 167 CD PRO B 11 9025 5744 6410 -405 -2598 613 B C +ATOM 168 HA PRO B 11 6.005 -27.422 29.386 1.00 62.17 B H +ATOM 169 HB2 PRO B 11 6.660 -27.934 31.842 1.00 63.92 B H +ATOM 170 HB3 PRO B 11 7.258 -28.771 30.632 1.00 63.92 B H +ATOM 171 HG2 PRO B 11 8.468 -26.633 31.985 1.00 70.51 B H +ATOM 172 HG3 PRO B 11 9.145 -28.006 31.560 1.00 70.51 B H +ATOM 173 HD2 PRO B 11 9.525 -25.916 30.135 1.00 66.90 B H +ATOM 174 HD3 PRO B 11 9.423 -27.338 29.431 1.00 66.90 B H +ATOM 175 N ARG B 12 6.091 -24.734 31.039 1.00 50.31 B N +ANISOU 175 N ARG B 12 8529 5273 5315 -618 -1875 663 B N +ATOM 176 CA ARG B 12 5.251 -23.770 31.733 1.00 52.94 B C +ANISOU 176 CA ARG B 12 8986 5709 5420 -699 -1624 678 B C +ATOM 177 C ARG B 12 4.101 -23.297 30.859 1.00 47.76 B C +ANISOU 177 C ARG B 12 8134 5123 4890 -692 -1392 551 B C +ATOM 178 O ARG B 12 3.108 -22.797 31.390 1.00 50.06 B O +ANISOU 178 O ARG B 12 8503 5465 5053 -771 -1155 577 B O +ATOM 179 CB ARG B 12 6.098 -22.593 32.209 1.00 48.84 B C +ANISOU 179 CB ARG B 12 8587 5314 4657 -672 -1675 622 B C +ATOM 180 CG ARG B 12 7.030 -22.967 33.381 1.00 51.85 B C +ANISOU 180 CG ARG B 12 9209 5649 4843 -711 -1854 777 B C +ATOM 181 CD ARG B 12 8.002 -21.826 33.662 1.00 55.64 B C +ANISOU 181 CD ARG B 12 9769 6257 5115 -669 -1933 689 B C +ATOM 182 NE ARG B 12 8.972 -21.663 32.586 1.00 55.25 B N +ANISOU 182 NE ARG B 12 9538 6234 5222 -545 -2125 541 B N +ATOM 183 CZ ARG B 12 9.896 -20.713 32.556 1.00 59.08 B C +ANISOU 183 CZ ARG B 12 10041 6827 5581 -493 -2216 437 B C +ATOM 184 NH1 ARG B 12 9.973 -19.792 33.507 1.00 61.74 B N +ANISOU 184 NH1 ARG B 12 10520 7252 5686 -542 -2094 443 B N +ATOM 185 NH2 ARG B 12 10.765 -20.689 31.552 1.00 56.38 B N +ANISOU 185 NH2 ARG B 12 9464 6507 5450 -382 -2329 301 B N +ATOM 186 H ARG B 12 6.880 -24.453 30.845 1.00 60.39 B H +ATOM 187 HA ARG B 12 4.867 -24.182 32.523 1.00 63.54 B H +ATOM 188 HB2 ARG B 12 6.649 -22.282 31.474 1.00 58.62 B H +ATOM 189 HB3 ARG B 12 5.511 -21.881 32.507 1.00 58.62 B H +ATOM 190 HG2 ARG B 12 6.502 -23.129 34.179 1.00 62.23 B H +ATOM 191 HG3 ARG B 12 7.539 -23.760 33.153 1.00 62.23 B H +ATOM 192 HD2 ARG B 12 7.505 -20.997 33.751 1.00 66.78 B H +ATOM 193 HD3 ARG B 12 8.486 -22.012 34.482 1.00 66.78 B H +ATOM 194 HE ARG B 12 8.942 -22.218 31.930 1.00 66.32 B H +ATOM 195 HH11 ARG B 12 9.416 -19.803 34.162 1.00 74.10 B H +ATOM 196 HH12 ARG B 12 10.580 -19.184 33.469 1.00 74.10 B H +ATOM 197 HH21 ARG B 12 10.724 -21.284 30.932 1.00 67.67 B H +ATOM 198 HH22 ARG B 12 11.370 -20.078 31.521 1.00 67.67 B H +ATOM 199 N LEU B 13 4.201 -23.462 29.539 1.00 47.17 B N +ANISOU 199 N LEU B 13 7801 5061 5062 -602 -1456 414 B N +ATOM 200 CA LEU B 13 3.059 -23.176 28.685 1.00 40.29 B C +ANISOU 200 CA LEU B 13 6730 4251 4328 -600 -1246 311 B C +ATOM 201 C LEU B 13 1.935 -24.192 28.842 1.00 43.80 B C +ANISOU 201 C LEU B 13 7164 4588 4890 -684 -1108 408 B C +ATOM 202 O LEU B 13 0.852 -23.982 28.272 1.00 45.37 B O +ANISOU 202 O LEU B 13 7216 4839 5183 -698 -908 337 B O +ATOM 203 CB LEU B 13 3.497 -23.131 27.212 1.00 41.07 B C +ANISOU 203 CB LEU B 13 6543 4409 4651 -491 -1361 141 B C +ATOM 204 CG LEU B 13 4.336 -21.920 26.810 1.00 46.48 B C +ANISOU 204 CG LEU B 13 7183 5236 5242 -415 -1438 17 B C +ATOM 205 CD1 LEU B 13 5.134 -22.233 25.551 1.00 41.70 B C +ANISOU 205 CD1 LEU B 13 6334 4667 4843 -319 -1637 -115 B C +ATOM 206 CD2 LEU B 13 3.450 -20.693 26.590 1.00 44.82 B C +ANISOU 206 CD2 LEU B 13 6916 5151 4962 -423 -1202 -58 B C +ATOM 207 H LEU B 13 4.905 -23.732 29.127 1.00 56.62 B H +ATOM 208 HA LEU B 13 2.712 -22.303 28.925 1.00 48.36 B H +ATOM 209 HB2 LEU B 13 4.026 -23.923 27.028 1.00 49.29 B H +ATOM 210 HB3 LEU B 13 2.701 -23.128 26.658 1.00 49.29 B H +ATOM 211 HG LEU B 13 4.957 -21.712 27.526 1.00 55.79 B H +ATOM 212 HD11 LEU B 13 5.653 -21.452 25.302 1.00 50.05 B H +ATOM 213 HD12 LEU B 13 5.727 -22.980 25.730 1.00 50.05 B H +ATOM 214 HD13 LEU B 13 4.520 -22.463 24.836 1.00 50.05 B H +ATOM 215 HD21 LEU B 13 4.008 -19.944 26.324 1.00 53.80 B H +ATOM 216 HD22 LEU B 13 2.806 -20.889 25.892 1.00 53.80 B H +ATOM 217 HD23 LEU B 13 2.989 -20.484 27.417 1.00 53.80 B H +ATOM 218 N ARG B 14 2.160 -25.294 29.569 1.00 43.14 B N +ANISOU 218 N ARG B 14 7223 4355 4812 -741 -1214 569 B N +ATOM 219 CA ARG B 14 1.098 -26.271 29.798 1.00 44.58 B C +ANISOU 219 CA ARG B 14 7413 4427 5099 -836 -1082 677 B C +ATOM 220 C ARG B 14 0.336 -26.002 31.094 1.00 50.91 B C +ANISOU 220 C ARG B 14 8451 5245 5646 -967 -887 820 B C +ATOM 221 O ARG B 14 -0.594 -26.751 31.419 1.00 53.83 B O +ANISOU 221 O ARG B 14 8851 5535 6066 -1064 -759 923 B O +ATOM 222 CB ARG B 14 1.670 -27.691 29.825 1.00 49.01 B C +ANISOU 222 CB ARG B 14 7983 4801 5839 -834 -1299 783 B C +ATOM 223 CG ARG B 14 2.416 -28.067 28.565 1.00 49.78 B C +ANISOU 223 CG ARG B 14 7834 4881 6198 -712 -1494 629 B C +ATOM 224 CD ARG B 14 1.523 -27.871 27.357 1.00 54.98 B C +ANISOU 224 CD ARG B 14 8220 5627 7044 -683 -1334 461 B C +ATOM 225 NE ARG B 14 2.080 -28.460 26.145 1.00 55.04 B N +ANISOU 225 NE ARG B 14 7973 5614 7327 -590 -1505 318 B N +ATOM 226 CZ ARG B 14 1.428 -28.535 24.996 1.00 52.04 B C +ANISOU 226 CZ ARG B 14 7326 5300 7147 -563 -1410 171 B C +ATOM 227 NH1 ARG B 14 0.192 -28.080 24.880 1.00 46.08 B N +ANISOU 227 NH1 ARG B 14 6521 4626 6360 -615 -1151 151 B N +ATOM 228 NH2 ARG B 14 2.028 -29.090 23.945 1.00 48.50 B N +ANISOU 228 NH2 ARG B 14 6648 4843 6935 -483 -1580 34 B N +ATOM 229 H ARG B 14 2.913 -25.492 29.934 1.00 51.78 B H +ATOM 230 HA ARG B 14 0.471 -26.227 29.059 1.00 53.51 B H +ATOM 231 HB2 ARG B 14 2.288 -27.765 30.569 1.00 58.83 B H +ATOM 232 HB3 ARG B 14 0.940 -28.320 29.936 1.00 58.83 B H +ATOM 233 HG2 ARG B 14 3.199 -27.502 28.467 1.00 59.74 B H +ATOM 234 HG3 ARG B 14 2.682 -28.999 28.607 1.00 59.74 B H +ATOM 235 HD2 ARG B 14 0.665 -28.290 27.527 1.00 65.99 B H +ATOM 236 HD3 ARG B 14 1.404 -26.921 27.202 1.00 65.99 B H +ATOM 237 HE ARG B 14 2.879 -28.776 26.179 1.00 66.06 B H +ATOM 238 HH11 ARG B 14 -0.202 -27.727 25.559 1.00 55.30 B H +ATOM 239 HH12 ARG B 14 -0.218 -28.136 24.126 1.00 55.30 B H +ATOM 240 HH21 ARG B 14 2.829 -29.394 24.017 1.00 58.21 B H +ATOM 241 HH22 ARG B 14 1.614 -29.144 23.193 1.00 58.21 B H +ATOM 242 N THR B 15 0.715 -24.967 31.836 1.00 50.02 B N +ANISOU 242 N THR B 15 8501 5240 5265 -976 -861 820 B N +ATOM 243 CA THR B 15 0.027 -24.614 33.068 1.00 53.97 B C +ANISOU 243 CA THR B 15 9215 5785 5506 -1103 -671 930 B C +ATOM 244 C THR B 15 -1.382 -24.129 32.763 1.00 52.88 B C +ANISOU 244 C THR B 15 8967 5726 5399 -1144 -376 843 B C +ATOM 245 O THR B 15 -1.603 -23.348 31.833 1.00 47.90 B O +ANISOU 245 O THR B 15 8151 5186 4864 -1060 -305 672 B O +ATOM 246 CB THR B 15 0.789 -23.497 33.806 1.00 54.84 B C +ANISOU 246 CB THR B 15 9490 6011 5337 -1092 -709 905 B C +ATOM 247 CG2 THR B 15 0.270 -23.351 35.247 1.00 56.29 B C +ANISOU 247 CG2 THR B 15 9919 6234 5233 -1239 -558 1042 B C +ATOM 248 OG1 THR B 15 2.181 -23.810 33.827 1.00 57.96 B O +ANISOU 248 OG1 THR B 15 9936 6354 5734 -1024 -997 940 B O +ATOM 249 H THR B 15 1.375 -24.448 31.645 1.00 60.04 B H +ATOM 250 HA THR B 15 -0.019 -25.394 33.642 1.00 64.78 B H +ATOM 251 HB THR B 15 0.655 -22.652 33.349 1.00 65.82 B H +ATOM 252 HG1 THR B 15 2.467 -23.902 33.043 1.00 69.57 B H +ATOM 253 HG21 THR B 15 0.838 -22.742 35.744 1.00 67.56 B H +ATOM 254 HG22 THR B 15 -0.635 -23.003 35.240 1.00 67.56 B H +ATOM 255 HG23 THR B 15 0.272 -24.215 35.689 1.00 67.56 B H +ATOM 256 N ILE B 16 -2.338 -24.584 33.558 1.00 51.47 B N +ANISOU 256 N ILE B 16 8901 5518 5136 -1278 -206 966 B N +ATOM 257 CA ILE B 16 -3.711 -24.100 33.454 1.00 52.75 B C +ANISOU 257 CA ILE B 16 8985 5765 5293 -1331 88 891 B C +ATOM 258 C ILE B 16 -3.837 -22.845 34.307 1.00 53.33 B C +ANISOU 258 C ILE B 16 9202 5981 5081 -1369 231 847 B C +ATOM 259 O ILE B 16 -3.613 -22.889 35.521 1.00 51.36 B O +ANISOU 259 O ILE B 16 9181 5743 4589 -1468 226 973 B O +ATOM 260 CB ILE B 16 -4.715 -25.176 33.900 1.00 54.88 B C +ANISOU 260 CB ILE B 16 9299 5947 5606 -1466 214 1033 B C +ATOM 261 CG1 ILE B 16 -4.674 -26.337 32.919 1.00 56.50 B C +ANISOU 261 CG1 ILE B 16 9325 6011 6130 -1419 92 1039 B C +ATOM 262 CG2 ILE B 16 -6.104 -24.577 33.994 1.00 57.20 B C +ANISOU 262 CG2 ILE B 16 9542 6349 5844 -1533 526 957 B C +ATOM 263 CD1 ILE B 16 -5.440 -27.530 33.361 1.00 61.58 B C +ANISOU 263 CD1 ILE B 16 10024 6535 6840 -1550 164 1198 B C +ATOM 264 H ILE B 16 -2.219 -25.177 34.169 1.00 61.77 B H +ATOM 265 HA ILE B 16 -3.904 -23.866 32.533 1.00 63.31 B H +ATOM 266 HB ILE B 16 -4.473 -25.510 34.778 1.00 65.87 B H +ATOM 267 HG12 ILE B 16 -5.049 -26.043 32.074 1.00 67.81 B H +ATOM 268 HG13 ILE B 16 -3.751 -26.608 32.797 1.00 67.81 B H +ATOM 269 HG21 ILE B 16 -6.758 -25.293 33.988 1.00 68.66 B H +ATOM 270 HG22 ILE B 16 -6.174 -24.072 34.819 1.00 68.66 B H +ATOM 271 HG23 ILE B 16 -6.247 -23.991 33.234 1.00 68.66 B H +ATOM 272 HD11 ILE B 16 -5.275 -28.259 32.742 1.00 73.91 B H +ATOM 273 HD12 ILE B 16 -5.149 -27.780 34.252 1.00 73.91 B H +ATOM 274 HD13 ILE B 16 -6.386 -27.313 33.370 1.00 73.91 B H +ATOM 275 N ALA B 17 -4.212 -21.735 33.686 1.00 47.26 B N +ANISOU 275 N ALA B 17 8293 5322 4343 -1296 359 669 B N +ATOM 276 CA ALA B 17 -4.262 -20.468 34.395 1.00 52.69 B C +ANISOU 276 CA ALA B 17 9093 6134 4791 -1315 484 598 B C +ATOM 277 C ALA B 17 -5.421 -20.442 35.392 1.00 53.86 B C +ANISOU 277 C ALA B 17 9359 6334 4773 -1462 740 652 B C +ATOM 278 O ALA B 17 -6.481 -21.039 35.167 1.00 52.61 B O +ANISOU 278 O ALA B 17 9113 6146 4729 -1519 888 676 B O +ATOM 279 CB ALA B 17 -4.393 -19.305 33.399 1.00 49.71 B C +ANISOU 279 CB ALA B 17 8519 5844 4525 -1194 549 398 B C +ATOM 280 H ALA B 17 -4.441 -21.690 32.858 1.00 56.73 B H +ATOM 281 HA ALA B 17 -3.440 -20.347 34.895 1.00 63.23 B H +ATOM 282 HB1 ALA B 17 -4.377 -18.467 33.888 1.00 59.66 B H +ATOM 283 HB2 ALA B 17 -3.651 -19.338 32.776 1.00 59.66 B H +ATOM 284 HB3 ALA B 17 -5.232 -19.392 32.920 1.00 59.66 B H +ATOM 285 N LYS B 18 -5.212 -19.754 36.482 1.00 52.48 B N +ANISOU 285 N LYS B 18 9372 6245 4324 -1527 793 662 B N +ATOM 286 CA LYS B 18 -6.213 -19.587 37.521 1.00 51.83 B C +ANISOU 286 CA LYS B 18 9408 6242 4042 -1673 1035 692 B C +ATOM 287 C LYS B 18 -7.075 -18.358 37.248 1.00 52.08 B C +ANISOU 287 C LYS B 18 9321 6384 4084 -1636 1271 495 B C +ATOM 288 O LYS B 18 -6.593 -17.349 36.724 1.00 54.64 B O +ANISOU 288 O LYS B 18 9564 6747 4450 -1519 1227 353 B O +ATOM 289 CB LYS B 18 -5.531 -19.443 38.888 1.00 58.65 B C +ANISOU 289 CB LYS B 18 10532 7163 4588 -1770 972 793 B C +ATOM 290 CG LYS B 18 -4.740 -20.688 39.334 1.00 69.70 B C +ANISOU 290 CG LYS B 18 12072 8455 5955 -1824 744 1018 B C +ATOM 291 CD LYS B 18 -4.049 -20.473 40.687 1.00 89.92 B C +ANISOU 291 CD LYS B 18 14885 11097 8185 -1921 680 1118 B C +ATOM 292 CE LYS B 18 -3.275 -21.707 41.151 1.00100.22 B C +ANISOU 292 CE LYS B 18 16327 12292 9461 -1972 446 1358 B C +ATOM 293 NZ LYS B 18 -2.585 -21.484 42.466 1.00106.48 B N +ANISOU 293 NZ LYS B 18 17358 13181 9917 -2068 376 1462 B N +ATOM 294 H LYS B 18 -4.472 -19.353 36.661 1.00 62.99 B H +ATOM 295 HA LYS B 18 -6.794 -20.363 37.546 1.00 62.20 B H +ATOM 296 HB2 LYS B 18 -4.910 -18.699 38.848 1.00 70.39 B H +ATOM 297 HB3 LYS B 18 -6.212 -19.272 39.558 1.00 70.39 B H +ATOM 298 HG2 LYS B 18 -5.347 -21.439 39.420 1.00 83.65 B H +ATOM 299 HG3 LYS B 18 -4.058 -20.887 38.674 1.00 83.65 B H +ATOM 300 HD2 LYS B 18 -3.422 -19.737 40.610 1.00107.92 B H +ATOM 301 HD3 LYS B 18 -4.719 -20.269 41.357 1.00107.92 B H +ATOM 302 HE2 LYS B 18 -3.891 -22.448 41.256 1.00120.28 B H +ATOM 303 HE3 LYS B 18 -2.600 -21.927 40.490 1.00120.28 B H +ATOM 304 HZ1 LYS B 18 -2.148 -22.220 42.710 1.00127.78 B H +ATOM 305 HZ2 LYS B 18 -2.004 -20.814 42.396 1.00127.78 B H +ATOM 306 HZ3 LYS B 18 -3.183 -21.282 43.094 1.00127.78 B H +ATOM 307 N PRO B 19 -8.361 -18.394 37.605 1.00 60.32 B N +ANISOU 307 N PRO B 19 10347 7480 5093 -1736 1524 480 B N +ATOM 308 CA PRO B 19 -9.207 -17.208 37.397 1.00 59.30 B C +ANISOU 308 CA PRO B 19 10101 7451 4978 -1698 1751 287 B C +ATOM 309 C PRO B 19 -8.730 -16.020 38.220 1.00 60.74 B C +ANISOU 309 C PRO B 19 10416 7735 4929 -1704 1781 193 B C +ATOM 310 O PRO B 19 -8.202 -16.171 39.321 1.00 55.57 B O +ANISOU 310 O PRO B 19 9972 7116 4027 -1803 1727 286 B O +ATOM 311 CB PRO B 19 -10.602 -17.663 37.854 1.00 63.55 B C +ANISOU 311 CB PRO B 19 10635 8029 5483 -1834 2003 316 B C +ATOM 312 CG PRO B 19 -10.538 -19.167 37.930 1.00 65.67 B C +ANISOU 312 CG PRO B 19 10959 8190 5803 -1916 1895 520 B C +ATOM 313 CD PRO B 19 -9.107 -19.511 38.229 1.00 60.65 B C +ANISOU 313 CD PRO B 19 10471 7490 5083 -1891 1616 639 B C +ATOM 314 HA PRO B 19 -9.224 -16.975 36.456 1.00 71.17 B H +ATOM 315 HB2 PRO B 19 -10.802 -17.283 38.724 1.00 76.27 B H +ATOM 316 HB3 PRO B 19 -11.267 -17.379 37.208 1.00 76.27 B H +ATOM 317 HG2 PRO B 19 -11.121 -19.482 38.638 1.00 78.82 B H +ATOM 318 HG3 PRO B 19 -10.811 -19.547 37.081 1.00 78.82 B H +ATOM 319 HD2 PRO B 19 -8.950 -19.540 39.186 1.00 72.79 B H +ATOM 320 HD3 PRO B 19 -8.863 -20.359 37.826 1.00 72.79 B H +ATOM 321 N VAL B 20 -8.919 -14.831 37.660 1.00 58.14 B N +ANISOU 321 N VAL B 20 9952 7451 4688 -1598 1864 7 B N +ATOM 322 CA VAL B 20 -8.728 -13.585 38.397 1.00 60.32 B C +ANISOU 322 CA VAL B 20 10319 7823 4776 -1606 1947 -121 B C +ATOM 323 C VAL B 20 -9.934 -13.375 39.292 1.00 62.55 B C +ANISOU 323 C VAL B 20 10648 8204 4914 -1737 2228 -172 B C +ATOM 324 O VAL B 20 -11.079 -13.484 38.843 1.00 66.29 B O +ANISOU 324 O VAL B 20 10976 8683 5530 -1740 2406 -221 B O +ATOM 325 CB VAL B 20 -8.547 -12.401 37.424 1.00 57.77 B C +ANISOU 325 CB VAL B 20 9823 7497 4631 -1446 1935 -296 B C +ATOM 326 CG1 VAL B 20 -8.370 -11.099 38.193 1.00 63.50 B C +ANISOU 326 CG1 VAL B 20 10637 8306 5184 -1455 2026 -440 B C +ATOM 327 CG2 VAL B 20 -7.378 -12.655 36.521 1.00 58.82 B C +ANISOU 327 CG2 VAL B 20 9899 7550 4900 -1329 1661 -247 B C +ATOM 328 H VAL B 20 -9.161 -14.716 36.843 1.00 69.78 B H +ATOM 329 HA VAL B 20 -7.932 -13.648 38.948 1.00 72.39 B H +ATOM 330 HB VAL B 20 -9.342 -12.311 36.876 1.00 69.34 B H +ATOM 331 HG11 VAL B 20 -8.091 -10.403 37.577 1.00 76.21 B H +ATOM 332 HG12 VAL B 20 -9.215 -10.857 38.603 1.00 76.21 B H +ATOM 333 HG13 VAL B 20 -7.694 -11.225 38.877 1.00 76.21 B H +ATOM 334 HG21 VAL B 20 -7.219 -11.866 35.980 1.00 70.60 B H +ATOM 335 HG22 VAL B 20 -6.596 -12.848 37.062 1.00 70.60 B H +ATOM 336 HG23 VAL B 20 -7.579 -13.413 35.950 1.00 70.60 B H +ATOM 337 N GLU B 21 -9.689 -13.095 40.565 1.00 64.84 B N +ANISOU 337 N GLU B 21 11136 8586 4915 -1851 2272 -165 B N +ATOM 338 CA GLU B 21 -10.774 -12.855 41.504 1.00 75.19 B C +ANISOU 338 CA GLU B 21 12413 9993 6163 -1937 2464 -224 B C +ATOM 339 C GLU B 21 -11.022 -11.379 41.747 1.00 75.87 B C +ANISOU 339 C GLU B 21 12401 10148 6280 -1860 2560 -443 B C +ATOM 340 O GLU B 21 -12.151 -10.999 42.067 1.00 80.21 B O +ANISOU 340 O GLU B 21 12844 10757 6875 -1883 2744 -543 B O +ATOM 341 CB GLU B 21 -10.477 -13.564 42.825 1.00 80.32 B C +ANISOU 341 CB GLU B 21 13248 10699 6571 -2082 2399 -68 B C +ATOM 342 CG GLU B 21 -10.443 -15.085 42.664 1.00 91.12 B C +ANISOU 342 CG GLU B 21 14700 11985 7935 -2172 2321 165 B C +ATOM 343 CD GLU B 21 -10.130 -15.821 43.947 1.00108.61 B C +ANISOU 343 CD GLU B 21 17089 14249 9929 -2311 2239 341 B C +ATOM 344 OE1 GLU B 21 -9.764 -15.164 44.943 1.00116.24 B O +ANISOU 344 OE1 GLU B 21 18119 15321 10725 -2333 2221 284 B O +ATOM 345 OE2 GLU B 21 -10.253 -17.066 43.956 1.00111.98 B O +ANISOU 345 OE2 GLU B 21 17577 14607 10362 -2398 2190 539 B O +ATOM 346 H GLU B 21 -8.902 -13.038 40.908 1.00 77.82 B H +ATOM 347 HA GLU B 21 -11.599 -13.230 41.156 1.00 90.24 B H +ATOM 348 HB2 GLU B 21 -9.612 -13.274 43.154 1.00 96.40 B H +ATOM 349 HB3 GLU B 21 -11.168 -13.342 43.468 1.00 96.40 B H +ATOM 350 HG2 GLU B 21 -11.311 -15.387 42.354 1.00109.35 B H +ATOM 351 HG3 GLU B 21 -9.760 -15.317 42.016 1.00109.35 B H +ATOM 352 N VAL B 22 -10.005 -10.541 41.564 1.00 72.70 B N +ANISOU 352 N VAL B 22 12023 9731 5869 -1766 2433 -519 B N +ATOM 353 CA VAL B 22 -10.130 -9.100 41.741 1.00 75.02 B C +ANISOU 353 CA VAL B 22 12224 10068 6213 -1688 2505 -721 B C +ATOM 354 C VAL B 22 -9.377 -8.415 40.609 1.00 67.87 B C +ANISOU 354 C VAL B 22 11241 9083 5462 -1539 2393 -796 B C +ATOM 355 O VAL B 22 -8.207 -8.726 40.367 1.00 66.55 B O +ANISOU 355 O VAL B 22 11177 8875 5234 -1516 2197 -713 B O +ATOM 356 CB VAL B 22 -9.587 -8.644 43.109 1.00 72.11 B C +ANISOU 356 CB VAL B 22 11984 9793 5621 -1758 2464 -744 B C +ATOM 357 CG1 VAL B 22 -9.664 -7.129 43.230 1.00 74.10 B C +ANISOU 357 CG1 VAL B 22 12137 10073 5944 -1674 2532 -957 B C +ATOM 358 CG2 VAL B 22 -10.366 -9.317 44.228 1.00 76.26 B C +ANISOU 358 CG2 VAL B 22 12575 10413 5987 -1911 2577 -669 B C +ATOM 359 H VAL B 22 -9.216 -10.791 41.332 1.00 87.25 B H +ATOM 360 HA VAL B 22 -11.064 -8.844 41.685 1.00 90.04 B H +ATOM 361 HB VAL B 22 -8.656 -8.904 43.190 1.00 86.54 B H +ATOM 362 HG11 VAL B 22 -9.550 -6.880 44.160 1.00 88.93 B H +ATOM 363 HG12 VAL B 22 -8.960 -6.734 42.693 1.00 88.93 B H +ATOM 364 HG13 VAL B 22 -10.531 -6.831 42.911 1.00 88.93 B H +ATOM 365 HG21 VAL B 22 -10.029 -9.002 45.081 1.00 91.52 B H +ATOM 366 HG22 VAL B 22 -11.305 -9.089 44.140 1.00 91.52 B H +ATOM 367 HG23 VAL B 22 -10.251 -10.277 44.160 1.00 91.52 B H +ATOM 368 N VAL B 23 -10.038 -7.492 39.914 1.00 64.95 B N +ANISOU 368 N VAL B 23 10685 8693 5300 -1436 2505 -947 B N +ATOM 369 CA VAL B 23 -9.437 -6.732 38.836 1.00 62.53 B C +ANISOU 369 CA VAL B 23 10282 8320 5158 -1295 2414 -1025 B C +ATOM 370 C VAL B 23 -8.936 -5.425 39.447 1.00 73.20 B C +ANISOU 370 C VAL B 23 11650 9698 6466 -1256 2389 -1159 B C +ATOM 371 O VAL B 23 -9.633 -4.405 39.432 1.00 79.56 B O +ANISOU 371 O VAL B 23 12325 10509 7397 -1202 2514 -1302 B O +ATOM 372 CB VAL B 23 -10.408 -6.501 37.681 1.00 68.89 B C +ANISOU 372 CB VAL B 23 10861 9085 6230 -1202 2532 -1090 B C +ATOM 373 CG1 VAL B 23 -9.712 -5.774 36.516 1.00 64.90 B C +ANISOU 373 CG1 VAL B 23 10253 8516 5891 -1060 2420 -1152 B C +ATOM 374 CG2 VAL B 23 -10.972 -7.838 37.200 1.00 67.04 B C +ANISOU 374 CG2 VAL B 23 10603 8835 6034 -1256 2573 -962 B C +ATOM 375 H VAL B 23 -10.861 -7.286 40.056 1.00 77.95 B H +ATOM 376 HA VAL B 23 -8.671 -7.221 38.496 1.00 75.05 B H +ATOM 377 HB VAL B 23 -11.138 -5.943 37.992 1.00 82.68 B H +ATOM 378 HG11 VAL B 23 -10.328 -5.711 35.769 1.00 77.90 B H +ATOM 379 HG12 VAL B 23 -9.454 -4.885 36.807 1.00 77.90 B H +ATOM 380 HG13 VAL B 23 -8.925 -6.277 36.254 1.00 77.90 B H +ATOM 381 HG21 VAL B 23 -11.465 -7.696 36.378 1.00 80.46 B H +ATOM 382 HG22 VAL B 23 -10.237 -8.452 37.043 1.00 80.46 B H +ATOM 383 HG23 VAL B 23 -11.561 -8.196 37.882 1.00 80.46 B H +ATOM 384 N ASP B 24 -7.730 -5.462 40.004 1.00 72.22 B N +ANISOU 384 N ASP B 24 11680 9589 6171 -1282 2221 -1110 B N +ATOM 385 CA ASP B 24 -7.139 -4.309 40.653 1.00 74.65 B C +ANISOU 385 CA ASP B 24 12013 9928 6424 -1256 2183 -1227 B C +ATOM 386 C ASP B 24 -6.142 -3.630 39.716 1.00 75.50 B C +ANISOU 386 C ASP B 24 12071 9962 6652 -1132 2026 -1271 B C +ATOM 387 O ASP B 24 -5.971 -4.011 38.556 1.00 69.30 B O +ANISOU 387 O ASP B 24 11223 9113 5994 -1065 1954 -1221 B O +ATOM 388 CB ASP B 24 -6.475 -4.723 41.973 1.00 80.58 B C +ANISOU 388 CB ASP B 24 12945 10759 6911 -1366 2103 -1150 B C +ATOM 389 CG ASP B 24 -5.623 -5.974 41.836 1.00 83.78 B C +ANISOU 389 CG ASP B 24 13483 11141 7208 -1405 1916 -957 B C +ATOM 390 OD1 ASP B 24 -4.890 -6.091 40.836 1.00 68.49 B O +ANISOU 390 OD1 ASP B 24 11525 9129 5370 -1319 1766 -924 B O +ATOM 391 OD2 ASP B 24 -5.684 -6.831 42.748 1.00 88.48 B O +ANISOU 391 OD2 ASP B 24 14201 11795 7624 -1523 1914 -838 B O +ATOM 392 H ASP B 24 -7.228 -6.160 40.015 1.00 86.67 B H +ATOM 393 HA ASP B 24 -7.840 -3.671 40.857 1.00 89.60 B H +ATOM 394 HB2 ASP B 24 -5.902 -4.002 42.278 1.00 96.70 B H +ATOM 395 HB3 ASP B 24 -7.164 -4.900 42.632 1.00 96.70 B H +ATOM 396 N ASP B 25 -5.480 -2.592 40.231 1.00 76.62 B N +ANISOU 396 N ASP B 25 11975 8439 8697 -1243 -558 -1213 B N +ATOM 397 CA ASP B 25 -4.513 -1.861 39.420 1.00 80.22 B C +ANISOU 397 CA ASP B 25 12255 8898 9328 -1229 -675 -1113 B C +ATOM 398 C ASP B 25 -3.306 -2.722 39.075 1.00 73.15 B C +ANISOU 398 C ASP B 25 11320 8067 8407 -1200 -779 -990 B C +ATOM 399 O ASP B 25 -2.662 -2.493 38.044 1.00 70.25 B O +ANISOU 399 O ASP B 25 10782 7731 8177 -1177 -828 -885 B O +ATOM 400 CB ASP B 25 -4.060 -0.593 40.149 1.00 86.71 B C +ANISOU 400 CB ASP B 25 13092 9633 10219 -1276 -783 -1182 B C +ATOM 401 CG ASP B 25 -5.171 0.428 40.286 1.00102.95 B C +ANISOU 401 CG ASP B 25 15145 11621 12350 -1300 -690 -1294 B C +ATOM 402 OD1 ASP B 25 -6.285 0.166 39.785 1.00101.24 B O +ANISOU 402 OD1 ASP B 25 14907 11425 12136 -1278 -545 -1317 B O +ATOM 403 OD2 ASP B 25 -4.928 1.494 40.899 1.00101.79 B O +ANISOU 403 OD2 ASP B 25 15013 11399 12264 -1340 -763 -1364 B O +ATOM 404 H ASP B 25 -5.573 -2.297 41.034 1.00 91.95 B H +ATOM 405 HA ASP B 25 -4.944 -1.596 38.593 1.00 96.28 B H +ATOM 406 HB2 ASP B 25 -3.757 -0.829 41.039 1.00104.06 B H +ATOM 407 HB3 ASP B 25 -3.335 -0.183 39.650 1.00104.06 B H +ATOM 408 N ALA B 26 -2.975 -3.698 39.925 1.00 66.91 B N +ANISOU 408 N ALA B 26 10685 7293 7444 -1202 -814 -1003 B N +ATOM 409 CA ALA B 26 -1.925 -4.647 39.579 1.00 70.77 B C +ANISOU 409 CA ALA B 26 11139 7845 7905 -1167 -902 -891 B C +ATOM 410 C ALA B 26 -2.320 -5.502 38.376 1.00 66.68 B C +ANISOU 410 C ALA B 26 10513 7408 7416 -1121 -790 -803 B C +ATOM 411 O ALA B 26 -1.454 -5.889 37.583 1.00 64.76 B O +ANISOU 411 O ALA B 26 10146 7219 7240 -1091 -854 -694 B O +ATOM 412 CB ALA B 26 -1.603 -5.535 40.775 1.00 67.91 B C +ANISOU 412 CB ALA B 26 10982 7477 7345 -1175 -958 -926 B C +ATOM 413 H ALA B 26 -3.339 -3.827 40.694 1.00 80.30 B H +ATOM 414 HA ALA B 26 -1.122 -4.153 39.350 1.00 84.94 B H +ATOM 415 HB1 ALA B 26 -0.892 -6.148 40.531 1.00 81.51 B H +ATOM 416 HB2 ALA B 26 -1.318 -4.977 41.516 1.00 81.51 B H +ATOM 417 HB3 ALA B 26 -2.398 -6.033 41.023 1.00 81.51 B H +ATOM 418 N VAL B 27 -3.607 -5.815 38.231 1.00 60.09 B N +ANISOU 418 N VAL B 27 9719 6584 6530 -1116 -623 -857 B N +ATOM 419 CA VAL B 27 -4.053 -6.520 37.035 1.00 58.08 B C +ANISOU 419 CA VAL B 27 9347 6406 6314 -1073 -512 -783 B C +ATOM 420 C VAL B 27 -3.946 -5.605 35.820 1.00 59.52 B C +ANISOU 420 C VAL B 27 9318 6602 6695 -1060 -520 -718 B C +ATOM 421 O VAL B 27 -3.452 -6.017 34.761 1.00 54.94 B O +ANISOU 421 O VAL B 27 8600 6090 6186 -1028 -529 -608 B O +ATOM 422 CB VAL B 27 -5.483 -7.054 37.228 1.00 54.35 B C +ANISOU 422 CB VAL B 27 8972 5940 5740 -1073 -330 -871 B C +ATOM 423 CG1 VAL B 27 -6.061 -7.560 35.918 1.00 47.23 B C +ANISOU 423 CG1 VAL B 27 7928 5115 4903 -1030 -211 -809 B C +ATOM 424 CG2 VAL B 27 -5.487 -8.171 38.262 1.00 60.41 B C +ANISOU 424 CG2 VAL B 27 9944 6706 6304 -1083 -316 -908 B C +ATOM 425 H VAL B 27 -4.227 -5.634 38.799 1.00 72.12 B H +ATOM 426 HA VAL B 27 -3.474 -7.284 36.889 1.00 69.71 B H +ATOM 427 HB VAL B 27 -6.043 -6.326 37.541 1.00 65.24 B H +ATOM 428 HG11 VAL B 27 -6.839 -8.107 36.107 1.00 56.69 B H +ATOM 429 HG12 VAL B 27 -6.315 -6.801 35.370 1.00 56.69 B H +ATOM 430 HG13 VAL B 27 -5.389 -8.088 35.459 1.00 56.69 B H +ATOM 431 HG21 VAL B 27 -6.400 -8.465 38.406 1.00 72.50 B H +ATOM 432 HG22 VAL B 27 -4.951 -8.909 37.931 1.00 72.50 B H +ATOM 433 HG23 VAL B 27 -5.112 -7.835 39.091 1.00 72.50 B H +ATOM 434 N ARG B 28 -4.378 -4.346 35.961 1.00 59.60 B N +ANISOU 434 N ARG B 28 9304 6544 6799 -1086 -518 -783 B N +ATOM 435 CA ARG B 28 -4.321 -3.406 34.847 1.00 62.62 B C +ANISOU 435 CA ARG B 28 9498 6926 7368 -1076 -526 -721 B C +ATOM 436 C ARG B 28 -2.889 -3.094 34.440 1.00 57.65 B C +ANISOU 436 C ARG B 28 8760 6307 6839 -1080 -676 -618 B C +ATOM 437 O ARG B 28 -2.626 -2.830 33.259 1.00 53.52 B O +ANISOU 437 O ARG B 28 8071 5821 6444 -1062 -675 -523 B O +ATOM 438 CB ARG B 28 -5.052 -2.116 35.213 1.00 70.27 B C +ANISOU 438 CB ARG B 28 10479 7806 8413 -1105 -502 -820 B C +ATOM 439 CG ARG B 28 -6.545 -2.299 35.387 1.00 78.49 B C +ANISOU 439 CG ARG B 28 11589 8840 9394 -1099 -343 -923 B C +ATOM 440 CD ARG B 28 -7.235 -1.011 35.842 1.00 88.82 B C +ANISOU 440 CD ARG B 28 12912 10053 10781 -1128 -327 -1033 B C +ATOM 441 NE ARG B 28 -8.614 -1.280 36.226 1.00 90.20 B N +ANISOU 441 NE ARG B 28 13176 10218 10879 -1130 -177 -1155 B N +ATOM 442 CZ ARG B 28 -9.040 -1.395 37.477 1.00 94.33 B C +ANISOU 442 CZ ARG B 28 13871 10694 11275 -1170 -145 -1283 B C +ATOM 443 NH1 ARG B 28 -8.236 -1.173 38.507 1.00 85.20 B N +ANISOU 443 NH1 ARG B 28 12822 9494 10057 -1211 -257 -1311 B N +ATOM 444 NH2 ARG B 28 -10.306 -1.740 37.699 1.00 96.62 B N +ANISOU 444 NH2 ARG B 28 14228 10984 11500 -1171 6 -1389 B N +ATOM 445 H ARG B 28 -4.705 -4.018 36.686 1.00 71.54 B H +ATOM 446 HA ARG B 28 -4.769 -3.805 34.085 1.00 75.15 B H +ATOM 447 HB2 ARG B 28 -4.694 -1.780 36.049 1.00 84.33 B H +ATOM 448 HB3 ARG B 28 -4.913 -1.466 34.506 1.00 84.33 B H +ATOM 449 HG2 ARG B 28 -6.935 -2.567 34.540 1.00 94.20 B H +ATOM 450 HG3 ARG B 28 -6.707 -2.981 36.058 1.00 94.20 B H +ATOM 451 HD2 ARG B 28 -6.766 -0.644 36.608 1.00106.59 B H +ATOM 452 HD3 ARG B 28 -7.236 -0.369 35.115 1.00106.59 B H +ATOM 453 HE ARG B 28 -9.194 -1.371 35.597 1.00108.26 B H +ATOM 454 HH11 ARG B 28 -7.417 -0.948 38.373 1.00102.25 B H +ATOM 455 HH12 ARG B 28 -8.534 -1.253 39.310 1.00102.25 B H +ATOM 456 HH21 ARG B 28 -10.835 -1.884 37.037 1.00115.96 B H +ATOM 457 HH22 ARG B 28 -10.595 -1.818 38.506 1.00115.96 B H +ATOM 458 N GLN B 29 -1.960 -3.112 35.393 1.00 51.92 B N +ANISOU 458 N GLN B 29 8122 5549 6055 -1104 -803 -638 B N +ATOM 459 CA GLN B 29 -0.557 -2.914 35.060 1.00 53.07 B C +ANISOU 459 CA GLN B 29 8164 5707 6292 -1108 -947 -552 B C +ATOM 460 C GLN B 29 -0.023 -4.083 34.248 1.00 54.41 B C +ANISOU 460 C GLN B 29 8258 5972 6443 -1070 -941 -444 B C +ATOM 461 O GLN B 29 0.745 -3.886 33.292 1.00 52.20 B O +ANISOU 461 O GLN B 29 7818 5726 6288 -1064 -989 -350 B O +ATOM 462 CB GLN B 29 0.268 -2.743 36.336 1.00 57.13 B C +ANISOU 462 CB GLN B 29 8799 6168 6738 -1139 -1087 -611 B C +ATOM 463 CG GLN B 29 1.736 -2.472 36.069 1.00 68.77 B C +ANISOU 463 CG GLN B 29 10165 7650 8316 -1146 -1242 -539 B C +ATOM 464 CD GLN B 29 1.939 -1.249 35.194 1.00 77.90 B C +ANISOU 464 CD GLN B 29 11152 8776 9670 -1166 -1254 -498 B C +ATOM 465 NE2 GLN B 29 2.646 -1.424 34.079 1.00 72.57 B N +ANISOU 465 NE2 GLN B 29 10317 8158 9100 -1151 -1275 -387 B N +ATOM 466 OE1 GLN B 29 1.450 -0.164 35.506 1.00 84.48 B O +ANISOU 466 OE1 GLN B 29 12001 9536 10562 -1195 -1240 -566 B O +ATOM 467 H GLN B 29 -2.115 -3.236 36.230 1.00 62.31 B H +ATOM 468 HA GLN B 29 -0.473 -2.105 34.533 1.00 63.69 B H +ATOM 469 HB2 GLN B 29 -0.086 -1.993 36.840 1.00 68.56 B H +ATOM 470 HB3 GLN B 29 0.205 -3.555 36.862 1.00 68.56 B H +ATOM 471 HG2 GLN B 29 2.191 -2.321 36.912 1.00 82.54 B H +ATOM 472 HG3 GLN B 29 2.123 -3.237 35.615 1.00 82.54 B H +ATOM 473 HE21 GLN B 29 2.961 -2.201 33.887 1.00 87.10 B H +ATOM 474 HE22 GLN B 29 2.788 -0.760 33.551 1.00 87.10 B H +ATOM 475 N LEU B 30 -0.424 -5.303 34.617 1.00 44.43 B N +ANISOU 475 N LEU B 30 7108 4749 5026 -1046 -878 -461 B N +ATOM 476 CA LEU B 30 -0.061 -6.480 33.843 1.00 44.86 B C +ANISOU 476 CA LEU B 30 7094 4893 5059 -1007 -854 -368 B C +ATOM 477 C LEU B 30 -0.654 -6.408 32.442 1.00 50.45 B C +ANISOU 477 C LEU B 30 7642 5658 5869 -986 -739 -305 B C +ATOM 478 O LEU B 30 0.017 -6.721 31.447 1.00 44.46 B O +ANISOU 478 O LEU B 30 6741 4963 5190 -969 -760 -206 B O +ATOM 479 CB LEU B 30 -0.549 -7.746 34.555 1.00 50.70 B C +ANISOU 479 CB LEU B 30 8001 5652 5612 -989 -790 -408 B C +ATOM 480 CG LEU B 30 -0.454 -9.038 33.747 1.00 49.90 B C +ANISOU 480 CG LEU B 30 7839 5641 5480 -946 -730 -327 B C +ATOM 481 CD1 LEU B 30 1.008 -9.328 33.437 1.00 50.93 B C +ANISOU 481 CD1 LEU B 30 7875 5803 5674 -935 -873 -239 B C +ATOM 482 CD2 LEU B 30 -1.103 -10.233 34.466 1.00 55.69 B C +ANISOU 482 CD2 LEU B 30 8748 6382 6028 -932 -646 -375 B C +ATOM 483 H LEU B 30 -0.905 -5.472 35.309 1.00 53.33 B H +ATOM 484 HA LEU B 30 0.905 -6.523 33.770 1.00 53.85 B H +ATOM 485 HB2 LEU B 30 -0.018 -7.867 35.357 1.00 60.85 B H +ATOM 486 HB3 LEU B 30 -1.482 -7.621 34.791 1.00 60.85 B H +ATOM 487 HG LEU B 30 -0.947 -8.922 32.920 1.00 59.89 B H +ATOM 488 HD11 LEU B 30 1.067 -10.158 32.938 1.00 61.13 B H +ATOM 489 HD12 LEU B 30 1.369 -8.598 32.909 1.00 61.13 B H +ATOM 490 HD13 LEU B 30 1.498 -9.407 34.270 1.00 61.13 B H +ATOM 491 HD21 LEU B 30 -1.114 -10.995 33.866 1.00 66.83 B H +ATOM 492 HD22 LEU B 30 -0.586 -10.444 35.259 1.00 66.83 B H +ATOM 493 HD23 LEU B 30 -2.010 -9.997 34.717 1.00 66.83 B H +ATOM 494 N ILE B 31 -1.930 -6.025 32.355 1.00 45.40 B N +ANISOU 494 N ILE B 31 7026 4998 5225 -986 -614 -367 B N +ATOM 495 CA ILE B 31 -2.571 -5.860 31.051 1.00 46.61 B C +ANISOU 495 CA ILE B 31 7032 5201 5475 -963 -511 -314 B C +ATOM 496 C ILE B 31 -1.797 -4.854 30.201 1.00 48.57 B C +ANISOU 496 C ILE B 31 7116 5441 5896 -976 -592 -232 B C +ATOM 497 O ILE B 31 -1.503 -5.105 29.020 1.00 44.99 B O +ANISOU 497 O ILE B 31 6519 5058 5516 -958 -571 -135 B O +ATOM 498 CB ILE B 31 -4.040 -5.444 31.241 1.00 42.89 B C +ANISOU 498 CB ILE B 31 6619 4695 4984 -962 -384 -412 B C +ATOM 499 CG1 ILE B 31 -4.861 -6.657 31.736 1.00 46.43 B C +ANISOU 499 CG1 ILE B 31 7198 5176 5268 -946 -269 -474 B C +ATOM 500 CG2 ILE B 31 -4.644 -4.916 29.965 1.00 44.27 B C +ANISOU 500 CG2 ILE B 31 6638 4899 5283 -941 -309 -364 B C +ATOM 501 CD1 ILE B 31 -6.201 -6.286 32.337 1.00 53.12 B C +ANISOU 501 CD1 ILE B 31 8144 5970 6068 -958 -159 -603 B C +ATOM 502 H ILE B 31 -2.440 -5.856 33.027 1.00 54.49 B H +ATOM 503 HA ILE B 31 -2.557 -6.708 30.581 1.00 55.94 B H +ATOM 504 HB ILE B 31 -4.061 -4.732 31.899 1.00 51.49 B H +ATOM 505 HG12 ILE B 31 -5.027 -7.248 30.985 1.00 55.73 B H +ATOM 506 HG13 ILE B 31 -4.350 -7.121 32.417 1.00 55.73 B H +ATOM 507 HG21 ILE B 31 -5.609 -4.892 30.058 1.00 53.13 B H +ATOM 508 HG22 ILE B 31 -4.305 -4.022 29.801 1.00 53.13 B H +ATOM 509 HG23 ILE B 31 -4.397 -5.502 29.232 1.00 53.13 B H +ATOM 510 HD11 ILE B 31 -6.631 -7.089 32.670 1.00 63.75 B H +ATOM 511 HD12 ILE B 31 -6.059 -5.660 33.064 1.00 63.75 B H +ATOM 512 HD13 ILE B 31 -6.752 -5.876 31.651 1.00 63.75 B H +ATOM 513 N ASP B 32 -1.412 -3.724 30.796 1.00 41.77 B N +ANISOU 513 N ASP B 32 6275 4493 5101 -1013 -686 -272 B N +ATOM 514 CA ASP B 32 -0.668 -2.717 30.035 1.00 45.24 B C +ANISOU 514 CA ASP B 32 6567 4915 5709 -1032 -760 -198 B C +ATOM 515 C ASP B 32 0.666 -3.270 29.537 1.00 46.86 B C +ANISOU 515 C ASP B 32 6678 5180 5948 -1032 -849 -100 B C +ATOM 516 O ASP B 32 1.086 -2.977 28.409 1.00 43.42 B O +ANISOU 516 O ASP B 32 6089 4779 5629 -1034 -850 -8 B O +ATOM 517 CB ASP B 32 -0.447 -1.465 30.880 1.00 49.98 B C +ANISOU 517 CB ASP B 32 7216 5407 6367 -1074 -848 -268 B C +ATOM 518 CG ASP B 32 -1.541 -0.430 30.681 1.00 56.64 B C +ANISOU 518 CG ASP B 32 8045 6190 7285 -1077 -771 -316 B C +ATOM 519 OD1 ASP B 32 -2.161 -0.415 29.586 1.00 52.21 B O +ANISOU 519 OD1 ASP B 32 7384 5670 6782 -1050 -682 -261 B O +ATOM 520 OD2 ASP B 32 -1.766 0.398 31.593 1.00 54.21 B O +ANISOU 520 OD2 ASP B 32 7820 5793 6985 -1106 -804 -411 B O +ATOM 521 H ASP B 32 -1.565 -3.518 31.617 1.00 50.13 B H +ATOM 522 HA ASP B 32 -1.196 -2.465 29.262 1.00 54.31 B H +ATOM 523 HB2 ASP B 32 -0.434 -1.714 31.818 1.00 59.99 B H +ATOM 524 HB3 ASP B 32 0.399 -1.061 30.633 1.00 59.99 B H +ATOM 525 N ASP B 33 1.360 -4.069 30.365 1.00 44.66 B N +ANISOU 525 N ASP B 33 6490 4910 5569 -1030 -925 -121 B N +ATOM 526 CA ASP B 33 2.598 -4.679 29.893 1.00 43.56 B C +ANISOU 526 CA ASP B 33 6256 4829 5465 -1025 -1007 -37 B C +ATOM 527 C ASP B 33 2.319 -5.730 28.821 1.00 42.12 B C +ANISOU 527 C ASP B 33 5991 4750 5263 -988 -904 37 B C +ATOM 528 O ASP B 33 3.106 -5.880 27.883 1.00 40.37 B O +ANISOU 528 O ASP B 33 5625 4583 5130 -989 -931 125 B O +ATOM 529 CB ASP B 33 3.374 -5.304 31.048 1.00 47.57 B C +ANISOU 529 CB ASP B 33 6885 5321 5870 -1024 -1121 -79 B C +ATOM 530 CG ASP B 33 3.854 -4.264 32.058 1.00 56.81 B C +ANISOU 530 CG ASP B 33 8120 6398 7069 -1064 -1241 -150 B C +ATOM 531 OD1 ASP B 33 4.059 -3.085 31.683 1.00 51.74 B O +ANISOU 531 OD1 ASP B 33 7384 5711 6565 -1096 -1269 -139 B O +ATOM 532 OD2 ASP B 33 4.036 -4.636 33.230 1.00 57.54 B O +ANISOU 532 OD2 ASP B 33 8360 6459 7043 -1064 -1309 -215 B O +ATOM 533 H ASP B 33 1.139 -4.262 31.174 1.00 53.60 B H +ATOM 534 HA ASP B 33 3.150 -3.980 29.509 1.00 52.28 B H +ATOM 535 HB2 ASP B 33 2.799 -5.932 31.513 1.00 57.10 B H +ATOM 536 HB3 ASP B 33 4.152 -5.763 30.696 1.00 57.10 B H +ATOM 537 N MET B 34 1.206 -6.468 28.944 1.00 40.15 B N +ANISOU 537 N MET B 34 5827 4528 4899 -959 -783 -1 B N +ATOM 538 CA MET B 34 0.859 -7.452 27.923 1.00 40.21 B C +ANISOU 538 CA MET B 34 5754 4634 4889 -924 -677 60 B C +ATOM 539 C MET B 34 0.613 -6.778 26.580 1.00 37.94 B C +ANISOU 539 C MET B 34 5301 4380 4733 -927 -619 130 B C +ATOM 540 O MET B 34 1.044 -7.286 25.538 1.00 38.60 B O +ANISOU 540 O MET B 34 5258 4546 4864 -917 -598 215 B O +ATOM 541 CB MET B 34 -0.366 -8.269 28.364 1.00 39.94 B C +ANISOU 541 CB MET B 34 5848 4614 4714 -897 -550 -8 B C +ATOM 542 CG MET B 34 -0.092 -9.224 29.498 1.00 45.39 B C +ANISOU 542 CG MET B 34 6698 5290 5259 -890 -592 -54 B C +ATOM 543 SD MET B 34 -1.555 -10.110 30.067 1.00 44.67 B S +ANISOU 543 SD MET B 34 6768 5203 5002 -870 -432 -143 B S +ATOM 544 CE MET B 34 -1.967 -11.056 28.613 1.00 42.53 B C +ANISOU 544 CE MET B 34 6352 5049 4758 -831 -301 -69 B C +ATOM 545 H MET B 34 0.649 -6.417 29.597 1.00 48.19 B H +ATOM 546 HA MET B 34 1.597 -8.074 27.826 1.00 48.26 B H +ATOM 547 HB2 MET B 34 -1.060 -7.656 28.655 1.00 47.94 B H +ATOM 548 HB3 MET B 34 -0.680 -8.791 27.608 1.00 47.94 B H +ATOM 549 HG2 MET B 34 0.557 -9.882 29.203 1.00 54.48 B H +ATOM 550 HG3 MET B 34 0.262 -8.723 30.250 1.00 54.48 B H +ATOM 551 HE1 MET B 34 -2.715 -11.639 28.816 1.00 51.04 B H +ATOM 552 HE2 MET B 34 -2.208 -10.447 27.897 1.00 51.04 B H +ATOM 553 HE3 MET B 34 -1.197 -11.585 28.352 1.00 51.04 B H +ATOM 554 N PHE B 35 -0.048 -5.617 26.581 1.00 38.21 B N +ANISOU 554 N PHE B 35 5336 4352 4831 -943 -597 96 B N +ATOM 555 CA PHE B 35 -0.286 -4.896 25.333 1.00 40.93 B C +ANISOU 555 CA PHE B 35 5534 4717 5299 -945 -552 167 B C +ATOM 556 C PHE B 35 1.026 -4.416 24.720 1.00 42.99 B C +ANISOU 556 C PHE B 35 5666 4984 5683 -977 -652 256 B C +ATOM 557 O PHE B 35 1.279 -4.607 23.522 1.00 39.68 B O +ANISOU 557 O PHE B 35 5114 4638 5326 -974 -617 346 B O +ATOM 558 CB PHE B 35 -1.206 -3.684 25.566 1.00 38.25 B C +ANISOU 558 CB PHE B 35 5231 4293 5011 -953 -524 107 B C +ATOM 559 CG PHE B 35 -2.679 -4.011 25.499 1.00 42.59 B C +ANISOU 559 CG PHE B 35 5830 4861 5490 -918 -389 47 B C +ATOM 560 CD1 PHE B 35 -3.247 -4.464 24.320 1.00 41.20 B C +ANISOU 560 CD1 PHE B 35 5556 4772 5328 -885 -289 103 B C +ATOM 561 CD2 PHE B 35 -3.490 -3.836 26.603 1.00 40.10 B C +ANISOU 561 CD2 PHE B 35 5658 4479 5101 -920 -360 -73 B C +ATOM 562 CE1 PHE B 35 -4.596 -4.772 24.251 1.00 43.67 B C +ANISOU 562 CE1 PHE B 35 5907 5104 5583 -852 -166 39 B C +ATOM 563 CE2 PHE B 35 -4.844 -4.121 26.541 1.00 40.73 B C +ANISOU 563 CE2 PHE B 35 5777 4573 5125 -890 -231 -139 B C +ATOM 564 CZ PHE B 35 -5.397 -4.599 25.359 1.00 41.82 B C +ANISOU 564 CZ PHE B 35 5811 4799 5281 -854 -135 -84 B C +ATOM 565 H PHE B 35 -0.363 -5.231 27.282 1.00 45.80 B H +ATOM 566 HA PHE B 35 -0.727 -5.505 24.720 1.00 49.12 B H +ATOM 567 HB2 PHE B 35 -1.023 -3.319 26.446 1.00 45.85 B H +ATOM 568 HB3 PHE B 35 -1.020 -3.017 24.886 1.00 45.85 B H +ATOM 569 HD1 PHE B 35 -2.714 -4.563 23.564 1.00 49.46 B H +ATOM 570 HD2 PHE B 35 -3.123 -3.523 27.398 1.00 48.14 B H +ATOM 571 HE1 PHE B 35 -4.961 -5.095 23.458 1.00 52.42 B H +ATOM 572 HE2 PHE B 35 -5.382 -3.993 27.288 1.00 48.89 B H +ATOM 573 HZ PHE B 35 -6.304 -4.801 25.316 1.00 50.20 B H +ATOM 574 N GLU B 36 1.870 -3.777 25.531 1.00 39.53 B N +ANISOU 574 N GLU B 36 5267 4471 5283 -1012 -774 226 B N +ATOM 575 CA GLU B 36 3.179 -3.354 25.050 1.00 44.94 B C +ANISOU 575 CA GLU B 36 5833 5157 6085 -1047 -872 297 B C +ATOM 576 C GLU B 36 3.948 -4.518 24.427 1.00 41.28 B C +ANISOU 576 C GLU B 36 5287 4794 5603 -1034 -874 364 B C +ATOM 577 O GLU B 36 4.530 -4.376 23.347 1.00 39.63 B O +ANISOU 577 O GLU B 36 4934 4632 5492 -1052 -871 449 B O +ATOM 578 CB GLU B 36 3.977 -2.737 26.202 1.00 48.71 B C +ANISOU 578 CB GLU B 36 6382 5546 6581 -1081 -1007 235 B C +ATOM 579 CG GLU B 36 5.093 -1.837 25.728 1.00 56.81 B C +ANISOU 579 CG GLU B 36 7284 6542 7759 -1128 -1095 288 B C +ATOM 580 CD GLU B 36 5.891 -1.205 26.868 1.00 65.22 B C +ANISOU 580 CD GLU B 36 8412 7521 8847 -1162 -1231 218 B C +ATOM 581 OE1 GLU B 36 5.355 -1.058 27.986 1.00 55.72 B O +ANISOU 581 OE1 GLU B 36 7351 6259 7560 -1156 -1247 125 B O +ATOM 582 OE2 GLU B 36 7.065 -0.855 26.629 1.00 54.55 B O +ANISOU 582 OE2 GLU B 36 6965 6163 7599 -1197 -1320 252 B O +ATOM 583 H GLU B 36 1.709 -3.580 26.352 1.00 47.45 B H +ATOM 584 HA GLU B 36 3.057 -2.678 24.365 1.00 53.94 B H +ATOM 585 HB2 GLU B 36 3.379 -2.209 26.752 1.00 58.47 B H +ATOM 586 HB3 GLU B 36 4.371 -3.450 26.730 1.00 58.47 B H +ATOM 587 HG2 GLU B 36 5.708 -2.358 25.188 1.00 68.18 B H +ATOM 588 HG3 GLU B 36 4.713 -1.119 25.198 1.00 68.18 B H +ATOM 589 N THR B 37 3.986 -5.667 25.117 1.00 39.65 B N +ANISOU 589 N THR B 37 5174 4619 5274 -1004 -881 325 B N +ATOM 590 CA THR B 37 4.676 -6.847 24.600 1.00 41.40 B C +ANISOU 590 CA THR B 37 5324 4931 5476 -986 -882 380 B C +ATOM 591 C THR B 37 4.061 -7.290 23.279 1.00 41.67 B C +ANISOU 591 C THR B 37 5251 5056 5524 -967 -751 446 B C +ATOM 592 O THR B 37 4.766 -7.576 22.309 1.00 39.94 B O +ANISOU 592 O THR B 37 4894 4905 5375 -978 -751 522 B O +ATOM 593 CB THR B 37 4.610 -7.991 25.605 1.00 38.72 B C +ANISOU 593 CB THR B 37 5124 4597 4991 -952 -899 323 B C +ATOM 594 CG2 THR B 37 5.452 -9.186 25.138 1.00 41.76 B C +ANISOU 594 CG2 THR B 37 5433 5065 5370 -933 -919 376 B C +ATOM 595 OG1 THR B 37 5.092 -7.542 26.881 1.00 45.51 B O +ANISOU 595 OG1 THR B 37 6098 5371 5824 -969 -1021 255 B O +ATOM 596 H THR B 37 3.620 -5.786 25.886 1.00 47.60 B H +ATOM 597 HA THR B 37 5.609 -6.620 24.460 1.00 49.69 B H +ATOM 598 HB THR B 37 3.689 -8.285 25.690 1.00 46.48 B H +ATOM 599 HG1 THR B 37 4.635 -6.889 27.147 1.00 54.63 B H +ATOM 600 HG21 THR B 37 5.482 -9.863 25.832 1.00 50.13 B H +ATOM 601 HG22 THR B 37 5.063 -9.573 24.337 1.00 50.13 B H +ATOM 602 HG23 THR B 37 6.357 -8.898 24.941 1.00 50.13 B H +ATOM 603 N MET B 38 2.728 -7.349 23.237 1.00 38.92 B N +ANISOU 603 N MET B 38 4965 4714 5110 -941 -637 413 B N +ATOM 604 CA MET B 38 2.012 -7.763 22.035 1.00 36.94 B C +ANISOU 604 CA MET B 38 4622 4552 4863 -918 -510 464 B C +ATOM 605 C MET B 38 2.296 -6.825 20.870 1.00 40.48 B C +ANISOU 605 C MET B 38 4922 5012 5446 -948 -509 548 B C +ATOM 606 O MET B 38 2.646 -7.271 19.765 1.00 40.76 B O +ANISOU 606 O MET B 38 4832 5135 5519 -950 -470 624 B O +ATOM 607 CB MET B 38 0.517 -7.802 22.366 1.00 37.98 B C +ANISOU 607 CB MET B 38 4855 4667 4910 -887 -402 393 B C +ATOM 608 CG MET B 38 -0.375 -8.329 21.250 1.00 37.95 B C +ANISOU 608 CG MET B 38 4772 4755 4891 -856 -266 427 B C +ATOM 609 SD MET B 38 -2.118 -7.843 21.481 1.00 41.07 B S +ANISOU 609 SD MET B 38 5251 5110 5242 -829 -155 341 B S +ATOM 610 CE MET B 38 -2.151 -6.165 20.927 1.00 38.56 B C +ANISOU 610 CE MET B 38 4855 4726 5070 -854 -200 383 B C +ATOM 611 H MET B 38 2.212 -7.153 23.897 1.00 46.72 B H +ATOM 612 HA MET B 38 2.298 -8.651 21.769 1.00 44.34 B H +ATOM 613 HB2 MET B 38 0.388 -8.375 23.138 1.00 45.59 B H +ATOM 614 HB3 MET B 38 0.224 -6.900 22.571 1.00 45.59 B H +ATOM 615 HG2 MET B 38 -0.070 -7.971 20.402 1.00 45.55 B H +ATOM 616 HG3 MET B 38 -0.329 -9.298 21.237 1.00 45.55 B H +ATOM 617 HE1 MET B 38 -3.063 -5.837 20.968 1.00 46.28 B H +ATOM 618 HE2 MET B 38 -1.581 -5.631 21.503 1.00 46.28 B H +ATOM 619 HE3 MET B 38 -1.826 -6.127 20.014 1.00 46.28 B H +ATOM 620 N TYR B 39 2.140 -5.515 21.084 1.00 40.49 B N +ANISOU 620 N TYR B 39 4939 4924 5520 -973 -549 534 B N +ATOM 621 CA TYR B 39 2.346 -4.586 19.978 1.00 43.40 B C +ANISOU 621 CA TYR B 39 5181 5296 6014 -1002 -544 618 B C +ATOM 622 C TYR B 39 3.779 -4.625 19.463 1.00 46.53 B C +ANISOU 622 C TYR B 39 5461 5723 6495 -1045 -618 689 B C +ATOM 623 O TYR B 39 4.015 -4.385 18.270 1.00 40.90 B O +ANISOU 623 O TYR B 39 4624 5059 5858 -1066 -583 775 B O +ATOM 624 CB TYR B 39 2.012 -3.163 20.408 1.00 43.28 B C +ANISOU 624 CB TYR B 39 5211 5166 6069 -1024 -584 586 B C +ATOM 625 CG TYR B 39 0.548 -2.869 20.583 1.00 37.90 B C +ANISOU 625 CG TYR B 39 4604 4453 5343 -987 -500 529 B C +ATOM 626 CD1 TYR B 39 -0.380 -3.138 19.572 1.00 36.46 B C +ANISOU 626 CD1 TYR B 39 4365 4343 5147 -953 -390 567 B C +ATOM 627 CD2 TYR B 39 0.094 -2.276 21.755 1.00 41.52 B C +ANISOU 627 CD2 TYR B 39 5186 4812 5779 -989 -533 431 B C +ATOM 628 CE1 TYR B 39 -1.718 -2.839 19.744 1.00 39.75 B C +ANISOU 628 CE1 TYR B 39 4842 4728 5533 -918 -318 505 B C +ATOM 629 CE2 TYR B 39 -1.240 -1.977 21.936 1.00 44.68 B C +ANISOU 629 CE2 TYR B 39 5649 5179 6148 -958 -455 368 B C +ATOM 630 CZ TYR B 39 -2.142 -2.259 20.940 1.00 48.33 B C +ANISOU 630 CZ TYR B 39 6050 5710 6602 -922 -350 403 B C +ATOM 631 OH TYR B 39 -3.460 -1.921 21.149 1.00 45.92 B O +ANISOU 631 OH TYR B 39 5802 5369 6278 -890 -279 329 B O +ATOM 632 H TYR B 39 1.922 -5.155 21.833 1.00 48.59 B H +ATOM 633 HA TYR B 39 1.748 -4.844 19.259 1.00 52.10 B H +ATOM 634 HB2 TYR B 39 2.445 -2.991 21.259 1.00 51.95 B H +ATOM 635 HB3 TYR B 39 2.351 -2.553 19.734 1.00 51.95 B H +ATOM 636 HD1 TYR B 39 -0.093 -3.523 18.775 1.00 43.70 B H +ATOM 637 HD2 TYR B 39 0.702 -2.076 22.430 1.00 49.84 B H +ATOM 638 HE1 TYR B 39 -2.331 -3.023 19.069 1.00 47.71 B H +ATOM 639 HE2 TYR B 39 -1.527 -1.585 22.729 1.00 53.63 B H +ATOM 640 HH TYR B 39 -3.908 -2.067 20.453 1.00 55.12 B H +ATOM 641 N GLU B 40 4.741 -4.906 20.339 1.00 41.34 B N +ANISOU 641 N GLU B 40 4842 5036 5828 -1059 -721 651 B N +ATOM 642 CA GLU B 40 6.148 -4.906 19.940 1.00 53.54 B C +ANISOU 642 CA GLU B 40 6275 6603 7466 -1100 -799 702 B C +ATOM 643 C GLU B 40 6.576 -6.203 19.261 1.00 48.47 B C +ANISOU 643 C GLU B 40 5550 6075 6791 -1084 -759 744 B C +ATOM 644 O GLU B 40 7.554 -6.199 18.510 1.00 46.99 B O +ANISOU 644 O GLU B 40 5234 5928 6693 -1121 -784 802 B O +ATOM 645 CB GLU B 40 7.034 -4.659 21.163 1.00 53.33 B C +ANISOU 645 CB GLU B 40 6317 6497 7450 -1119 -936 637 B C +ATOM 646 CG GLU B 40 8.483 -4.316 20.843 1.00 75.94 B C +ANISOU 646 CG GLU B 40 9061 9356 10435 -1171 -1030 673 B C +ATOM 647 CD GLU B 40 8.661 -2.872 20.394 1.00 95.28 B C +ANISOU 647 CD GLU B 40 11448 11739 13015 -1226 -1044 708 B C +ATOM 648 OE1 GLU B 40 7.735 -2.056 20.605 1.00 85.41 B O +ANISOU 648 OE1 GLU B 40 10268 10424 11760 -1220 -1010 689 B O +ATOM 649 OE2 GLU B 40 9.728 -2.555 19.825 1.00111.30 B O +ANISOU 649 OE2 GLU B 40 13358 13776 15155 -1275 -1087 753 B O +ATOM 650 H GLU B 40 4.607 -5.101 21.166 1.00 49.62 B H +ATOM 651 HA GLU B 40 6.287 -4.182 19.309 1.00 64.26 B H +ATOM 652 HB2 GLU B 40 6.663 -3.918 21.668 1.00 64.01 B H +ATOM 653 HB3 GLU B 40 7.038 -5.462 21.707 1.00 64.01 B H +ATOM 654 HG2 GLU B 40 9.023 -4.452 21.637 1.00 91.13 B H +ATOM 655 HG3 GLU B 40 8.794 -4.893 20.128 1.00 91.13 B H +ATOM 656 N ALA B 41 5.869 -7.300 19.496 1.00 40.15 B N +ANISOU 656 N ALA B 41 4565 5072 5618 -1033 -692 713 B N +ATOM 657 CA ALA B 41 6.295 -8.597 18.970 1.00 44.64 B C +ANISOU 657 CA ALA B 41 5064 5743 6155 -1014 -659 742 B C +ATOM 658 C ALA B 41 6.500 -8.595 17.454 1.00 43.25 B C +ANISOU 658 C ALA B 41 4722 5655 6056 -1039 -587 832 B C +ATOM 659 O ALA B 41 7.579 -9.007 17.003 1.00 42.38 B O +ANISOU 659 O ALA B 41 4506 5593 6005 -1064 -625 866 B O +ATOM 660 CB ALA B 41 5.277 -9.673 19.376 1.00 42.01 B C +ANISOU 660 CB ALA B 41 4835 5445 5681 -957 -574 695 B C +ATOM 661 H ALA B 41 5.141 -7.325 19.953 1.00 48.19 B H +ATOM 662 HA ALA B 41 7.147 -8.810 19.382 1.00 53.58 B H +ATOM 663 HB1 ALA B 41 5.506 -10.507 18.937 1.00 50.42 B H +ATOM 664 HB2 ALA B 41 5.306 -9.787 20.339 1.00 50.42 B H +ATOM 665 HB3 ALA B 41 4.391 -9.388 19.103 1.00 50.42 B H +ATOM 666 N PRO B 42 5.535 -8.201 16.620 1.00 38.94 B N +ANISOU 666 N PRO B 42 4146 5139 5509 -1034 -485 869 B N +ATOM 667 CA PRO B 42 4.141 -7.864 16.885 1.00 38.93 B C +ANISOU 667 CA PRO B 42 4243 5106 5444 -998 -416 831 B C +ATOM 668 C PRO B 42 3.206 -9.067 16.787 1.00 38.71 B C +ANISOU 668 C PRO B 42 4253 5155 5300 -945 -308 801 B C +ATOM 669 O PRO B 42 3.483 -10.032 16.075 1.00 39.48 B O +ANISOU 669 O PRO B 42 4267 5351 5384 -937 -258 836 B O +ATOM 670 CB PRO B 42 3.820 -6.853 15.764 1.00 44.36 B C +ANISOU 670 CB PRO B 42 4840 5799 6214 -1024 -371 904 B C +ATOM 671 CG PRO B 42 4.562 -7.486 14.578 1.00 42.57 B C +ANISOU 671 CG PRO B 42 4466 5682 6027 -1048 -336 982 B C +ATOM 672 CD PRO B 42 5.841 -8.076 15.178 1.00 42.31 B C +ANISOU 672 CD PRO B 42 4419 5645 6011 -1066 -430 960 B C +ATOM 673 HA PRO B 42 4.070 -7.454 17.761 1.00 46.73 B H +ATOM 674 HB2 PRO B 42 2.864 -6.802 15.607 1.00 53.24 B H +ATOM 675 HB3 PRO B 42 4.168 -5.974 15.981 1.00 53.24 B H +ATOM 676 HG2 PRO B 42 4.015 -8.180 14.179 1.00 51.09 B H +ATOM 677 HG3 PRO B 42 4.770 -6.807 13.918 1.00 51.09 B H +ATOM 678 HD2 PRO B 42 6.032 -8.945 14.792 1.00 50.78 B H +ATOM 679 HD3 PRO B 42 6.592 -7.478 15.038 1.00 50.78 B H +ATOM 680 N GLY B 43 2.093 -9.000 17.519 1.00 33.90 B N +ANISOU 680 N GLY B 43 3769 4500 4612 -910 -267 729 B N +ATOM 681 CA GLY B 43 1.024 -9.969 17.407 1.00 39.02 B C +ANISOU 681 CA GLY B 43 4456 5212 5157 -863 -150 692 B C +ATOM 682 C GLY B 43 -0.304 -9.258 17.576 1.00 37.55 B C +ANISOU 682 C GLY B 43 4340 4979 4950 -841 -89 644 B C +ATOM 683 O GLY B 43 -0.339 -8.070 17.883 1.00 38.44 B O +ANISOU 683 O GLY B 43 4479 5003 5123 -862 -145 637 B O +ATOM 684 H GLY B 43 1.936 -8.385 18.099 1.00 40.69 B H +ATOM 685 HA2 GLY B 43 1.050 -10.397 16.536 1.00 46.83 B H +ATOM 686 HA3 GLY B 43 1.114 -10.648 18.094 1.00 46.83 B H +ATOM 687 N ILE B 44 -1.403 -9.997 17.362 1.00 35.24 B N +ANISOU 687 N ILE B 44 4069 4743 4576 -800 28 605 B N +ATOM 688 CA ILE B 44 -2.721 -9.403 17.520 1.00 36.64 B C +ANISOU 688 CA ILE B 44 4307 4880 4736 -776 92 546 B C +ATOM 689 C ILE B 44 -3.417 -9.835 18.794 1.00 36.27 B C +ANISOU 689 C ILE B 44 4420 4778 4584 -755 120 433 B C +ATOM 690 O ILE B 44 -4.529 -9.360 19.077 1.00 38.93 B O +ANISOU 690 O ILE B 44 4816 5072 4904 -737 174 364 B O +ATOM 691 CB ILE B 44 -3.626 -9.709 16.311 1.00 36.68 B C +ANISOU 691 CB ILE B 44 4218 4982 4736 -745 209 573 B C +ATOM 692 CG1 ILE B 44 -3.842 -11.200 16.143 1.00 38.72 B C +ANISOU 692 CG1 ILE B 44 4470 5337 4903 -718 299 551 B C +ATOM 693 CG2 ILE B 44 -3.001 -9.103 15.076 1.00 36.13 B C +ANISOU 693 CG2 ILE B 44 4005 4956 4768 -771 180 687 B C +ATOM 694 CD1 ILE B 44 -4.807 -11.525 15.020 1.00 44.81 B C +ANISOU 694 CD1 ILE B 44 5154 6206 5664 -686 417 562 B C +ATOM 695 H ILE B 44 -1.402 -10.825 17.129 1.00 42.29 B H +ATOM 696 HA ILE B 44 -2.592 -8.443 17.570 1.00 43.98 B H +ATOM 697 HB ILE B 44 -4.501 -9.317 16.459 1.00 44.03 B H +ATOM 698 HG12 ILE B 44 -2.992 -11.622 15.941 1.00 46.47 B H +ATOM 699 HG13 ILE B 44 -4.205 -11.562 16.966 1.00 46.47 B H +ATOM 700 HG21 ILE B 44 -3.644 -9.129 14.350 1.00 43.37 B H +ATOM 701 HG22 ILE B 44 -2.754 -8.184 15.265 1.00 43.37 B H +ATOM 702 HG23 ILE B 44 -2.212 -9.615 14.837 1.00 43.37 B H +ATOM 703 HD11 ILE B 44 -5.007 -12.474 15.040 1.00 53.78 B H +ATOM 704 HD12 ILE B 44 -5.621 -11.012 15.146 1.00 53.78 B H +ATOM 705 HD13 ILE B 44 -4.396 -11.291 14.173 1.00 53.78 B H +ATOM 706 N GLY B 45 -2.803 -10.699 19.578 1.00 36.40 B N +ANISOU 706 N GLY B 45 4510 4791 4531 -758 84 408 B N +ATOM 707 CA GLY B 45 -3.365 -11.112 20.852 1.00 34.18 B C +ANISOU 707 CA GLY B 45 4395 4451 4140 -746 104 305 B C +ATOM 708 C GLY B 45 -2.259 -11.647 21.718 1.00 35.68 B C +ANISOU 708 C GLY B 45 4655 4612 4289 -761 3 307 B C +ATOM 709 O GLY B 45 -1.155 -11.896 21.246 1.00 38.14 B O +ANISOU 709 O GLY B 45 4874 4963 4653 -773 -63 381 B O +ATOM 710 H GLY B 45 -2.048 -11.067 19.395 1.00 43.70 B H +ATOM 711 HA2 GLY B 45 -3.782 -10.357 21.296 1.00 41.03 B H +ATOM 712 HA3 GLY B 45 -4.030 -11.805 20.717 1.00 41.03 B H +ATOM 713 N LEU B 46 -2.558 -11.802 23.011 1.00 38.54 B N +ANISOU 713 N LEU B 46 5185 4902 4557 -761 -11 220 B N +ATOM 714 CA LEU B 46 -1.597 -12.392 23.929 1.00 36.15 B C +ANISOU 714 CA LEU B 46 4969 4569 4196 -768 -109 215 B C +ATOM 715 C LEU B 46 -2.354 -12.883 25.158 1.00 42.67 B C +ANISOU 715 C LEU B 46 5988 5342 4882 -760 -63 115 B C +ATOM 716 O LEU B 46 -3.254 -12.200 25.644 1.00 39.15 B O +ANISOU 716 O LEU B 46 5620 4838 4417 -768 -21 40 B O +ATOM 717 CB LEU B 46 -0.535 -11.378 24.342 1.00 38.40 B C +ANISOU 717 CB LEU B 46 5243 4785 4564 -803 -263 238 B C +ATOM 718 CG LEU B 46 0.728 -11.931 25.007 1.00 35.36 B C +ANISOU 718 CG LEU B 46 4898 4384 4154 -808 -389 254 B C +ATOM 719 CD1 LEU B 46 1.533 -12.706 23.983 1.00 42.25 B C +ANISOU 719 CD1 LEU B 46 5623 5349 5082 -798 -391 339 B C +ATOM 720 CD2 LEU B 46 1.570 -10.802 25.631 1.00 42.86 B C +ANISOU 720 CD2 LEU B 46 5861 5249 5174 -844 -536 246 B C +ATOM 721 H LEU B 46 -3.304 -11.573 23.372 1.00 46.26 B H +ATOM 722 HA LEU B 46 -1.155 -13.146 23.506 1.00 43.39 B H +ATOM 723 HB2 LEU B 46 -0.251 -10.902 23.547 1.00 46.10 B H +ATOM 724 HB3 LEU B 46 -0.940 -10.761 24.972 1.00 46.10 B H +ATOM 725 HG LEU B 46 0.480 -12.528 25.730 1.00 42.45 B H +ATOM 726 HD11 LEU B 46 2.388 -12.949 24.371 1.00 50.71 B H +ATOM 727 HD12 LEU B 46 1.043 -13.505 23.735 1.00 50.71 B H +ATOM 728 HD13 LEU B 46 1.671 -12.147 23.202 1.00 50.71 B H +ATOM 729 HD21 LEU B 46 2.361 -11.187 26.040 1.00 51.44 B H +ATOM 730 HD22 LEU B 46 1.828 -10.179 24.934 1.00 51.44 B H +ATOM 731 HD23 LEU B 46 1.039 -10.346 26.302 1.00 51.44 B H +ATOM 732 N ALA B 47 -1.966 -14.054 25.645 1.00 34.86 B N +ANISOU 732 N ALA B 47 5076 4370 3800 -745 -72 112 B N +ATOM 733 CA ALA B 47 -2.481 -14.634 26.881 1.00 42.32 B C +ANISOU 733 CA ALA B 47 6220 5262 4599 -743 -43 28 B C +ATOM 734 C ALA B 47 -1.422 -14.553 27.972 1.00 39.77 B C +ANISOU 734 C ALA B 47 6001 4869 4240 -758 -201 25 B C +ATOM 735 O ALA B 47 -0.229 -14.673 27.697 1.00 40.00 B O +ANISOU 735 O ALA B 47 5948 4919 4333 -756 -312 94 B O +ATOM 736 CB ALA B 47 -2.887 -16.097 26.663 1.00 40.87 B C +ANISOU 736 CB ALA B 47 6062 5142 4324 -713 69 27 B C +ATOM 737 H ALA B 47 -1.379 -14.553 25.263 1.00 41.85 B H +ATOM 738 HA ALA B 47 -3.261 -14.138 27.175 1.00 50.80 B H +ATOM 739 HB1 ALA B 47 -3.225 -16.459 27.497 1.00 49.05 B H +ATOM 740 HB2 ALA B 47 -3.577 -16.135 25.982 1.00 49.05 B H +ATOM 741 HB3 ALA B 47 -2.110 -16.601 26.375 1.00 49.05 B H +ATOM 742 N ALA B 48 -1.858 -14.319 29.216 1.00 39.43 B N +ANISOU 742 N ALA B 48 6139 4745 4096 -774 -212 -61 B N +ATOM 743 CA ALA B 48 -0.897 -14.154 30.298 1.00 43.18 B C +ANISOU 743 CA ALA B 48 6722 5154 4532 -789 -368 -70 B C +ATOM 744 C ALA B 48 -0.008 -15.388 30.463 1.00 45.75 B C +ANISOU 744 C ALA B 48 7075 5508 4799 -762 -432 -20 B C +ATOM 745 O ALA B 48 1.170 -15.258 30.837 1.00 41.29 B O +ANISOU 745 O ALA B 48 6506 4919 4264 -765 -589 11 B O +ATOM 746 CB ALA B 48 -1.634 -13.857 31.606 1.00 43.11 B C +ANISOU 746 CB ALA B 48 6918 5061 4402 -813 -348 -177 B C +ATOM 747 H ALA B 48 -2.683 -14.255 29.448 1.00 47.32 B H +ATOM 748 HA ALA B 48 -0.324 -13.399 30.091 1.00 51.83 B H +ATOM 749 HB1 ALA B 48 -0.981 -13.702 32.307 1.00 51.74 B H +ATOM 750 HB2 ALA B 48 -2.184 -13.068 31.486 1.00 51.74 B H +ATOM 751 HB3 ALA B 48 -2.191 -14.618 31.834 1.00 51.74 B H +ATOM 752 N THR B 49 -0.550 -16.578 30.204 1.00 39.61 B N +ANISOU 752 N THR B 49 6326 4779 3944 -735 -315 -17 B N +ATOM 753 CA THR B 49 0.249 -17.797 30.237 1.00 38.82 B C +ANISOU 753 CA THR B 49 6239 4709 3803 -705 -365 35 B C +ATOM 754 C THR B 49 1.531 -17.634 29.421 1.00 42.29 B C +ANISOU 754 C THR B 49 6492 5193 4385 -697 -482 121 B C +ATOM 755 O THR B 49 2.594 -18.142 29.801 1.00 42.87 B O +ANISOU 755 O THR B 49 6585 5254 4451 -681 -608 152 B O +ATOM 756 CB THR B 49 -0.574 -18.968 29.672 1.00 48.71 B C +ANISOU 756 CB THR B 49 7485 6024 4997 -679 -198 36 B C +ATOM 757 CG2 THR B 49 0.177 -20.282 29.781 1.00 42.08 B C +ANISOU 757 CG2 THR B 49 6675 5205 4110 -646 -242 83 B C +ATOM 758 OG1 THR B 49 -1.802 -19.060 30.391 1.00 47.09 B O +ANISOU 758 OG1 THR B 49 7445 5778 4670 -693 -78 -52 B O +ATOM 759 H THR B 49 -1.377 -16.705 30.007 1.00 47.54 B H +ATOM 760 HA THR B 49 0.486 -17.993 31.157 1.00 46.60 B H +ATOM 761 HB THR B 49 -0.748 -18.813 28.731 1.00 58.46 B H +ATOM 762 HG1 THR B 49 -2.258 -19.702 30.099 1.00 56.52 B H +ATOM 763 HG21 THR B 49 -0.401 -21.017 29.521 1.00 50.51 B H +ATOM 764 HG22 THR B 49 0.953 -20.270 29.199 1.00 50.51 B H +ATOM 765 HG23 THR B 49 0.471 -20.421 30.695 1.00 50.51 B H +ATOM 766 N GLN B 50 1.451 -16.926 28.291 1.00 42.95 B N +ANISOU 766 N GLN B 50 6393 5325 4600 -709 -442 158 B N +ATOM 767 CA GLN B 50 2.603 -16.785 27.415 1.00 35.96 B C +ANISOU 767 CA GLN B 50 5323 4488 3851 -710 -530 237 B C +ATOM 768 C GLN B 50 3.702 -15.922 28.017 1.00 40.76 B C +ANISOU 768 C GLN B 50 5933 5033 4520 -733 -710 238 B C +ATOM 769 O GLN B 50 4.847 -16.003 27.561 1.00 43.57 B O +ANISOU 769 O GLN B 50 6165 5417 4972 -732 -807 292 B O +ATOM 770 CB GLN B 50 2.170 -16.191 26.066 1.00 37.59 B C +ANISOU 770 CB GLN B 50 5350 4760 4173 -722 -435 276 B C +ATOM 771 CG GLN B 50 1.230 -17.093 25.278 1.00 40.75 B C +ANISOU 771 CG GLN B 50 5711 5240 4534 -698 -265 281 B C +ATOM 772 CD GLN B 50 0.787 -16.455 23.973 1.00 43.93 B C +ANISOU 772 CD GLN B 50 5944 5706 5041 -708 -182 319 B C +ATOM 773 NE2 GLN B 50 1.505 -16.766 22.901 1.00 40.36 B N +ANISOU 773 NE2 GLN B 50 5324 5332 4678 -707 -190 393 B N +ATOM 774 OE1 GLN B 50 -0.191 -15.705 23.925 1.00 36.82 B O +ANISOU 774 OE1 GLN B 50 5065 4785 4140 -717 -112 281 B O +ATOM 775 H GLN B 50 0.743 -16.523 28.014 1.00 51.55 B H +ATOM 776 HA GLN B 50 2.973 -17.668 27.259 1.00 43.16 B H +ATOM 777 HB2 GLN B 50 1.711 -15.352 26.227 1.00 45.12 B H +ATOM 778 HB3 GLN B 50 2.959 -16.038 25.523 1.00 45.12 B H +ATOM 779 HG2 GLN B 50 1.686 -17.923 25.069 1.00 48.92 B H +ATOM 780 HG3 GLN B 50 0.440 -17.272 25.810 1.00 48.92 B H +ATOM 781 HE21 GLN B 50 2.176 -17.299 22.973 1.00 48.44 B H +ATOM 782 HE22 GLN B 50 1.299 -16.434 22.135 1.00 48.44 B H +ATOM 783 N VAL B 51 3.385 -15.081 29.001 1.00 40.84 B N +ANISOU 783 N VAL B 51 6072 4961 4484 -756 -753 174 B N +ATOM 784 CA VAL B 51 4.399 -14.253 29.653 1.00 42.80 B C +ANISOU 784 CA VAL B 51 6330 5147 4785 -779 -925 164 B C +ATOM 785 C VAL B 51 4.617 -14.786 31.066 1.00 43.22 B C +ANISOU 785 C VAL B 51 6587 5138 4695 -767 -1013 113 B C +ATOM 786 O VAL B 51 5.033 -14.049 31.970 1.00 42.90 B O +ANISOU 786 O VAL B 51 6626 5028 4645 -789 -1132 70 B O +ATOM 787 CB VAL B 51 4.012 -12.762 29.658 1.00 46.43 B C +ANISOU 787 CB VAL B 51 6764 5557 5319 -820 -924 132 B C +ATOM 788 CG1 VAL B 51 4.021 -12.249 28.208 1.00 41.93 B C +ANISOU 788 CG1 VAL B 51 5986 5047 4897 -832 -862 200 B C +ATOM 789 CG2 VAL B 51 2.651 -12.514 30.314 1.00 43.23 B C +ANISOU 789 CG2 VAL B 51 6511 5107 4808 -827 -816 51 B C +ATOM 790 H VAL B 51 2.590 -14.972 29.309 1.00 49.02 B H +ATOM 791 HA VAL B 51 5.232 -14.324 29.161 1.00 51.37 B H +ATOM 792 HB VAL B 51 4.659 -12.271 30.189 1.00 55.72 B H +ATOM 793 HG11 VAL B 51 3.784 -11.309 28.205 1.00 50.32 B H +ATOM 794 HG12 VAL B 51 4.908 -12.368 27.836 1.00 50.32 B H +ATOM 795 HG13 VAL B 51 3.375 -12.755 27.691 1.00 50.32 B H +ATOM 796 HG21 VAL B 51 2.492 -11.558 30.361 1.00 51.89 B H +ATOM 797 HG22 VAL B 51 1.961 -12.938 29.780 1.00 51.89 B H +ATOM 798 HG23 VAL B 51 2.657 -12.893 31.207 1.00 51.89 B H +ATOM 799 N ASN B 52 4.354 -16.074 31.243 1.00 46.96 B N +ANISOU 799 N ASN B 52 7147 5636 5058 -732 -957 119 B N +ATOM 800 CA ASN B 52 4.614 -16.801 32.490 1.00 45.08 B C +ANISOU 800 CA ASN B 52 7106 5346 4675 -713 -1038 87 B C +ATOM 801 C ASN B 52 3.815 -16.255 33.662 1.00 46.19 B C +ANISOU 801 C ASN B 52 7447 5410 4694 -741 -1020 0 B C +ATOM 802 O ASN B 52 4.262 -16.316 34.810 1.00 48.84 B O +ANISOU 802 O ASN B 52 7935 5686 4936 -742 -1138 -33 B O +ATOM 803 CB ASN B 52 6.103 -16.804 32.827 1.00 42.49 B C +ANISOU 803 CB ASN B 52 6741 5000 4402 -701 -1241 115 B C +ATOM 804 CG ASN B 52 6.476 -17.932 33.786 1.00 57.10 B C +ANISOU 804 CG ASN B 52 8760 6820 6114 -664 -1319 111 B C +ATOM 805 ND2 ASN B 52 7.562 -17.743 34.522 1.00 53.16 B N +ANISOU 805 ND2 ASN B 52 8298 6278 5621 -657 -1510 104 B N +ATOM 806 OD1 ASN B 52 5.800 -18.973 33.844 1.00 49.66 B O +ANISOU 806 OD1 ASN B 52 7912 5892 5063 -640 -1210 114 B O +ATOM 807 H ASN B 52 4.011 -16.574 30.633 1.00 56.36 B H +ATOM 808 HA ASN B 52 4.326 -17.718 32.355 1.00 54.10 B H +ATOM 809 HB2 ASN B 52 6.614 -16.920 32.011 1.00 51.00 B H +ATOM 810 HB3 ASN B 52 6.336 -15.961 33.247 1.00 51.00 B H +ATOM 811 HD21 ASN B 52 7.816 -18.349 35.078 1.00 63.80 B H +ATOM 812 HD22 ASN B 52 8.014 -17.015 34.444 1.00 63.80 B H +ATOM 813 N VAL B 53 2.636 -15.703 33.401 1.00 46.47 B N +ANISOU 813 N VAL B 53 7482 5445 4728 -765 -876 -42 B N +ATOM 814 CA VAL B 53 1.722 -15.272 34.457 1.00 51.41 B C +ANISOU 814 CA VAL B 53 8296 6002 5235 -794 -829 -135 B C +ATOM 815 C VAL B 53 0.464 -16.113 34.291 1.00 51.46 B C +ANISOU 815 C VAL B 53 8374 6036 5143 -783 -637 -163 B C +ATOM 816 O VAL B 53 -0.256 -15.983 33.296 1.00 48.39 B O +ANISOU 816 O VAL B 53 7861 5698 4827 -781 -506 -154 B O +ATOM 817 CB VAL B 53 1.398 -13.780 34.394 1.00 48.98 B C +ANISOU 817 CB VAL B 53 7930 5658 5022 -834 -831 -179 B C +ATOM 818 CG1 VAL B 53 0.354 -13.448 35.455 1.00 54.24 B C +ANISOU 818 CG1 VAL B 53 8788 6258 5562 -864 -761 -286 B C +ATOM 819 CG2 VAL B 53 2.645 -12.934 34.608 1.00 51.27 B C +ANISOU 819 CG2 VAL B 53 8153 5915 5411 -849 -1017 -160 B C +ATOM 820 H VAL B 53 2.337 -15.565 32.607 1.00 55.77 B H +ATOM 821 HA VAL B 53 2.120 -15.445 35.324 1.00 61.70 B H +ATOM 822 HB VAL B 53 1.048 -13.569 33.514 1.00 58.79 B H +ATOM 823 HG11 VAL B 53 0.342 -12.488 35.596 1.00 65.10 B H +ATOM 824 HG12 VAL B 53 -0.516 -13.748 35.148 1.00 65.10 B H +ATOM 825 HG13 VAL B 53 0.588 -13.900 36.280 1.00 65.10 B H +ATOM 826 HG21 VAL B 53 2.402 -11.996 34.566 1.00 61.53 B H +ATOM 827 HG22 VAL B 53 3.020 -13.140 35.478 1.00 61.53 B H +ATOM 828 HG23 VAL B 53 3.289 -13.140 33.913 1.00 61.53 B H +ATOM 829 N HIS B 54 0.201 -16.992 35.238 1.00 47.96 B N +ANISOU 829 N HIS B 54 8130 5559 4533 -778 -617 -198 B N +ATOM 830 CA HIS B 54 -0.785 -18.055 35.017 1.00 50.81 B C +ANISOU 830 CA HIS B 54 8551 5953 4803 -763 -442 -211 B C +ATOM 831 C HIS B 54 -2.124 -17.672 35.634 1.00 55.56 B C +ANISOU 831 C HIS B 54 9289 6510 5311 -800 -306 -317 B C +ATOM 832 O HIS B 54 -2.668 -18.317 36.528 1.00 55.48 B O +ANISOU 832 O HIS B 54 9477 6461 5141 -812 -244 -371 B O +ATOM 833 CB HIS B 54 -0.213 -19.370 35.522 1.00 55.50 B C +ANISOU 833 CB HIS B 54 9262 6541 5284 -731 -494 -173 B C +ATOM 834 CG HIS B 54 1.083 -19.694 34.849 1.00 51.62 B C +ANISOU 834 CG HIS B 54 8614 6094 4905 -694 -624 -78 B C +ATOM 835 CD2 HIS B 54 2.364 -19.599 35.275 1.00 55.60 B C +ANISOU 835 CD2 HIS B 54 9118 6573 5435 -681 -820 -42 B C +ATOM 836 ND1 HIS B 54 1.150 -20.050 33.516 1.00 52.88 B N +ANISOU 836 ND1 HIS B 54 8572 6338 5183 -671 -555 -17 B N +ATOM 837 CE1 HIS B 54 2.415 -20.215 33.168 1.00 52.29 B C +ANISOU 837 CE1 HIS B 54 8383 6285 5199 -647 -696 52 B C +ATOM 838 NE2 HIS B 54 3.173 -19.949 34.218 1.00 51.25 B N +ANISOU 838 NE2 HIS B 54 8367 6087 5017 -650 -861 37 B N +ATOM 839 H HIS B 54 0.573 -17.002 36.014 1.00 57.56 B H +ATOM 840 HA HIS B 54 -0.961 -18.173 34.070 1.00 60.99 B H +ATOM 841 HB2 HIS B 54 -0.054 -19.305 36.477 1.00 66.61 B H +ATOM 842 HB3 HIS B 54 -0.841 -20.086 35.338 1.00 66.61 B H +ATOM 843 HD2 HIS B 54 2.645 -19.343 36.124 1.00 66.73 B H +ATOM 844 HE1 HIS B 54 2.720 -20.474 32.329 1.00 62.76 B H +ATOM 845 HE2 HIS B 54 4.032 -19.989 34.238 1.00 61.51 B H +ATOM 846 N LYS B 55 -2.630 -16.554 35.099 1.00 51.49 B N +ANISOU 846 N LYS B 55 8656 6000 4908 -821 -261 -347 B N +ATOM 847 CA LYS B 55 -3.943 -16.005 35.396 1.00 50.94 B C +ANISOU 847 CA LYS B 55 8655 5898 4800 -853 -124 -451 B C +ATOM 848 C LYS B 55 -4.720 -15.887 34.093 1.00 51.71 B C +ANISOU 848 C LYS B 55 8573 6065 5010 -837 13 -438 B C +ATOM 849 O LYS B 55 -4.127 -15.752 33.010 1.00 46.18 B O +ANISOU 849 O LYS B 55 7682 5423 4442 -812 -30 -352 B O +ATOM 850 CB LYS B 55 -3.843 -14.643 36.069 1.00 51.94 B C +ANISOU 850 CB LYS B 55 8817 5955 4963 -892 -213 -510 B C +ATOM 851 CG LYS B 55 -2.980 -14.625 37.350 1.00 56.65 B C +ANISOU 851 CG LYS B 55 9580 6487 5457 -910 -371 -524 B C +ATOM 852 CD LYS B 55 -3.283 -13.390 38.218 1.00 72.46 B C +ANISOU 852 CD LYS B 55 11666 8413 7454 -959 -406 -621 B C +ATOM 853 CE LYS B 55 -2.144 -13.056 39.194 1.00 75.81 B C +ANISOU 853 CE LYS B 55 12182 8786 7838 -973 -604 -617 B C +ATOM 854 NZ LYS B 55 -2.383 -11.761 39.892 1.00 77.04 B N +ANISOU 854 NZ LYS B 55 12384 8873 8014 -1021 -640 -709 B N +ATOM 855 H LYS B 55 -2.200 -16.074 34.528 1.00 61.80 B H +ATOM 856 HA LYS B 55 -4.424 -16.590 36.002 1.00 61.13 B H +ATOM 857 HB2 LYS B 55 -3.450 -14.017 35.441 1.00 62.34 B H +ATOM 858 HB3 LYS B 55 -4.736 -14.352 36.313 1.00 62.34 B H +ATOM 859 HG2 LYS B 55 -3.166 -15.419 37.874 1.00 67.99 B H +ATOM 860 HG3 LYS B 55 -2.042 -14.602 37.104 1.00 67.99 B H +ATOM 861 HD2 LYS B 55 -3.417 -12.623 37.640 1.00 86.97 B H +ATOM 862 HD3 LYS B 55 -4.084 -13.558 38.738 1.00 86.97 B H +ATOM 863 HE2 LYS B 55 -2.080 -13.756 39.863 1.00 90.99 B H +ATOM 864 HE3 LYS B 55 -1.310 -12.989 38.704 1.00 90.99 B H +ATOM 865 HZ1 LYS B 55 -1.689 -11.564 40.414 1.00 92.46 B H +ATOM 866 HZ2 LYS B 55 -2.490 -11.110 39.296 1.00 92.46 B H +ATOM 867 HZ3 LYS B 55 -3.115 -11.817 40.395 1.00 92.46 B H +ATOM 868 N ARG B 56 -6.049 -15.919 34.194 1.00 50.38 B N +ANISOU 868 N ARG B 56 8464 5889 4790 -851 178 -528 B N +ATOM 869 CA ARG B 56 -6.903 -16.022 32.998 1.00 51.23 B C +ANISOU 869 CA ARG B 56 8417 6067 4980 -830 322 -525 B C +ATOM 870 C ARG B 56 -7.167 -14.619 32.456 1.00 49.11 B C +ANISOU 870 C ARG B 56 8015 5788 4856 -839 303 -540 B C +ATOM 871 O ARG B 56 -8.193 -13.987 32.729 1.00 46.80 B O +ANISOU 871 O ARG B 56 7761 5457 4562 -859 389 -638 B O +ATOM 872 CB ARG B 56 -8.188 -16.777 33.330 1.00 49.52 B C +ANISOU 872 CB ARG B 56 8319 5849 4647 -838 507 -621 B C +ATOM 873 CG ARG B 56 -7.932 -18.228 33.760 1.00 55.18 B C +ANISOU 873 CG ARG B 56 9163 6575 5226 -827 535 -596 B C +ATOM 874 CD ARG B 56 -9.214 -19.074 33.869 1.00 52.64 B C +ANISOU 874 CD ARG B 56 8930 6264 4805 -836 739 -682 B C +ATOM 875 NE ARG B 56 -9.616 -19.644 32.589 1.00 52.82 B N +ANISOU 875 NE ARG B 56 8783 6380 4905 -800 849 -647 B N +ATOM 876 CZ ARG B 56 -9.058 -20.716 32.031 1.00 51.38 B C +ANISOU 876 CZ ARG B 56 8547 6255 4719 -767 847 -564 B C +ATOM 877 NH1 ARG B 56 -8.047 -21.350 32.603 1.00 52.48 B N +ANISOU 877 NH1 ARG B 56 8781 6369 4789 -759 735 -500 B N +ATOM 878 NH2 ARG B 56 -9.519 -21.159 30.864 1.00 51.12 B N +ANISOU 878 NH2 ARG B 56 8357 6309 4756 -739 957 -545 B N +ATOM 879 H ARG B 56 -6.481 -15.884 34.936 1.00 60.47 B H +ATOM 880 HA ARG B 56 -6.432 -16.515 32.308 1.00 61.49 B H +ATOM 881 HB2 ARG B 56 -8.642 -16.324 34.058 1.00 59.43 B H +ATOM 882 HB3 ARG B 56 -8.757 -16.794 32.544 1.00 59.43 B H +ATOM 883 HG2 ARG B 56 -7.353 -18.651 33.108 1.00 66.22 B H +ATOM 884 HG3 ARG B 56 -7.505 -18.226 34.631 1.00 66.22 B H +ATOM 885 HD2 ARG B 56 -9.061 -19.805 34.488 1.00 63.17 B H +ATOM 886 HD3 ARG B 56 -9.938 -18.514 34.189 1.00 63.17 B H +ATOM 887 HE ARG B 56 -10.258 -19.261 32.165 1.00 63.39 B H +ATOM 888 HH11 ARG B 56 -7.734 -21.070 33.354 1.00 62.98 B H +ATOM 889 HH12 ARG B 56 -7.703 -22.040 32.224 1.00 62.98 B H +ATOM 890 HH21 ARG B 56 -10.172 -20.754 30.477 1.00 61.35 B H +ATOM 891 HH22 ARG B 56 -9.165 -21.851 30.496 1.00 61.35 B H +ATOM 892 N ILE B 57 -6.205 -14.136 31.662 1.00 44.44 B N +ANISOU 892 N ILE B 57 7261 5228 4395 -824 190 -440 B N +ATOM 893 CA ILE B 57 -6.204 -12.781 31.120 1.00 43.94 B C +ANISOU 893 CA ILE B 57 7068 5148 4478 -833 145 -430 B C +ATOM 894 C ILE B 57 -5.743 -12.857 29.678 1.00 44.66 B C +ANISOU 894 C ILE B 57 6949 5326 4695 -803 137 -320 B C +ATOM 895 O ILE B 57 -4.704 -13.461 29.390 1.00 44.54 B O +ANISOU 895 O ILE B 57 6883 5350 4689 -790 59 -234 B O +ATOM 896 CB ILE B 57 -5.270 -11.842 31.915 1.00 44.90 B C +ANISOU 896 CB ILE B 57 7237 5194 4629 -863 -23 -430 B C +ATOM 897 CG1 ILE B 57 -5.719 -11.743 33.374 1.00 48.89 B C +ANISOU 897 CG1 ILE B 57 7958 5616 5002 -897 -17 -543 B C +ATOM 898 CG2 ILE B 57 -5.244 -10.451 31.312 1.00 41.85 B C +ANISOU 898 CG2 ILE B 57 6714 4785 4401 -873 -66 -414 B C +ATOM 899 CD1 ILE B 57 -4.829 -10.875 34.231 1.00 53.85 B C +ANISOU 899 CD1 ILE B 57 8644 6171 5646 -928 -180 -554 B C +ATOM 900 H ILE B 57 -5.519 -14.594 31.417 1.00 53.34 B H +ATOM 901 HA ILE B 57 -7.105 -12.423 31.152 1.00 52.74 B H +ATOM 902 HB ILE B 57 -4.379 -12.223 31.871 1.00 53.89 B H +ATOM 903 HG12 ILE B 57 -6.613 -11.367 33.400 1.00 58.68 B H +ATOM 904 HG13 ILE B 57 -5.723 -12.633 33.760 1.00 58.68 B H +ATOM 905 HG21 ILE B 57 -4.668 -9.884 31.850 1.00 50.23 B H +ATOM 906 HG22 ILE B 57 -4.902 -10.505 30.406 1.00 50.23 B H +ATOM 907 HG23 ILE B 57 -6.146 -10.093 31.305 1.00 50.23 B H +ATOM 908 HD11 ILE B 57 -5.038 -11.034 35.165 1.00 64.63 B H +ATOM 909 HD12 ILE B 57 -3.903 -11.103 34.056 1.00 64.63 B H +ATOM 910 HD13 ILE B 57 -4.988 -9.944 34.010 1.00 64.63 B H +ATOM 911 N VAL B 58 -6.524 -12.261 28.783 1.00 40.36 B N +ANISOU 911 N VAL B 58 6284 4808 4243 -793 218 -326 B N +ATOM 912 CA VAL B 58 -6.210 -12.179 27.361 1.00 43.43 B C +ANISOU 912 CA VAL B 58 6474 5277 4752 -770 219 -226 B C +ATOM 913 C VAL B 58 -6.364 -10.744 26.893 1.00 46.63 B C +ANISOU 913 C VAL B 58 6781 5646 5289 -780 181 -217 B C +ATOM 914 O VAL B 58 -7.315 -10.050 27.290 1.00 42.83 B O +ANISOU 914 O VAL B 58 6354 5109 4811 -788 233 -306 B O +ATOM 915 CB VAL B 58 -7.130 -13.109 26.538 1.00 47.52 B C +ANISOU 915 CB VAL B 58 6934 5882 5238 -737 377 -234 B C +ATOM 916 CG1 VAL B 58 -6.979 -12.851 25.035 1.00 46.02 B C +ANISOU 916 CG1 VAL B 58 6538 5774 5172 -717 387 -141 B C +ATOM 917 CG2 VAL B 58 -6.828 -14.555 26.874 1.00 44.38 B C +ANISOU 917 CG2 VAL B 58 6615 5521 4725 -726 407 -225 B C +ATOM 918 H VAL B 58 -7.270 -11.883 28.984 1.00 48.44 B H +ATOM 919 HA VAL B 58 -5.285 -12.439 27.225 1.00 52.13 B H +ATOM 920 HB VAL B 58 -8.055 -12.924 26.767 1.00 57.03 B H +ATOM 921 HG11 VAL B 58 -7.346 -13.604 24.546 1.00 55.23 B H +ATOM 922 HG12 VAL B 58 -7.461 -12.041 24.803 1.00 55.23 B H +ATOM 923 HG13 VAL B 58 -6.038 -12.747 24.825 1.00 55.23 B H +ATOM 924 HG21 VAL B 58 -7.474 -15.124 26.428 1.00 53.27 B H +ATOM 925 HG22 VAL B 58 -5.932 -14.769 26.570 1.00 53.27 B H +ATOM 926 HG23 VAL B 58 -6.889 -14.675 27.835 1.00 53.27 B H +ATOM 927 N VAL B 59 -5.432 -10.295 26.034 1.00 40.25 B N +ANISOU 927 N VAL B 59 5828 4868 4596 -782 94 -111 B N +ATOM 928 CA VAL B 59 -5.526 -8.990 25.412 1.00 38.15 B C +ANISOU 928 CA VAL B 59 5456 4574 4465 -790 62 -83 B C +ATOM 929 C VAL B 59 -5.501 -9.200 23.908 1.00 41.27 B C +ANISOU 929 C VAL B 59 5677 5067 4936 -767 109 13 B C +ATOM 930 O VAL B 59 -5.022 -10.227 23.413 1.00 35.82 B O +ANISOU 930 O VAL B 59 4937 4459 4215 -754 127 70 B O +ATOM 931 CB VAL B 59 -4.403 -8.029 25.842 1.00 38.16 B C +ANISOU 931 CB VAL B 59 5454 4504 4542 -826 -93 -49 B C +ATOM 932 CG1 VAL B 59 -4.500 -7.793 27.355 1.00 36.48 B C +ANISOU 932 CG1 VAL B 59 5418 4196 4245 -850 -137 -153 B C +ATOM 933 CG2 VAL B 59 -3.049 -8.592 25.469 1.00 38.44 B C +ANISOU 933 CG2 VAL B 59 5415 4590 4599 -831 -181 47 B C +ATOM 934 H VAL B 59 -4.735 -10.742 25.803 1.00 48.31 B H +ATOM 935 HA VAL B 59 -6.365 -8.576 25.666 1.00 45.79 B H +ATOM 936 HB VAL B 59 -4.500 -7.180 25.382 1.00 45.81 B H +ATOM 937 HG11 VAL B 59 -3.795 -7.184 27.626 1.00 43.71 B H +ATOM 938 HG12 VAL B 59 -5.367 -7.408 27.560 1.00 43.71 B H +ATOM 939 HG13 VAL B 59 -4.398 -8.642 27.814 1.00 43.71 B H +ATOM 940 HG21 VAL B 59 -2.357 -8.021 25.839 1.00 46.13 B H +ATOM 941 HG22 VAL B 59 -2.969 -9.487 25.833 1.00 46.13 B H +ATOM 942 HG23 VAL B 59 -2.974 -8.620 24.503 1.00 46.13 B H +ATOM 943 N MET B 60 -5.984 -8.192 23.185 1.00 39.36 B N +ANISOU 943 N MET B 60 5345 4813 4796 -763 124 32 B N +ATOM 944 CA MET B 60 -6.157 -8.302 21.746 1.00 39.67 B C +ANISOU 944 CA MET B 60 5230 4943 4899 -740 179 114 B C +ATOM 945 C MET B 60 -6.282 -6.913 21.147 1.00 37.16 B C +ANISOU 945 C MET B 60 4830 4580 4710 -747 139 153 B C +ATOM 946 O MET B 60 -6.749 -5.981 21.811 1.00 38.60 B O +ANISOU 946 O MET B 60 5079 4666 4920 -756 117 85 B O +ATOM 947 CB MET B 60 -7.427 -9.129 21.445 1.00 40.17 B C +ANISOU 947 CB MET B 60 5303 5072 4889 -701 329 52 B C +ATOM 948 CG MET B 60 -7.325 -10.154 20.371 1.00 54.23 B C +ANISOU 948 CG MET B 60 6976 6975 6654 -678 396 118 B C +ATOM 949 SD MET B 60 -8.997 -10.877 20.167 1.00 52.44 B S +ANISOU 949 SD MET B 60 6770 6802 6352 -635 572 16 B S +ATOM 950 CE MET B 60 -9.032 -12.103 21.439 1.00 44.03 B C +ANISOU 950 CE MET B 60 5873 5719 5139 -642 616 -71 B C +ATOM 951 H MET B 60 -6.219 -7.431 23.510 1.00 47.24 B H +ATOM 952 HA MET B 60 -5.384 -8.733 21.348 1.00 47.62 B H +ATOM 953 HB2 MET B 60 -7.680 -9.595 22.257 1.00 48.22 B H +ATOM 954 HB3 MET B 60 -8.129 -8.514 21.183 1.00 48.22 B H +ATOM 955 HG2 MET B 60 -7.045 -9.745 19.538 1.00 65.09 B H +ATOM 956 HG3 MET B 60 -6.699 -10.850 20.626 1.00 65.09 B H +ATOM 957 HE1 MET B 60 -9.839 -12.634 21.344 1.00 52.85 B H +ATOM 958 HE2 MET B 60 -8.251 -12.671 21.353 1.00 52.85 B H +ATOM 959 HE3 MET B 60 -9.027 -11.662 22.303 1.00 52.85 B H +ATOM 960 N ASP B 61 -5.872 -6.778 19.883 1.00 33.22 B N +ANISOU 960 N ASP B 61 3251 3916 5455 -578 65 0 B N +ATOM 961 CA ASP B 61 -6.196 -5.579 19.120 1.00 34.54 B C +ANISOU 961 CA ASP B 61 3779 3981 5364 -448 -122 -61 B C +ATOM 962 C ASP B 61 -6.289 -5.984 17.655 1.00 38.80 B C +ANISOU 962 C ASP B 61 4422 4491 5829 -261 -252 -191 B C +ATOM 963 O ASP B 61 -5.264 -6.323 17.049 1.00 37.52 B O +ANISOU 963 O ASP B 61 4329 4398 5527 -332 -162 -63 B O +ATOM 964 CB ASP B 61 -5.155 -4.460 19.307 1.00 38.45 B C +ANISOU 964 CB ASP B 61 4570 4499 5539 -620 -44 181 B C +ATOM 965 CG ASP B 61 -5.631 -3.119 18.761 1.00 42.30 B C +ANISOU 965 CG ASP B 61 5415 4872 5786 -494 -236 114 B C +ATOM 966 OD1 ASP B 61 -6.534 -3.120 17.903 1.00 41.05 B O +ANISOU 966 OD1 ASP B 61 5321 4626 5652 -266 -431 -104 B O +ATOM 967 OD2 ASP B 61 -5.114 -2.059 19.207 1.00 36.95 B O +ANISOU 967 OD2 ASP B 61 4952 4191 4897 -623 -193 278 B O +ATOM 968 H ASP B 61 -5.409 -7.362 19.453 1.00 39.88 B H +ATOM 969 HA ASP B 61 -7.053 -5.239 19.423 1.00 41.46 B H +ATOM 970 HB2 ASP B 61 -4.974 -4.352 20.254 1.00 46.15 B H +ATOM 971 HB3 ASP B 61 -4.341 -4.704 18.840 1.00 46.15 B H +ATOM 972 N LEU B 62 -7.509 -5.979 17.102 1.00 37.42 B N +ANISOU 972 N LEU B 62 4248 4214 5754 -25 -458 -447 B N +ATOM 973 CA LEU B 62 -7.734 -6.350 15.708 1.00 36.62 B C +ANISOU 973 CA LEU B 62 4242 4074 5597 175 -600 -596 B C +ATOM 974 C LEU B 62 -8.001 -5.131 14.820 1.00 45.03 B C +ANISOU 974 C LEU B 62 5700 5034 6375 315 -795 -654 B C +ATOM 975 O LEU B 62 -8.519 -5.279 13.709 1.00 44.13 B O +ANISOU 975 O LEU B 62 5677 4857 6233 522 -962 -829 B O +ATOM 976 CB LEU B 62 -8.893 -7.344 15.614 1.00 39.05 B C +ANISOU 976 CB LEU B 62 4259 4347 6233 352 -695 -852 B C +ATOM 977 CG LEU B 62 -8.856 -8.551 16.541 1.00 43.69 B C +ANISOU 977 CG LEU B 62 4439 5023 7140 239 -524 -831 B C +ATOM 978 CD1 LEU B 62 -10.046 -9.482 16.263 1.00 52.23 B C +ANISOU 978 CD1 LEU B 62 5265 6057 8523 442 -642 -1104 B C +ATOM 979 CD2 LEU B 62 -7.579 -9.323 16.421 1.00 46.66 B C +ANISOU 979 CD2 LEU B 62 4735 5523 7472 77 -330 -640 B C +ATOM 980 H LEU B 62 -8.227 -5.762 17.523 1.00 44.91 B H +ATOM 981 HA LEU B 62 -6.937 -6.785 15.369 1.00 43.88 B H +ATOM 982 HB2 LEU B 62 -9.713 -6.864 15.810 1.00 46.88 B H +ATOM 983 HB3 LEU B 62 -8.918 -7.686 14.707 1.00 46.88 B H +ATOM 984 HG LEU B 62 -8.912 -8.217 17.450 1.00 52.45 B H +ATOM 985 HD11 LEU B 62 -10.005 -10.237 16.872 1.00 62.69 B H +ATOM 986 HD12 LEU B 62 -10.871 -8.991 16.400 1.00 62.69 B H +ATOM 987 HD13 LEU B 62 -9.995 -9.795 15.346 1.00 62.69 B H +ATOM 988 HD21 LEU B 62 -7.626 -10.103 16.996 1.00 56.01 B H +ATOM 989 HD22 LEU B 62 -7.462 -9.598 15.498 1.00 56.01 B H +ATOM 990 HD23 LEU B 62 -6.840 -8.756 16.693 1.00 56.01 B H +ATOM 991 N SER B 63 -7.650 -3.950 15.285 1.00 40.49 B N +ANISOU 991 N SER B 63 5357 4439 5589 206 -776 -512 B N +ATOM 992 CA SER B 63 -7.787 -2.723 14.523 1.00 48.18 B C +ANISOU 992 CA SER B 63 6717 5319 6270 313 -942 -538 B C +ATOM 993 C SER B 63 -6.516 -2.447 13.731 1.00 46.42 B C +ANISOU 993 C SER B 63 6752 5145 5741 227 -872 -350 B C +ATOM 994 O SER B 63 -5.413 -2.774 14.152 1.00 45.03 B O +ANISOU 994 O SER B 63 6507 5074 5528 21 -670 -138 B O +ATOM 995 CB SER B 63 -8.087 -1.542 15.452 1.00 46.22 B C +ANISOU 995 CB SER B 63 6592 5019 5949 240 -960 -482 B C +ATOM 996 OG SER B 63 -6.950 -1.182 16.219 1.00 45.90 B O +ANISOU 996 OG SER B 63 6597 5064 5780 -14 -762 -212 B O +ATOM 997 H SER B 63 -7.318 -3.826 16.068 1.00 48.60 B H +ATOM 998 HA SER B 63 -8.523 -2.811 13.898 1.00 57.83 B H +ATOM 999 HB2 SER B 63 -8.356 -0.781 14.914 1.00 55.47 B H +ATOM 1000 HB3 SER B 63 -8.805 -1.792 16.054 1.00 55.47 B H +ATOM 1001 HG SER B 63 -6.650 -1.855 16.622 1.00 55.09 B H +ATOM 1002 N GLU B 64 -6.684 -1.838 12.563 1.00 47.11 B N +ANISOU 1002 N GLU B 64 7141 5152 5605 390 -1042 -433 B N +ATOM 1003 CA GLU B 64 -5.525 -1.501 11.740 1.00 50.65 B C +ANISOU 1003 CA GLU B 64 7861 5636 5748 323 -990 -266 B C +ATOM 1004 C GLU B 64 -4.726 -0.344 12.311 1.00 54.01 B C +ANISOU 1004 C GLU B 64 8523 6075 5924 135 -898 -38 B C +ATOM 1005 O GLU B 64 -3.530 -0.250 12.020 1.00 63.08 B O +ANISOU 1005 O GLU B 64 9809 7289 6869 -1 -774 160 B O +ATOM 1006 CB GLU B 64 -5.992 -1.191 10.306 1.00 48.25 B C +ANISOU 1006 CB GLU B 64 7814 5237 5283 563 -1206 -432 B C +ATOM 1007 CG GLU B 64 -6.845 -2.329 9.748 1.00 50.78 B C +ANISOU 1007 CG GLU B 64 7896 5539 5858 757 -1306 -669 B C +ATOM 1008 CD GLU B 64 -7.324 -2.105 8.327 1.00 74.54 B C +ANISOU 1008 CD GLU B 64 11140 8456 8724 999 -1520 -841 B C +ATOM 1009 OE1 GLU B 64 -6.846 -1.155 7.668 1.00 79.60 B O +ANISOU 1009 OE1 GLU B 64 12136 9059 9051 1009 -1575 -759 B O +ATOM 1010 OE2 GLU B 64 -8.180 -2.897 7.874 1.00 71.93 B O +ANISOU 1010 OE2 GLU B 64 10637 8092 8600 1181 -1633 -1060 B O +ATOM 1011 H GLU B 64 -7.443 -1.611 12.229 1.00 56.54 B H +ATOM 1012 HA GLU B 64 -4.926 -2.263 11.699 1.00 60.79 B H +ATOM 1013 HB2 GLU B 64 -6.525 -0.380 10.309 1.00 57.92 B H +ATOM 1014 HB3 GLU B 64 -5.218 -1.076 9.733 1.00 57.92 B H +ATOM 1015 HG2 GLU B 64 -6.319 -3.144 9.756 1.00 60.95 B H +ATOM 1016 HG3 GLU B 64 -7.629 -2.434 10.309 1.00 60.95 B H +ATOM 1017 N ASP B 65 -5.338 0.493 13.167 1.00 52.97 B N +ANISOU 1017 N ASP B 65 8424 5887 5815 117 -946 -57 B N +ATOM 1018 CA ASP B 65 -4.680 1.674 13.730 1.00 54.79 B C +ANISOU 1018 CA ASP B 65 8889 6119 5810 -49 -875 145 B C +ATOM 1019 C ASP B 65 -4.511 1.603 15.245 1.00 55.74 B C +ANISOU 1019 C ASP B 65 8781 6303 6093 -254 -707 271 B C +ATOM 1020 O ASP B 65 -4.355 2.642 15.893 1.00 57.58 B O +ANISOU 1020 O ASP B 65 9172 6515 6191 -357 -687 383 B O +ATOM 1021 CB ASP B 65 -5.466 2.937 13.358 1.00 56.69 B C +ANISOU 1021 CB ASP B 65 9433 6229 5878 104 -1086 32 B C +ATOM 1022 CG ASP B 65 -6.916 2.887 13.830 1.00 58.42 B C +ANISOU 1022 CG ASP B 65 9482 6369 6347 255 -1229 -199 B C +ATOM 1023 OD1 ASP B 65 -7.332 1.840 14.388 1.00 56.23 B O +ANISOU 1023 OD1 ASP B 65 8851 6134 6378 250 -1168 -279 B O +ATOM 1024 OD2 ASP B 65 -7.633 3.900 13.663 1.00 59.59 B O +ANISOU 1024 OD2 ASP B 65 9849 6410 6384 374 -1398 -297 B O +ATOM 1025 H ASP B 65 -6.148 0.391 13.438 1.00 63.58 B H +ATOM 1026 HA ASP B 65 -3.789 1.726 13.348 1.00 65.76 B H +ATOM 1027 HB2 ASP B 65 -5.042 3.706 13.770 1.00 68.04 B H +ATOM 1028 HB3 ASP B 65 -5.467 3.036 12.393 1.00 68.04 B H +ATOM 1029 N LYS B 66 -4.526 0.407 15.832 1.00 57.85 B N +ANISOU 1029 N LYS B 66 8684 6649 6646 -317 -584 259 B N +ATOM 1030 CA LYS B 66 -4.300 0.251 17.271 1.00 49.17 B C +ANISOU 1030 CA LYS B 66 7356 5620 5708 -519 -411 387 B C +ATOM 1031 C LYS B 66 -5.302 1.055 18.092 1.00 49.82 B C +ANISOU 1031 C LYS B 66 7448 5619 5864 -477 -508 295 B C +ATOM 1032 O LYS B 66 -4.967 1.575 19.172 1.00 50.03 B O +ANISOU 1032 O LYS B 66 7462 5675 5872 -654 -395 446 B O +ATOM 1033 CB LYS B 66 -2.871 0.665 17.644 1.00 53.77 B C +ANISOU 1033 CB LYS B 66 8067 6290 6075 -767 -219 680 B C +ATOM 1034 CG LYS B 66 -1.770 -0.222 17.088 1.00 54.13 B C +ANISOU 1034 CG LYS B 66 8050 6436 6080 -853 -79 801 B C +ATOM 1035 CD LYS B 66 -0.380 0.263 17.521 1.00 62.25 B C +ANISOU 1035 CD LYS B 66 9210 7547 6896 -1102 109 1091 B C +ATOM 1036 CE LYS B 66 -0.303 0.565 19.019 1.00 71.40 B C +ANISOU 1036 CE LYS B 66 10230 8741 8156 -1288 237 1213 B C +ATOM 1037 NZ LYS B 66 1.079 0.894 19.483 1.00 78.76 B N +ANISOU 1037 NZ LYS B 66 11179 9774 8974 -1446 418 1422 B N +ATOM 1038 H LYS B 66 -4.665 -0.333 15.418 1.00 69.43 B H +ATOM 1039 HA LYS B 66 -4.423 -0.685 17.496 1.00 59.02 B H +ATOM 1040 HB2 LYS B 66 -2.715 1.562 17.310 1.00 64.54 B H +ATOM 1041 HB3 LYS B 66 -2.791 0.652 18.610 1.00 64.54 B H +ATOM 1042 HG2 LYS B 66 -1.892 -1.127 17.414 1.00 64.97 B H +ATOM 1043 HG3 LYS B 66 -1.807 -0.211 16.119 1.00 64.97 B H +ATOM 1044 HD2 LYS B 66 0.273 -0.426 17.320 1.00 74.72 B H +ATOM 1045 HD3 LYS B 66 -0.164 1.076 17.039 1.00 74.72 B H +ATOM 1046 HE2 LYS B 66 -0.873 1.325 19.216 1.00 85.69 B H +ATOM 1047 HE3 LYS B 66 -0.606 -0.213 19.513 1.00 85.69 B H +ATOM 1048 HZ1 LYS B 66 1.068 1.099 20.349 1.00 94.53 B H +ATOM 1049 HZ2 LYS B 66 1.617 0.196 19.358 1.00 94.53 B H +ATOM 1050 HZ3 LYS B 66 1.396 1.589 19.026 1.00 94.53 B H +ATOM 1051 N SER B 67 -6.527 1.184 17.590 1.00 47.34 B N +ANISOU 1051 N SER B 67 7160 5199 5628 -245 -719 49 B N +ATOM 1052 CA SER B 67 -7.554 2.002 18.223 1.00 50.13 B C +ANISOU 1052 CA SER B 67 7550 5460 6036 -178 -837 -59 B C +ATOM 1053 C SER B 67 -8.555 1.195 19.047 1.00 45.64 B C +ANISOU 1053 C SER B 67 6616 4888 5838 -132 -835 -217 B C +ATOM 1054 O SER B 67 -9.370 1.798 19.753 1.00 45.92 B O +ANISOU 1054 O SER B 67 6641 4859 5949 -103 -905 -292 B O +ATOM 1055 CB SER B 67 -8.319 2.810 17.165 1.00 47.50 B C +ANISOU 1055 CB SER B 67 7509 5001 5539 54 -1085 -234 B C +ATOM 1056 OG SER B 67 -9.049 1.950 16.282 1.00 50.39 B O +ANISOU 1056 OG SER B 67 7756 5332 6058 266 -1212 -458 B O +ATOM 1057 H SER B 67 -6.792 0.799 16.868 1.00 56.82 B H +ATOM 1058 HA SER B 67 -7.114 2.626 18.821 1.00 60.16 B H +ATOM 1059 HB2 SER B 67 -8.943 3.402 17.613 1.00 57.02 B H +ATOM 1060 HB3 SER B 67 -7.685 3.327 16.645 1.00 57.02 B H +ATOM 1061 HG SER B 67 -8.519 1.444 15.872 1.00 60.48 B H +ATOM 1062 N GLU B 68 -8.510 -0.125 18.992 1.00 39.51 B N +ANISOU 1062 N GLU B 68 5543 4179 5290 -128 -754 -265 B N +ATOM 1063 CA GLU B 68 -9.498 -0.978 19.662 1.00 45.04 B C +ANISOU 1063 CA GLU B 68 5890 4872 6351 -66 -760 -432 B C +ATOM 1064 C GLU B 68 -8.825 -2.075 20.480 1.00 41.26 B C +ANISOU 1064 C GLU B 68 5087 4518 6073 -253 -528 -300 B C +ATOM 1065 O GLU B 68 -9.129 -3.255 20.332 1.00 40.01 B O +ANISOU 1065 O GLU B 68 4657 4391 6155 -189 -508 -412 B O +ATOM 1066 CB GLU B 68 -10.461 -1.591 18.644 1.00 43.81 B C +ANISOU 1066 CB GLU B 68 5672 4648 6324 193 -943 -699 B C +ATOM 1067 CG GLU B 68 -11.333 -0.577 17.917 1.00 60.23 B C +ANISOU 1067 CG GLU B 68 8033 6595 8256 400 -1188 -865 B C +ATOM 1068 CD GLU B 68 -12.204 0.249 18.859 1.00 75.65 B C +ANISOU 1068 CD GLU B 68 9989 8474 10279 407 -1254 -927 B C +ATOM 1069 OE1 GLU B 68 -12.578 -0.254 19.943 1.00 71.51 B O +ANISOU 1069 OE1 GLU B 68 9172 7981 10018 331 -1160 -942 B O +ATOM 1070 OE2 GLU B 68 -12.509 1.414 18.511 1.00 84.30 B O +ANISOU 1070 OE2 GLU B 68 11385 9481 11163 489 -1400 -959 B O +ATOM 1071 H GLU B 68 -7.907 -0.566 18.565 1.00 47.42 B H +ATOM 1072 HA GLU B 68 -9.995 -0.420 20.279 1.00 54.06 B H +ATOM 1073 HB2 GLU B 68 -9.944 -2.066 17.975 1.00 52.58 B H +ATOM 1074 HB3 GLU B 68 -11.051 -2.206 19.107 1.00 52.58 B H +ATOM 1075 HG2 GLU B 68 -10.762 0.034 17.425 1.00 72.29 B H +ATOM 1076 HG3 GLU B 68 -11.920 -1.048 17.304 1.00 72.29 B H +ATOM 1077 N PRO B 69 -7.932 -1.712 21.391 1.00 41.22 B N +ANISOU 1077 N PRO B 69 5097 4584 5982 -486 -352 -65 B N +ATOM 1078 CA PRO B 69 -7.417 -2.714 22.335 1.00 39.48 B C +ANISOU 1078 CA PRO B 69 4549 4475 5978 -664 -135 50 B C +ATOM 1079 C PRO B 69 -8.568 -3.309 23.135 1.00 40.30 B C +ANISOU 1079 C PRO B 69 4335 4549 6428 -596 -159 -126 B C +ATOM 1080 O PRO B 69 -9.483 -2.597 23.560 1.00 41.87 B O +ANISOU 1080 O PRO B 69 4582 4661 6664 -521 -272 -233 B O +ATOM 1081 CB PRO B 69 -6.449 -1.909 23.219 1.00 41.85 B C +ANISOU 1081 CB PRO B 69 4973 4828 6099 -905 18 312 B C +ATOM 1082 CG PRO B 69 -6.974 -0.517 23.152 1.00 40.58 B C +ANISOU 1082 CG PRO B 69 5109 4561 5748 -829 -137 270 B C +ATOM 1083 CD PRO B 69 -7.482 -0.356 21.734 1.00 38.39 B C +ANISOU 1083 CD PRO B 69 5032 4201 5355 -594 -346 92 B C +ATOM 1084 HA PRO B 69 -6.921 -3.416 21.885 1.00 47.39 B H +ATOM 1085 HB2 PRO B 69 -6.467 -2.248 24.128 1.00 50.23 B H +ATOM 1086 HB3 PRO B 69 -5.548 -1.962 22.863 1.00 50.23 B H +ATOM 1087 HG2 PRO B 69 -7.693 -0.404 23.792 1.00 48.71 B H +ATOM 1088 HG3 PRO B 69 -6.262 0.114 23.338 1.00 48.71 B H +ATOM 1089 HD2 PRO B 69 -8.220 0.273 21.699 1.00 46.08 B H +ATOM 1090 HD3 PRO B 69 -6.771 -0.066 21.142 1.00 46.08 B H +ATOM 1091 N ARG B 70 -8.544 -4.620 23.301 1.00 42.19 B N +ANISOU 1091 N ARG B 70 4850 5871 5310 -486 -64 216 B N +ATOM 1092 CA ARG B 70 -9.623 -5.338 23.976 1.00 42.39 B C +ANISOU 1092 CA ARG B 70 4819 5893 5396 -555 21 132 B C +ATOM 1093 C ARG B 70 -9.058 -6.215 25.087 1.00 40.34 B C +ANISOU 1093 C ARG B 70 4653 5568 5106 -634 114 150 B C +ATOM 1094 O ARG B 70 -7.998 -6.831 24.933 1.00 41.18 B O +ANISOU 1094 O ARG B 70 4845 5650 5151 -655 103 203 B O +ATOM 1095 CB ARG B 70 -10.421 -6.196 22.979 1.00 45.34 B C +ANISOU 1095 CB ARG B 70 5099 6318 5812 -573 -14 61 B C +ATOM 1096 CG ARG B 70 -11.218 -5.425 21.916 1.00 43.45 B C +ANISOU 1096 CG ARG B 70 4751 6144 5614 -501 -101 25 B C +ATOM 1097 CD ARG B 70 -12.311 -4.549 22.508 1.00 50.33 B C +ANISOU 1097 CD ARG B 70 5540 7026 6556 -482 -64 -18 B C +ATOM 1098 NE ARG B 70 -12.973 -5.175 23.650 1.00 50.13 B N +ANISOU 1098 NE ARG B 70 5500 6970 6579 -558 48 -61 B N +ATOM 1099 CZ ARG B 70 -13.914 -6.102 23.558 1.00 57.32 B C +ANISOU 1099 CZ ARG B 70 6327 7897 7556 -616 77 -129 B C +ATOM 1100 NH1 ARG B 70 -14.353 -6.526 22.383 1.00 52.63 B N +ANISOU 1100 NH1 ARG B 70 5659 7349 6990 -608 -3 -170 B N +ATOM 1101 NH2 ARG B 70 -14.424 -6.621 24.672 1.00 56.73 B N +ANISOU 1101 NH2 ARG B 70 6244 7790 7522 -681 187 -154 B N +ATOM 1102 H ARG B 70 -7.905 -5.128 23.030 1.00 50.64 B H +ATOM 1103 HA ARG B 70 -10.227 -4.699 24.386 1.00 50.89 B H +ATOM 1104 HB2 ARG B 70 -9.798 -6.772 22.508 1.00 54.43 B H +ATOM 1105 HB3 ARG B 70 -11.055 -6.732 23.480 1.00 54.43 B H +ATOM 1106 HG2 ARG B 70 -10.611 -4.851 21.423 1.00 52.15 B H +ATOM 1107 HG3 ARG B 70 -11.637 -6.060 21.315 1.00 52.15 B H +ATOM 1108 HD2 ARG B 70 -11.921 -3.713 22.807 1.00 60.40 B H +ATOM 1109 HD3 ARG B 70 -12.982 -4.378 21.829 1.00 60.40 B H +ATOM 1110 HE ARG B 70 -12.735 -4.923 24.438 1.00 60.17 B H +ATOM 1111 HH11 ARG B 70 -14.026 -6.199 21.658 1.00 63.17 B H +ATOM 1112 HH12 ARG B 70 -14.965 -7.129 22.345 1.00 63.17 B H +ATOM 1113 HH21 ARG B 70 -14.141 -6.353 25.439 1.00 68.09 B H +ATOM 1114 HH22 ARG B 70 -15.035 -7.224 24.626 1.00 68.09 B H +ATOM 1115 N VAL B 71 -9.782 -6.277 26.201 1.00 40.05 B N +ANISOU 1115 N VAL B 71 4601 5504 5111 -675 208 109 B N +ATOM 1116 CA VAL B 71 -9.392 -7.050 27.368 1.00 38.11 B C +ANISOU 1116 CA VAL B 71 4440 5197 4843 -748 307 120 B C +ATOM 1117 C VAL B 71 -10.449 -8.116 27.617 1.00 38.87 B C +ANISOU 1117 C VAL B 71 4459 5305 5005 -819 380 41 B C +ATOM 1118 O VAL B 71 -11.648 -7.815 27.601 1.00 45.42 B O +ANISOU 1118 O VAL B 71 5180 6168 5908 -807 396 -16 B O +ATOM 1119 CB VAL B 71 -9.239 -6.151 28.617 1.00 44.88 B C +ANISOU 1119 CB VAL B 71 5365 6001 5686 -728 362 149 B C +ATOM 1120 CG1 VAL B 71 -8.923 -6.990 29.841 1.00 43.51 B C +ANISOU 1120 CG1 VAL B 71 5278 5763 5491 -802 467 154 B C +ATOM 1121 CG2 VAL B 71 -8.149 -5.099 28.377 1.00 42.94 B C +ANISOU 1121 CG2 VAL B 71 5198 5736 5383 -662 279 233 B C +ATOM 1122 H VAL B 71 -10.529 -5.863 26.304 1.00 48.07 B H +ATOM 1123 HA VAL B 71 -8.545 -7.489 27.190 1.00 45.75 B H +ATOM 1124 HB VAL B 71 -10.075 -5.689 28.784 1.00 53.87 B H +ATOM 1125 HG11 VAL B 71 -8.672 -6.403 30.570 1.00 52.22 B H +ATOM 1126 HG12 VAL B 71 -9.711 -7.502 30.084 1.00 52.22 B H +ATOM 1127 HG13 VAL B 71 -8.190 -7.590 29.632 1.00 52.22 B H +ATOM 1128 HG21 VAL B 71 -8.010 -4.597 29.194 1.00 51.54 B H +ATOM 1129 HG22 VAL B 71 -7.328 -5.548 28.120 1.00 51.54 B H +ATOM 1130 HG23 VAL B 71 -8.436 -4.503 27.667 1.00 51.54 B H +ATOM 1131 N PHE B 72 -10.007 -9.347 27.864 1.00 40.95 B N +ANISOU 1131 N PHE B 72 4776 5539 5245 -893 424 43 B N +ATOM 1132 CA PHE B 72 -10.883 -10.471 28.194 1.00 42.15 B C +ANISOU 1132 CA PHE B 72 4867 5690 5458 -971 497 -21 B C +ATOM 1133 C PHE B 72 -10.329 -11.135 29.445 1.00 42.69 B C +ANISOU 1133 C PHE B 72 5038 5692 5491 -1035 601 3 B C +ATOM 1134 O PHE B 72 -9.303 -11.819 29.399 1.00 44.38 B O +ANISOU 1134 O PHE B 72 5345 5877 5642 -1067 595 43 B O +ATOM 1135 CB PHE B 72 -10.985 -11.472 27.044 1.00 46.54 B C +ANISOU 1135 CB PHE B 72 5378 6281 6025 -999 432 -54 B C +ATOM 1136 CG PHE B 72 -11.441 -10.865 25.757 1.00 42.64 B C +ANISOU 1136 CG PHE B 72 4796 5850 5557 -931 322 -76 B C +ATOM 1137 CD1 PHE B 72 -10.531 -10.325 24.877 1.00 45.09 B C +ANISOU 1137 CD1 PHE B 72 5156 6178 5800 -864 229 -23 B C +ATOM 1138 CD2 PHE B 72 -12.786 -10.821 25.431 1.00 47.97 B C +ANISOU 1138 CD2 PHE B 72 5336 6566 6326 -933 312 -145 B C +ATOM 1139 CE1 PHE B 72 -10.938 -9.750 23.694 1.00 43.01 B C +ANISOU 1139 CE1 PHE B 72 4816 5971 5554 -796 129 -41 B C +ATOM 1140 CE2 PHE B 72 -13.200 -10.247 24.241 1.00 46.48 B C +ANISOU 1140 CE2 PHE B 72 5069 6433 6158 -868 207 -166 B C +ATOM 1141 CZ PHE B 72 -12.276 -9.713 23.375 1.00 46.25 B C +ANISOU 1141 CZ PHE B 72 5097 6421 6055 -799 116 -116 B C +ATOM 1142 H PHE B 72 -9.175 -9.564 27.847 1.00 49.15 B H +ATOM 1143 HA PHE B 72 -11.776 -10.141 28.378 1.00 50.59 B H +ATOM 1144 HB2 PHE B 72 -10.110 -11.863 26.893 1.00 55.86 B H +ATOM 1145 HB3 PHE B 72 -11.620 -12.163 27.288 1.00 55.86 B H +ATOM 1146 HD1 PHE B 72 -9.625 -10.350 25.085 1.00 54.13 B H +ATOM 1147 HD2 PHE B 72 -13.415 -11.180 26.014 1.00 57.58 B H +ATOM 1148 HE1 PHE B 72 -10.310 -9.388 23.112 1.00 51.62 B H +ATOM 1149 HE2 PHE B 72 -14.105 -10.222 24.027 1.00 55.79 B H +ATOM 1150 HZ PHE B 72 -12.554 -9.328 22.576 1.00 55.51 B H +ATOM 1151 N ILE B 73 -11.006 -10.927 30.571 1.00 48.24 B N +ANISOU 1151 N ILE B 73 5726 6371 6233 -1050 700 -18 B N +ATOM 1152 CA ILE B 73 -10.609 -11.507 31.847 1.00 48.75 B C +ANISOU 1152 CA ILE B 73 5884 6370 6267 -1106 808 1 B C +ATOM 1153 C ILE B 73 -11.560 -12.659 32.158 1.00 41.78 B C +ANISOU 1153 C ILE B 73 4925 5492 5458 -1183 891 -57 B C +ATOM 1154 O ILE B 73 -12.776 -12.532 31.981 1.00 47.94 B O +ANISOU 1154 O ILE B 73 5579 6312 6324 -1178 904 -106 B O +ATOM 1155 CB ILE B 73 -10.614 -10.442 32.959 1.00 49.46 B C +ANISOU 1155 CB ILE B 73 6031 6422 6339 -1058 863 25 B C +ATOM 1156 CG1 ILE B 73 -9.453 -9.464 32.752 1.00 47.25 B C +ANISOU 1156 CG1 ILE B 73 5849 6120 5982 -996 779 94 B C +ATOM 1157 CG2 ILE B 73 -10.568 -11.100 34.334 1.00 50.27 B C +ANISOU 1157 CG2 ILE B 73 6207 6464 6431 -1114 991 27 B C +ATOM 1158 CD1 ILE B 73 -9.551 -8.185 33.566 1.00 50.84 B C +ANISOU 1158 CD1 ILE B 73 6346 6545 6425 -931 796 114 B C +ATOM 1159 H ILE B 73 -11.714 -10.443 30.620 1.00 57.91 B H +ATOM 1160 HA ILE B 73 -9.711 -11.868 31.787 1.00 58.51 B H +ATOM 1161 HB ILE B 73 -11.440 -9.935 32.909 1.00 59.36 B H +ATOM 1162 HG12 ILE B 73 -8.627 -9.908 33.002 1.00 56.71 B H +ATOM 1163 HG13 ILE B 73 -9.424 -9.213 31.815 1.00 56.71 B H +ATOM 1164 HG21 ILE B 73 -10.283 -10.445 34.989 1.00 60.34 B H +ATOM 1165 HG22 ILE B 73 -11.454 -11.427 34.557 1.00 60.34 B H +ATOM 1166 HG23 ILE B 73 -9.940 -11.839 34.310 1.00 60.34 B H +ATOM 1167 HD11 ILE B 73 -8.768 -7.640 33.393 1.00 61.02 B H +ATOM 1168 HD12 ILE B 73 -10.353 -7.706 33.306 1.00 61.02 B H +ATOM 1169 HD13 ILE B 73 -9.593 -8.413 34.508 1.00 61.02 B H +ATOM 1170 N ASN B 74 -11.006 -13.784 32.597 1.00 42.16 B N +ANISOU 1170 N ASN B 74 5045 5500 5475 -1257 943 -46 B N +ATOM 1171 CA ASN B 74 -11.758 -15.015 32.813 1.00 48.32 B C +ANISOU 1171 CA ASN B 74 5761 6278 6321 -1339 1011 -94 B C +ATOM 1172 C ASN B 74 -12.619 -15.347 31.583 1.00 48.39 B C +ANISOU 1172 C ASN B 74 5635 6347 6405 -1345 931 -146 B C +ATOM 1173 O ASN B 74 -13.826 -15.561 31.710 1.00 50.04 B O +ANISOU 1173 O ASN B 74 5726 6576 6711 -1369 972 -192 B O +ATOM 1174 CB ASN B 74 -12.607 -14.921 34.068 1.00 49.05 B C +ANISOU 1174 CB ASN B 74 5824 6347 6465 -1353 1140 -110 B C +ATOM 1175 CG ASN B 74 -11.761 -14.684 35.297 1.00 50.65 B C +ANISOU 1175 CG ASN B 74 6170 6484 6589 -1348 1217 -62 B C +ATOM 1176 ND2 ASN B 74 -12.350 -14.074 36.321 1.00 56.65 B N +ANISOU 1176 ND2 ASN B 74 6928 7226 7370 -1316 1306 -64 B N +ATOM 1177 OD1 ASN B 74 -10.582 -15.038 35.324 1.00 49.68 B O +ANISOU 1177 OD1 ASN B 74 6164 6326 6387 -1368 1193 -22 B O +ATOM 1178 H ASN B 74 -10.170 -13.862 32.782 1.00 50.61 B H +ATOM 1179 HA ASN B 74 -11.145 -15.754 32.950 1.00 58.00 B H +ATOM 1180 HB2 ASN B 74 -13.228 -14.181 33.979 1.00 58.87 B H +ATOM 1181 HB3 ASN B 74 -13.093 -15.751 34.189 1.00 58.87 B H +ATOM 1182 HD21 ASN B 74 -11.907 -13.919 37.042 1.00 67.99 B H +ATOM 1183 HD22 ASN B 74 -13.174 -13.835 36.263 1.00 67.99 B H +ATOM 1184 N PRO B 75 -12.011 -15.419 30.402 1.00 45.31 B N +ANISOU 1184 N PRO B 75 5262 5982 5972 -1322 817 -137 B N +ATOM 1185 CA PRO B 75 -12.797 -15.624 29.186 1.00 45.16 B C +ANISOU 1185 CA PRO B 75 5125 6016 6016 -1315 726 -188 B C +ATOM 1186 C PRO B 75 -13.287 -17.051 29.054 1.00 45.78 B C +ANISOU 1186 C PRO B 75 5159 6085 6149 -1404 745 -232 B C +ATOM 1187 O PRO B 75 -12.621 -18.004 29.453 1.00 51.06 B O +ANISOU 1187 O PRO B 75 5914 6713 6774 -1463 787 -216 B O +ATOM 1188 CB PRO B 75 -11.806 -15.276 28.063 1.00 41.75 B C +ANISOU 1188 CB PRO B 75 4754 5606 5502 -1255 607 -153 B C +ATOM 1189 CG PRO B 75 -10.485 -15.654 28.636 1.00 44.48 B C +ANISOU 1189 CG PRO B 75 5247 5900 5753 -1278 645 -93 B C +ATOM 1190 CD PRO B 75 -10.574 -15.287 30.123 1.00 44.10 B C +ANISOU 1190 CD PRO B 75 5237 5808 5711 -1295 764 -76 B C +ATOM 1191 HA PRO B 75 -13.555 -15.019 29.165 1.00 54.20 B H +ATOM 1192 HB2 PRO B 75 -12.005 -15.792 27.267 1.00 50.11 B H +ATOM 1193 HB3 PRO B 75 -11.844 -14.328 27.862 1.00 50.11 B H +ATOM 1194 HG2 PRO B 75 -10.336 -16.606 28.523 1.00 53.39 B H +ATOM 1195 HG3 PRO B 75 -9.779 -15.154 28.198 1.00 53.39 B H +ATOM 1196 HD2 PRO B 75 -10.056 -15.902 30.664 1.00 52.93 B H +ATOM 1197 HD3 PRO B 75 -10.273 -14.377 30.274 1.00 52.93 B H +ATOM 1198 N GLU B 76 -14.457 -17.185 28.452 1.00 45.28 B N +ANISOU 1198 N GLU B 76 4959 6060 6185 -1413 705 -288 B N +ATOM 1199 CA GLU B 76 -15.012 -18.458 28.032 1.00 54.27 B C +ANISOU 1199 CA GLU B 76 6039 7194 7386 -1489 685 -334 B C +ATOM 1200 C GLU B 76 -15.641 -18.252 26.665 1.00 52.43 B C +ANISOU 1200 C GLU B 76 5708 7012 7200 -1451 553 -377 B C +ATOM 1201 O GLU B 76 -16.069 -17.142 26.331 1.00 51.05 B O +ANISOU 1201 O GLU B 76 5470 6878 7047 -1380 514 -380 B O +ATOM 1202 CB GLU B 76 -16.053 -18.985 29.040 1.00 54.13 B C +ANISOU 1202 CB GLU B 76 5937 7157 7474 -1561 800 -358 B C +ATOM 1203 CG GLU B 76 -15.447 -19.353 30.387 1.00 63.47 B C +ANISOU 1203 CG GLU B 76 7223 8285 8609 -1604 932 -320 B C +ATOM 1204 CD GLU B 76 -16.474 -19.377 31.503 1.00 80.62 B C +ANISOU 1204 CD GLU B 76 9312 10445 10874 -1637 1060 -328 B C +ATOM 1205 OE1 GLU B 76 -17.676 -19.192 31.204 1.00 71.87 B O +ANISOU 1205 OE1 GLU B 76 8059 9371 9876 -1634 1046 -361 B O +ATOM 1206 OE2 GLU B 76 -16.081 -19.573 32.675 1.00 88.57 B O +ANISOU 1206 OE2 GLU B 76 10400 11408 11845 -1662 1175 -297 B O +ATOM 1207 H GLU B 76 -14.973 -16.522 28.268 1.00 54.35 B H +ATOM 1208 HA GLU B 76 -14.318 -19.132 27.961 1.00 65.13 B H +ATOM 1209 HB2 GLU B 76 -16.721 -18.298 29.191 1.00 64.97 B H +ATOM 1210 HB3 GLU B 76 -16.471 -19.780 28.674 1.00 64.97 B H +ATOM 1211 HG2 GLU B 76 -15.050 -20.236 30.324 1.00 76.18 B H +ATOM 1212 HG3 GLU B 76 -14.768 -18.700 30.617 1.00 76.18 B H +ATOM 1213 N PHE B 77 -15.657 -19.315 25.859 1.00 46.45 B N +ANISOU 1213 N PHE B 77 4947 6250 6451 -1493 480 -409 B N +ATOM 1214 CA PHE B 77 -16.294 -19.265 24.550 1.00 48.29 B C +ANISOU 1214 CA PHE B 77 5093 6524 6730 -1461 348 -456 B C +ATOM 1215 C PHE B 77 -17.118 -20.528 24.351 1.00 49.47 B C +ANISOU 1215 C PHE B 77 5169 6654 6974 -1550 329 -509 B C +ATOM 1216 O PHE B 77 -16.846 -21.571 24.950 1.00 51.20 B O +ANISOU 1216 O PHE B 77 5439 6827 7187 -1628 392 -504 B O +ATOM 1217 CB PHE B 77 -15.278 -19.086 23.390 1.00 49.82 B C +ANISOU 1217 CB PHE B 77 5381 6736 6813 -1389 232 -436 B C +ATOM 1218 CG PHE B 77 -14.490 -20.326 23.036 1.00 48.51 B C +ANISOU 1218 CG PHE B 77 5317 6535 6579 -1431 202 -434 B C +ATOM 1219 CD1 PHE B 77 -15.007 -21.274 22.166 1.00 50.85 B C +ANISOU 1219 CD1 PHE B 77 5575 6829 6918 -1464 112 -489 B C +ATOM 1220 CD2 PHE B 77 -13.219 -20.523 23.543 1.00 49.87 B C +ANISOU 1220 CD2 PHE B 77 5629 6676 6644 -1433 258 -376 B C +ATOM 1221 CE1 PHE B 77 -14.281 -22.405 21.835 1.00 48.10 B C +ANISOU 1221 CE1 PHE B 77 5328 6447 6502 -1496 83 -488 B C +ATOM 1222 CE2 PHE B 77 -12.491 -21.655 23.213 1.00 47.33 B C +ANISOU 1222 CE2 PHE B 77 5402 6323 6257 -1466 233 -371 B C +ATOM 1223 CZ PHE B 77 -13.013 -22.586 22.369 1.00 50.15 B C +ANISOU 1223 CZ PHE B 77 5725 6678 6652 -1496 148 -428 B C +ATOM 1224 H PHE B 77 -15.304 -20.075 26.051 1.00 55.75 B H +ATOM 1225 HA PHE B 77 -16.891 -18.501 24.517 1.00 57.96 B H +ATOM 1226 HB2 PHE B 77 -15.763 -18.813 22.596 1.00 59.80 B H +ATOM 1227 HB3 PHE B 77 -14.641 -18.399 23.642 1.00 59.80 B H +ATOM 1228 HD1 PHE B 77 -15.853 -21.148 21.800 1.00 61.03 B H +ATOM 1229 HD2 PHE B 77 -12.849 -19.889 24.113 1.00 59.86 B H +ATOM 1230 HE1 PHE B 77 -14.641 -23.040 21.259 1.00 57.74 B H +ATOM 1231 HE2 PHE B 77 -11.642 -21.779 23.570 1.00 56.80 B H +ATOM 1232 HZ PHE B 77 -12.520 -23.344 22.151 1.00 60.19 B H +ATOM 1233 N GLU B 78 -18.150 -20.408 23.511 1.00 48.60 B N +ANISOU 1233 N GLU B 78 4935 6576 6955 -1538 237 -558 B N +ATOM 1234 CA GLU B 78 -19.056 -21.499 23.195 1.00 54.46 B C +ANISOU 1234 CA GLU B 78 5589 7300 7803 -1617 194 -610 B C +ATOM 1235 C GLU B 78 -19.366 -21.373 21.706 1.00 51.34 B C +ANISOU 1235 C GLU B 78 5154 6937 7416 -1564 27 -653 B C +ATOM 1236 O GLU B 78 -19.789 -20.296 21.256 1.00 55.70 B O +ANISOU 1236 O GLU B 78 5638 7537 7989 -1491 -19 -658 B O +ATOM 1237 CB GLU B 78 -20.337 -21.431 24.038 1.00 69.23 B C +ANISOU 1237 CB GLU B 78 7312 9171 9821 -1670 283 -621 B C +ATOM 1238 CG GLU B 78 -21.299 -22.598 23.853 1.00 97.65 B C +ANISOU 1238 CG GLU B 78 10811 12744 13547 -1763 249 -665 B C +ATOM 1239 CD GLU B 78 -22.512 -22.517 24.778 1.00122.14 B C +ANISOU 1239 CD GLU B 78 13765 15846 16795 -1813 354 -661 B C +ATOM 1240 OE1 GLU B 78 -22.578 -21.574 25.598 1.00124.83 B O +ANISOU 1240 OE1 GLU B 78 14092 16207 17129 -1771 459 -626 B O +ATOM 1241 OE2 GLU B 78 -23.396 -23.398 24.681 1.00106.01 B O +ANISOU 1241 OE2 GLU B 78 11621 13782 14875 -1892 329 -688 B O +ATOM 1242 H GLU B 78 -18.347 -19.679 23.101 1.00 58.33 B H +ATOM 1243 HA GLU B 78 -18.638 -22.357 23.371 1.00 65.36 B H +ATOM 1244 HB2 GLU B 78 -20.086 -21.408 24.975 1.00 83.09 B H +ATOM 1245 HB3 GLU B 78 -20.815 -20.621 23.803 1.00 83.09 B H +ATOM 1246 HG2 GLU B 78 -21.619 -22.602 22.938 1.00117.19 B H +ATOM 1247 HG3 GLU B 78 -20.831 -23.426 24.044 1.00117.19 B H +ATOM 1248 N PRO B 79 -19.165 -22.431 20.918 1.00 56.86 B N +ANISOU 1248 N PRO B 79 5899 7610 8094 -1594 -68 -684 B N +ATOM 1249 CA PRO B 79 -19.494 -22.351 19.485 1.00 57.41 B C +ANISOU 1249 CA PRO B 79 5938 7706 8169 -1539 -232 -729 B C +ATOM 1250 C PRO B 79 -20.967 -22.059 19.243 1.00 58.88 B C +ANISOU 1250 C PRO B 79 5946 7915 8509 -1555 -279 -773 B C +ATOM 1251 O PRO B 79 -21.841 -22.572 19.940 1.00 61.26 B O +ANISOU 1251 O PRO B 79 6148 8193 8934 -1642 -217 -786 B O +ATOM 1252 CB PRO B 79 -19.111 -23.739 18.950 1.00 59.19 B C +ANISOU 1252 CB PRO B 79 6247 7884 8358 -1588 -304 -755 B C +ATOM 1253 CG PRO B 79 -18.129 -24.283 19.946 1.00 57.62 B C +ANISOU 1253 CG PRO B 79 6165 7647 8081 -1634 -182 -709 B C +ATOM 1254 CD PRO B 79 -18.528 -23.713 21.279 1.00 54.48 B C +ANISOU 1254 CD PRO B 79 5698 7254 7749 -1669 -32 -678 B C +ATOM 1255 HA PRO B 79 -18.955 -21.664 19.063 1.00 68.90 B H +ATOM 1256 HB2 PRO B 79 -19.900 -24.302 18.897 1.00 71.04 B H +ATOM 1257 HB3 PRO B 79 -18.706 -23.655 18.073 1.00 71.04 B H +ATOM 1258 HG2 PRO B 79 -18.180 -25.252 19.958 1.00 69.16 B H +ATOM 1259 HG3 PRO B 79 -17.232 -24.001 19.707 1.00 69.16 B H +ATOM 1260 HD2 PRO B 79 -19.156 -24.297 21.731 1.00 65.39 B H +ATOM 1261 HD3 PRO B 79 -17.749 -23.567 21.839 1.00 65.39 B H +ATOM 1262 N LEU B 80 -21.235 -21.231 18.228 1.00 59.71 B N +ANISOU 1262 N LEU B 80 6012 8066 8610 -1469 -389 -794 B N +ATOM 1263 CA LEU B 80 -22.588 -20.981 17.747 1.00 62.80 B C +ANISOU 1263 CA LEU B 80 6240 8480 9140 -1475 -464 -840 B C +ATOM 1264 C LEU B 80 -22.828 -21.594 16.366 1.00 70.65 B C +ANISOU 1264 C LEU B 80 7240 9465 10139 -1460 -644 -896 B C +ATOM 1265 O LEU B 80 -23.769 -21.201 15.667 1.00 72.33 B O +ANISOU 1265 O LEU B 80 7341 9704 10439 -1435 -740 -935 B O +ATOM 1266 CB LEU B 80 -22.886 -19.482 17.702 1.00 62.04 B C +ANISOU 1266 CB LEU B 80 6077 8444 9052 -1387 -452 -824 B C +ATOM 1267 CG LEU B 80 -22.794 -18.723 19.034 1.00 62.91 B C +ANISOU 1267 CG LEU B 80 6174 8564 9165 -1388 -286 -773 B C +ATOM 1268 CD1 LEU B 80 -23.240 -17.275 18.842 1.00 64.58 B C +ANISOU 1268 CD1 LEU B 80 6308 8833 9396 -1300 -297 -766 B C +ATOM 1269 CD2 LEU B 80 -23.601 -19.411 20.127 1.00 64.38 B C +ANISOU 1269 CD2 LEU B 80 6269 8717 9474 -1493 -175 -772 B C +ATOM 1270 H LEU B 80 -20.633 -20.794 17.797 1.00 71.67 B H +ATOM 1271 HA LEU B 80 -23.206 -21.388 18.374 1.00 75.37 B H +ATOM 1272 HB2 LEU B 80 -22.253 -19.069 17.095 1.00 74.46 B H +ATOM 1273 HB3 LEU B 80 -23.789 -19.366 17.370 1.00 74.46 B H +ATOM 1274 HG LEU B 80 -21.871 -18.719 19.331 1.00 75.51 B H +ATOM 1275 HD11 LEU B 80 -23.167 -16.807 19.689 1.00 77.51 B H +ATOM 1276 HD12 LEU B 80 -22.669 -16.853 18.181 1.00 77.51 B H +ATOM 1277 HD13 LEU B 80 -24.161 -17.265 18.537 1.00 77.51 B H +ATOM 1278 HD21 LEU B 80 -23.640 -18.831 20.904 1.00 77.26 B H +ATOM 1279 HD22 LEU B 80 -24.497 -19.583 19.798 1.00 77.26 B H +ATOM 1280 HD23 LEU B 80 -23.169 -20.247 20.361 1.00 77.26 B H +ATOM 1281 N THR B 81 -21.983 -22.540 15.957 1.00 66.29 B N +ANISOU 1281 N THR B 81 6821 8875 9491 -1470 -691 -902 B N +ATOM 1282 CA THR B 81 -22.147 -23.239 14.692 1.00 62.64 B C +ANISOU 1282 CA THR B 81 6386 8393 9021 -1455 -861 -956 B C +ATOM 1283 C THR B 81 -21.357 -24.534 14.767 1.00 65.38 B C +ANISOU 1283 C THR B 81 6866 8682 9294 -1507 -859 -955 B C +ATOM 1284 O THR B 81 -20.358 -24.627 15.483 1.00 65.54 B O +ANISOU 1284 O THR B 81 6991 8693 9219 -1513 -748 -905 B O +ATOM 1285 CB THR B 81 -21.666 -22.410 13.495 1.00 67.95 B C +ANISOU 1285 CB THR B 81 7119 9111 9587 -1324 -972 -958 B C +ATOM 1286 CG2 THR B 81 -20.180 -22.060 13.620 1.00 63.44 B C +ANISOU 1286 CG2 THR B 81 6706 8553 8845 -1255 -908 -896 B C +ATOM 1287 OG1 THR B 81 -21.860 -23.157 12.284 1.00 68.30 B O +ANISOU 1287 OG1 THR B 81 7197 9130 9622 -1307 -1138 -1014 B O +ATOM 1288 H THR B 81 -21.296 -22.797 16.405 1.00 79.56 B H +ATOM 1289 HA THR B 81 -23.088 -23.435 14.559 1.00 75.18 B H +ATOM 1290 HB THR B 81 -22.173 -21.583 13.466 1.00 81.55 B H +ATOM 1291 HG1 THR B 81 -21.647 -22.688 11.620 1.00 81.96 B H +ATOM 1292 HG21 THR B 81 -19.938 -21.398 12.953 1.00 76.14 B H +ATOM 1293 HG22 THR B 81 -19.997 -21.699 14.502 1.00 76.14 B H +ATOM 1294 HG23 THR B 81 -19.639 -22.854 13.487 1.00 76.14 B H +ATOM 1295 N GLU B 82 -21.814 -25.530 14.026 1.00 67.53 B N +ANISOU 1295 N GLU B 82 7136 8914 9610 -1545 -986 -1010 B N +ATOM 1296 CA GLU B 82 -21.039 -26.746 13.822 1.00 71.86 B C +ANISOU 1296 CA GLU B 82 7826 9406 10070 -1573 -1017 -1017 B C +ATOM 1297 C GLU B 82 -20.139 -26.645 12.599 1.00 66.61 B C +ANISOU 1297 C GLU B 82 7304 8756 9249 -1456 -1131 -1021 B C +ATOM 1298 O GLU B 82 -19.314 -27.536 12.380 1.00 70.69 B O +ANISOU 1298 O GLU B 82 7960 9234 9665 -1457 -1150 -1017 B O +ATOM 1299 CB GLU B 82 -21.984 -27.952 13.693 1.00 86.51 B C +ANISOU 1299 CB GLU B 82 9614 11201 12055 -1677 -1099 -1074 B C +ATOM 1300 CG GLU B 82 -21.309 -29.307 13.859 1.00 99.55 B C +ANISOU 1300 CG GLU B 82 11394 12787 13645 -1738 -1094 -1077 B C +ATOM 1301 CD GLU B 82 -22.313 -30.442 14.015 1.00110.85 B C +ANISOU 1301 CD GLU B 82 12737 14154 15228 -1860 -1147 -1122 B C +ATOM 1302 OE1 GLU B 82 -23.530 -30.159 14.072 1.00107.55 B O +ANISOU 1302 OE1 GLU B 82 12151 13743 14969 -1901 -1176 -1143 B O +ATOM 1303 OE2 GLU B 82 -21.884 -31.614 14.081 1.00110.59 B O +ANISOU 1303 OE2 GLU B 82 12801 14060 15157 -1915 -1161 -1131 B O +ATOM 1304 H GLU B 82 -22.576 -25.527 13.627 1.00 81.05 B H +ATOM 1305 HA GLU B 82 -20.474 -26.911 14.593 1.00 86.24 B H +ATOM 1306 HB2 GLU B 82 -22.670 -27.880 14.375 1.00103.82 B H +ATOM 1307 HB3 GLU B 82 -22.389 -27.933 12.811 1.00103.82 B H +ATOM 1308 HG2 GLU B 82 -20.767 -29.489 13.076 1.00119.47 B H +ATOM 1309 HG3 GLU B 82 -20.751 -29.287 14.652 1.00119.47 B H +ATOM 1310 N ASP B 83 -20.273 -25.582 11.810 1.00 67.61 B N +ANISOU 1310 N ASP B 83 7400 8937 9351 -1352 -1202 -1025 B N +ATOM 1311 CA ASP B 83 -19.395 -25.377 10.668 1.00 69.95 B C +ANISOU 1311 CA ASP B 83 7830 9252 9495 -1228 -1297 -1018 B C +ATOM 1312 C ASP B 83 -17.965 -25.144 11.139 1.00 66.97 B C +ANISOU 1312 C ASP B 83 7588 8888 8969 -1184 -1183 -940 B C +ATOM 1313 O ASP B 83 -17.720 -24.446 12.132 1.00 59.24 B O +ANISOU 1313 O ASP B 83 6576 7933 8000 -1202 -1047 -888 B O +ATOM 1314 CB ASP B 83 -19.861 -24.190 9.826 1.00 66.24 B C +ANISOU 1314 CB ASP B 83 7289 8842 9038 -1127 -1382 -1031 B C +ATOM 1315 CG ASP B 83 -21.075 -24.520 8.975 1.00 71.36 B C +ANISOU 1315 CG ASP B 83 7844 9473 9798 -1143 -1540 -1111 B C +ATOM 1316 OD1 ASP B 83 -21.434 -25.713 8.882 1.00 69.09 B O +ANISOU 1316 OD1 ASP B 83 7568 9123 9559 -1219 -1603 -1155 B O +ATOM 1317 OD2 ASP B 83 -21.676 -23.585 8.408 1.00 72.94 B O +ANISOU 1317 OD2 ASP B 83 7958 9718 10039 -1079 -1605 -1128 B O +ATOM 1318 H ASP B 83 -20.864 -24.966 11.916 1.00 81.14 B H +ATOM 1319 HA ASP B 83 -19.416 -26.167 10.105 1.00 83.95 B H +ATOM 1320 HB2 ASP B 83 -20.098 -23.457 10.416 1.00 79.50 B H +ATOM 1321 HB3 ASP B 83 -19.143 -23.920 9.233 1.00 79.50 B H +ATOM 1322 N MET B 84 -17.025 -25.739 10.422 1.00 70.88 B N +ANISOU 1322 N MET B 84 8237 9365 9329 -1125 -1241 -930 B N +ATOM 1323 CA MET B 84 -15.607 -25.613 10.714 1.00 71.61 B C +ANISOU 1323 CA MET B 84 8467 9467 9276 -1076 -1150 -852 B C +ATOM 1324 C MET B 84 -14.940 -24.865 9.576 1.00 70.84 B C +ANISOU 1324 C MET B 84 8445 9415 9056 -925 -1229 -822 B C +ATOM 1325 O MET B 84 -15.193 -25.155 8.402 1.00 72.06 B O +ANISOU 1325 O MET B 84 8631 9565 9182 -862 -1371 -869 B O +ATOM 1326 CB MET B 84 -14.961 -26.987 10.886 1.00 70.25 B C +ANISOU 1326 CB MET B 84 8419 9234 9040 -1129 -1136 -851 B C +ATOM 1327 CG MET B 84 -15.496 -27.737 12.075 1.00 79.91 B C +ANISOU 1327 CG MET B 84 9576 10411 10375 -1276 -1044 -869 B C +ATOM 1328 SD MET B 84 -14.933 -26.991 13.609 1.00 74.71 B S +ANISOU 1328 SD MET B 84 8898 9774 9716 -1317 -840 -789 B S +ATOM 1329 CE MET B 84 -13.271 -27.636 13.700 1.00 64.93 B C +ANISOU 1329 CE MET B 84 7859 8511 8302 -1286 -785 -722 B C +ATOM 1330 H MET B 84 -17.189 -26.236 9.739 1.00 85.06 B H +ATOM 1331 HA MET B 84 -15.487 -25.121 11.542 1.00 85.95 B H +ATOM 1332 HB2 MET B 84 -15.134 -27.518 10.094 1.00 84.31 B H +ATOM 1333 HB3 MET B 84 -14.006 -26.874 11.009 1.00 84.31 B H +ATOM 1334 HG2 MET B 84 -16.466 -27.717 12.060 1.00 95.90 B H +ATOM 1335 HG3 MET B 84 -15.183 -28.655 12.046 1.00 95.90 B H +ATOM 1336 HE1 MET B 84 -12.913 -27.462 14.585 1.00 77.93 B H +ATOM 1337 HE2 MET B 84 -13.294 -28.592 13.535 1.00 77.93 B H +ATOM 1338 HE3 MET B 84 -12.725 -27.197 13.030 1.00 77.93 B H +ATOM 1339 N ASP B 85 -14.104 -23.904 9.928 1.00 59.50 B N +ANISOU 1339 N ASP B 85 7038 8019 7549 -866 -1140 -743 B N +ATOM 1340 CA ASP B 85 -13.304 -23.184 8.962 1.00 56.39 B C +ANISOU 1340 CA ASP B 85 6723 7670 7033 -723 -1193 -695 B C +ATOM 1341 C ASP B 85 -11.833 -23.337 9.312 1.00 58.72 B C +ANISOU 1341 C ASP B 85 7156 7958 7196 -693 -1103 -603 B C +ATOM 1342 O ASP B 85 -11.457 -23.571 10.467 1.00 58.12 B O +ANISOU 1342 O ASP B 85 7091 7858 7134 -776 -981 -568 B O +ATOM 1343 CB ASP B 85 -13.673 -21.700 8.910 1.00 70.67 B C +ANISOU 1343 CB ASP B 85 8429 9539 8885 -664 -1188 -675 B C +ATOM 1344 CG ASP B 85 -14.998 -21.458 8.216 1.00 77.16 B C +ANISOU 1344 CG ASP B 85 9131 10375 9810 -657 -1304 -759 B C +ATOM 1345 OD1 ASP B 85 -15.465 -22.365 7.504 1.00 80.59 B O +ANISOU 1345 OD1 ASP B 85 9586 10777 10258 -668 -1414 -824 B O +ATOM 1346 OD2 ASP B 85 -15.565 -20.361 8.382 1.00 86.57 B O +ANISOU 1346 OD2 ASP B 85 10212 11609 11071 -640 -1289 -757 B O +ATOM 1347 H ASP B 85 -13.981 -23.648 10.740 1.00 71.41 B H +ATOM 1348 HA ASP B 85 -13.457 -23.556 8.079 1.00 67.68 B H +ATOM 1349 HB2 ASP B 85 -13.741 -21.358 9.815 1.00 84.82 B H +ATOM 1350 HB3 ASP B 85 -12.986 -21.219 8.423 1.00 84.82 B H +ATOM 1351 N GLN B 86 -11.011 -23.167 8.298 1.00 55.29 B N +ANISOU 1351 N GLN B 86 6825 7546 6636 -567 -1164 -561 B N +ATOM 1352 CA GLN B 86 -9.569 -23.253 8.411 1.00 58.02 B C +ANISOU 1352 CA GLN B 86 7303 7892 6850 -515 -1095 -465 B C +ATOM 1353 C GLN B 86 -8.960 -21.864 8.483 1.00 49.47 B C +ANISOU 1353 C GLN B 86 6202 6862 5732 -434 -1047 -377 B C +ATOM 1354 O GLN B 86 -9.386 -20.953 7.774 1.00 49.78 B O +ANISOU 1354 O GLN B 86 6181 6946 5788 -355 -1116 -387 B O +ATOM 1355 CB GLN B 86 -9.021 -24.001 7.195 1.00 55.30 B C +ANISOU 1355 CB GLN B 86 7092 7537 6384 -418 -1194 -466 B C +ATOM 1356 CG GLN B 86 -7.738 -24.696 7.433 1.00 67.30 B C +ANISOU 1356 CG GLN B 86 8752 9031 7787 -407 -1125 -392 B C +ATOM 1357 CD GLN B 86 -7.455 -25.697 6.351 1.00 67.55 B C +ANISOU 1357 CD GLN B 86 8910 9039 7718 -335 -1224 -418 B C +ATOM 1358 NE2 GLN B 86 -7.620 -26.976 6.668 1.00 76.17 B N +ANISOU 1358 NE2 GLN B 86 10048 10071 8821 -424 -1226 -469 B N +ATOM 1359 OE1 GLN B 86 -7.113 -25.325 5.231 1.00 74.55 B O +ANISOU 1359 OE1 GLN B 86 9852 9958 8516 -197 -1300 -392 B O +ATOM 1360 H GLN B 86 -11.275 -22.994 7.498 1.00 66.36 B H +ATOM 1361 HA GLN B 86 -9.319 -23.721 9.223 1.00 69.64 B H +ATOM 1362 HB2 GLN B 86 -9.671 -24.669 6.924 1.00 66.38 B H +ATOM 1363 HB3 GLN B 86 -8.882 -23.364 6.477 1.00 66.38 B H +ATOM 1364 HG2 GLN B 86 -7.018 -24.046 7.445 1.00 80.77 B H +ATOM 1365 HG3 GLN B 86 -7.778 -25.164 8.281 1.00 80.77 B H +ATOM 1366 HE21 GLN B 86 -7.877 -27.193 7.459 1.00 91.41 B H +ATOM 1367 HE22 GLN B 86 -7.470 -27.587 6.081 1.00 91.41 B H +ATOM 1368 N TYR B 87 -7.953 -21.710 9.336 1.00 47.55 B N +ANISOU 1368 N TYR B 87 6012 6611 5442 -455 -933 -289 B N +ATOM 1369 CA TYR B 87 -7.170 -20.492 9.369 1.00 43.31 B C +ANISOU 1369 CA TYR B 87 5481 6116 4859 -374 -893 -190 B C +ATOM 1370 C TYR B 87 -5.710 -20.862 9.593 1.00 43.14 B C +ANISOU 1370 C TYR B 87 5590 6077 4723 -348 -824 -87 B C +ATOM 1371 O TYR B 87 -5.401 -21.689 10.451 1.00 44.32 B O +ANISOU 1371 O TYR B 87 5785 6182 4873 -440 -748 -84 B O +ATOM 1372 CB TYR B 87 -7.639 -19.537 10.477 1.00 46.64 B C +ANISOU 1372 CB TYR B 87 5792 6547 5382 -442 -812 -186 B C +ATOM 1373 CG TYR B 87 -7.283 -18.107 10.184 1.00 44.02 B C +ANISOU 1373 CG TYR B 87 5431 6264 5030 -345 -821 -116 B C +ATOM 1374 CD1 TYR B 87 -6.018 -17.623 10.463 1.00 46.92 B C +ANISOU 1374 CD1 TYR B 87 5873 6635 5320 -300 -761 1 B C +ATOM 1375 CD2 TYR B 87 -8.200 -17.246 9.606 1.00 46.87 B C +ANISOU 1375 CD2 TYR B 87 5690 6666 5452 -297 -894 -163 B C +ATOM 1376 CE1 TYR B 87 -5.670 -16.324 10.190 1.00 42.33 B C +ANISOU 1376 CE1 TYR B 87 5265 6095 4724 -212 -773 70 B C +ATOM 1377 CE2 TYR B 87 -7.870 -15.942 9.322 1.00 42.19 B C +ANISOU 1377 CE2 TYR B 87 5073 6118 4841 -207 -904 -98 B C +ATOM 1378 CZ TYR B 87 -6.609 -15.482 9.609 1.00 48.81 B C +ANISOU 1378 CZ TYR B 87 5985 6956 5603 -165 -845 18 B C +ATOM 1379 OH TYR B 87 -6.273 -14.181 9.320 1.00 50.94 B O +ANISOU 1379 OH TYR B 87 6229 7266 5861 -78 -861 87 B O +ATOM 1380 H TYR B 87 -7.707 -22.304 9.908 1.00 57.06 B H +ATOM 1381 HA TYR B 87 -7.253 -20.027 8.522 1.00 51.98 B H +ATOM 1382 HB2 TYR B 87 -8.604 -19.597 10.561 1.00 55.98 B H +ATOM 1383 HB3 TYR B 87 -7.217 -19.788 11.313 1.00 55.98 B H +ATOM 1384 HD1 TYR B 87 -5.389 -18.191 10.845 1.00 56.32 B H +ATOM 1385 HD2 TYR B 87 -9.053 -17.556 9.406 1.00 56.25 B H +ATOM 1386 HE1 TYR B 87 -4.817 -16.012 10.391 1.00 50.81 B H +ATOM 1387 HE2 TYR B 87 -8.499 -15.375 8.937 1.00 50.65 B H +ATOM 1388 HH TYR B 87 -6.913 -13.798 8.934 1.00 61.14 B H +ATOM 1389 N GLN B 88 -4.818 -20.244 8.827 1.00 40.40 B N +ANISOU 1389 N GLN B 88 5302 5766 4283 -222 -850 2 B N +ATOM 1390 CA GLN B 88 -3.386 -20.517 8.958 1.00 40.50 B C +ANISOU 1390 CA GLN B 88 5434 5767 4188 -184 -788 114 B C +ATOM 1391 C GLN B 88 -2.837 -19.654 10.089 1.00 41.75 B C +ANISOU 1391 C GLN B 88 5562 5923 4377 -228 -687 196 B C +ATOM 1392 O GLN B 88 -2.667 -18.442 9.930 1.00 45.83 B O +ANISOU 1392 O GLN B 88 6035 6477 4903 -163 -696 253 B O +ATOM 1393 CB GLN B 88 -2.651 -20.258 7.634 1.00 44.56 B C +ANISOU 1393 CB GLN B 88 6023 6318 4589 -24 -857 184 B C +ATOM 1394 CG GLN B 88 -1.204 -20.747 7.680 1.00 43.24 B C +ANISOU 1394 CG GLN B 88 5984 6137 4309 17 -797 298 B C +ATOM 1395 CD GLN B 88 -0.684 -21.204 6.333 1.00 45.96 B C +ANISOU 1395 CD GLN B 88 6432 6499 4533 154 -869 329 B C +ATOM 1396 NE2 GLN B 88 0.491 -21.828 6.332 1.00 43.62 B N +ANISOU 1396 NE2 GLN B 88 6251 6186 4137 188 -819 419 B N +ATOM 1397 OE1 GLN B 88 -1.343 -21.026 5.303 1.00 45.77 B O +ANISOU 1397 OE1 GLN B 88 6386 6501 4503 232 -970 270 B O +ATOM 1398 H GLN B 88 -5.014 -19.662 8.225 1.00 48.42 B H +ATOM 1399 HA GLN B 88 -3.250 -21.451 9.182 1.00 48.61 B H +ATOM 1400 HB2 GLN B 88 -3.108 -20.726 6.918 1.00 53.48 B H +ATOM 1401 HB3 GLN B 88 -2.644 -19.304 7.455 1.00 53.48 B H +ATOM 1402 HG2 GLN B 88 -0.637 -20.023 7.988 1.00 51.90 B H +ATOM 1403 HG3 GLN B 88 -1.146 -21.498 8.291 1.00 51.90 B H +ATOM 1404 HE21 GLN B 88 0.912 -21.953 7.071 1.00 52.36 B H +ATOM 1405 HE22 GLN B 88 0.829 -22.107 5.592 1.00 52.36 B H +ATOM 1406 N GLU B 89 -2.560 -20.284 11.221 1.00 38.21 B N +ANISOU 1406 N GLU B 89 5143 5429 3947 -337 -595 202 B N +ATOM 1407 CA GLU B 89 -2.234 -19.603 12.457 1.00 39.81 B C +ANISOU 1407 CA GLU B 89 5316 5616 4193 -400 -500 256 B C +ATOM 1408 C GLU B 89 -0.751 -19.687 12.771 1.00 39.01 B C +ANISOU 1408 C GLU B 89 5320 5497 4004 -375 -438 383 B C +ATOM 1409 O GLU B 89 -0.117 -20.712 12.518 1.00 42.55 B O +ANISOU 1409 O GLU B 89 5866 5925 4376 -369 -430 404 B O +ATOM 1410 CB GLU B 89 -3.006 -20.209 13.628 1.00 40.57 B C +ANISOU 1410 CB GLU B 89 5367 5669 4377 -543 -434 175 B C +ATOM 1411 CG GLU B 89 -4.513 -20.057 13.537 1.00 45.64 B C +ANISOU 1411 CG GLU B 89 5889 6325 5127 -583 -480 58 B C +ATOM 1412 CD GLU B 89 -5.218 -20.650 14.753 1.00 41.56 B C +ANISOU 1412 CD GLU B 89 5326 5765 4699 -722 -401 -7 B C +ATOM 1413 OE1 GLU B 89 -4.619 -20.653 15.851 1.00 43.09 B O +ANISOU 1413 OE1 GLU B 89 5558 5928 4887 -779 -303 45 B O +ATOM 1414 OE2 GLU B 89 -6.351 -21.128 14.592 1.00 44.24 B O +ANISOU 1414 OE2 GLU B 89 5594 6100 5115 -770 -441 -105 B O +ATOM 1415 H GLU B 89 -2.555 -21.141 11.298 1.00 45.80 B H +ATOM 1416 HA GLU B 89 -2.467 -18.667 12.350 1.00 47.78 B H +ATOM 1417 HB2 GLU B 89 -2.810 -21.158 13.670 1.00 48.69 B H +ATOM 1418 HB3 GLU B 89 -2.717 -19.774 14.446 1.00 48.69 B H +ATOM 1419 HG2 GLU B 89 -4.737 -19.114 13.487 1.00 54.78 B H +ATOM 1420 HG3 GLU B 89 -4.833 -20.517 12.746 1.00 54.78 B H +ATOM 1421 N GLY B 90 -0.214 -18.590 13.308 1.00 36.71 B N +ANISOU 1421 N GLY B 90 4387 4681 4882 -7 -174 137 B N +ATOM 1422 CA GLY B 90 1.066 -18.596 13.973 1.00 39.24 B C +ANISOU 1422 CA GLY B 90 4715 4960 5235 7 -167 211 B C +ATOM 1423 C GLY B 90 0.871 -18.209 15.433 1.00 38.99 B C +ANISOU 1423 C GLY B 90 4647 4976 5192 -66 -181 207 B C +ATOM 1424 O GLY B 90 -0.220 -17.828 15.856 1.00 36.63 B O +ANISOU 1424 O GLY B 90 4312 4741 4864 -117 -179 144 B O +ATOM 1425 H GLY B 90 -0.590 -17.816 13.294 1.00 44.07 B H +ATOM 1426 HA2 GLY B 90 1.463 -19.480 13.928 1.00 47.10 B H +ATOM 1427 HA3 GLY B 90 1.665 -17.960 13.552 1.00 47.10 B H +ATOM 1428 N CYS B 91 1.948 -18.319 16.199 1.00 37.70 B N +ANISOU 1428 N CYS B 91 4498 4772 5053 -72 -196 275 B N +ATOM 1429 CA CYS B 91 1.876 -18.120 17.637 1.00 38.67 B C +ANISOU 1429 CA CYS B 91 4622 4919 5150 -150 -217 281 B C +ATOM 1430 C CYS B 91 3.210 -17.563 18.094 1.00 39.83 B C +ANISOU 1430 C CYS B 91 4758 5026 5349 -116 -250 353 B C +ATOM 1431 O CYS B 91 4.256 -18.089 17.707 1.00 37.93 B O +ANISOU 1431 O CYS B 91 4529 4718 5163 -68 -260 417 B O +ATOM 1432 CB CYS B 91 1.578 -19.435 18.365 1.00 33.64 B C +ANISOU 1432 CB CYS B 91 4054 4260 4469 -239 -222 289 B C +ATOM 1433 SG CYS B 91 1.389 -19.254 20.185 1.00 36.52 B S +ANISOU 1433 SG CYS B 91 4458 4641 4777 -350 -240 291 B S +ATOM 1434 H CYS B 91 2.735 -18.509 15.908 1.00 45.25 B H +ATOM 1435 HA CYS B 91 1.171 -17.489 17.851 1.00 46.41 B H +ATOM 1436 HB2 CYS B 91 0.750 -19.802 18.017 1.00 40.38 B H +ATOM 1437 HB3 CYS B 91 2.308 -20.052 18.203 1.00 40.38 B H +ATOM 1438 N LEU B 92 3.173 -16.507 18.910 1.00 35.62 B N +ANISOU 1438 N LEU B 92 4202 4528 4804 -142 -266 343 B N +ATOM 1439 CA LEU B 92 4.430 -15.953 19.417 1.00 36.96 B C +ANISOU 1439 CA LEU B 92 4361 4657 5024 -121 -312 413 B C +ATOM 1440 C LEU B 92 5.169 -16.953 20.300 1.00 41.27 B C +ANISOU 1440 C LEU B 92 4964 5140 5576 -170 -366 480 B C +ATOM 1441 O LEU B 92 6.387 -16.839 20.473 1.00 40.01 B O +ANISOU 1441 O LEU B 92 4787 4926 5488 -139 -415 552 B O +ATOM 1442 CB LEU B 92 4.154 -14.669 20.171 1.00 38.53 B C +ANISOU 1442 CB LEU B 92 4543 4901 5194 -150 -321 384 B C +ATOM 1443 CG LEU B 92 3.672 -13.486 19.292 1.00 39.66 B C +ANISOU 1443 CG LEU B 92 4628 5093 5349 -84 -282 330 B C +ATOM 1444 CD1 LEU B 92 3.299 -12.299 20.165 1.00 41.25 B C +ANISOU 1444 CD1 LEU B 92 4825 5335 5513 -120 -285 297 B C +ATOM 1445 CD2 LEU B 92 4.766 -13.137 18.319 1.00 40.19 B C +ANISOU 1445 CD2 LEU B 92 4659 5116 5495 7 -282 379 B C +ATOM 1446 H LEU B 92 2.459 -16.108 19.176 1.00 42.76 B H +ATOM 1447 HA LEU B 92 5.014 -15.733 18.674 1.00 44.36 B H +ATOM 1448 HB2 LEU B 92 3.464 -14.842 20.830 1.00 46.24 B H +ATOM 1449 HB3 LEU B 92 4.972 -14.390 20.612 1.00 46.24 B H +ATOM 1450 HG LEU B 92 2.877 -13.727 18.791 1.00 47.61 B H +ATOM 1451 HD11 LEU B 92 3.019 -11.565 19.596 1.00 49.51 B H +ATOM 1452 HD12 LEU B 92 2.572 -12.557 20.753 1.00 49.51 B H +ATOM 1453 HD13 LEU B 92 4.072 -12.037 20.688 1.00 49.51 B H +ATOM 1454 HD21 LEU B 92 4.535 -12.311 17.866 1.00 48.24 B H +ATOM 1455 HD22 LEU B 92 5.598 -13.026 18.805 1.00 48.24 B H +ATOM 1456 HD23 LEU B 92 4.854 -13.855 17.672 1.00 48.24 B H +ATOM 1457 N SER B 93 4.474 -17.944 20.856 1.00 38.36 B N +ANISOU 1457 N SER B 93 4662 4773 5141 -247 -363 461 B N +ATOM 1458 CA SER B 93 5.157 -19.005 21.597 1.00 38.92 B C +ANISOU 1458 CA SER B 93 4802 4773 5212 -288 -419 527 B C +ATOM 1459 C SER B 93 5.603 -20.164 20.712 1.00 41.31 B C +ANISOU 1459 C SER B 93 5113 5019 5565 -234 -406 561 B C +ATOM 1460 O SER B 93 6.228 -21.098 21.218 1.00 43.21 B O +ANISOU 1460 O SER B 93 5408 5192 5819 -253 -455 620 B O +ATOM 1461 CB SER B 93 4.254 -19.544 22.700 1.00 42.31 B C +ANISOU 1461 CB SER B 93 5322 5217 5538 -404 -416 493 B C +ATOM 1462 OG SER B 93 3.917 -18.512 23.612 1.00 38.77 B O +ANISOU 1462 OG SER B 93 4885 4806 5041 -457 -421 465 B O +ATOM 1463 H SER B 93 3.619 -18.023 20.819 1.00 46.05 B H +ATOM 1464 HA SER B 93 5.946 -18.621 22.011 1.00 46.71 B H +ATOM 1465 HB2 SER B 93 3.441 -19.894 22.302 1.00 50.79 B H +ATOM 1466 HB3 SER B 93 4.720 -20.249 23.176 1.00 50.79 B H +ATOM 1467 HG SER B 93 4.612 -18.215 23.979 1.00 46.54 B H +ATOM 1468 N VAL B 94 5.277 -20.149 19.422 1.00 40.05 B N +ANISOU 1468 N VAL B 94 4914 4877 5426 -168 -344 526 B N +ATOM 1469 CA VAL B 94 5.776 -21.164 18.490 1.00 40.01 B C +ANISOU 1469 CA VAL B 94 4927 4808 5467 -109 -321 559 B C +ATOM 1470 C VAL B 94 6.374 -20.388 17.320 1.00 43.19 B C +ANISOU 1470 C VAL B 94 5263 5202 5947 -4 -280 566 B C +ATOM 1471 O VAL B 94 5.902 -20.510 16.182 1.00 40.61 B O +ANISOU 1471 O VAL B 94 4944 4881 5605 38 -224 527 B O +ATOM 1472 CB VAL B 94 4.676 -22.114 18.005 1.00 38.26 B C +ANISOU 1472 CB VAL B 94 4761 4602 5175 -147 -278 503 B C +ATOM 1473 CG1 VAL B 94 5.300 -23.257 17.197 1.00 44.35 B C +ANISOU 1473 CG1 VAL B 94 5576 5289 5986 -92 -257 545 B C +ATOM 1474 CG2 VAL B 94 3.854 -22.659 19.146 1.00 38.15 B C +ANISOU 1474 CG2 VAL B 94 4808 4611 5075 -263 -297 477 B C +ATOM 1475 H VAL B 94 4.768 -19.560 19.058 1.00 48.07 B H +ATOM 1476 HA VAL B 94 6.443 -21.717 18.926 1.00 48.02 B H +ATOM 1477 HB VAL B 94 4.070 -21.614 17.436 1.00 45.93 B H +ATOM 1478 HG11 VAL B 94 4.594 -23.842 16.881 1.00 53.23 B H +ATOM 1479 HG12 VAL B 94 5.783 -22.884 16.443 1.00 53.23 B H +ATOM 1480 HG13 VAL B 94 5.908 -23.752 17.768 1.00 53.23 B H +ATOM 1481 HG21 VAL B 94 3.255 -23.342 18.806 1.00 45.79 B H +ATOM 1482 HG22 VAL B 94 4.449 -23.041 19.810 1.00 45.79 B H +ATOM 1483 HG23 VAL B 94 3.341 -21.935 19.539 1.00 45.79 B H +ATOM 1484 N PRO B 95 7.401 -19.580 17.554 1.00 46.69 B N +ANISOU 1484 N PRO B 95 5648 5624 6468 35 -308 616 B N +ATOM 1485 CA PRO B 95 7.787 -18.557 16.562 1.00 43.51 B C +ANISOU 1485 CA PRO B 95 5183 5226 6121 118 -261 609 B C +ATOM 1486 C PRO B 95 8.320 -19.161 15.269 1.00 45.85 B C +ANISOU 1486 C PRO B 95 5490 5455 6475 201 -192 629 B C +ATOM 1487 O PRO B 95 9.175 -20.045 15.284 1.00 44.33 B O +ANISOU 1487 O PRO B 95 5306 5187 6351 227 -193 688 B O +ATOM 1488 CB PRO B 95 8.866 -17.748 17.296 1.00 45.70 B C +ANISOU 1488 CB PRO B 95 5401 5484 6478 123 -316 668 B C +ATOM 1489 CG PRO B 95 9.418 -18.706 18.325 1.00 49.17 B C +ANISOU 1489 CG PRO B 95 5872 5871 6939 77 -391 728 B C +ATOM 1490 CD PRO B 95 8.223 -19.530 18.777 1.00 42.93 B C +ANISOU 1490 CD PRO B 95 5167 5115 6029 -2 -392 679 B C +ATOM 1491 HA PRO B 95 7.023 -17.997 16.351 1.00 52.22 B H +ATOM 1492 HB2 PRO B 95 9.555 -17.470 16.672 1.00 54.85 B H +ATOM 1493 HB3 PRO B 95 8.469 -16.971 17.719 1.00 54.85 B H +ATOM 1494 HG2 PRO B 95 10.095 -19.270 17.921 1.00 59.01 B H +ATOM 1495 HG3 PRO B 95 9.798 -18.211 19.067 1.00 59.01 B H +ATOM 1496 HD2 PRO B 95 8.495 -20.419 19.052 1.00 51.52 B H +ATOM 1497 HD3 PRO B 95 7.748 -19.090 19.499 1.00 51.52 B H +ATOM 1498 N GLY B 96 7.814 -18.657 14.143 1.00 48.08 B N +ANISOU 1498 N GLY B 96 5781 5760 6729 246 -131 579 B N +ATOM 1499 CA GLY B 96 8.316 -19.018 12.835 1.00 47.80 B C +ANISOU 1499 CA GLY B 96 5773 5653 6734 327 -53 592 B C +ATOM 1500 C GLY B 96 7.531 -20.084 12.108 1.00 50.80 B C +ANISOU 1500 C GLY B 96 6244 6016 7042 320 -21 554 B C +ATOM 1501 O GLY B 96 7.920 -20.461 10.989 1.00 46.05 B O +ANISOU 1501 O GLY B 96 5692 5345 6461 383 50 563 B O +ATOM 1502 H GLY B 96 7.165 -18.092 14.119 1.00 57.71 B H +ATOM 1503 HA2 GLY B 96 8.319 -18.224 12.277 1.00 57.37 B H +ATOM 1504 HA3 GLY B 96 9.226 -19.339 12.933 1.00 57.37 B H +ATOM 1505 N PHE B 97 6.443 -20.581 12.691 1.00 38.42 B N +ANISOU 1505 N PHE B 97 4707 4502 5388 240 -66 511 B N +ATOM 1506 CA PHE B 97 5.666 -21.656 12.104 1.00 38.94 B C +ANISOU 1506 CA PHE B 97 4859 4551 5387 217 -49 476 B C +ATOM 1507 C PHE B 97 4.231 -21.197 11.949 1.00 42.22 B C +ANISOU 1507 C PHE B 97 5274 5051 5718 170 -72 393 B C +ATOM 1508 O PHE B 97 3.681 -20.547 12.843 1.00 44.73 B O +ANISOU 1508 O PHE B 97 5536 5444 6017 117 -112 366 B O +ATOM 1509 CB PHE B 97 5.760 -22.922 12.968 1.00 39.86 B C +ANISOU 1509 CB PHE B 97 5014 4636 5495 159 -78 509 B C +ATOM 1510 CG PHE B 97 7.171 -23.416 13.135 1.00 39.76 B C +ANISOU 1510 CG PHE B 97 4993 4533 5581 211 -67 593 B C +ATOM 1511 CD1 PHE B 97 7.960 -22.943 14.165 1.00 43.28 B C +ANISOU 1511 CD1 PHE B 97 5369 4981 6094 204 -120 645 B C +ATOM 1512 CD2 PHE B 97 7.709 -24.318 12.244 1.00 46.41 B C +ANISOU 1512 CD2 PHE B 97 5896 5283 6455 270 -5 620 B C +ATOM 1513 CE1 PHE B 97 9.262 -23.390 14.320 1.00 48.37 B C +ANISOU 1513 CE1 PHE B 97 5989 5539 6850 255 -122 724 B C +ATOM 1514 CE2 PHE B 97 9.009 -24.773 12.389 1.00 49.18 B C +ANISOU 1514 CE2 PHE B 97 6224 5546 6917 326 10 697 B C +ATOM 1515 CZ PHE B 97 9.786 -24.300 13.436 1.00 47.60 B C +ANISOU 1515 CZ PHE B 97 5936 5351 6797 319 -54 750 B C +ATOM 1516 H PHE B 97 6.133 -20.302 13.444 1.00 46.11 B H +ATOM 1517 HA PHE B 97 5.998 -21.881 11.221 1.00 46.74 B H +ATOM 1518 HB2 PHE B 97 5.405 -22.729 13.849 1.00 47.84 B H +ATOM 1519 HB3 PHE B 97 5.244 -23.628 12.549 1.00 47.84 B H +ATOM 1520 HD1 PHE B 97 7.614 -22.318 14.760 1.00 51.95 B H +ATOM 1521 HD2 PHE B 97 7.192 -24.625 11.535 1.00 55.71 B H +ATOM 1522 HE1 PHE B 97 9.781 -23.074 15.024 1.00 58.05 B H +ATOM 1523 HE2 PHE B 97 9.359 -25.392 11.789 1.00 59.03 B H +ATOM 1524 HZ PHE B 97 10.661 -24.599 13.538 1.00 57.13 B H +ATOM 1525 N TYR B 98 3.648 -21.505 10.795 1.00 40.12 B N +ANISOU 1525 N TYR B 98 5072 4765 5406 192 -49 353 B N +ATOM 1526 CA TYR B 98 2.303 -21.050 10.452 1.00 40.64 B C +ANISOU 1526 CA TYR B 98 5131 4900 5410 160 -81 275 B C +ATOM 1527 C TYR B 98 1.592 -22.244 9.832 1.00 41.05 B C +ANISOU 1527 C TYR B 98 5272 4920 5405 125 -84 246 B C +ATOM 1528 O TYR B 98 2.026 -22.744 8.795 1.00 40.97 B O +ANISOU 1528 O TYR B 98 5351 4829 5386 176 -46 263 B O +ATOM 1529 CB TYR B 98 2.353 -19.858 9.483 1.00 45.94 B C +ANISOU 1529 CB TYR B 98 5794 5574 6087 236 -68 254 B C +ATOM 1530 CG TYR B 98 3.095 -18.650 10.040 1.00 41.19 B C +ANISOU 1530 CG TYR B 98 5111 4998 5542 269 -63 283 B C +ATOM 1531 CD1 TYR B 98 2.442 -17.723 10.838 1.00 39.26 B C +ANISOU 1531 CD1 TYR B 98 4789 4839 5289 232 -104 246 B C +ATOM 1532 CD2 TYR B 98 4.448 -18.467 9.788 1.00 42.69 B C +ANISOU 1532 CD2 TYR B 98 5301 5119 5799 334 -12 347 B C +ATOM 1533 CE1 TYR B 98 3.106 -16.627 11.349 1.00 46.03 B C +ANISOU 1533 CE1 TYR B 98 5585 5714 6190 257 -102 272 B C +ATOM 1534 CE2 TYR B 98 5.132 -17.375 10.320 1.00 45.66 B C +ANISOU 1534 CE2 TYR B 98 5601 5516 6232 355 -15 375 B C +ATOM 1535 CZ TYR B 98 4.447 -16.461 11.094 1.00 44.68 B C +ANISOU 1535 CZ TYR B 98 5415 5478 6085 315 -64 337 B C +ATOM 1536 OH TYR B 98 5.103 -15.380 11.625 1.00 51.27 B O +ANISOU 1536 OH TYR B 98 6187 6328 6967 331 -70 363 B O +ATOM 1537 H TYR B 98 4.016 -21.984 10.183 1.00 48.15 B H +ATOM 1538 HA TYR B 98 1.817 -20.759 11.239 1.00 48.78 B H +ATOM 1539 HB2 TYR B 98 2.805 -20.135 8.670 1.00 55.14 B H +ATOM 1540 HB3 TYR B 98 1.446 -19.582 9.280 1.00 55.14 B H +ATOM 1541 HD1 TYR B 98 1.541 -17.843 11.033 1.00 47.13 B H +ATOM 1542 HD2 TYR B 98 4.904 -19.081 9.258 1.00 51.24 B H +ATOM 1543 HE1 TYR B 98 2.647 -16.002 11.864 1.00 55.25 B H +ATOM 1544 HE2 TYR B 98 6.040 -17.263 10.154 1.00 54.80 B H +ATOM 1545 HH TYR B 98 4.579 -14.933 12.106 1.00 61.54 B H +ATOM 1546 N GLU B 99 0.528 -22.717 10.475 1.00 39.59 B N +ANISOU 1546 N GLU B 99 5071 4790 5180 33 -123 203 B N +ATOM 1547 CA GLU B 99 -0.133 -23.935 10.040 1.00 41.04 B C +ANISOU 1547 CA GLU B 99 5337 4942 5313 -18 -131 178 B C +ATOM 1548 C GLU B 99 -1.642 -23.791 10.142 1.00 39.16 B C +ANISOU 1548 C GLU B 99 5053 4783 5043 -93 -180 99 B C +ATOM 1549 O GLU B 99 -2.170 -23.109 11.029 1.00 38.61 B O +ANISOU 1549 O GLU B 99 4887 4792 4990 -134 -194 70 B O +ATOM 1550 CB GLU B 99 0.330 -25.151 10.878 1.00 44.44 B C +ANISOU 1550 CB GLU B 99 5812 5331 5742 -69 -116 224 B C +ATOM 1551 CG GLU B 99 1.824 -25.412 10.789 1.00 39.41 B C +ANISOU 1551 CG GLU B 99 5209 4607 5158 7 -73 305 B C +ATOM 1552 CD GLU B 99 2.224 -26.062 9.474 1.00 54.71 B C +ANISOU 1552 CD GLU B 99 7255 6448 7083 71 -27 318 B C +ATOM 1553 OE1 GLU B 99 1.334 -26.636 8.796 1.00 54.06 B O +ANISOU 1553 OE1 GLU B 99 7247 6358 6936 34 -41 271 B O +ATOM 1554 OE2 GLU B 99 3.420 -25.988 9.122 1.00 56.53 B O +ANISOU 1554 OE2 GLU B 99 7498 6608 7373 154 26 374 B O +ATOM 1555 H GLU B 99 0.173 -22.347 11.165 1.00 47.52 B H +ATOM 1556 HA GLU B 99 0.080 -24.090 9.107 1.00 49.26 B H +ATOM 1557 HB2 GLU B 99 0.111 -24.991 11.809 1.00 53.34 B H +ATOM 1558 HB3 GLU B 99 -0.131 -25.943 10.560 1.00 53.34 B H +ATOM 1559 HG2 GLU B 99 2.298 -24.569 10.865 1.00 47.30 B H +ATOM 1560 HG3 GLU B 99 2.085 -26.006 11.510 1.00 47.30 B H +ATOM 1561 N ASN B 100 -2.334 -24.465 9.234 1.00 41.12 B N +ANISOU 1561 N ASN B 100 5371 5002 5250 -112 -203 64 B N +ATOM 1562 CA ASN B 100 -3.789 -24.461 9.242 1.00 40.69 B C +ANISOU 1562 CA ASN B 100 5266 5012 5181 -187 -257 -11 B C +ATOM 1563 C ASN B 100 -4.346 -25.220 10.442 1.00 39.72 B C +ANISOU 1563 C ASN B 100 5109 4927 5054 -301 -247 -24 B C +ATOM 1564 O ASN B 100 -3.907 -26.342 10.745 1.00 43.08 B O +ANISOU 1564 O ASN B 100 5616 5298 5453 -338 -221 13 B O +ATOM 1565 CB ASN B 100 -4.305 -25.076 7.946 1.00 45.79 B C +ANISOU 1565 CB ASN B 100 6013 5603 5783 -185 -297 -39 B C +ATOM 1566 CG ASN B 100 -4.224 -24.108 6.783 1.00 47.53 B C +ANISOU 1566 CG ASN B 100 6257 5803 5998 -93 -325 -52 B C +ATOM 1567 ND2 ASN B 100 -3.568 -24.519 5.713 1.00 52.01 B N +ANISOU 1567 ND2 ASN B 100 6965 6273 6525 -36 -303 -22 B N +ATOM 1568 OD1 ASN B 100 -4.726 -22.986 6.867 1.00 48.90 B O +ANISOU 1568 OD1 ASN B 100 6333 6043 6203 -73 -361 -87 B O +ATOM 1569 H ASN B 100 -1.985 -24.934 8.603 1.00 49.35 B H +ATOM 1570 HA ASN B 100 -4.102 -23.546 9.310 1.00 48.83 B H +ATOM 1571 HB2 ASN B 100 -3.770 -25.856 7.728 1.00 54.96 B H +ATOM 1572 HB3 ASN B 100 -5.233 -25.332 8.062 1.00 54.96 B H +ATOM 1573 HD21 ASN B 100 -3.495 -24.004 5.028 1.00 62.43 B H +ATOM 1574 HD22 ASN B 100 -3.213 -25.303 5.701 1.00 62.43 B H +ATOM 1575 N VAL B 101 -5.321 -24.605 11.099 1.00 36.85 B N +ANISOU 1575 N VAL B 101 4633 4651 4716 -356 -263 -79 B N +ATOM 1576 CA VAL B 101 -6.031 -25.169 12.238 1.00 43.29 B C +ANISOU 1576 CA VAL B 101 5410 5508 5529 -473 -241 -106 B C +ATOM 1577 C VAL B 101 -7.520 -25.025 11.949 1.00 47.23 B C +ANISOU 1577 C VAL B 101 5825 6065 6055 -532 -280 -189 B C +ATOM 1578 O VAL B 101 -7.961 -23.962 11.504 1.00 41.62 B O +ANISOU 1578 O VAL B 101 5032 5397 5383 -479 -315 -227 B O +ATOM 1579 CB VAL B 101 -5.679 -24.452 13.562 1.00 43.97 B C +ANISOU 1579 CB VAL B 101 5433 5640 5634 -487 -201 -88 B C +ATOM 1580 CG1 VAL B 101 -6.361 -25.148 14.753 1.00 44.17 B C +ANISOU 1580 CG1 VAL B 101 5452 5691 5641 -617 -164 -113 B C +ATOM 1581 CG2 VAL B 101 -4.156 -24.377 13.762 1.00 43.06 B C +ANISOU 1581 CG2 VAL B 101 5377 5468 5515 -416 -184 -4 B C +ATOM 1582 H VAL B 101 -5.604 -23.819 10.893 1.00 44.23 B H +ATOM 1583 HA VAL B 101 -5.799 -26.106 12.337 1.00 51.96 B H +ATOM 1584 HB VAL B 101 -6.010 -23.542 13.518 1.00 52.78 B H +ATOM 1585 HG11 VAL B 101 -6.018 -24.771 15.578 1.00 53.02 B H +ATOM 1586 HG12 VAL B 101 -7.319 -25.004 14.696 1.00 53.02 B H +ATOM 1587 HG13 VAL B 101 -6.167 -26.098 14.717 1.00 53.02 B H +ATOM 1588 HG21 VAL B 101 -3.971 -23.994 14.634 1.00 51.68 B H +ATOM 1589 HG22 VAL B 101 -3.786 -25.272 13.709 1.00 51.68 B H +ATOM 1590 HG23 VAL B 101 -3.773 -23.818 13.068 1.00 51.68 B H +ATOM 1591 N ASP B 102 -8.294 -26.077 12.230 1.00 44.86 B N +ANISOU 1591 N ASP B 102 5542 5763 5741 -641 -276 -219 B N +ATOM 1592 CA ASP B 102 -9.731 -26.063 11.993 1.00 46.38 B C +ANISOU 1592 CA ASP B 102 5642 6005 5975 -709 -314 -298 B C +ATOM 1593 C ASP B 102 -10.448 -25.646 13.265 1.00 44.07 B C +ANISOU 1593 C ASP B 102 5229 5787 5727 -787 -255 -340 B C +ATOM 1594 O ASP B 102 -10.221 -26.228 14.328 1.00 45.48 B O +ANISOU 1594 O ASP B 102 5449 5957 5873 -862 -188 -319 B O +ATOM 1595 CB ASP B 102 -10.221 -27.449 11.543 1.00 48.03 B C +ANISOU 1595 CB ASP B 102 5934 6165 6150 -794 -339 -310 B C +ATOM 1596 CG ASP B 102 -9.909 -27.741 10.075 1.00 56.99 B C +ANISOU 1596 CG ASP B 102 7177 7229 7247 -724 -409 -294 B C +ATOM 1597 OD1 ASP B 102 -9.634 -26.797 9.301 1.00 59.20 B O +ANISOU 1597 OD1 ASP B 102 7445 7508 7539 -621 -450 -291 B O +ATOM 1598 OD2 ASP B 102 -9.955 -28.922 9.693 1.00 69.78 B O +ANISOU 1598 OD2 ASP B 102 8907 8786 8819 -777 -421 -285 B O +ATOM 1599 H ASP B 102 -8.002 -26.816 12.562 1.00 53.85 B H +ATOM 1600 HA ASP B 102 -9.938 -25.425 11.292 1.00 55.67 B H +ATOM 1601 HB2 ASP B 102 -9.786 -28.128 12.083 1.00 57.65 B H +ATOM 1602 HB3 ASP B 102 -11.182 -27.498 11.661 1.00 57.65 B H +ATOM 1603 N ARG B 103 -11.282 -24.614 13.166 1.00 44.67 B N +ANISOU 1603 N ARG B 103 5168 5929 5876 -766 -276 -399 B N +ATOM 1604 CA ARG B 103 -11.998 -24.095 14.321 1.00 41.84 B C +ANISOU 1604 CA ARG B 103 4691 5637 5568 -831 -205 -445 B C +ATOM 1605 C ARG B 103 -13.363 -23.591 13.878 1.00 50.96 B C +ANISOU 1605 C ARG B 103 5693 6846 6823 -845 -249 -528 B C +ATOM 1606 O ARG B 103 -13.510 -23.134 12.737 1.00 47.94 B O +ANISOU 1606 O ARG B 103 5291 6457 6467 -764 -345 -539 B O +ATOM 1607 CB ARG B 103 -11.255 -22.937 15.003 1.00 43.63 B C +ANISOU 1607 CB ARG B 103 4899 5888 5792 -761 -162 -417 B C +ATOM 1608 CG ARG B 103 -9.884 -23.249 15.548 1.00 43.83 B C +ANISOU 1608 CG ARG B 103 5050 5863 5741 -742 -130 -335 B C +ATOM 1609 CD ARG B 103 -9.363 -22.031 16.329 1.00 41.35 B C +ANISOU 1609 CD ARG B 103 4699 5579 5434 -693 -92 -320 B C +ATOM 1610 NE ARG B 103 -7.930 -22.091 16.582 1.00 40.34 B N +ANISOU 1610 NE ARG B 103 4674 5399 5253 -644 -94 -235 B N +ATOM 1611 CZ ARG B 103 -7.382 -22.530 17.709 1.00 42.55 B C +ANISOU 1611 CZ ARG B 103 5027 5654 5487 -705 -51 -195 B C +ATOM 1612 NH1 ARG B 103 -8.117 -23.030 18.694 1.00 38.30 B N +ANISOU 1612 NH1 ARG B 103 4491 5130 4930 -823 8 -229 B N +ATOM 1613 NH2 ARG B 103 -6.064 -22.457 17.859 1.00 43.59 B N +ANISOU 1613 NH2 ARG B 103 5231 5738 5594 -648 -70 -118 B N +ATOM 1614 H ARG B 103 -11.449 -24.196 12.433 1.00 53.62 B H +ATOM 1615 HA ARG B 103 -12.109 -24.820 14.956 1.00 50.21 B H +ATOM 1616 HB2 ARG B 103 -11.148 -22.224 14.354 1.00 52.38 B H +ATOM 1617 HB3 ARG B 103 -11.794 -22.630 15.748 1.00 52.38 B H +ATOM 1618 HG2 ARG B 103 -9.932 -24.010 16.148 1.00 52.61 B H +ATOM 1619 HG3 ARG B 103 -9.273 -23.440 14.819 1.00 52.61 B H +ATOM 1620 HD2 ARG B 103 -9.543 -21.227 15.817 1.00 49.63 B H +ATOM 1621 HD3 ARG B 103 -9.816 -21.988 17.186 1.00 49.63 B H +ATOM 1622 HE ARG B 103 -7.401 -21.824 15.959 1.00 48.42 B H +ATOM 1623 HH11 ARG B 103 -8.972 -23.075 18.611 1.00 45.97 B H +ATOM 1624 HH12 ARG B 103 -7.739 -23.308 19.414 1.00 45.97 B H +ATOM 1625 HH21 ARG B 103 -5.577 -22.128 17.231 1.00 52.32 B H +ATOM 1626 HH22 ARG B 103 -5.697 -22.738 18.584 1.00 52.32 B H +ATOM 1627 N PRO B 104 -14.362 -23.619 14.760 1.00 47.84 B N +ANISOU 1627 N PRO B 104 5189 6499 6490 -942 -179 -586 B N +ATOM 1628 CA PRO B 104 -15.601 -22.872 14.492 1.00 58.25 B C +ANISOU 1628 CA PRO B 104 6328 7874 7930 -937 -209 -665 B C +ATOM 1629 C PRO B 104 -15.278 -21.399 14.337 1.00 55.81 B C +ANISOU 1629 C PRO B 104 5963 7594 7650 -811 -229 -663 B C +ATOM 1630 O PRO B 104 -14.502 -20.846 15.109 1.00 50.23 B O +ANISOU 1630 O PRO B 104 5297 6890 6897 -781 -159 -628 B O +ATOM 1631 CB PRO B 104 -16.461 -23.113 15.740 1.00 53.21 B C +ANISOU 1631 CB PRO B 104 5601 7273 7343 -1063 -85 -717 B C +ATOM 1632 CG PRO B 104 -15.800 -24.209 16.498 1.00 57.67 B C +ANISOU 1632 CG PRO B 104 6319 7793 7801 -1151 -13 -669 B C +ATOM 1633 CD PRO B 104 -14.340 -24.190 16.120 1.00 50.14 B C +ANISOU 1633 CD PRO B 104 5516 6790 6744 -1053 -60 -582 B C +ATOM 1634 HA PRO B 104 -16.062 -23.220 13.712 1.00 69.91 B H +ATOM 1635 HB2 PRO B 104 -16.496 -22.302 16.271 1.00 63.86 B H +ATOM 1636 HB3 PRO B 104 -17.356 -23.373 15.472 1.00 63.86 B H +ATOM 1637 HG2 PRO B 104 -15.907 -24.053 17.449 1.00 69.22 B H +ATOM 1638 HG3 PRO B 104 -16.202 -25.058 16.254 1.00 69.22 B H +ATOM 1639 HD2 PRO B 104 -13.832 -23.626 16.725 1.00 60.18 B H +ATOM 1640 HD3 PRO B 104 -13.971 -25.087 16.114 1.00 60.18 B H +ATOM 1641 N GLN B 105 -15.884 -20.753 13.347 1.00 53.31 B N +ANISOU 1641 N GLN B 105 5557 7292 7408 -741 -332 -700 B N +ATOM 1642 CA GLN B 105 -15.675 -19.319 13.177 1.00 56.06 B C +ANISOU 1642 CA GLN B 105 5850 7664 7787 -622 -353 -703 B C +ATOM 1643 C GLN B 105 -16.912 -18.510 13.540 1.00 48.88 B C +ANISOU 1643 C GLN B 105 4744 6813 7014 -629 -332 -784 B C +ATOM 1644 O GLN B 105 -17.060 -17.376 13.088 1.00 50.56 B O +ANISOU 1644 O GLN B 105 4890 7041 7278 -527 -388 -801 B O +ATOM 1645 CB GLN B 105 -15.199 -19.005 11.760 1.00 59.03 B C +ANISOU 1645 CB GLN B 105 6303 7997 8129 -511 -485 -673 B C +ATOM 1646 CG GLN B 105 -13.698 -19.241 11.620 1.00 55.40 B C +ANISOU 1646 CG GLN B 105 6019 7484 7547 -463 -464 -588 B C +ATOM 1647 CD GLN B 105 -13.099 -18.668 10.352 1.00 63.92 B C +ANISOU 1647 CD GLN B 105 7180 8517 8589 -343 -558 -558 B C +ATOM 1648 NE2 GLN B 105 -11.916 -19.167 9.983 1.00 49.97 B N +ANISOU 1648 NE2 GLN B 105 5569 6689 6729 -313 -546 -489 B N +ATOM 1649 OE1 GLN B 105 -13.688 -17.793 9.705 1.00 56.57 B O +ANISOU 1649 OE1 GLN B 105 6179 7600 7715 -277 -638 -595 B O +ATOM 1650 H GLN B 105 -16.411 -21.115 12.773 1.00 63.99 B H +ATOM 1651 HA GLN B 105 -14.967 -19.039 13.778 1.00 67.28 B H +ATOM 1652 HB2 GLN B 105 -15.661 -19.580 11.130 1.00 70.85 B H +ATOM 1653 HB3 GLN B 105 -15.384 -18.074 11.557 1.00 70.85 B H +ATOM 1654 HG2 GLN B 105 -13.246 -18.827 12.372 1.00 66.49 B H +ATOM 1655 HG3 GLN B 105 -13.532 -20.196 11.618 1.00 66.49 B H +ATOM 1656 HE21 GLN B 105 -11.539 -19.778 10.458 1.00 59.98 B H +ATOM 1657 HE22 GLN B 105 -11.530 -18.878 9.270 1.00 59.98 B H +ATOM 1658 N LYS B 106 -17.781 -19.061 14.384 1.00 50.86 B N +ANISOU 1658 N LYS B 106 4905 7093 7328 -747 -243 -832 B N +ATOM 1659 CA LYS B 106 -18.815 -18.285 15.058 1.00 52.37 B C +ANISOU 1659 CA LYS B 106 4913 7336 7648 -762 -170 -906 B C +ATOM 1660 C LYS B 106 -18.933 -18.796 16.485 1.00 51.26 B C +ANISOU 1660 C LYS B 106 4784 7207 7487 -885 3 -918 B C +ATOM 1661 O LYS B 106 -19.250 -19.971 16.701 1.00 56.86 B O +ANISOU 1661 O LYS B 106 5520 7902 8184 -1003 35 -925 B O +ATOM 1662 CB LYS B 106 -20.155 -18.391 14.327 1.00 62.19 B C +ANISOU 1662 CB LYS B 106 5988 8599 9044 -779 -263 -975 B C +ATOM 1663 CG LYS B 106 -21.217 -17.434 14.840 1.00 68.67 B C +ANISOU 1663 CG LYS B 106 6599 9468 10025 -765 -201 -1052 B C +ATOM 1664 CD LYS B 106 -22.368 -17.331 13.849 1.00 85.34 B C +ANISOU 1664 CD LYS B 106 8545 11588 12294 -742 -345 -1108 B C +ATOM 1665 CE LYS B 106 -23.413 -16.336 14.316 1.00 84.97 B C +ANISOU 1665 CE LYS B 106 8274 11583 12426 -713 -286 -1184 B C +ATOM 1666 NZ LYS B 106 -24.065 -15.651 13.161 1.00 99.99 B N +ANISOU 1666 NZ LYS B 106 10058 13484 14451 -609 -472 -1213 B N +ATOM 1667 H LYS B 106 -17.792 -19.898 14.584 1.00 61.05 B H +ATOM 1668 HA LYS B 106 -18.562 -17.349 15.084 1.00 62.85 B H +ATOM 1669 HB2 LYS B 106 -20.012 -18.197 13.387 1.00 74.64 B H +ATOM 1670 HB3 LYS B 106 -20.495 -19.293 14.431 1.00 74.64 B H +ATOM 1671 HG2 LYS B 106 -21.565 -17.758 15.685 1.00 82.42 B H +ATOM 1672 HG3 LYS B 106 -20.831 -16.552 14.957 1.00 82.42 B H +ATOM 1673 HD2 LYS B 106 -22.028 -17.036 12.990 1.00102.42 B H +ATOM 1674 HD3 LYS B 106 -22.792 -18.199 13.757 1.00102.42 B H +ATOM 1675 HE2 LYS B 106 -24.097 -16.802 14.822 1.00101.97 B H +ATOM 1676 HE3 LYS B 106 -22.990 -15.663 14.871 1.00101.97 B H +ATOM 1677 HZ1 LYS B 106 -24.669 -15.067 13.455 1.00120.00 B H +ATOM 1678 HZ2 LYS B 106 -23.455 -15.218 12.680 1.00120.00 B H +ATOM 1679 HZ3 LYS B 106 -24.471 -16.250 12.642 1.00120.00 B H +ATOM 1680 N VAL B 107 -18.673 -17.919 17.464 1.00 51.70 B N +ANISOU 1680 N VAL B 107 4835 7280 7529 -864 116 -922 B N +ATOM 1681 CA VAL B 107 -18.701 -18.296 18.869 1.00 50.97 B C +ANISOU 1681 CA VAL B 107 4786 7185 7395 -978 284 -930 B C +ATOM 1682 C VAL B 107 -19.292 -17.164 19.700 1.00 53.85 B C +ANISOU 1682 C VAL B 107 5036 7582 7841 -961 402 -988 B C +ATOM 1683 O VAL B 107 -19.307 -16.001 19.290 1.00 55.05 B O +ANISOU 1683 O VAL B 107 5116 7753 8046 -843 352 -1001 B O +ATOM 1684 CB VAL B 107 -17.300 -18.645 19.420 1.00 52.21 B C +ANISOU 1684 CB VAL B 107 5155 7300 7383 -986 309 -845 B C +ATOM 1685 CG1 VAL B 107 -16.659 -19.755 18.604 1.00 51.76 B C +ANISOU 1685 CG1 VAL B 107 5215 7202 7249 -993 205 -786 B C +ATOM 1686 CG2 VAL B 107 -16.409 -17.394 19.445 1.00 48.92 B C +ANISOU 1686 CG2 VAL B 107 4780 6884 6923 -864 287 -807 B C +ATOM 1687 H VAL B 107 -18.476 -17.093 17.330 1.00 62.05 B H +ATOM 1688 HA VAL B 107 -19.278 -19.071 18.955 1.00 61.17 B H +ATOM 1689 HB VAL B 107 -17.392 -18.967 20.330 1.00 62.66 B H +ATOM 1690 HG11 VAL B 107 -15.774 -19.935 18.957 1.00 62.12 B H +ATOM 1691 HG12 VAL B 107 -17.209 -20.551 18.668 1.00 62.12 B H +ATOM 1692 HG13 VAL B 107 -16.595 -19.470 17.679 1.00 62.12 B H +ATOM 1693 HG21 VAL B 107 -15.488 -17.665 19.584 1.00 58.71 B H +ATOM 1694 HG22 VAL B 107 -16.492 -16.930 18.597 1.00 58.71 B H +ATOM 1695 HG23 VAL B 107 -16.697 -16.816 20.168 1.00 58.71 B H +ATOM 1696 N ARG B 108 -19.781 -17.527 20.886 1.00 49.80 B N +ANISOU 1696 N ARG B 108 4519 7069 7334 -1081 567 -1025 B N +ATOM 1697 CA ARG B 108 -20.167 -16.559 21.904 1.00 54.54 B C +ANISOU 1697 CA ARG B 108 5063 7683 7976 -1082 715 -1072 B C +ATOM 1698 C ARG B 108 -19.047 -16.451 22.931 1.00 52.31 B C +ANISOU 1698 C ARG B 108 4985 7364 7526 -1106 792 -1013 B C +ATOM 1699 O ARG B 108 -18.595 -17.469 23.465 1.00 51.52 B O +ANISOU 1699 O ARG B 108 5030 7229 7318 -1206 828 -974 B O +ATOM 1700 CB ARG B 108 -21.468 -16.954 22.614 1.00 59.87 B C +ANISOU 1700 CB ARG B 108 5609 8371 8769 -1205 871 -1157 B C +ATOM 1701 CG ARG B 108 -21.788 -16.043 23.804 1.00 63.08 B C +ANISOU 1701 CG ARG B 108 5995 8777 9197 -1219 1057 -1204 B C +ATOM 1702 CD ARG B 108 -23.114 -16.373 24.490 1.00 72.30 B C +ANISOU 1702 CD ARG B 108 7022 9951 10499 -1337 1234 -1294 B C +ATOM 1703 NE ARG B 108 -24.242 -16.239 23.578 1.00 70.41 B N +ANISOU 1703 NE ARG B 108 6530 9751 10471 -1297 1161 -1358 B N +ATOM 1704 CZ ARG B 108 -24.938 -17.258 23.094 1.00 74.16 B C +ANISOU 1704 CZ ARG B 108 6912 10234 11032 -1381 1119 -1382 B C +ATOM 1705 NH1 ARG B 108 -24.695 -18.502 23.473 1.00 79.04 B N +ANISOU 1705 NH1 ARG B 108 7665 10822 11544 -1514 1162 -1354 B N +ATOM 1706 NH2 ARG B 108 -25.902 -17.020 22.211 1.00 79.74 B N +ANISOU 1706 NH2 ARG B 108 7389 10973 11936 -1332 1023 -1435 B N +ATOM 1707 H ARG B 108 -19.900 -18.344 21.126 1.00 59.77 B H +ATOM 1708 HA ARG B 108 -20.310 -15.699 21.479 1.00 65.46 B H +ATOM 1709 HB2 ARG B 108 -22.202 -16.896 21.983 1.00 71.86 B H +ATOM 1710 HB3 ARG B 108 -21.385 -17.863 22.943 1.00 71.86 B H +ATOM 1711 HG2 ARG B 108 -21.083 -16.132 24.465 1.00 75.71 B H +ATOM 1712 HG3 ARG B 108 -21.837 -15.126 23.492 1.00 75.71 B H +ATOM 1713 HD2 ARG B 108 -23.090 -17.289 24.811 1.00 86.77 B H +ATOM 1714 HD3 ARG B 108 -23.250 -15.765 25.233 1.00 86.77 B H +ATOM 1715 HE ARG B 108 -24.471 -15.446 23.338 1.00 84.50 B H +ATOM 1716 HH11 ARG B 108 -24.074 -18.664 24.046 1.00 94.86 B H +ATOM 1717 HH12 ARG B 108 -25.158 -19.149 23.147 1.00 94.86 B H +ATOM 1718 HH21 ARG B 108 -26.068 -16.213 21.962 1.00 95.70 B H +ATOM 1719 HH22 ARG B 108 -26.361 -17.672 21.889 1.00 95.70 B H +ATOM 1720 N ILE B 109 -18.622 -15.221 23.213 1.00 51.82 B N +ANISOU 1720 N ILE B 109 4939 7305 7444 -1017 808 -1006 B N +ATOM 1721 CA ILE B 109 -17.614 -14.931 24.224 1.00 51.07 B C +ANISOU 1721 CA ILE B 109 5028 7173 7203 -1035 872 -954 B C +ATOM 1722 C ILE B 109 -18.324 -14.422 25.473 1.00 51.02 B C +ANISOU 1722 C ILE B 109 5002 7161 7221 -1105 1067 -1019 B C +ATOM 1723 O ILE B 109 -19.201 -13.557 25.379 1.00 51.94 B O +ANISOU 1723 O ILE B 109 4959 7308 7468 -1054 1120 -1089 B O +ATOM 1724 CB ILE B 109 -16.614 -13.875 23.719 1.00 47.26 B C +ANISOU 1724 CB ILE B 109 4591 6691 6676 -896 762 -901 B C +ATOM 1725 CG1 ILE B 109 -16.004 -14.283 22.383 1.00 50.85 B C +ANISOU 1725 CG1 ILE B 109 5055 7146 7120 -819 586 -846 B C +ATOM 1726 CG2 ILE B 109 -15.508 -13.639 24.754 1.00 55.99 B C +ANISOU 1726 CG2 ILE B 109 5889 7752 7631 -924 807 -842 B C +ATOM 1727 CD1 ILE B 109 -15.083 -13.219 21.782 1.00 50.00 B C +ANISOU 1727 CD1 ILE B 109 4980 7035 6982 -682 486 -800 B C +ATOM 1728 H ILE B 109 -18.914 -14.516 22.816 1.00 62.19 B H +ATOM 1729 HA ILE B 109 -17.133 -15.744 24.441 1.00 61.30 B H +ATOM 1730 HB ILE B 109 -17.106 -13.049 23.587 1.00 56.73 B H +ATOM 1731 HG12 ILE B 109 -15.481 -15.090 22.512 1.00 61.03 B H +ATOM 1732 HG13 ILE B 109 -16.720 -14.449 21.750 1.00 61.03 B H +ATOM 1733 HG21 ILE B 109 -14.902 -12.959 24.419 1.00 67.19 B H +ATOM 1734 HG22 ILE B 109 -15.911 -13.342 25.585 1.00 67.19 B H +ATOM 1735 HG23 ILE B 109 -15.027 -14.469 24.897 1.00 67.19 B H +ATOM 1736 HD11 ILE B 109 -14.868 -13.467 20.869 1.00 60.01 B H +ATOM 1737 HD12 ILE B 109 -15.539 -12.363 21.793 1.00 60.01 B H +ATOM 1738 HD13 ILE B 109 -14.271 -13.169 22.310 1.00 60.01 B H +ATOM 1739 N LYS B 110 -17.939 -14.947 26.636 1.00 52.15 B N +ANISOU 1739 N LYS B 110 5317 7258 7239 -1219 1173 -996 B N +ATOM 1740 CA LYS B 110 -18.293 -14.373 27.929 1.00 56.58 B C +ANISOU 1740 CA LYS B 110 5932 7793 7774 -1282 1358 -1041 B C +ATOM 1741 C LYS B 110 -17.003 -14.089 28.691 1.00 53.56 B C +ANISOU 1741 C LYS B 110 5780 7358 7212 -1285 1337 -965 B C +ATOM 1742 O LYS B 110 -16.113 -14.943 28.746 1.00 54.14 B O +ANISOU 1742 O LYS B 110 6001 7398 7171 -1326 1257 -890 B O +ATOM 1743 CB LYS B 110 -19.189 -15.304 28.744 1.00 60.45 B C +ANISOU 1743 CB LYS B 110 6429 8261 8278 -1442 1528 -1095 B C +ATOM 1744 CG LYS B 110 -20.509 -15.654 28.064 1.00 73.79 B C +ANISOU 1744 CG LYS B 110 7880 9998 10160 -1457 1552 -1172 B C +ATOM 1745 CD LYS B 110 -21.422 -16.444 28.998 1.00 90.86 B C +ANISOU 1745 CD LYS B 110 10047 12132 12343 -1622 1753 -1233 B C +ATOM 1746 CE LYS B 110 -22.368 -17.356 28.225 1.00115.65 B C +ANISOU 1746 CE LYS B 110 13009 15305 15626 -1672 1720 -1274 B C +ATOM 1747 NZ LYS B 110 -22.371 -18.741 28.787 1.00129.40 B N +ANISOU 1747 NZ LYS B 110 14888 17003 17275 -1834 1790 -1258 B N +ATOM 1748 H LYS B 110 -17.458 -15.656 26.701 1.00 62.59 B H +ATOM 1749 HA LYS B 110 -18.780 -13.546 27.795 1.00 67.91 B H +ATOM 1750 HB2 LYS B 110 -18.712 -16.133 28.904 1.00 72.55 B H +ATOM 1751 HB3 LYS B 110 -19.398 -14.874 29.588 1.00 72.55 B H +ATOM 1752 HG2 LYS B 110 -20.966 -14.837 27.809 1.00 88.56 B H +ATOM 1753 HG3 LYS B 110 -20.333 -16.195 27.279 1.00 88.56 B H +ATOM 1754 HD2 LYS B 110 -20.881 -16.995 29.585 1.00109.04 B H +ATOM 1755 HD3 LYS B 110 -21.956 -15.827 29.522 1.00109.04 B H +ATOM 1756 HE2 LYS B 110 -23.270 -17.004 28.278 1.00138.78 B H +ATOM 1757 HE3 LYS B 110 -22.083 -17.403 27.299 1.00138.78 B H +ATOM 1758 HZ1 LYS B 110 -22.925 -19.258 28.320 1.00155.29 B H +ATOM 1759 HZ2 LYS B 110 -21.552 -19.087 28.748 1.00155.29 B H +ATOM 1760 HZ3 LYS B 110 -22.637 -18.725 29.636 1.00155.29 B H +ATOM 1761 N ALA B 111 -16.894 -12.899 29.270 1.00 51.07 B N +ANISOU 1761 N ALA B 111 5495 7031 6878 -1241 1403 -982 B N +ATOM 1762 CA ALA B 111 -15.709 -12.549 30.040 1.00 51.62 B C +ANISOU 1762 CA ALA B 111 5782 7047 6785 -1250 1377 -913 B C +ATOM 1763 C ALA B 111 -16.019 -11.341 30.909 1.00 53.94 B C +ANISOU 1763 C ALA B 111 6105 7320 7070 -1242 1513 -963 B C +ATOM 1764 O ALA B 111 -17.136 -10.812 30.901 1.00 52.72 B O +ANISOU 1764 O ALA B 111 5797 7193 7042 -1225 1634 -1050 B O +ATOM 1765 CB ALA B 111 -14.508 -12.259 29.119 1.00 44.07 B C +ANISOU 1765 CB ALA B 111 4844 6102 5797 -1131 1174 -829 B C +ATOM 1766 H ALA B 111 -17.490 -12.280 29.230 1.00 61.29 B H +ATOM 1767 HA ALA B 111 -15.494 -13.298 30.618 1.00 61.96 B H +ATOM 1768 HB1 ALA B 111 -13.719 -12.116 29.664 1.00 52.89 B H +ATOM 1769 HB2 ALA B 111 -14.371 -13.019 28.531 1.00 52.89 B H +ATOM 1770 HB3 ALA B 111 -14.697 -11.465 28.595 1.00 52.89 B H +ATOM 1771 N LEU B 112 -15.010 -10.917 31.666 1.00 51.32 B N +ANISOU 1771 N LEU B 112 5974 6934 6592 -1255 1491 -906 B N +ATOM 1772 CA LEU B 112 -15.025 -9.656 32.389 1.00 56.25 B C +ANISOU 1772 CA LEU B 112 6658 7530 7184 -1231 1582 -936 B C +ATOM 1773 C LEU B 112 -14.186 -8.642 31.622 1.00 53.64 B C +ANISOU 1773 C LEU B 112 6292 7223 6864 -1088 1426 -889 B C +ATOM 1774 O LEU B 112 -13.192 -9.001 30.994 1.00 46.57 B O +ANISOU 1774 O LEU B 112 5430 6334 5932 -1047 1257 -809 B O +ATOM 1775 CB LEU B 112 -14.457 -9.821 33.791 1.00 52.00 B C +ANISOU 1775 CB LEU B 112 6390 6904 6465 -1351 1654 -904 B C +ATOM 1776 CG LEU B 112 -15.091 -10.923 34.648 1.00 56.46 B C +ANISOU 1776 CG LEU B 112 7047 7426 6979 -1510 1802 -936 B C +ATOM 1777 CD1 LEU B 112 -14.465 -10.904 36.028 1.00 57.86 B C +ANISOU 1777 CD1 LEU B 112 7518 7504 6963 -1618 1857 -901 B C +ATOM 1778 CD2 LEU B 112 -16.590 -10.747 34.716 1.00 58.97 B C +ANISOU 1778 CD2 LEU B 112 7195 7772 7439 -1531 2003 -1048 B C +ATOM 1779 H LEU B 112 -14.281 -11.360 31.778 1.00 61.60 B H +ATOM 1780 HA LEU B 112 -15.935 -9.332 32.473 1.00 67.51 B H +ATOM 1781 HB2 LEU B 112 -13.513 -10.026 33.713 1.00 62.42 B H +ATOM 1782 HB3 LEU B 112 -14.577 -8.984 34.266 1.00 62.42 B H +ATOM 1783 HG LEU B 112 -14.927 -11.792 34.250 1.00 67.76 B H +ATOM 1784 HD11 LEU B 112 -14.880 -11.592 36.572 1.00 69.44 B H +ATOM 1785 HD12 LEU B 112 -13.514 -11.076 35.945 1.00 69.44 B H +ATOM 1786 HD13 LEU B 112 -14.610 -10.033 36.429 1.00 69.44 B H +ATOM 1787 HD21 LEU B 112 -16.945 -11.329 35.406 1.00 70.78 B H +ATOM 1788 HD22 LEU B 112 -16.790 -9.822 34.928 1.00 70.78 B H +ATOM 1789 HD23 LEU B 112 -16.974 -10.980 33.857 1.00 70.78 B H +ATOM 1790 N ASP B 113 -14.582 -7.376 31.691 1.00 48.86 B N +ANISOU 1790 N ASP B 113 5626 6625 6312 -1015 1491 -940 B N +ATOM 1791 CA ASP B 113 -13.860 -6.336 30.976 1.00 47.80 B C +ANISOU 1791 CA ASP B 113 5461 6509 6191 -883 1357 -902 B C +ATOM 1792 C ASP B 113 -12.778 -5.748 31.885 1.00 50.78 B C +ANISOU 1792 C ASP B 113 6062 6821 6412 -913 1335 -846 B C +ATOM 1793 O ASP B 113 -12.539 -6.221 33.005 1.00 49.23 B O +ANISOU 1793 O ASP B 113 6051 6563 6092 -1035 1402 -829 B O +ATOM 1794 CB ASP B 113 -14.829 -5.289 30.437 1.00 49.06 B C +ANISOU 1794 CB ASP B 113 5433 6710 6498 -776 1414 -982 B C +ATOM 1795 CG ASP B 113 -15.478 -4.444 31.537 1.00 57.37 B C +ANISOU 1795 CG ASP B 113 6539 7721 7539 -811 1609 -1053 B C +ATOM 1796 OD1 ASP B 113 -14.990 -4.435 32.687 1.00 58.20 B O +ANISOU 1796 OD1 ASP B 113 6857 7760 7498 -905 1679 -1032 B O +ATOM 1797 OD2 ASP B 113 -16.493 -3.786 31.236 1.00 59.87 B O +ANISOU 1797 OD2 ASP B 113 6686 8065 7997 -741 1691 -1132 B O +ATOM 1798 H ASP B 113 -15.260 -7.099 32.142 1.00 58.64 B H +ATOM 1799 HA ASP B 113 -13.416 -6.736 30.212 1.00 57.37 B H +ATOM 1800 HB2 ASP B 113 -14.347 -4.690 29.846 1.00 58.88 B H +ATOM 1801 HB3 ASP B 113 -15.537 -5.738 29.949 1.00 58.88 B H +ATOM 1802 N ARG B 114 -12.108 -4.700 31.404 1.00 49.01 B N +ANISOU 1802 N ARG B 114 5831 6602 6190 -807 1234 -814 B N +ATOM 1803 CA ARG B 114 -10.961 -4.160 32.116 1.00 47.69 B C +ANISOU 1803 CA ARG B 114 5861 6373 5885 -832 1177 -750 B C +ATOM 1804 C ARG B 114 -11.337 -3.559 33.463 1.00 55.97 B C +ANISOU 1804 C ARG B 114 7061 7358 6846 -912 1339 -798 B C +ATOM 1805 O ARG B 114 -10.438 -3.309 34.270 1.00 53.82 B O +ANISOU 1805 O ARG B 114 6990 7020 6438 -967 1298 -745 B O +ATOM 1806 CB ARG B 114 -10.266 -3.109 31.251 1.00 50.39 B C +ANISOU 1806 CB ARG B 114 6147 6736 6264 -701 1049 -716 B C +ATOM 1807 CG ARG B 114 -11.117 -1.878 30.955 1.00 48.25 B C +ANISOU 1807 CG ARG B 114 5759 6489 6085 -605 1130 -794 B C +ATOM 1808 CD ARG B 114 -10.555 -1.077 29.791 1.00 47.35 B C +ANISOU 1808 CD ARG B 114 5559 6405 6028 -469 990 -761 B C +ATOM 1809 NE ARG B 114 -10.718 -1.767 28.512 1.00 47.91 B N +ANISOU 1809 NE ARG B 114 5472 6533 6197 -406 893 -750 B N +ATOM 1810 CZ ARG B 114 -10.223 -1.332 27.357 1.00 47.87 B C +ANISOU 1810 CZ ARG B 114 5398 6552 6239 -296 765 -716 B C +ATOM 1811 NH1 ARG B 114 -9.469 -0.249 27.289 1.00 44.40 B N +ANISOU 1811 NH1 ARG B 114 5022 6087 5760 -237 712 -684 B N +ATOM 1812 NH2 ARG B 114 -10.491 -2.004 26.241 1.00 46.48 B N +ANISOU 1812 NH2 ARG B 114 5096 6419 6145 -249 692 -714 B N +ATOM 1813 H ARG B 114 -12.300 -4.289 30.673 1.00 58.83 B H +ATOM 1814 HA ARG B 114 -10.328 -4.876 32.281 1.00 57.23 B H +ATOM 1815 HB2 ARG B 114 -9.466 -2.810 31.711 1.00 60.48 B H +ATOM 1816 HB3 ARG B 114 -10.029 -3.514 30.402 1.00 60.48 B H +ATOM 1817 HG2 ARG B 114 -12.017 -2.158 30.726 1.00 57.91 B H +ATOM 1818 HG3 ARG B 114 -11.136 -1.305 31.737 1.00 57.91 B H +ATOM 1819 HD2 ARG B 114 -11.019 -0.227 29.736 1.00 56.84 B H +ATOM 1820 HD3 ARG B 114 -9.607 -0.930 29.935 1.00 56.84 B H +ATOM 1821 HE ARG B 114 -11.163 -2.502 28.506 1.00 57.50 B H +ATOM 1822 HH11 ARG B 114 -9.286 0.193 28.003 1.00 53.29 B H +ATOM 1823 HH12 ARG B 114 -9.160 0.013 26.530 1.00 53.29 B H +ATOM 1824 HH21 ARG B 114 -10.979 -2.712 26.272 1.00 55.78 B H +ATOM 1825 HH22 ARG B 114 -10.176 -1.732 25.489 1.00 55.78 B H +ATOM 1826 N ASP B 115 -12.629 -3.334 33.716 1.00 54.93 B N +ANISOU 1826 N ASP B 115 6839 7238 6793 -920 1520 -895 B N +ATOM 1827 CA ASP B 115 -13.120 -2.860 35.006 1.00 58.41 B C +ANISOU 1827 CA ASP B 115 7426 7611 7157 -1003 1710 -951 B C +ATOM 1828 C ASP B 115 -13.621 -3.983 35.900 1.00 63.60 B C +ANISOU 1828 C ASP B 115 8182 8229 7753 -1153 1843 -974 B C +ATOM 1829 O ASP B 115 -14.062 -3.711 37.020 1.00 63.27 B O +ANISOU 1829 O ASP B 115 8283 8120 7636 -1237 2021 -1022 B O +ATOM 1830 CB ASP B 115 -14.256 -1.852 34.802 1.00 58.88 B C +ANISOU 1830 CB ASP B 115 7326 7695 7351 -917 1852 -1050 B C +ATOM 1831 CG ASP B 115 -13.849 -0.678 33.927 1.00 67.31 B C +ANISOU 1831 CG ASP B 115 8305 8794 8477 -767 1730 -1034 B C +ATOM 1832 OD1 ASP B 115 -12.718 -0.173 34.080 1.00 62.71 B O +ANISOU 1832 OD1 ASP B 115 7868 8176 7782 -758 1615 -965 B O +ATOM 1833 OD2 ASP B 115 -14.667 -0.261 33.078 1.00 76.50 B O +ANISOU 1833 OD2 ASP B 115 9252 10012 9801 -661 1745 -1090 B O +ATOM 1834 H ASP B 115 -13.255 -3.452 33.138 1.00 65.92 B H +ATOM 1835 HA ASP B 115 -12.389 -2.413 35.459 1.00 70.11 B H +ATOM 1836 HB2 ASP B 115 -15.003 -2.300 34.375 1.00 70.67 B H +ATOM 1837 HB3 ASP B 115 -14.528 -1.503 35.665 1.00 70.67 B H +ATOM 1838 N GLY B 116 -13.594 -5.228 35.426 1.00 58.59 B N +ANISOU 1838 N GLY B 116 7484 7629 7147 -1189 1773 -943 B N +ATOM 1839 CA GLY B 116 -14.142 -6.340 36.168 1.00 56.43 B C +ANISOU 1839 CA GLY B 116 7291 7321 6828 -1330 1901 -968 B C +ATOM 1840 C GLY B 116 -15.620 -6.591 35.970 1.00 57.91 B C +ANISOU 1840 C GLY B 116 7282 7551 7171 -1340 2078 -1069 B C +ATOM 1841 O GLY B 116 -16.188 -7.413 36.696 1.00 68.00 B O +ANISOU 1841 O GLY B 116 8631 8792 8413 -1468 2223 -1103 B O +ATOM 1842 H GLY B 116 -13.257 -5.449 34.666 1.00 70.32 B H +ATOM 1843 HA2 GLY B 116 -13.671 -7.146 35.906 1.00 67.73 B H +ATOM 1844 HA3 GLY B 116 -13.996 -6.180 37.113 1.00 67.73 B H +ATOM 1845 N ASN B 117 -16.265 -5.925 35.013 1.00 58.05 B N +ANISOU 1845 N ASN B 117 7054 7639 7364 -1213 2068 -1119 B N +ATOM 1846 CA ASN B 117 -17.694 -6.113 34.795 1.00 57.08 B C +ANISOU 1846 CA ASN B 117 6719 7555 7415 -1217 2223 -1217 B C +ATOM 1847 C ASN B 117 -17.973 -7.139 33.708 1.00 61.73 B C +ANISOU 1847 C ASN B 117 7123 8215 8118 -1201 2109 -1205 B C +ATOM 1848 O ASN B 117 -17.265 -7.170 32.684 1.00 55.05 B O +ANISOU 1848 O ASN B 117 6220 7411 7284 -1109 1902 -1142 B O +ATOM 1849 CB ASN B 117 -18.345 -4.782 34.403 1.00 59.71 B C +ANISOU 1849 CB ASN B 117 6883 7915 7888 -1087 2277 -1284 B C +ATOM 1850 CG ASN B 117 -18.310 -3.767 35.534 1.00 71.92 B C +ANISOU 1850 CG ASN B 117 8604 9385 9339 -1110 2434 -1316 B C +ATOM 1851 ND2 ASN B 117 -18.142 -2.500 35.182 1.00 73.73 B N +ANISOU 1851 ND2 ASN B 117 8788 9622 9605 -984 2387 -1323 B N +ATOM 1852 OD1 ASN B 117 -18.423 -4.124 36.706 1.00 65.11 B O +ANISOU 1852 OD1 ASN B 117 7927 8449 8361 -1243 2594 -1333 B O +ATOM 1853 H ASN B 117 -15.898 -5.361 34.478 1.00 69.67 B H +ATOM 1854 HA ASN B 117 -18.098 -6.439 35.615 1.00 68.51 B H +ATOM 1855 HB2 ASN B 117 -17.869 -4.406 33.645 1.00 71.66 B H +ATOM 1856 HB3 ASN B 117 -19.273 -4.939 34.167 1.00 71.66 B H +ATOM 1857 HD21 ASN B 117 -18.115 -1.886 35.784 1.00 88.49 B H +ATOM 1858 HD22 ASN B 117 -18.060 -2.292 34.351 1.00 88.49 B H +ATOM 1859 N PRO B 118 -18.991 -7.986 33.885 1.00 64.44 B N +ANISOU 1859 N PRO B 118 7373 8565 8545 -1291 2243 -1265 B N +ATOM 1860 CA PRO B 118 -19.242 -9.048 32.898 1.00 59.50 B C +ANISOU 1860 CA PRO B 118 6595 7999 8015 -1292 2131 -1252 B C +ATOM 1861 C PRO B 118 -19.814 -8.519 31.593 1.00 64.02 B C +ANISOU 1861 C PRO B 118 6894 8647 8784 -1148 2029 -1285 B C +ATOM 1862 O PRO B 118 -20.518 -7.509 31.551 1.00 60.79 B O +ANISOU 1862 O PRO B 118 6354 8249 8494 -1072 2111 -1352 B O +ATOM 1863 CB PRO B 118 -20.252 -9.967 33.607 1.00 64.86 B C +ANISOU 1863 CB PRO B 118 7260 8653 8730 -1440 2332 -1316 B C +ATOM 1864 CG PRO B 118 -20.929 -9.085 34.620 1.00 62.53 B C +ANISOU 1864 CG PRO B 118 6996 8311 8452 -1467 2569 -1395 B C +ATOM 1865 CD PRO B 118 -19.894 -8.080 35.054 1.00 63.98 B C +ANISOU 1865 CD PRO B 118 7373 8452 8484 -1410 2510 -1344 B C +ATOM 1866 HA PRO B 118 -18.420 -9.528 32.714 1.00 71.42 B H +ATOM 1867 HB2 PRO B 118 -20.892 -10.314 32.965 1.00 77.84 B H +ATOM 1868 HB3 PRO B 118 -19.786 -10.700 34.040 1.00 77.84 B H +ATOM 1869 HG2 PRO B 118 -21.688 -8.641 34.211 1.00 75.05 B H +ATOM 1870 HG3 PRO B 118 -21.225 -9.620 35.373 1.00 75.05 B H +ATOM 1871 HD2 PRO B 118 -20.305 -7.222 35.242 1.00 76.79 B H +ATOM 1872 HD3 PRO B 118 -19.413 -8.396 35.835 1.00 76.79 B H +ATOM 1873 N PHE B 119 -19.507 -9.229 30.508 1.00 58.11 B N +ANISOU 1873 N PHE B 119 6070 7943 8066 -1112 1844 -1238 B N +ATOM 1874 CA PHE B 119 -20.116 -8.917 29.227 1.00 59.68 B C +ANISOU 1874 CA PHE B 119 6024 8205 8446 -993 1735 -1269 B C +ATOM 1875 C PHE B 119 -20.157 -10.175 28.369 1.00 58.23 B C +ANISOU 1875 C PHE B 119 5778 8053 8295 -1028 1610 -1241 B C +ATOM 1876 O PHE B 119 -19.499 -11.179 28.660 1.00 55.93 B O +ANISOU 1876 O PHE B 119 5642 7736 7874 -1119 1582 -1183 B O +ATOM 1877 CB PHE B 119 -19.373 -7.768 28.506 1.00 55.89 B C +ANISOU 1877 CB PHE B 119 5544 7740 7953 -837 1583 -1228 B C +ATOM 1878 CG PHE B 119 -18.007 -8.138 27.977 1.00 57.39 B C +ANISOU 1878 CG PHE B 119 5873 7925 8008 -810 1395 -1124 B C +ATOM 1879 CD1 PHE B 119 -16.885 -8.039 28.775 1.00 53.73 B C +ANISOU 1879 CD1 PHE B 119 5635 7412 7368 -851 1394 -1058 B C +ATOM 1880 CD2 PHE B 119 -17.853 -8.546 26.665 1.00 59.10 B C +ANISOU 1880 CD2 PHE B 119 5995 8180 8282 -739 1219 -1092 B C +ATOM 1881 CE1 PHE B 119 -15.633 -8.367 28.279 1.00 52.62 B C +ANISOU 1881 CE1 PHE B 119 5601 7264 7128 -821 1226 -964 B C +ATOM 1882 CE2 PHE B 119 -16.604 -8.873 26.161 1.00 60.90 B C +ANISOU 1882 CE2 PHE B 119 6344 8397 8397 -710 1065 -999 B C +ATOM 1883 CZ PHE B 119 -15.493 -8.778 26.977 1.00 54.57 B C +ANISOU 1883 CZ PHE B 119 5747 7550 7439 -749 1072 -936 B C +ATOM 1884 H PHE B 119 -18.955 -9.889 30.493 1.00 69.74 B H +ATOM 1885 HA PHE B 119 -21.032 -8.631 29.369 1.00 71.63 B H +ATOM 1886 HB2 PHE B 119 -19.910 -7.478 27.753 1.00 67.08 B H +ATOM 1887 HB3 PHE B 119 -19.256 -7.036 29.131 1.00 67.08 B H +ATOM 1888 HD1 PHE B 119 -16.969 -7.749 29.654 1.00 64.48 B H +ATOM 1889 HD2 PHE B 119 -18.599 -8.602 26.112 1.00 70.94 B H +ATOM 1890 HE1 PHE B 119 -14.886 -8.308 28.829 1.00 63.16 B H +ATOM 1891 HE2 PHE B 119 -16.514 -9.155 25.279 1.00 73.09 B H +ATOM 1892 HZ PHE B 119 -14.652 -8.992 26.645 1.00 65.51 B H +ATOM 1893 N GLU B 120 -20.973 -10.115 27.324 1.00 60.41 B N +ANISOU 1893 N GLU B 120 5828 8379 8747 -957 1534 -1283 B N +ATOM 1894 CA GLU B 120 -21.072 -11.170 26.329 1.00 59.43 B C +ANISOU 1894 CA GLU B 120 5632 8283 8666 -972 1394 -1260 B C +ATOM 1895 C GLU B 120 -20.941 -10.539 24.950 1.00 62.56 B C +ANISOU 1895 C GLU B 120 5915 8715 9141 -817 1196 -1244 B C +ATOM 1896 O GLU B 120 -21.289 -9.369 24.743 1.00 61.06 B O +ANISOU 1896 O GLU B 120 5621 8537 9041 -711 1196 -1281 B O +ATOM 1897 CB GLU B 120 -22.391 -11.937 26.424 1.00 72.48 B C +ANISOU 1897 CB GLU B 120 7118 9951 10469 -1070 1499 -1338 B C +ATOM 1898 CG GLU B 120 -22.735 -12.433 27.823 1.00107.61 B C +ANISOU 1898 CG GLU B 120 11664 14359 14862 -1226 1731 -1372 B C +ATOM 1899 CD GLU B 120 -23.919 -13.384 27.828 1.00112.37 B C +ANISOU 1899 CD GLU B 120 12116 14975 15605 -1338 1823 -1438 B C +ATOM 1900 OE1 GLU B 120 -24.545 -13.559 26.760 1.00 90.57 B O +ANISOU 1900 OE1 GLU B 120 9155 12257 13000 -1289 1701 -1462 B O +ATOM 1901 OE2 GLU B 120 -24.217 -13.959 28.897 1.00118.96 B O +ANISOU 1901 OE2 GLU B 120 13038 15771 16391 -1480 2012 -1465 B O +ATOM 1902 H GLU B 120 -21.496 -9.451 27.166 1.00 72.51 B H +ATOM 1903 HA GLU B 120 -20.357 -11.813 26.460 1.00 71.33 B H +ATOM 1904 HB2 GLU B 120 -23.110 -11.352 26.136 1.00 86.98 B H +ATOM 1905 HB3 GLU B 120 -22.341 -12.712 25.843 1.00 86.98 B H +ATOM 1906 HG2 GLU B 120 -21.969 -12.903 28.190 1.00129.14 B H +ATOM 1907 HG3 GLU B 120 -22.956 -11.673 28.383 1.00129.14 B H +ATOM 1908 N GLU B 121 -20.443 -11.328 24.005 1.00 54.97 B N +ANISOU 1908 N GLU B 121 4984 7762 8141 -806 1030 -1188 B N +ATOM 1909 CA GLU B 121 -20.165 -10.855 22.657 1.00 59.76 B C +ANISOU 1909 CA GLU B 121 5532 8388 8787 -670 835 -1160 B C +ATOM 1910 C GLU B 121 -20.282 -12.049 21.723 1.00 59.74 B C +ANISOU 1910 C GLU B 121 5504 8393 8802 -707 710 -1140 B C +ATOM 1911 O GLU B 121 -19.834 -13.145 22.059 1.00 63.50 B O +ANISOU 1911 O GLU B 121 6101 8849 9177 -808 731 -1100 B O +ATOM 1912 CB GLU B 121 -18.766 -10.223 22.597 1.00 60.13 B C +ANISOU 1912 CB GLU B 121 5751 8412 8684 -592 761 -1080 B C +ATOM 1913 CG GLU B 121 -18.411 -9.529 21.306 1.00 75.62 B C +ANISOU 1913 CG GLU B 121 7676 10383 10673 -447 587 -1053 B C +ATOM 1914 CD GLU B 121 -17.105 -8.749 21.417 1.00 76.05 B C +ANISOU 1914 CD GLU B 121 7886 10411 10597 -378 550 -985 B C +ATOM 1915 OE1 GLU B 121 -16.706 -8.415 22.554 1.00 75.74 B O +ANISOU 1915 OE1 GLU B 121 7947 10353 10479 -424 664 -976 B O +ATOM 1916 OE2 GLU B 121 -16.477 -8.474 20.377 1.00 75.51 B O +ANISOU 1916 OE2 GLU B 121 7847 10338 10506 -283 408 -939 B O +ATOM 1917 H GLU B 121 -20.253 -12.158 24.123 1.00 65.98 B H +ATOM 1918 HA GLU B 121 -20.805 -10.185 22.368 1.00 71.73 B H +ATOM 1919 HB2 GLU B 121 -18.701 -9.563 23.305 1.00 72.17 B H +ATOM 1920 HB3 GLU B 121 -18.110 -10.924 22.736 1.00 72.17 B H +ATOM 1921 HG2 GLU B 121 -18.309 -10.192 20.605 1.00 90.76 B H +ATOM 1922 HG3 GLU B 121 -19.117 -8.907 21.073 1.00 90.76 B H +ATOM 1923 N VAL B 122 -20.907 -11.845 20.573 1.00 56.79 B N +ANISOU 1923 N VAL B 122 4981 8041 8554 -628 579 -1168 B N +ATOM 1924 CA VAL B 122 -20.858 -12.817 19.492 1.00 57.42 B C +ANISOU 1924 CA VAL B 122 5067 8120 8631 -639 426 -1139 B C +ATOM 1925 C VAL B 122 -19.697 -12.446 18.586 1.00 57.47 B C +ANISOU 1925 C VAL B 122 5202 8105 8528 -527 275 -1063 B C +ATOM 1926 O VAL B 122 -19.592 -11.298 18.141 1.00 55.02 B O +ANISOU 1926 O VAL B 122 4857 7799 8248 -406 215 -1066 B O +ATOM 1927 CB VAL B 122 -22.177 -12.858 18.705 1.00 64.33 B C +ANISOU 1927 CB VAL B 122 5723 9019 9701 -624 349 -1208 B C +ATOM 1928 CG1 VAL B 122 -22.007 -13.698 17.441 1.00 60.92 B C +ANISOU 1928 CG1 VAL B 122 5328 8574 9245 -617 162 -1171 B C +ATOM 1929 CG2 VAL B 122 -23.286 -13.435 19.562 1.00 64.04 B C +ANISOU 1929 CG2 VAL B 122 5558 8997 9778 -754 506 -1280 B C +ATOM 1930 H VAL B 122 -21.370 -11.143 20.393 1.00 68.16 B H +ATOM 1931 HA VAL B 122 -20.709 -13.702 19.860 1.00 68.92 B H +ATOM 1932 HB VAL B 122 -22.422 -11.955 18.452 1.00 77.21 B H +ATOM 1933 HG11 VAL B 122 -22.883 -13.931 17.096 1.00 73.12 B H +ATOM 1934 HG12 VAL B 122 -21.518 -13.180 16.782 1.00 73.12 B H +ATOM 1935 HG13 VAL B 122 -21.513 -14.503 17.661 1.00 73.12 B H +ATOM 1936 HG21 VAL B 122 -24.115 -13.421 19.058 1.00 76.86 B H +ATOM 1937 HG22 VAL B 122 -23.059 -14.348 19.800 1.00 76.86 B H +ATOM 1938 HG23 VAL B 122 -23.377 -12.897 20.364 1.00 76.86 B H +ATOM 1939 N ALA B 123 -18.827 -13.416 18.311 1.00 52.94 B N +ANISOU 1939 N ALA B 123 4779 7505 7831 -567 220 -995 B N +ATOM 1940 CA ALA B 123 -17.619 -13.192 17.539 1.00 53.38 B C +ANISOU 1940 CA ALA B 123 4971 7533 7777 -476 105 -919 B C +ATOM 1941 C ALA B 123 -17.638 -14.069 16.295 1.00 50.17 B C +ANISOU 1941 C ALA B 123 4587 7108 7368 -470 -39 -898 B C +ATOM 1942 O ALA B 123 -18.042 -15.233 16.354 1.00 47.91 B O +ANISOU 1942 O ALA B 123 4297 6817 7088 -573 -27 -908 B O +ATOM 1943 CB ALA B 123 -16.377 -13.503 18.377 1.00 47.06 B C +ANISOU 1943 CB ALA B 123 4351 6704 6826 -518 175 -849 B C +ATOM 1944 H ALA B 123 -18.922 -14.230 18.570 1.00 63.54 B H +ATOM 1945 HA ALA B 123 -17.576 -12.266 17.254 1.00 64.07 B H +ATOM 1946 HB1 ALA B 123 -15.588 -13.395 17.823 1.00 56.49 B H +ATOM 1947 HB2 ALA B 123 -16.341 -12.889 19.127 1.00 56.49 B H +ATOM 1948 HB3 ALA B 123 -16.434 -14.416 18.699 1.00 56.49 B H +ATOM 1949 N GLU B 124 -17.195 -13.501 15.178 1.00 46.79 B N +ANISOU 1949 N GLU B 124 4194 6662 6923 -354 -169 -869 B N +ATOM 1950 CA GLU B 124 -17.031 -14.235 13.938 1.00 48.55 B C +ANISOU 1950 CA GLU B 124 4481 6851 7116 -338 -306 -841 B C +ATOM 1951 C GLU B 124 -15.694 -13.862 13.313 1.00 48.88 B C +ANISOU 1951 C GLU B 124 4681 6851 7042 -244 -362 -766 B C +ATOM 1952 O GLU B 124 -15.048 -12.897 13.713 1.00 53.49 B O +ANISOU 1952 O GLU B 124 5294 7437 7593 -182 -319 -744 B O +ATOM 1953 CB GLU B 124 -18.161 -13.946 12.949 1.00 57.03 B C +ANISOU 1953 CB GLU B 124 5419 7933 8315 -293 -433 -898 B C +ATOM 1954 CG GLU B 124 -19.488 -14.536 13.350 1.00 73.40 B C +ANISOU 1954 CG GLU B 124 7330 10039 10519 -395 -397 -970 B C +ATOM 1955 CD GLU B 124 -20.547 -14.337 12.287 1.00 85.08 B C +ANISOU 1955 CD GLU B 124 8678 11518 12129 -352 -552 -1019 B C +ATOM 1956 OE1 GLU B 124 -20.440 -14.966 11.211 1.00 84.03 B O +ANISOU 1956 OE1 GLU B 124 8626 11347 11954 -348 -691 -995 B O +ATOM 1957 OE2 GLU B 124 -21.474 -13.536 12.528 1.00 92.17 B O +ANISOU 1957 OE2 GLU B 124 9399 12449 13172 -320 -539 -1081 B O +ATOM 1958 H GLU B 124 -16.980 -12.671 15.115 1.00 56.16 B H +ATOM 1959 HA GLU B 124 -17.031 -15.184 14.139 1.00 58.27 B H +ATOM 1960 HB2 GLU B 124 -18.274 -12.985 12.877 1.00 68.44 B H +ATOM 1961 HB3 GLU B 124 -17.921 -14.316 12.085 1.00 68.44 B H +ATOM 1962 HG2 GLU B 124 -19.381 -15.489 13.495 1.00 88.09 B H +ATOM 1963 HG3 GLU B 124 -19.793 -14.108 14.165 1.00 88.09 B H +ATOM 1964 N GLY B 125 -15.288 -14.640 12.309 1.00 46.48 B N +ANISOU 1964 N GLY B 125 4480 6502 6679 -237 -455 -728 B N +ATOM 1965 CA GLY B 125 -14.069 -14.319 11.592 1.00 44.59 B C +ANISOU 1965 CA GLY B 125 4385 6214 6342 -147 -501 -661 B C +ATOM 1966 C GLY B 125 -12.842 -14.388 12.476 1.00 44.14 B C +ANISOU 1966 C GLY B 125 4427 6146 6199 -163 -399 -598 B C +ATOM 1967 O GLY B 125 -12.696 -15.279 13.324 1.00 45.28 B O +ANISOU 1967 O GLY B 125 4599 6293 6312 -259 -323 -584 B O +ATOM 1968 H GLY B 125 -15.695 -15.345 12.033 1.00 55.79 B H +ATOM 1969 HA2 GLY B 125 -13.953 -14.945 10.861 1.00 53.52 B H +ATOM 1970 HA3 GLY B 125 -14.136 -13.421 11.232 1.00 53.52 B H +ATOM 1971 N LEU B 126 -11.934 -13.433 12.271 1.00 45.16 B N +ANISOU 1971 N LEU B 126 4614 6256 6287 -71 -404 -559 B N +ATOM 1972 CA LEU B 126 -10.650 -13.467 12.968 1.00 45.06 B C +ANISOU 1972 CA LEU B 126 4698 6223 6199 -77 -332 -491 B C +ATOM 1973 C LEU B 126 -10.824 -13.385 14.481 1.00 45.83 B C +ANISOU 1973 C LEU B 126 4750 6360 6305 -156 -226 -507 B C +ATOM 1974 O LEU B 126 -10.077 -14.021 15.234 1.00 43.61 B O +ANISOU 1974 O LEU B 126 4546 6059 5965 -214 -171 -460 B O +ATOM 1975 CB LEU B 126 -9.762 -12.344 12.460 1.00 47.08 B C +ANISOU 1975 CB LEU B 126 5007 6454 6429 32 -357 -454 B C +ATOM 1976 CG LEU B 126 -8.281 -12.381 12.811 1.00 45.81 B C +ANISOU 1976 CG LEU B 126 4950 6255 6201 44 -312 -375 B C +ATOM 1977 CD1 LEU B 126 -7.611 -13.678 12.454 1.00 45.27 B C +ANISOU 1977 CD1 LEU B 126 4979 6137 6084 11 -316 -324 B C +ATOM 1978 CD2 LEU B 126 -7.607 -11.220 12.089 1.00 48.83 B C +ANISOU 1978 CD2 LEU B 126 5370 6610 6573 153 -344 -351 B C +ATOM 1979 H LEU B 126 -12.034 -12.763 11.741 1.00 54.20 B H +ATOM 1980 HA LEU B 126 -10.211 -14.311 12.776 1.00 54.08 B H +ATOM 1981 HB2 LEU B 126 -9.817 -12.341 11.492 1.00 56.51 B H +ATOM 1982 HB3 LEU B 126 -10.110 -11.511 12.815 1.00 56.51 B H +ATOM 1983 HG LEU B 126 -8.185 -12.302 13.773 1.00 54.98 B H +ATOM 1984 HD11 LEU B 126 -6.649 -13.559 12.500 1.00 54.33 B H +ATOM 1985 HD12 LEU B 126 -7.891 -14.361 13.082 1.00 54.33 B H +ATOM 1986 HD13 LEU B 126 -7.870 -13.929 11.553 1.00 54.33 B H +ATOM 1987 HD21 LEU B 126 -6.658 -11.232 12.289 1.00 58.61 B H +ATOM 1988 HD22 LEU B 126 -7.745 -11.319 11.134 1.00 58.61 B H +ATOM 1989 HD23 LEU B 126 -7.999 -10.387 12.394 1.00 58.61 B H +ATOM 1990 N LEU B 127 -11.804 -12.607 14.957 1.00 40.59 B N +ANISOU 1990 N LEU B 127 3966 5742 5714 -157 -193 -573 B N +ATOM 1991 CA LEU B 127 -11.988 -12.514 16.405 1.00 42.55 B C +ANISOU 1991 CA LEU B 127 4190 6016 5960 -236 -78 -592 B C +ATOM 1992 C LEU B 127 -12.368 -13.866 17.002 1.00 45.57 B C +ANISOU 1992 C LEU B 127 4588 6399 6329 -362 -25 -599 B C +ATOM 1993 O LEU B 127 -11.958 -14.193 18.123 1.00 42.68 B O +ANISOU 1993 O LEU B 127 4287 6024 5907 -438 58 -576 B O +ATOM 1994 CB LEU B 127 -13.040 -11.456 16.745 1.00 44.85 B C +ANISOU 1994 CB LEU B 127 4348 6350 6342 -211 -39 -667 B C +ATOM 1995 CG LEU B 127 -13.471 -11.354 18.215 1.00 42.16 B C +ANISOU 1995 CG LEU B 127 3978 6031 6008 -299 99 -703 B C +ATOM 1996 CD1 LEU B 127 -12.300 -10.952 19.124 1.00 47.35 B C +ANISOU 1996 CD1 LEU B 127 4762 6663 6565 -307 151 -645 B C +ATOM 1997 CD2 LEU B 127 -14.637 -10.369 18.387 1.00 52.43 B C +ANISOU 1997 CD2 LEU B 127 5130 7369 7423 -265 141 -786 B C +ATOM 1998 H LEU B 127 -12.351 -12.144 14.482 1.00 48.72 B H +ATOM 1999 HA LEU B 127 -11.153 -12.230 16.808 1.00 51.07 B H +ATOM 2000 HB2 LEU B 127 -12.684 -10.589 16.493 1.00 53.83 B H +ATOM 2001 HB3 LEU B 127 -13.837 -11.651 16.228 1.00 53.83 B H +ATOM 2002 HG LEU B 127 -13.773 -12.233 18.493 1.00 50.60 B H +ATOM 2003 HD11 LEU B 127 -12.624 -10.859 20.033 1.00 56.83 B H +ATOM 2004 HD12 LEU B 127 -11.619 -11.642 19.084 1.00 56.83 B H +ATOM 2005 HD13 LEU B 127 -11.936 -10.109 18.814 1.00 56.83 B H +ATOM 2006 HD21 LEU B 127 -14.906 -10.357 19.319 1.00 62.93 B H +ATOM 2007 HD22 LEU B 127 -14.346 -9.485 18.115 1.00 62.93 B H +ATOM 2008 HD23 LEU B 127 -15.379 -10.658 17.832 1.00 62.93 B H +ATOM 2009 N ALA B 128 -13.144 -14.672 16.270 1.00 43.86 B N +ANISOU 2009 N ALA B 128 4321 6184 6158 -392 -77 -631 B N +ATOM 2010 CA ALA B 128 -13.500 -16.000 16.758 1.00 39.13 B C +ANISOU 2010 CA ALA B 128 3744 5580 5543 -515 -30 -637 B C +ATOM 2011 C ALA B 128 -12.286 -16.911 16.802 1.00 38.49 B C +ANISOU 2011 C ALA B 128 3823 5447 5355 -537 -39 -555 B C +ATOM 2012 O ALA B 128 -12.110 -17.662 17.755 1.00 41.57 B O +ANISOU 2012 O ALA B 128 4275 5823 5695 -632 33 -538 B O +ATOM 2013 CB ALA B 128 -14.587 -16.613 15.868 1.00 47.87 B C +ANISOU 2013 CB ALA B 128 4763 6697 6729 -540 -100 -688 B C +ATOM 2014 H ALA B 128 -13.471 -14.475 15.500 1.00 52.64 B H +ATOM 2015 HA ALA B 128 -13.853 -15.917 17.657 1.00 46.97 B H +ATOM 2016 HB1 ALA B 128 -14.805 -17.497 16.200 1.00 57.46 B H +ATOM 2017 HB2 ALA B 128 -15.373 -16.046 15.895 1.00 57.46 B H +ATOM 2018 HB3 ALA B 128 -14.254 -16.673 14.959 1.00 57.46 B H +ATOM 2019 N VAL B 129 -11.429 -16.850 15.781 1.00 40.08 B N +ANISOU 2019 N VAL B 129 4096 5612 5520 -448 -124 -503 B N +ATOM 2020 CA VAL B 129 -10.197 -17.624 15.803 1.00 37.81 B C +ANISOU 2020 CA VAL B 129 3949 5270 5148 -453 -127 -423 B C +ATOM 2021 C VAL B 129 -9.325 -17.200 16.976 1.00 39.04 B C +ANISOU 2021 C VAL B 129 4157 5418 5257 -465 -63 -380 B C +ATOM 2022 O VAL B 129 -8.816 -18.044 17.731 1.00 39.93 B O +ANISOU 2022 O VAL B 129 4355 5501 5315 -536 -28 -339 B O +ATOM 2023 CB VAL B 129 -9.427 -17.478 14.484 1.00 39.42 B C +ANISOU 2023 CB VAL B 129 4215 5430 5331 -347 -210 -380 B C +ATOM 2024 CG1 VAL B 129 -8.143 -18.268 14.554 1.00 38.64 B C +ANISOU 2024 CG1 VAL B 129 4246 5271 5166 -347 -200 -298 B C +ATOM 2025 CG2 VAL B 129 -10.266 -17.962 13.317 1.00 44.65 B C +ANISOU 2025 CG2 VAL B 129 4855 6086 6024 -342 -286 -419 B C +ATOM 2026 H VAL B 129 -11.538 -16.372 15.075 1.00 48.10 B H +ATOM 2027 HA VAL B 129 -10.439 -18.557 15.912 1.00 45.39 B H +ATOM 2028 HB VAL B 129 -9.220 -16.541 14.341 1.00 47.31 B H +ATOM 2029 HG11 VAL B 129 -7.785 -18.370 13.658 1.00 46.38 B H +ATOM 2030 HG12 VAL B 129 -7.508 -17.790 15.110 1.00 46.38 B H +ATOM 2031 HG13 VAL B 129 -8.328 -19.139 14.937 1.00 46.38 B H +ATOM 2032 HG21 VAL B 129 -9.737 -17.911 12.506 1.00 53.59 B H +ATOM 2033 HG22 VAL B 129 -10.534 -18.880 13.481 1.00 53.59 B H +ATOM 2034 HG23 VAL B 129 -11.051 -17.398 13.237 1.00 53.59 B H +ATOM 2035 N CYS B 130 -9.126 -15.894 17.141 1.00 38.90 B N +ANISOU 2035 N CYS B 130 4100 5423 5258 -398 -57 -386 B N +ATOM 2036 CA ACYS B 130 -8.176 -15.413 18.142 0.53 41.15 B C +ANISOU 2036 CA ACYS B 130 4448 5693 5496 -403 -18 -338 B C +ATOM 2037 CA BCYS B 130 -8.163 -15.434 18.136 0.47 41.15 B C +ANISOU 2037 CA BCYS B 130 4449 5691 5494 -403 -18 -337 B C +ATOM 2038 C CYS B 130 -8.607 -15.795 19.550 1.00 40.39 B C +ANISOU 2038 C CYS B 130 4370 5605 5371 -520 69 -359 B C +ATOM 2039 O CYS B 130 -7.785 -16.203 20.374 1.00 38.56 B O +ANISOU 2039 O CYS B 130 4239 5336 5075 -567 85 -304 B O +ATOM 2040 CB ACYS B 130 -8.036 -13.896 18.045 0.53 43.99 B C +ANISOU 2040 CB ACYS B 130 4759 6073 5881 -316 -25 -350 B C +ATOM 2041 CB BCYS B 130 -7.947 -13.926 18.011 0.47 43.98 B C +ANISOU 2041 CB BCYS B 130 4764 6069 5877 -313 -28 -344 B C +ATOM 2042 SG ACYS B 130 -7.225 -13.330 16.574 0.53 42.78 B S +ANISOU 2042 SG ACYS B 130 4626 5892 5738 -182 -111 -309 B S +ATOM 2043 SG BCYS B 130 -6.636 -13.289 19.093 0.47 41.94 B S +ANISOU 2043 SG BCYS B 130 4593 5781 5561 -314 -5 -277 B S +ATOM 2044 H ACYS B 130 -9.521 -15.275 16.694 0.53 46.69 B H +ATOM 2045 H BCYS B 130 -9.525 -15.271 16.702 0.47 46.69 B H +ATOM 2046 HA ACYS B 130 -7.314 -15.819 17.962 0.53 49.40 B H +ATOM 2047 HA BCYS B 130 -7.314 -15.872 17.967 0.47 49.39 B H +ATOM 2048 HB2ACYS B 130 -8.922 -13.501 18.062 0.53 52.80 B H +ATOM 2049 HB2BCYS B 130 -7.703 -13.721 17.095 0.47 52.79 B H +ATOM 2050 HB3ACYS B 130 -7.519 -13.584 18.804 0.53 52.80 B H +ATOM 2051 HB3BCYS B 130 -8.772 -13.472 18.244 0.47 52.79 B H +ATOM 2052 HG ACYS B 130 -7.752 -13.832 15.619 0.53 51.35 B H +ATOM 2053 HG BCYS B 130 -6.459 -12.127 18.850 0.47 50.34 B H +ATOM 2054 N ILE B 131 -9.902 -15.662 19.849 1.00 39.51 B N +ANISOU 2054 N ILE B 131 4164 5537 5310 -570 127 -439 B N +ATOM 2055 CA ILE B 131 -10.330 -15.953 21.223 1.00 43.74 B C +ANISOU 2055 CA ILE B 131 4730 6074 5815 -686 231 -464 B C +ATOM 2056 C ILE B 131 -10.152 -17.430 21.548 1.00 44.41 B C +ANISOU 2056 C ILE B 131 4911 6121 5843 -784 241 -432 B C +ATOM 2057 O ILE B 131 -9.831 -17.786 22.691 1.00 43.53 B O +ANISOU 2057 O ILE B 131 4901 5979 5661 -868 296 -408 B O +ATOM 2058 CB ILE B 131 -11.767 -15.484 21.457 1.00 45.03 B C +ANISOU 2058 CB ILE B 131 4760 6288 6062 -717 308 -560 B C +ATOM 2059 CG1 ILE B 131 -12.061 -15.426 22.965 1.00 45.18 B C +ANISOU 2059 CG1 ILE B 131 4830 6299 6039 -822 438 -585 B C +ATOM 2060 CG2 ILE B 131 -12.761 -16.393 20.783 1.00 43.93 B C +ANISOU 2060 CG2 ILE B 131 4538 6166 5987 -760 292 -605 B C +ATOM 2061 CD1 ILE B 131 -11.247 -14.370 23.714 1.00 48.63 B C +ANISOU 2061 CD1 ILE B 131 5344 6717 6416 -787 456 -552 B C +ATOM 2062 H ILE B 131 -10.522 -15.419 19.305 1.00 47.42 B H +ATOM 2063 HA ILE B 131 -9.760 -15.451 21.827 1.00 52.50 B H +ATOM 2064 HB ILE B 131 -11.853 -14.598 21.072 1.00 54.05 B H +ATOM 2065 HG12 ILE B 131 -13.001 -15.220 23.092 1.00 54.23 B H +ATOM 2066 HG13 ILE B 131 -11.856 -16.290 23.356 1.00 54.23 B H +ATOM 2067 HG21 ILE B 131 -13.619 -15.945 20.737 1.00 52.73 B H +ATOM 2068 HG22 ILE B 131 -12.446 -16.597 19.888 1.00 52.73 B H +ATOM 2069 HG23 ILE B 131 -12.841 -17.211 21.299 1.00 52.73 B H +ATOM 2070 HD11 ILE B 131 -11.674 -14.185 24.564 1.00 58.37 B H +ATOM 2071 HD12 ILE B 131 -10.350 -14.709 23.861 1.00 58.37 B H +ATOM 2072 HD13 ILE B 131 -11.211 -13.561 23.179 1.00 58.37 B H +ATOM 2073 N GLN B 132 -10.319 -18.313 20.559 1.00 38.75 B N +ANISOU 2073 N GLN B 132 4180 5396 5147 -777 181 -428 B N +ATOM 2074 CA GLN B 132 -10.091 -19.733 20.798 1.00 45.34 B C +ANISOU 2074 CA GLN B 132 5117 6187 5925 -863 186 -394 B C +ATOM 2075 C GLN B 132 -8.608 -20.026 20.962 1.00 42.94 B C +ANISOU 2075 C GLN B 132 4944 5823 5547 -829 137 -298 B C +ATOM 2076 O GLN B 132 -8.211 -20.811 21.840 1.00 40.57 B O +ANISOU 2076 O GLN B 132 4754 5479 5180 -909 163 -262 B O +ATOM 2077 CB GLN B 132 -10.678 -20.564 19.655 1.00 37.74 B C +ANISOU 2077 CB GLN B 132 4112 5226 5003 -863 132 -417 B C +ATOM 2078 CG GLN B 132 -12.197 -20.424 19.564 1.00 39.56 B C +ANISOU 2078 CG GLN B 132 4200 5509 5321 -913 172 -511 B C +ATOM 2079 CD GLN B 132 -12.790 -21.187 18.388 1.00 43.81 B C +ANISOU 2079 CD GLN B 132 4698 6045 5903 -915 97 -534 B C +ATOM 2080 NE2 GLN B 132 -13.191 -20.464 17.344 1.00 42.85 B N +ANISOU 2080 NE2 GLN B 132 4479 5950 5852 -825 21 -564 B N +ATOM 2081 OE1 GLN B 132 -12.896 -22.405 18.427 1.00 47.71 B O +ANISOU 2081 OE1 GLN B 132 5258 6507 6362 -999 103 -524 B O +ATOM 2082 H GLN B 132 -10.559 -18.117 19.757 1.00 46.51 B H +ATOM 2083 HA GLN B 132 -10.545 -19.990 21.616 1.00 54.43 B H +ATOM 2084 HB2 GLN B 132 -10.295 -20.265 18.816 1.00 45.23 B H +ATOM 2085 HB3 GLN B 132 -10.468 -21.500 19.802 1.00 45.23 B H +ATOM 2086 HG2 GLN B 132 -12.596 -20.771 20.377 1.00 47.48 B H +ATOM 2087 HG3 GLN B 132 -12.422 -19.487 19.457 1.00 47.48 B H +ATOM 2088 HE21 GLN B 132 -13.108 -19.608 17.357 1.00 51.43 B H +ATOM 2089 HE22 GLN B 132 -13.532 -20.853 16.657 1.00 51.43 B H +ATOM 2090 N HIS B 133 -7.778 -19.412 20.118 1.00 37.14 B N +ANISOU 2090 N HIS B 133 4201 5081 4831 -711 67 -258 B N +ATOM 2091 CA HIS B 133 -6.333 -19.554 20.266 1.00 38.94 B C +ANISOU 2091 CA HIS B 133 4529 5252 5016 -670 24 -168 B C +ATOM 2092 C HIS B 133 -5.886 -19.098 21.643 1.00 36.24 B C +ANISOU 2092 C HIS B 133 4245 4897 4626 -719 57 -144 B C +ATOM 2093 O HIS B 133 -5.119 -19.800 22.324 1.00 39.90 B O +ANISOU 2093 O HIS B 133 4818 5305 5036 -764 42 -84 B O +ATOM 2094 CB HIS B 133 -5.655 -18.754 19.154 1.00 42.01 B C +ANISOU 2094 CB HIS B 133 4879 5639 5444 -539 -36 -141 B C +ATOM 2095 CG HIS B 133 -4.161 -18.808 19.162 1.00 38.97 B C +ANISOU 2095 CG HIS B 133 4568 5195 5043 -486 -76 -52 B C +ATOM 2096 CD2 HIS B 133 -3.253 -18.339 20.053 1.00 38.42 B C +ANISOU 2096 CD2 HIS B 133 4540 5102 4954 -488 -84 -1 B C +ATOM 2097 ND1 HIS B 133 -3.438 -19.346 18.122 1.00 39.75 B N +ANISOU 2097 ND1 HIS B 133 4700 5247 5156 -418 -116 -6 B N +ATOM 2098 CE1 HIS B 133 -2.148 -19.224 18.375 1.00 41.14 B C +ANISOU 2098 CE1 HIS B 133 4920 5376 5335 -378 -140 69 B C +ATOM 2099 NE2 HIS B 133 -2.008 -18.623 19.548 1.00 36.64 B N +ANISOU 2099 NE2 HIS B 133 4355 4820 4746 -421 -131 75 B N +ATOM 2100 H HIS B 133 -8.023 -18.915 19.461 1.00 44.59 B H +ATOM 2101 HA HIS B 133 -6.068 -20.483 20.175 1.00 46.75 B H +ATOM 2102 HB2 HIS B 133 -5.955 -19.101 18.299 1.00 50.42 B H +ATOM 2103 HB3 HIS B 133 -5.914 -17.824 19.244 1.00 50.42 B H +ATOM 2104 HD1 HIS B 133 -3.774 -19.705 17.417 1.00 47.71 B H +ATOM 2105 HD2 HIS B 133 -3.438 -17.906 20.855 1.00 46.11 B H +ATOM 2106 HE1 HIS B 133 -1.455 -19.512 17.825 1.00 49.38 B H +ATOM 2107 N GLU B 134 -6.402 -17.957 22.097 1.00 35.96 B N +ANISOU 2107 N GLU B 134 4149 4906 4608 -715 101 -192 B N +ATOM 2108 CA GLU B 134 -5.951 -17.398 23.377 1.00 42.84 B C +ANISOU 2108 CA GLU B 134 5093 5759 5426 -759 129 -170 B C +ATOM 2109 C GLU B 134 -6.515 -18.189 24.563 1.00 42.07 B C +ANISOU 2109 C GLU B 134 5080 5640 5264 -896 203 -191 B C +ATOM 2110 O GLU B 134 -5.800 -18.449 25.534 1.00 38.97 B O +ANISOU 2110 O GLU B 134 4813 5194 4799 -950 192 -139 B O +ATOM 2111 CB GLU B 134 -6.332 -15.924 23.464 1.00 44.03 B C +ANISOU 2111 CB GLU B 134 5165 5955 5609 -710 160 -217 B C +ATOM 2112 CG GLU B 134 -5.787 -15.045 22.316 1.00 47.71 B C +ANISOU 2112 CG GLU B 134 5561 6435 6130 -577 91 -198 B C +ATOM 2113 CD GLU B 134 -4.268 -15.006 22.248 1.00 53.92 B C +ANISOU 2113 CD GLU B 134 6420 7170 6899 -528 18 -105 B C +ATOM 2114 OE1 GLU B 134 -3.603 -15.566 23.143 1.00 55.91 B O +ANISOU 2114 OE1 GLU B 134 6772 7375 7098 -590 5 -53 B O +ATOM 2115 OE2 GLU B 134 -3.727 -14.406 21.284 1.00 54.56 B O +ANISOU 2115 OE2 GLU B 134 6457 7252 7022 -426 -29 -84 B O +ATOM 2116 H GLU B 134 -7.003 -17.492 21.694 1.00 43.16 B H +ATOM 2117 HA GLU B 134 -4.984 -17.457 23.423 1.00 51.42 B H +ATOM 2118 HB2 GLU B 134 -7.299 -15.855 23.451 1.00 52.84 B H +ATOM 2119 HB3 GLU B 134 -5.985 -15.565 24.296 1.00 52.84 B H +ATOM 2120 HG2 GLU B 134 -6.113 -15.396 21.473 1.00 57.26 B H +ATOM 2121 HG3 GLU B 134 -6.102 -14.136 22.442 1.00 57.26 B H +ATOM 2122 N CYS B 135 -7.785 -18.580 24.508 1.00 38.00 B N +ANISOU 2122 N CYS B 135 4502 5161 4777 -958 278 -266 B N +ATOM 2123 CA CYS B 135 -8.329 -19.433 25.568 1.00 42.36 B C +ANISOU 2123 CA CYS B 135 5142 5685 5267 -1097 361 -287 B C +ATOM 2124 C CYS B 135 -7.581 -20.760 25.649 1.00 46.65 B C +ANISOU 2124 C CYS B 135 5813 6163 5749 -1138 305 -216 B C +ATOM 2125 O CYS B 135 -7.324 -21.267 26.751 1.00 48.77 B O +ANISOU 2125 O CYS B 135 6222 6378 5932 -1230 331 -189 B O +ATOM 2126 CB CYS B 135 -9.830 -19.682 25.354 1.00 39.40 B C +ANISOU 2126 CB CYS B 135 4656 5360 4956 -1155 450 -380 B C +ATOM 2127 SG CYS B 135 -10.837 -18.213 25.800 1.00 51.50 B S +ANISOU 2127 SG CYS B 135 6066 6949 6551 -1143 556 -470 B S +ATOM 2128 H CYS B 135 -8.342 -18.373 23.885 1.00 45.62 B H +ATOM 2129 HA CYS B 135 -8.225 -18.968 26.413 1.00 50.84 B H +ATOM 2130 HB2 CYS B 135 -9.989 -19.887 24.420 1.00 47.30 B H +ATOM 2131 HB3 CYS B 135 -10.113 -20.424 25.910 1.00 47.30 B H +ATOM 2132 HG CYS B 135 -11.996 -18.467 25.625 1.00 61.81 B H +ATOM 2133 N ASP B 136 -7.245 -21.346 24.495 1.00 37.56 B N +ANISOU 2133 N ASP B 136 4627 5008 4637 -1071 230 -187 B N +ATOM 2134 CA ASP B 136 -6.427 -22.544 24.476 1.00 42.14 B C +ANISOU 2134 CA ASP B 136 5324 5519 5170 -1089 173 -116 B C +ATOM 2135 C ASP B 136 -5.185 -22.376 25.347 1.00 44.03 B C +ANISOU 2135 C ASP B 136 5682 5697 5350 -1083 121 -35 B C +ATOM 2136 O ASP B 136 -4.853 -23.261 26.155 1.00 39.49 B O +ANISOU 2136 O ASP B 136 5243 5058 4703 -1162 114 5 B O +ATOM 2137 CB ASP B 136 -6.039 -22.898 23.029 1.00 38.07 B C +ANISOU 2137 CB ASP B 136 4755 5000 4708 -988 100 -91 B C +ATOM 2138 CG ASP B 136 -7.112 -23.701 22.319 1.00 42.36 B C +ANISOU 2138 CG ASP B 136 5250 5566 5278 -1032 126 -148 B C +ATOM 2139 OD1 ASP B 136 -8.180 -23.917 22.936 1.00 45.45 B O +ANISOU 2139 OD1 ASP B 136 5626 5982 5662 -1137 205 -210 B O +ATOM 2140 OD2 ASP B 136 -6.889 -24.128 21.153 1.00 41.13 B O +ANISOU 2140 OD2 ASP B 136 5078 5397 5152 -966 71 -132 B O +ATOM 2141 H ASP B 136 -7.480 -21.066 23.717 1.00 45.02 B H +ATOM 2142 HA ASP B 136 -6.946 -23.282 24.833 1.00 50.59 B H +ATOM 2143 HB2 ASP B 136 -5.896 -22.079 22.529 1.00 45.69 B H +ATOM 2144 HB3 ASP B 136 -5.225 -23.426 23.039 1.00 45.69 B H +ATOM 2145 N HIS B 137 -4.476 -21.253 25.187 1.00 39.33 B N +ANISOU 2145 N HIS B 137 5041 5115 4786 -992 76 -8 B N +ATOM 2146 CA HIS B 137 -3.269 -21.039 25.973 1.00 37.75 B C +ANISOU 2146 CA HIS B 137 4942 4856 4547 -986 9 70 B C +ATOM 2147 C HIS B 137 -3.559 -21.113 27.470 1.00 41.89 B C +ANISOU 2147 C HIS B 137 5594 5347 4975 -1110 57 61 B C +ATOM 2148 O HIS B 137 -2.758 -21.655 28.236 1.00 40.32 B O +ANISOU 2148 O HIS B 137 5530 5073 4715 -1151 -3 128 B O +ATOM 2149 CB HIS B 137 -2.651 -19.674 25.690 1.00 37.64 B C +ANISOU 2149 CB HIS B 137 4854 4867 4580 -888 -30 86 B C +ATOM 2150 CG HIS B 137 -1.768 -19.618 24.488 1.00 37.83 B C +ANISOU 2150 CG HIS B 137 4810 4883 4679 -767 -101 134 B C +ATOM 2151 CD2 HIS B 137 -1.843 -18.860 23.362 1.00 43.24 B C +ANISOU 2151 CD2 HIS B 137 5382 5614 5434 -667 -102 110 B C +ATOM 2152 ND1 HIS B 137 -0.609 -20.353 24.375 1.00 35.68 B N +ANISOU 2152 ND1 HIS B 137 4595 4541 4419 -736 -176 219 B N +ATOM 2153 CE1 HIS B 137 -0.027 -20.081 23.216 1.00 39.84 B C +ANISOU 2153 CE1 HIS B 137 5043 5071 5022 -625 -206 243 B C +ATOM 2154 NE2 HIS B 137 -0.751 -19.168 22.588 1.00 36.52 B N +ANISOU 2154 NE2 HIS B 137 4528 4718 4629 -584 -164 178 B N +ATOM 2155 H HIS B 137 -4.672 -20.616 24.643 1.00 47.20 B H +ATOM 2156 HA HIS B 137 -2.641 -21.732 25.714 1.00 45.31 B H +ATOM 2157 HB2 HIS B 137 -3.368 -19.035 25.554 1.00 45.18 B H +ATOM 2158 HB3 HIS B 137 -2.116 -19.414 26.456 1.00 45.18 B H +ATOM 2159 HD1 HIS B 137 -0.310 -20.903 24.965 1.00 42.82 B H +ATOM 2160 HD2 HIS B 137 -2.510 -18.246 23.155 1.00 51.90 B H +ATOM 2161 HE1 HIS B 137 0.757 -20.467 22.898 1.00 47.81 B H +ATOM 2162 N LEU B 138 -4.674 -20.513 27.903 1.00 38.35 B N +ANISOU 2162 N LEU B 138 5110 4948 4514 -1166 163 -22 B N +ATOM 2163 CA LEU B 138 -5.044 -20.519 29.313 1.00 39.09 B C +ANISOU 2163 CA LEU B 138 5337 5006 4511 -1289 234 -41 B C +ATOM 2164 C LEU B 138 -5.374 -21.907 29.826 1.00 47.28 B C +ANISOU 2164 C LEU B 138 6496 5990 5479 -1402 268 -37 B C +ATOM 2165 O LEU B 138 -5.376 -22.123 31.050 1.00 48.38 B O +ANISOU 2165 O LEU B 138 6797 6070 5515 -1508 302 -28 B O +ATOM 2166 CB LEU B 138 -6.250 -19.618 29.541 1.00 48.82 B C +ANISOU 2166 CB LEU B 138 6485 6300 5764 -1317 363 -139 B C +ATOM 2167 CG LEU B 138 -6.090 -18.155 29.141 1.00 44.69 B C +ANISOU 2167 CG LEU B 138 5854 5827 5301 -1214 347 -155 B C +ATOM 2168 CD1 LEU B 138 -7.381 -17.429 29.453 1.00 46.60 B C +ANISOU 2168 CD1 LEU B 138 6020 6119 5568 -1250 487 -255 B C +ATOM 2169 CD2 LEU B 138 -4.909 -17.490 29.815 1.00 44.23 B C +ANISOU 2169 CD2 LEU B 138 5901 5717 5188 -1195 265 -85 B C +ATOM 2170 H LEU B 138 -5.231 -20.096 27.397 1.00 46.03 B H +ATOM 2171 HA LEU B 138 -4.292 -20.175 29.820 1.00 46.93 B H +ATOM 2172 HB2 LEU B 138 -6.993 -19.974 29.029 1.00 58.59 B H +ATOM 2173 HB3 LEU B 138 -6.462 -19.633 30.487 1.00 58.59 B H +ATOM 2174 HG LEU B 138 -5.904 -18.104 28.190 1.00 53.64 B H +ATOM 2175 HD11 LEU B 138 -7.252 -16.479 29.307 1.00 55.94 B H +ATOM 2176 HD12 LEU B 138 -8.079 -17.762 28.867 1.00 55.94 B H +ATOM 2177 HD13 LEU B 138 -7.620 -17.592 30.378 1.00 55.94 B H +ATOM 2178 HD21 LEU B 138 -4.919 -16.542 29.606 1.00 53.09 B H +ATOM 2179 HD22 LEU B 138 -4.979 -17.618 30.774 1.00 53.09 B H +ATOM 2180 HD23 LEU B 138 -4.090 -17.892 29.486 1.00 53.09 B H +ATOM 2181 N ASN B 139 -5.693 -22.839 28.927 1.00 42.10 B N +ANISOU 2181 N ASN B 139 5778 5349 4868 -1389 263 -45 B N +ATOM 2182 CA ASN B 139 -5.892 -24.235 29.269 1.00 48.46 B C +ANISOU 2182 CA ASN B 139 6702 6098 5613 -1487 280 -32 B C +ATOM 2183 C ASN B 139 -4.650 -25.064 28.974 1.00 44.97 B C +ANISOU 2183 C ASN B 139 6339 5586 5160 -1434 151 66 B C +ATOM 2184 O ASN B 139 -4.723 -26.292 28.926 1.00 45.94 B O +ANISOU 2184 O ASN B 139 6540 5663 5251 -1485 147 82 B O +ATOM 2185 CB ASN B 139 -7.116 -24.774 28.530 1.00 40.39 B C +ANISOU 2185 CB ASN B 139 5570 5130 4647 -1520 362 -109 B C +ATOM 2186 CG ASN B 139 -8.391 -24.099 28.984 1.00 49.12 B C +ANISOU 2186 CG ASN B 139 6600 6291 5772 -1588 501 -207 B C +ATOM 2187 ND2 ASN B 139 -9.325 -23.898 28.071 1.00 53.06 B N +ANISOU 2187 ND2 ASN B 139 6924 6864 6371 -1557 539 -275 B N +ATOM 2188 OD1 ASN B 139 -8.528 -23.747 30.154 1.00 49.06 B O +ANISOU 2188 OD1 ASN B 139 6695 6255 5691 -1668 573 -220 B O +ATOM 2189 H ASN B 139 -5.802 -22.676 28.089 1.00 50.53 B H +ATOM 2190 HA ASN B 139 -6.073 -24.319 30.219 1.00 58.16 B H +ATOM 2191 HB2 ASN B 139 -7.011 -24.616 27.579 1.00 48.41 B H +ATOM 2192 HB3 ASN B 139 -7.199 -25.726 28.700 1.00 48.41 B H +ATOM 2193 HD21 ASN B 139 -10.064 -23.517 28.289 1.00 63.68 B H +ATOM 2194 HD22 ASN B 139 -9.193 -24.148 27.259 1.00 63.68 B H +ATOM 2195 N GLY B 140 -3.511 -24.412 28.777 1.00 41.86 B N +ANISOU 2195 N GLY B 140 5926 5179 4801 -1332 49 130 B N +ATOM 2196 CA GLY B 140 -2.291 -25.139 28.506 1.00 47.33 B C +ANISOU 2196 CA GLY B 140 6677 5800 5506 -1274 -68 223 B C +ATOM 2197 C GLY B 140 -2.216 -25.772 27.139 1.00 45.67 B C +ANISOU 2197 C GLY B 140 6374 5604 5373 -1191 -87 229 B C +ATOM 2198 O GLY B 140 -1.452 -26.713 26.949 1.00 43.03 B O +ANISOU 2198 O GLY B 140 6107 5201 5040 -1166 -154 294 B O +ATOM 2199 H GLY B 140 -3.424 -23.557 28.795 1.00 50.25 B H +ATOM 2200 HA2 GLY B 140 -1.542 -24.529 28.591 1.00 56.81 B H +ATOM 2201 HA3 GLY B 140 -2.199 -25.846 29.164 1.00 56.81 B H +ATOM 2202 N LYS B 141 -2.961 -25.256 26.168 1.00 44.32 B N +ANISOU 2202 N LYS B 141 6059 5514 5267 -1144 -35 163 B N +ATOM 2203 CA LYS B 141 -3.001 -25.806 24.825 1.00 43.01 B C +ANISOU 2203 CA LYS B 141 5821 5358 5162 -1073 -50 160 B C +ATOM 2204 C LYS B 141 -2.390 -24.844 23.811 1.00 40.87 B C +ANISOU 2204 C LYS B 141 5432 5120 4976 -935 -92 176 B C +ATOM 2205 O LYS B 141 -2.589 -23.621 23.888 1.00 42.14 B O +ANISOU 2205 O LYS B 141 5514 5337 5161 -906 -75 144 B O +ATOM 2206 CB LYS B 141 -4.445 -26.129 24.429 1.00 42.65 B C +ANISOU 2206 CB LYS B 141 5717 5369 5120 -1139 34 70 B C +ATOM 2207 CG LYS B 141 -4.576 -26.837 23.089 1.00 53.95 B C +ANISOU 2207 CG LYS B 141 7104 6798 6595 -1086 12 64 B C +ATOM 2208 CD LYS B 141 -5.997 -27.363 22.878 1.00 69.46 B C +ANISOU 2208 CD LYS B 141 9031 8802 8558 -1179 81 -19 B C +ATOM 2209 CE LYS B 141 -5.993 -28.627 22.015 1.00 82.70 B C +ANISOU 2209 CE LYS B 141 10759 10433 10230 -1180 54 -4 B C +ATOM 2210 NZ LYS B 141 -7.367 -29.138 21.718 1.00 75.35 B N +ANISOU 2210 NZ LYS B 141 9781 9538 9309 -1272 106 -85 B N +ATOM 2211 H LYS B 141 -3.465 -24.566 26.270 1.00 53.20 B H +ATOM 2212 HA LYS B 141 -2.471 -26.618 24.800 1.00 51.62 B H +ATOM 2213 HB2 LYS B 141 -4.831 -26.706 25.106 1.00 51.19 B H +ATOM 2214 HB3 LYS B 141 -4.945 -25.300 24.375 1.00 51.19 B H +ATOM 2215 HG2 LYS B 141 -4.372 -26.214 22.374 1.00 64.75 B H +ATOM 2216 HG3 LYS B 141 -3.964 -27.588 23.059 1.00 64.75 B H +ATOM 2217 HD2 LYS B 141 -6.391 -27.580 23.738 1.00 83.36 B H +ATOM 2218 HD3 LYS B 141 -6.529 -26.687 22.430 1.00 83.36 B H +ATOM 2219 HE2 LYS B 141 -5.559 -28.430 21.170 1.00 99.25 B H +ATOM 2220 HE3 LYS B 141 -5.509 -29.326 22.482 1.00 99.25 B H +ATOM 2221 HZ1 LYS B 141 -7.318 -29.944 21.346 1.00 90.43 B H +ATOM 2222 HZ2 LYS B 141 -7.840 -29.195 22.471 1.00 90.43 B H +ATOM 2223 HZ3 LYS B 141 -7.783 -28.585 21.158 1.00 90.43 B H +ATOM 2224 N LEU B 142 -1.647 -25.416 22.867 1.00 38.78 B N +ANISOU 2224 N LEU B 142 5167 4814 4755 -852 -140 224 B N +ATOM 2225 CA LEU B 142 -0.982 -24.721 21.776 1.00 41.02 B C +ANISOU 2225 CA LEU B 142 5361 5108 5116 -722 -170 245 B C +ATOM 2226 C LEU B 142 -1.532 -25.220 20.448 1.00 36.80 B C +ANISOU 2226 C LEU B 142 4789 4586 4606 -685 -149 208 B C +ATOM 2227 O LEU B 142 -2.043 -26.332 20.353 1.00 39.80 B O +ANISOU 2227 O LEU B 142 5229 4942 4951 -747 -132 193 B O +ATOM 2228 CB LEU B 142 0.535 -24.960 21.808 1.00 42.07 B C +ANISOU 2228 CB LEU B 142 5536 5162 5287 -651 -238 343 B C +ATOM 2229 CG LEU B 142 1.219 -24.677 23.150 1.00 47.08 B C +ANISOU 2229 CG LEU B 142 6232 5761 5894 -694 -290 394 B C +ATOM 2230 CD1 LEU B 142 2.635 -25.220 23.193 1.00 45.40 B C +ANISOU 2230 CD1 LEU B 142 6061 5457 5731 -635 -368 492 B C +ATOM 2231 CD2 LEU B 142 1.212 -23.174 23.373 1.00 43.43 B C +ANISOU 2231 CD2 LEU B 142 5692 5358 5452 -668 -287 372 B C +ATOM 2232 H LEU B 142 -1.506 -26.264 22.837 1.00 46.55 B H +ATOM 2233 HA LEU B 142 -1.148 -23.768 21.853 1.00 49.23 B H +ATOM 2234 HB2 LEU B 142 0.702 -25.890 21.589 1.00 50.50 B H +ATOM 2235 HB3 LEU B 142 0.948 -24.384 21.146 1.00 50.50 B H +ATOM 2236 HG LEU B 142 0.739 -25.124 23.864 1.00 56.50 B H +ATOM 2237 HD11 LEU B 142 3.034 -24.994 24.047 1.00 54.49 B H +ATOM 2238 HD12 LEU B 142 2.606 -26.184 23.086 1.00 54.49 B H +ATOM 2239 HD13 LEU B 142 3.148 -24.822 22.472 1.00 54.49 B H +ATOM 2240 HD21 LEU B 142 1.669 -22.976 24.206 1.00 52.13 B H +ATOM 2241 HD22 LEU B 142 1.668 -22.742 22.634 1.00 52.13 B H +ATOM 2242 HD23 LEU B 142 0.293 -22.866 23.420 1.00 52.13 B H +ATOM 2243 N PHE B 143 -1.395 -24.405 19.405 1.00 36.82 B N +ANISOU 2243 N PHE B 143 4707 4618 4664 -587 -154 195 B N +ATOM 2244 CA PHE B 143 -2.012 -24.773 18.134 1.00 35.67 B C +ANISOU 2244 CA PHE B 143 4540 4481 4531 -557 -143 154 B C +ATOM 2245 C PHE B 143 -1.346 -25.990 17.512 1.00 35.80 B C +ANISOU 2245 C PHE B 143 4644 4413 4544 -528 -156 205 B C +ATOM 2246 O PHE B 143 -1.985 -26.704 16.736 1.00 40.67 B O +ANISOU 2246 O PHE B 143 5287 5021 5143 -545 -146 171 B O +ATOM 2247 CB PHE B 143 -2.028 -23.564 17.193 1.00 39.36 B C +ANISOU 2247 CB PHE B 143 4917 4991 5047 -461 -149 129 B C +ATOM 2248 CG PHE B 143 -0.743 -23.319 16.436 1.00 36.81 B C +ANISOU 2248 CG PHE B 143 4606 4613 4769 -347 -167 193 B C +ATOM 2249 CD1 PHE B 143 -0.513 -23.935 15.225 1.00 40.00 B C +ANISOU 2249 CD1 PHE B 143 5053 4966 5181 -290 -163 204 B C +ATOM 2250 CD2 PHE B 143 0.205 -22.446 16.926 1.00 40.08 B C +ANISOU 2250 CD2 PHE B 143 4988 5022 5218 -301 -181 240 B C +ATOM 2251 CE1 PHE B 143 0.658 -23.698 14.515 1.00 44.60 B C +ANISOU 2251 CE1 PHE B 143 5645 5490 5810 -186 -158 260 B C +ATOM 2252 CE2 PHE B 143 1.383 -22.193 16.215 1.00 41.54 B C +ANISOU 2252 CE2 PHE B 143 5170 5155 5460 -200 -186 297 B C +ATOM 2253 CZ PHE B 143 1.606 -22.837 15.010 1.00 37.29 B C +ANISOU 2253 CZ PHE B 143 4673 4563 4933 -142 -167 306 B C +ATOM 2254 H PHE B 143 -0.964 -23.660 19.406 1.00 44.19 B H +ATOM 2255 HA PHE B 143 -2.941 -25.016 18.272 1.00 42.81 B H +ATOM 2256 HB2 PHE B 143 -2.730 -23.696 16.537 1.00 47.24 B H +ATOM 2257 HB3 PHE B 143 -2.210 -22.770 17.719 1.00 47.24 B H +ATOM 2258 HD1 PHE B 143 -1.150 -24.517 14.877 1.00 48.02 B H +ATOM 2259 HD2 PHE B 143 0.059 -22.019 17.739 1.00 48.11 B H +ATOM 2260 HE1 PHE B 143 0.801 -24.125 13.701 1.00 53.53 B H +ATOM 2261 HE2 PHE B 143 2.013 -21.597 16.550 1.00 49.87 B H +ATOM 2262 HZ PHE B 143 2.394 -22.688 14.539 1.00 44.76 B H +ATOM 2263 N VAL B 144 -0.095 -26.278 17.869 1.00 38.77 B N +ANISOU 2263 N VAL B 144 5069 4722 4941 -487 -179 285 B N +ATOM 2264 CA VAL B 144 0.571 -27.464 17.368 1.00 37.11 B C +ANISOU 2264 CA VAL B 144 4944 4423 4735 -456 -184 336 B C +ATOM 2265 C VAL B 144 -0.086 -28.742 17.884 1.00 39.22 B C +ANISOU 2265 C VAL B 144 5305 4663 4934 -564 -176 321 B C +ATOM 2266 O VAL B 144 0.132 -29.809 17.303 1.00 41.62 B O +ANISOU 2266 O VAL B 144 5686 4898 5228 -550 -171 342 B O +ATOM 2267 CB VAL B 144 2.063 -27.458 17.746 1.00 41.23 B C +ANISOU 2267 CB VAL B 144 5479 4874 5314 -388 -216 427 B C +ATOM 2268 CG1 VAL B 144 2.751 -26.273 17.079 1.00 44.19 B C +ANISOU 2268 CG1 VAL B 144 5763 5264 5762 -282 -212 441 B C +ATOM 2269 CG2 VAL B 144 2.257 -27.427 19.260 1.00 43.84 B C +ANISOU 2269 CG2 VAL B 144 5839 5202 5615 -464 -258 456 B C +ATOM 2270 H VAL B 144 0.385 -25.801 18.399 1.00 46.54 B H +ATOM 2271 HA VAL B 144 0.501 -27.449 16.401 1.00 44.55 B H +ATOM 2272 HB VAL B 144 2.474 -28.278 17.430 1.00 49.49 B H +ATOM 2273 HG11 VAL B 144 3.696 -26.295 17.294 1.00 53.04 B H +ATOM 2274 HG12 VAL B 144 2.628 -26.336 16.119 1.00 53.04 B H +ATOM 2275 HG13 VAL B 144 2.355 -25.452 17.410 1.00 53.04 B H +ATOM 2276 HG21 VAL B 144 3.205 -27.359 19.456 1.00 52.62 B H +ATOM 2277 HG22 VAL B 144 1.789 -26.658 19.622 1.00 52.62 B H +ATOM 2278 HG23 VAL B 144 1.897 -28.243 19.641 1.00 52.62 B H +ATOM 2279 N ASP B 145 -0.889 -28.658 18.964 1.00 39.27 B N +ANISOU 2279 N ASP B 145 5315 4716 4890 -674 -166 284 B N +ATOM 2280 CA ASP B 145 -1.586 -29.831 19.469 1.00 42.90 B C +ANISOU 2280 CA ASP B 145 5867 5152 5282 -788 -148 264 B C +ATOM 2281 C ASP B 145 -2.652 -30.312 18.492 1.00 48.91 B C +ANISOU 2281 C ASP B 145 6615 5937 6031 -818 -120 198 B C +ATOM 2282 O ASP B 145 -3.101 -31.457 18.598 1.00 44.73 B O +ANISOU 2282 O ASP B 145 6173 5370 5454 -898 -107 188 B O +ATOM 2283 CB ASP B 145 -2.208 -29.545 20.822 1.00 38.00 B C +ANISOU 2283 CB ASP B 145 5256 4570 4611 -901 -126 235 B C +ATOM 2284 CG ASP B 145 -1.161 -29.163 21.880 1.00 50.41 B C +ANISOU 2284 CG ASP B 145 6870 6104 6179 -886 -170 305 B C +ATOM 2285 OD1 ASP B 145 0.003 -29.607 21.762 1.00 47.26 B O +ANISOU 2285 OD1 ASP B 145 6519 5629 5810 -818 -223 382 B O +ATOM 2286 OD2 ASP B 145 -1.493 -28.400 22.816 1.00 47.92 B O +ANISOU 2286 OD2 ASP B 145 6539 5831 5837 -942 -155 281 B O +ATOM 2287 H ASP B 145 -1.038 -27.937 19.409 1.00 47.14 B H +ATOM 2288 HA ASP B 145 -0.943 -30.546 19.597 1.00 51.49 B H +ATOM 2289 HB2 ASP B 145 -2.832 -28.808 20.735 1.00 45.61 B H +ATOM 2290 HB3 ASP B 145 -2.673 -30.338 21.132 1.00 45.61 B H +ATOM 2291 N TYR B 146 -3.064 -29.464 17.544 1.00 43.04 B N +ANISOU 2291 N TYR B 146 5774 5250 5330 -759 -120 153 B N +ATOM 2292 CA TYR B 146 -4.015 -29.868 16.512 1.00 39.94 B C +ANISOU 2292 CA TYR B 146 5372 4872 4932 -779 -117 94 B C +ATOM 2293 C TYR B 146 -3.340 -30.510 15.313 1.00 45.49 B C +ANISOU 2293 C TYR B 146 6151 5496 5637 -696 -132 131 B C +ATOM 2294 O TYR B 146 -4.031 -31.029 14.429 1.00 43.55 B O +ANISOU 2294 O TYR B 146 5933 5241 5373 -717 -140 91 B O +ATOM 2295 CB TYR B 146 -4.826 -28.655 16.024 1.00 41.35 B C +ANISOU 2295 CB TYR B 146 5420 5138 5153 -754 -122 27 B C +ATOM 2296 CG TYR B 146 -5.675 -28.006 17.092 1.00 42.85 B C +ANISOU 2296 CG TYR B 146 5527 5406 5348 -836 -90 -24 B C +ATOM 2297 CD1 TYR B 146 -5.147 -27.036 17.944 1.00 41.86 B C +ANISOU 2297 CD1 TYR B 146 5364 5306 5234 -810 -79 -1 B C +ATOM 2298 CD2 TYR B 146 -7.009 -28.363 17.253 1.00 51.08 B C +ANISOU 2298 CD2 TYR B 146 6530 6489 6388 -944 -64 -97 B C +ATOM 2299 CE1 TYR B 146 -5.914 -26.449 18.918 1.00 42.01 B C +ANISOU 2299 CE1 TYR B 146 5324 5385 5251 -885 -37 -49 B C +ATOM 2300 CE2 TYR B 146 -7.790 -27.778 18.217 1.00 47.11 B C +ANISOU 2300 CE2 TYR B 146 5952 6050 5899 -1018 -15 -146 B C +ATOM 2301 CZ TYR B 146 -7.245 -26.829 19.057 1.00 47.53 B C +ANISOU 2301 CZ TYR B 146 5984 6123 5952 -988 3 -123 B C +ATOM 2302 OH TYR B 146 -8.034 -26.256 20.022 1.00 49.70 B O +ANISOU 2302 OH TYR B 146 6199 6451 6233 -1063 66 -175 B O +ATOM 2303 H TYR B 146 -2.803 -28.646 17.480 1.00 51.66 B H +ATOM 2304 HA TYR B 146 -4.633 -30.508 16.900 1.00 47.94 B H +ATOM 2305 HB2 TYR B 146 -4.210 -27.984 15.691 1.00 49.63 B H +ATOM 2306 HB3 TYR B 146 -5.419 -28.944 15.313 1.00 49.63 B H +ATOM 2307 HD1 TYR B 146 -4.257 -26.783 17.850 1.00 50.24 B H +ATOM 2308 HD2 TYR B 146 -7.379 -29.011 16.698 1.00 61.31 B H +ATOM 2309 HE1 TYR B 146 -5.549 -25.804 19.480 1.00 50.42 B H +ATOM 2310 HE2 TYR B 146 -8.684 -28.019 18.304 1.00 56.55 B H +ATOM 2311 HH TYR B 146 -7.586 -25.703 20.468 1.00 59.65 B H +ATOM 2312 N LEU B 147 -2.018 -30.464 15.240 1.00 40.82 B N +ANISOU 2312 N LEU B 147 5594 4844 5073 -602 -136 205 B N +ATOM 2313 CA LEU B 147 -1.304 -30.962 14.079 1.00 36.52 B C +ANISOU 2313 CA LEU B 147 5118 4217 4540 -511 -131 240 B C +ATOM 2314 C LEU B 147 -0.999 -32.452 14.241 1.00 50.69 B C +ANISOU 2314 C LEU B 147 7044 5919 6295 -549 -122 278 B C +ATOM 2315 O LEU B 147 -1.190 -33.048 15.308 1.00 39.82 B O +ANISOU 2315 O LEU B 147 5707 4537 4884 -638 -127 287 B O +ATOM 2316 CB LEU B 147 -0.019 -30.157 13.883 1.00 39.67 B C +ANISOU 2316 CB LEU B 147 5475 4591 5007 -389 -126 299 B C +ATOM 2317 CG LEU B 147 -0.205 -28.628 13.822 1.00 40.24 B C +ANISOU 2317 CG LEU B 147 5426 4747 5115 -350 -134 269 B C +ATOM 2318 CD1 LEU B 147 1.152 -27.945 13.672 1.00 42.76 B C +ANISOU 2318 CD1 LEU B 147 5712 5030 5505 -238 -125 333 B C +ATOM 2319 CD2 LEU B 147 -1.165 -28.238 12.683 1.00 39.70 B C +ANISOU 2319 CD2 LEU B 147 5338 4717 5030 -340 -139 199 B C +ATOM 2320 H LEU B 147 -1.509 -30.147 15.857 1.00 49.00 B H +ATOM 2321 HA LEU B 147 -1.850 -30.858 13.284 1.00 43.76 B H +ATOM 2322 HB2 LEU B 147 0.577 -30.348 14.625 1.00 47.62 B H +ATOM 2323 HB3 LEU B 147 0.391 -30.434 13.049 1.00 47.62 B H +ATOM 2324 HG LEU B 147 -0.607 -28.315 14.647 1.00 48.30 B H +ATOM 2325 HD11 LEU B 147 1.021 -26.985 13.645 1.00 51.32 B H +ATOM 2326 HD12 LEU B 147 1.710 -28.182 14.429 1.00 51.32 B H +ATOM 2327 HD13 LEU B 147 1.567 -28.246 12.848 1.00 51.32 B H +ATOM 2328 HD21 LEU B 147 -1.161 -27.274 12.582 1.00 47.66 B H +ATOM 2329 HD22 LEU B 147 -0.866 -28.658 11.861 1.00 47.66 B H +ATOM 2330 HD23 LEU B 147 -2.058 -28.544 12.905 1.00 47.66 B H +ATOM 2331 N SER B 148 -0.531 -33.060 13.153 1.00 44.17 B N +ANISOU 2331 N SER B 148 6300 5012 5470 -481 -105 299 B N +ATOM 2332 CA SER B 148 -0.163 -34.457 13.220 1.00 42.30 B C +ANISOU 2332 CA SER B 148 6194 4676 5201 -501 -92 337 B C +ATOM 2333 C SER B 148 1.057 -34.638 14.118 1.00 42.67 B C +ANISOU 2333 C SER B 148 6251 4668 5295 -457 -99 420 B C +ATOM 2334 O SER B 148 1.814 -33.707 14.401 1.00 42.49 B O +ANISOU 2334 O SER B 148 6139 4667 5339 -388 -108 454 B O +ATOM 2335 CB SER B 148 0.151 -35.009 11.836 1.00 47.95 B C +ANISOU 2335 CB SER B 148 7005 5305 5909 -428 -61 343 B C +ATOM 2336 OG SER B 148 1.445 -34.575 11.429 1.00 50.46 B O +ANISOU 2336 OG SER B 148 7303 5569 6301 -296 -29 402 B O +ATOM 2337 H SER B 148 -0.422 -32.689 12.384 1.00 53.01 B H +ATOM 2338 HA SER B 148 -0.908 -34.960 13.585 1.00 50.77 B H +ATOM 2339 HB2 SER B 148 0.132 -35.979 11.866 1.00 57.55 B H +ATOM 2340 HB3 SER B 148 -0.510 -34.684 11.204 1.00 57.55 B H +ATOM 2341 HG SER B 148 1.632 -34.894 10.674 1.00 60.56 B H +ATOM 2342 N THR B 149 1.251 -35.877 14.546 1.00 45.24 B N +ANISOU 2342 N THR B 149 7586 4636 4967 -88 -1342 355 B N +ATOM 2343 CA THR B 149 2.348 -36.206 15.448 1.00 48.31 B C +ANISOU 2343 CA THR B 149 7765 5079 5512 103 -1276 260 B C +ATOM 2344 C THR B 149 3.691 -35.863 14.822 1.00 41.83 B C +ANISOU 2344 C THR B 149 6786 4351 4755 191 -1033 292 B C +ATOM 2345 O THR B 149 4.542 -35.244 15.466 1.00 44.33 B O +ANISOU 2345 O THR B 149 6785 4750 5308 243 -1004 292 B O +ATOM 2346 CB THR B 149 2.250 -37.684 15.821 1.00 44.16 B C +ANISOU 2346 CB THR B 149 7467 4490 4823 252 -1296 146 B C +ATOM 2347 CG2 THR B 149 3.434 -38.132 16.670 1.00 44.81 B C +ANISOU 2347 CG2 THR B 149 7345 4631 5051 461 -1212 61 B C +ATOM 2348 OG1 THR B 149 1.027 -37.899 16.538 1.00 48.62 B O +ANISOU 2348 OG1 THR B 149 8133 4977 5365 167 -1536 121 B O +ATOM 2349 H THR B 149 0.761 -36.550 14.330 1.00 54.30 B H +ATOM 2350 HA THR B 149 2.279 -35.685 16.263 1.00 57.98 B H +ATOM 2351 HB THR B 149 2.263 -38.222 15.014 1.00 53.01 B H +ATOM 2352 HG1 THR B 149 1.125 -38.519 17.095 1.00 58.36 B H +ATOM 2353 HG21 THR B 149 3.243 -38.990 17.080 1.00 53.79 B H +ATOM 2354 HG22 THR B 149 4.226 -38.217 16.116 1.00 53.79 B H +ATOM 2355 HG23 THR B 149 3.607 -37.481 17.368 1.00 53.79 B H +ATOM 2356 N LEU B 150 3.890 -36.232 13.556 1.00 44.76 B N +ANISOU 2356 N LEU B 150 7380 4709 4918 201 -858 327 B N +ATOM 2357 CA LEU B 150 5.180 -35.982 12.920 1.00 52.34 B C +ANISOU 2357 CA LEU B 150 8206 5751 5929 299 -608 361 B C +ATOM 2358 C LEU B 150 5.407 -34.493 12.669 1.00 49.07 B C +ANISOU 2358 C LEU B 150 7523 5415 5706 163 -594 466 B C +ATOM 2359 O LEU B 150 6.534 -34.006 12.818 1.00 44.39 B O +ANISOU 2359 O LEU B 150 6658 4917 5293 244 -468 485 B O +ATOM 2360 CB LEU B 150 5.295 -36.768 11.613 1.00 48.94 B C +ANISOU 2360 CB LEU B 150 8111 5271 5213 338 -414 369 B C +ATOM 2361 CG LEU B 150 5.345 -38.280 11.694 1.00 49.25 B C +ANISOU 2361 CG LEU B 150 8427 5234 5053 500 -356 268 B C +ATOM 2362 CD1 LEU B 150 5.389 -38.889 10.306 1.00 46.92 B C +ANISOU 2362 CD1 LEU B 150 8484 4878 4465 500 -158 289 B C +ATOM 2363 CD2 LEU B 150 6.533 -38.783 12.516 1.00 54.29 B C +ANISOU 2363 CD2 LEU B 150 8851 5928 5849 737 -247 202 B C +ATOM 2364 H LEU B 150 3.308 -36.619 13.056 1.00 53.73 B H +ATOM 2365 HA LEU B 150 5.877 -36.294 13.518 1.00 62.82 B H +ATOM 2366 HB2 LEU B 150 4.525 -36.544 11.066 1.00 58.74 B H +ATOM 2367 HB3 LEU B 150 6.110 -36.485 11.170 1.00 58.74 B H +ATOM 2368 HG LEU B 150 4.538 -38.571 12.147 1.00 59.11 B H +ATOM 2369 HD11 LEU B 150 5.437 -39.854 10.386 1.00 56.32 B H +ATOM 2370 HD12 LEU B 150 4.585 -38.636 9.825 1.00 56.32 B H +ATOM 2371 HD13 LEU B 150 6.172 -38.556 9.840 1.00 56.32 B H +ATOM 2372 HD21 LEU B 150 6.596 -39.746 12.423 1.00 65.16 B H +ATOM 2373 HD22 LEU B 150 7.345 -38.365 12.187 1.00 65.16 B H +ATOM 2374 HD23 LEU B 150 6.395 -38.548 13.447 1.00 65.16 B H +ATOM 2375 N LYS B 151 4.359 -33.747 12.277 1.00 45.58 B N +ANISOU 2375 N LYS B 151 7150 4939 5230 -44 -719 544 B N +ATOM 2376 CA LYS B 151 4.541 -32.316 12.071 1.00 47.43 B C +ANISOU 2376 CA LYS B 151 7131 5240 5650 -174 -705 645 B C +ATOM 2377 C LYS B 151 4.877 -31.617 13.377 1.00 43.89 B C +ANISOU 2377 C LYS B 151 6339 4843 5494 -162 -813 620 B C +ATOM 2378 O LYS B 151 5.792 -30.784 13.432 1.00 42.15 B O +ANISOU 2378 O LYS B 151 5845 4712 5459 -154 -718 660 B O +ATOM 2379 CB LYS B 151 3.294 -31.672 11.443 1.00 44.33 B C +ANISOU 2379 CB LYS B 151 6876 4796 5171 -397 -823 746 B C +ATOM 2380 CG LYS B 151 3.447 -30.152 11.254 1.00 49.11 B C +ANISOU 2380 CG LYS B 151 7218 5465 5976 -532 -807 855 B C +ATOM 2381 CD LYS B 151 2.412 -29.572 10.304 1.00 53.11 B C +ANISOU 2381 CD LYS B 151 7879 5933 6369 -736 -861 979 B C +ATOM 2382 CE LYS B 151 2.688 -29.982 8.870 1.00 60.81 B C +ANISOU 2382 CE LYS B 151 9090 6911 7104 -739 -682 1018 B C +ATOM 2383 NZ LYS B 151 1.891 -29.171 7.910 1.00 76.44 B N +ANISOU 2383 NZ LYS B 151 11150 8879 9015 -950 -714 1161 B N +ATOM 2384 H LYS B 151 3.564 -34.041 12.132 1.00 54.71 B H +ATOM 2385 HA LYS B 151 5.274 -32.200 11.446 1.00 56.93 B H +ATOM 2386 HB2 LYS B 151 3.138 -32.070 10.572 1.00 53.21 B H +ATOM 2387 HB3 LYS B 151 2.532 -31.829 12.021 1.00 53.21 B H +ATOM 2388 HG2 LYS B 151 3.344 -29.715 12.114 1.00 58.94 B H +ATOM 2389 HG3 LYS B 151 4.326 -29.965 10.890 1.00 58.94 B H +ATOM 2390 HD2 LYS B 151 1.532 -29.896 10.550 1.00 63.75 B H +ATOM 2391 HD3 LYS B 151 2.435 -28.604 10.355 1.00 63.75 B H +ATOM 2392 HE2 LYS B 151 3.629 -29.849 8.674 1.00 72.99 B H +ATOM 2393 HE3 LYS B 151 2.453 -30.915 8.751 1.00 72.99 B H +ATOM 2394 HZ1 LYS B 151 1.022 -29.260 8.083 1.00 91.74 B H +ATOM 2395 HZ2 LYS B 151 2.112 -28.312 7.979 1.00 91.74 B H +ATOM 2396 HZ3 LYS B 151 2.048 -29.443 7.077 1.00 91.74 B H +ATOM 2397 N ARG B 152 4.166 -31.962 14.457 1.00 42.53 B N +ANISOU 2397 N ARG B 152 6184 4612 5362 -165 -1012 554 B N +ATOM 2398 CA ARG B 152 4.471 -31.362 15.751 1.00 42.27 B C +ANISOU 2398 CA ARG B 152 5853 4616 5591 -159 -1118 522 B C +ATOM 2399 C ARG B 152 5.894 -31.683 16.199 1.00 41.34 B C +ANISOU 2399 C ARG B 152 5530 4588 5589 19 -990 470 B C +ATOM 2400 O ARG B 152 6.564 -30.847 16.809 1.00 40.61 B O +ANISOU 2400 O ARG B 152 5139 4568 5722 -1 -993 490 B O +ATOM 2401 CB ARG B 152 3.480 -31.846 16.812 1.00 45.49 B C +ANISOU 2401 CB ARG B 152 6349 4937 5997 -173 -1339 452 B C +ATOM 2402 CG ARG B 152 3.749 -31.220 18.204 1.00 45.42 B C +ANISOU 2402 CG ARG B 152 6053 4953 6251 -182 -1455 415 B C +ATOM 2403 CD ARG B 152 2.587 -31.466 19.167 1.00 50.98 B C +ANISOU 2403 CD ARG B 152 6850 5558 6962 -234 -1677 368 B C +ATOM 2404 NE ARG B 152 2.229 -32.882 19.187 1.00 43.66 B N +ANISOU 2404 NE ARG B 152 6181 4575 5834 -119 -1714 285 B N +ATOM 2405 CZ ARG B 152 1.201 -33.414 18.548 1.00 48.38 B C +ANISOU 2405 CZ ARG B 152 7067 5094 6221 -175 -1767 308 B C +ATOM 2406 NH1 ARG B 152 0.337 -32.668 17.884 1.00 50.73 B N +ANISOU 2406 NH1 ARG B 152 7430 5359 6485 -347 -1808 420 B N +ATOM 2407 NH2 ARG B 152 1.040 -34.731 18.570 1.00 50.32 B N +ANISOU 2407 NH2 ARG B 152 7541 5294 6283 -60 -1780 225 B N +ATOM 2408 H ARG B 152 3.518 -32.528 14.463 1.00 51.04 B H +ATOM 2409 HA ARG B 152 4.385 -30.400 15.661 1.00 50.73 B H +ATOM 2410 HB2 ARG B 152 2.581 -31.602 16.541 1.00 54.59 B H +ATOM 2411 HB3 ARG B 152 3.552 -32.810 16.896 1.00 54.59 B H +ATOM 2412 HG2 ARG B 152 4.549 -31.615 18.584 1.00 54.51 B H +ATOM 2413 HG3 ARG B 152 3.866 -30.262 18.107 1.00 54.51 B H +ATOM 2414 HD2 ARG B 152 2.846 -31.200 20.063 1.00 61.19 B H +ATOM 2415 HD3 ARG B 152 1.814 -30.956 18.880 1.00 61.19 B H +ATOM 2416 HE ARG B 152 2.724 -33.410 19.651 1.00 52.41 B H +ATOM 2417 HH11 ARG B 152 0.435 -31.814 17.861 1.00 60.89 B H +ATOM 2418 HH12 ARG B 152 -0.324 -33.035 17.476 1.00 60.89 B H +ATOM 2419 HH21 ARG B 152 1.600 -35.225 18.996 1.00 60.39 B H +ATOM 2420 HH22 ARG B 152 0.376 -35.090 18.158 1.00 60.39 B H +ATOM 2421 N ASP B 153 6.376 -32.892 15.916 1.00 45.48 B N +ANISOU 2421 N ASP B 153 6211 5107 5962 191 -874 410 B N +ATOM 2422 CA ASP B 153 7.699 -33.257 16.421 1.00 43.75 B C +ANISOU 2422 CA ASP B 153 5785 4973 5864 370 -759 374 B C +ATOM 2423 C ASP B 153 8.801 -32.544 15.653 1.00 40.35 B C +ANISOU 2423 C ASP B 153 5166 4644 5520 384 -550 464 B C +ATOM 2424 O ASP B 153 9.849 -32.213 16.220 1.00 42.52 B O +ANISOU 2424 O ASP B 153 5149 5014 5992 452 -502 478 B O +ATOM 2425 CB ASP B 153 7.899 -34.772 16.344 1.00 40.16 B C +ANISOU 2425 CB ASP B 153 5555 4476 5228 562 -678 293 B C +ATOM 2426 CG ASP B 153 9.072 -35.245 17.184 1.00 45.53 B C +ANISOU 2426 CG ASP B 153 6012 5232 6056 750 -615 254 B C +ATOM 2427 OD1 ASP B 153 9.198 -34.775 18.338 1.00 46.79 B O +ANISOU 2427 OD1 ASP B 153 5927 5431 6421 717 -762 236 B O +ATOM 2428 OD2 ASP B 153 9.854 -36.106 16.713 1.00 47.68 B O +ANISOU 2428 OD2 ASP B 153 6359 5520 6237 927 -420 246 B O +ATOM 2429 H ASP B 153 5.974 -33.496 15.454 1.00 54.59 B H +ATOM 2430 HA ASP B 153 7.754 -32.991 17.353 1.00 52.51 B H +ATOM 2431 HB2 ASP B 153 7.099 -35.215 16.668 1.00 48.20 B H +ATOM 2432 HB3 ASP B 153 8.067 -35.024 15.423 1.00 48.20 B H +ATOM 2433 N ARG B 154 8.596 -32.334 14.354 1.00 41.20 B N +ANISOU 2433 N ARG B 154 5442 4734 5477 318 -426 529 B N +ATOM 2434 CA ARG B 154 9.544 -31.547 13.574 1.00 43.80 B C +ANISOU 2434 CA ARG B 154 5597 5156 5890 310 -235 622 B C +ATOM 2435 C ARG B 154 9.622 -30.121 14.106 1.00 43.19 B C +ANISOU 2435 C ARG B 154 5210 5140 6059 160 -333 681 B C +ATOM 2436 O ARG B 154 10.707 -29.542 14.197 1.00 46.56 B O +ANISOU 2436 O ARG B 154 5362 5670 6657 195 -230 729 B O +ATOM 2437 CB ARG B 154 9.139 -31.557 12.101 1.00 54.16 B C +ANISOU 2437 CB ARG B 154 7176 6423 6979 240 -108 679 B C +ATOM 2438 CG ARG B 154 10.299 -31.740 11.128 1.00 72.50 B C +ANISOU 2438 CG ARG B 154 9486 8806 9256 363 177 726 B C +ATOM 2439 CD ARG B 154 9.866 -32.285 9.749 1.00 82.00 B C +ANISOU 2439 CD ARG B 154 11061 9932 10165 341 310 745 B C +ATOM 2440 NE ARG B 154 8.517 -31.897 9.345 1.00101.44 B N +ANISOU 2440 NE ARG B 154 13721 12320 12501 130 149 774 B N +ATOM 2441 CZ ARG B 154 7.540 -32.753 9.055 1.00 78.81 B C +ANISOU 2441 CZ ARG B 154 11205 9349 9392 95 72 732 B C +ATOM 2442 NH1 ARG B 154 7.720 -34.061 9.130 1.00 75.18 B N +ANISOU 2442 NH1 ARG B 154 10955 8834 8775 255 141 647 B N +ATOM 2443 NH2 ARG B 154 6.358 -32.284 8.668 1.00 66.72 B N +ANISOU 2443 NH2 ARG B 154 9815 7766 7771 -109 -76 787 B N +ATOM 2444 H ARG B 154 7.925 -32.633 13.906 1.00 49.45 B H +ATOM 2445 HA ARG B 154 10.427 -31.943 13.641 1.00 52.57 B H +ATOM 2446 HB2 ARG B 154 8.518 -32.288 11.956 1.00 65.00 B H +ATOM 2447 HB3 ARG B 154 8.712 -30.712 11.892 1.00 65.00 B H +ATOM 2448 HG2 ARG B 154 10.727 -30.881 10.986 1.00 87.02 B H +ATOM 2449 HG3 ARG B 154 10.933 -32.367 11.509 1.00 87.02 B H +ATOM 2450 HD2 ARG B 154 10.480 -31.951 9.076 1.00 98.42 B H +ATOM 2451 HD3 ARG B 154 9.897 -33.254 9.774 1.00 98.42 B H +ATOM 2452 HE ARG B 154 8.341 -31.057 9.291 1.00121.74 B H +ATOM 2453 HH11 ARG B 154 8.482 -34.377 9.371 1.00 90.22 B H +ATOM 2454 HH12 ARG B 154 7.074 -34.595 8.937 1.00 90.22 B H +ATOM 2455 HH21 ARG B 154 6.230 -31.436 8.608 1.00 80.08 B H +ATOM 2456 HH22 ARG B 154 5.721 -32.829 8.478 1.00 80.08 B H +ATOM 2457 N ILE B 155 8.474 -29.531 14.457 1.00 39.91 B N +ANISOU 2457 N ILE B 155 4839 4661 5665 -11 -529 686 B N +ATOM 2458 CA ILE B 155 8.479 -28.192 15.040 1.00 41.12 B C +ANISOU 2458 CA ILE B 155 4721 4853 6049 -156 -622 736 B C +ATOM 2459 C ILE B 155 9.205 -28.209 16.376 1.00 43.96 B C +ANISOU 2459 C ILE B 155 4825 5268 6611 -81 -695 681 B C +ATOM 2460 O ILE B 155 10.025 -27.324 16.674 1.00 43.00 B O +ANISOU 2460 O ILE B 155 4420 5233 6684 -120 -659 729 B O +ATOM 2461 CB ILE B 155 7.035 -27.663 15.181 1.00 40.68 B C +ANISOU 2461 CB ILE B 155 4788 4701 5969 -338 -807 757 B C +ATOM 2462 CG1 ILE B 155 6.414 -27.459 13.799 1.00 47.44 B C +ANISOU 2462 CG1 ILE B 155 5854 5523 6647 -438 -733 842 B C +ATOM 2463 CG2 ILE B 155 7.005 -26.374 15.991 1.00 42.93 B C +ANISOU 2463 CG2 ILE B 155 4809 5004 6497 -473 -909 793 B C +ATOM 2464 CD1 ILE B 155 4.948 -27.013 13.834 1.00 47.71 B C +ANISOU 2464 CD1 ILE B 155 6020 5463 6646 -613 -908 888 B C +ATOM 2465 H ILE B 155 7.693 -29.880 14.368 1.00 47.84 B H +ATOM 2466 HA ILE B 155 8.957 -27.593 14.445 1.00 49.36 B H +ATOM 2467 HB ILE B 155 6.510 -28.324 15.660 1.00 48.83 B H +ATOM 2468 HG12 ILE B 155 6.919 -26.777 13.329 1.00 56.94 B H +ATOM 2469 HG13 ILE B 155 6.456 -28.297 13.312 1.00 56.94 B H +ATOM 2470 HG21 ILE B 155 6.116 -25.989 15.939 1.00 51.52 B H +ATOM 2471 HG22 ILE B 155 7.225 -26.576 16.914 1.00 51.52 B H +ATOM 2472 HG23 ILE B 155 7.656 -25.756 15.623 1.00 51.52 B H +ATOM 2473 HD11 ILE B 155 4.555 -27.150 12.958 1.00 57.27 B H +ATOM 2474 HD12 ILE B 155 4.473 -27.541 14.495 1.00 57.27 B H +ATOM 2475 HD13 ILE B 155 4.909 -26.074 14.072 1.00 57.27 B H +ATOM 2476 N ARG B 156 8.939 -29.230 17.199 1.00 44.61 B N +ANISOU 2476 N ARG B 156 5004 5301 6644 21 -801 583 B N +ATOM 2477 CA ARG B 156 9.561 -29.275 18.523 1.00 40.46 B C +ANISOU 2477 CA ARG B 156 4246 4824 6303 79 -890 532 B C +ATOM 2478 C ARG B 156 11.070 -29.379 18.406 1.00 48.45 B C +ANISOU 2478 C ARG B 156 5036 5961 7410 213 -716 570 B C +ATOM 2479 O ARG B 156 11.815 -28.662 19.085 1.00 48.43 B O +ANISOU 2479 O ARG B 156 4744 6042 7616 173 -741 602 B O +ATOM 2480 CB ARG B 156 9.000 -30.440 19.345 1.00 45.34 B C +ANISOU 2480 CB ARG B 156 5028 5366 6834 176 -1023 422 B C +ATOM 2481 CG ARG B 156 9.680 -30.616 20.723 1.00 48.21 B C +ANISOU 2481 CG ARG B 156 5164 5781 7373 247 -1116 368 B C +ATOM 2482 CD ARG B 156 8.879 -31.545 21.664 1.00 53.52 B C +ANISOU 2482 CD ARG B 156 5996 6362 7979 297 -1292 259 B C +ATOM 2483 NE ARG B 156 8.353 -32.672 20.933 1.00 44.34 B N +ANISOU 2483 NE ARG B 156 5145 5129 6575 397 -1236 219 B N +ATOM 2484 CZ ARG B 156 7.071 -32.937 20.731 1.00 47.66 B C +ANISOU 2484 CZ ARG B 156 5827 5437 6843 323 -1344 191 B C +ATOM 2485 NH1 ARG B 156 6.111 -32.330 21.412 1.00 52.17 B N +ANISOU 2485 NH1 ARG B 156 6392 5943 7489 177 -1532 183 B N +ATOM 2486 NH2 ARG B 156 6.742 -33.837 19.818 1.00 43.79 B N +ANISOU 2486 NH2 ARG B 156 5618 4898 6121 393 -1257 178 B N +ATOM 2487 H ARG B 156 8.417 -29.889 17.019 1.00 53.54 B H +ATOM 2488 HA ARG B 156 9.345 -28.455 18.994 1.00 48.56 B H +ATOM 2489 HB2 ARG B 156 8.054 -30.286 19.498 1.00 54.42 B H +ATOM 2490 HB3 ARG B 156 9.125 -31.262 18.845 1.00 54.42 B H +ATOM 2491 HG2 ARG B 156 10.560 -31.003 20.596 1.00 57.86 B H +ATOM 2492 HG3 ARG B 156 9.758 -29.749 21.152 1.00 57.86 B H +ATOM 2493 HD2 ARG B 156 9.461 -31.877 22.366 1.00 64.24 B H +ATOM 2494 HD3 ARG B 156 8.138 -31.055 22.052 1.00 64.24 B H +ATOM 2495 HE ARG B 156 8.924 -33.221 20.597 1.00 53.23 B H +ATOM 2496 HH11 ARG B 156 6.312 -31.742 22.007 1.00 62.62 B H +ATOM 2497 HH12 ARG B 156 5.287 -32.523 21.260 1.00 62.62 B H +ATOM 2498 HH21 ARG B 156 7.356 -34.238 19.369 1.00 52.55 B H +ATOM 2499 HH22 ARG B 156 5.914 -34.021 19.675 1.00 52.55 B H +ATOM 2500 N LYS B 157 11.545 -30.273 17.542 1.00 43.87 B N +ANISOU 2500 N LYS B 157 4594 5395 6681 369 -531 575 B N +ATOM 2501 CA LYS B 157 12.983 -30.455 17.411 1.00 48.73 B C +ANISOU 2501 CA LYS B 157 5002 6126 7389 517 -348 624 B C +ATOM 2502 C LYS B 157 13.645 -29.209 16.845 1.00 48.95 B C +ANISOU 2502 C LYS B 157 4804 6244 7549 414 -243 736 B C +ATOM 2503 O LYS B 157 14.759 -28.850 17.248 1.00 48.44 B O +ANISOU 2503 O LYS B 157 4446 6293 7667 454 -189 790 B O +ATOM 2504 CB LYS B 157 13.268 -31.673 16.540 1.00 50.89 B C +ANISOU 2504 CB LYS B 157 5505 6371 7458 706 -152 609 B C +ATOM 2505 CG LYS B 157 13.513 -32.969 17.324 1.00 53.65 B C +ANISOU 2505 CG LYS B 157 5905 6704 7777 895 -176 528 B C +ATOM 2506 CD LYS B 157 12.379 -33.292 18.298 1.00 54.24 B C +ANISOU 2506 CD LYS B 157 6107 6684 7817 829 -431 424 B C +ATOM 2507 CE LYS B 157 12.550 -34.718 18.865 1.00 60.33 B C +ANISOU 2507 CE LYS B 157 6988 7424 8511 1029 -429 341 B C +ATOM 2508 NZ LYS B 157 11.458 -35.121 19.813 1.00 54.71 B N +ANISOU 2508 NZ LYS B 157 6412 6619 7758 977 -671 237 B N +ATOM 2509 H LYS B 157 11.066 -30.774 17.033 1.00 52.66 B H +ATOM 2510 HA LYS B 157 13.368 -30.617 18.287 1.00 58.49 B H +ATOM 2511 HB2 LYS B 157 12.507 -31.822 15.957 1.00 61.07 B H +ATOM 2512 HB3 LYS B 157 14.062 -31.496 16.010 1.00 61.07 B H +ATOM 2513 HG2 LYS B 157 13.592 -33.707 16.700 1.00 64.40 B H +ATOM 2514 HG3 LYS B 157 14.332 -32.879 17.836 1.00 64.40 B H +ATOM 2515 HD2 LYS B 157 12.392 -32.662 19.035 1.00 65.10 B H +ATOM 2516 HD3 LYS B 157 11.528 -33.243 17.835 1.00 65.10 B H +ATOM 2517 HE2 LYS B 157 12.552 -35.351 18.130 1.00 72.41 B H +ATOM 2518 HE3 LYS B 157 13.392 -34.766 19.345 1.00 72.41 B H +ATOM 2519 HZ1 LYS B 157 11.600 -35.949 20.107 1.00 65.67 B H +ATOM 2520 HZ2 LYS B 157 11.439 -34.566 20.509 1.00 65.67 B H +ATOM 2521 HZ3 LYS B 157 10.670 -35.092 19.400 1.00 65.67 B H +ATOM 2522 N LYS B 158 12.978 -28.529 15.909 1.00 45.61 B N +ANISOU 2522 N LYS B 158 4510 5778 7041 276 -215 779 B N +ATOM 2523 CA LYS B 158 13.566 -27.307 15.367 1.00 50.53 B C +ANISOU 2523 CA LYS B 158 4923 6484 7791 171 -119 884 B C +ATOM 2524 C LYS B 158 13.682 -26.236 16.440 1.00 48.10 B C +ANISOU 2524 C LYS B 158 4336 6220 7718 30 -276 899 B C +ATOM 2525 O LYS B 158 14.706 -25.567 16.554 1.00 49.86 B O +ANISOU 2525 O LYS B 158 4283 6553 8109 17 -206 970 B O +ATOM 2526 CB LYS B 158 12.741 -26.808 14.193 1.00 51.50 B C +ANISOU 2526 CB LYS B 158 5249 6546 7771 42 -74 929 B C +ATOM 2527 CG LYS B 158 13.055 -27.516 12.892 1.00 55.64 B C +ANISOU 2527 CG LYS B 158 5979 7065 8098 158 151 954 B C +ATOM 2528 CD LYS B 158 11.921 -27.318 11.901 1.00 69.75 B C +ANISOU 2528 CD LYS B 158 8047 8762 9694 23 134 975 B C +ATOM 2529 CE LYS B 158 12.428 -27.017 10.509 1.00 69.08 B C +ANISOU 2529 CE LYS B 158 8011 8714 9524 22 361 1062 B C +ATOM 2530 NZ LYS B 158 11.277 -26.862 9.571 1.00 90.60 B N +ANISOU 2530 NZ LYS B 158 11019 11351 12054 -123 326 1089 B N +ATOM 2531 H LYS B 158 12.213 -28.747 15.584 1.00 54.74 B H +ATOM 2532 HA LYS B 158 14.458 -27.503 15.039 1.00 60.64 B H +ATOM 2533 HB2 LYS B 158 11.801 -26.948 14.389 1.00 61.81 B H +ATOM 2534 HB3 LYS B 158 12.916 -25.862 14.067 1.00 61.81 B H +ATOM 2535 HG2 LYS B 158 13.868 -27.151 12.510 1.00 66.78 B H +ATOM 2536 HG3 LYS B 158 13.162 -28.466 13.055 1.00 66.78 B H +ATOM 2537 HD2 LYS B 158 11.389 -28.128 11.860 1.00 83.72 B H +ATOM 2538 HD3 LYS B 158 11.371 -26.573 12.190 1.00 83.72 B H +ATOM 2539 HE2 LYS B 158 12.936 -26.191 10.517 1.00 82.91 B H +ATOM 2540 HE3 LYS B 158 12.986 -27.747 10.199 1.00 82.91 B H +ATOM 2541 HZ1 LYS B 158 11.528 -26.394 8.857 1.00108.73 B H +ATOM 2542 HZ2 LYS B 158 10.991 -27.662 9.306 1.00108.73 B H +ATOM 2543 HZ3 LYS B 158 10.610 -26.435 9.976 1.00108.73 B H +ATOM 2544 N LEU B 159 12.646 -26.062 17.250 1.00 52.60 B N +ANISOU 2544 N LEU B 159 4981 6703 8303 -81 -487 837 B N +ATOM 2545 CA LEU B 159 12.709 -25.037 18.289 1.00 54.62 B C +ANISOU 2545 CA LEU B 159 5003 6980 8770 -225 -631 846 B C +ATOM 2546 C LEU B 159 13.686 -25.431 19.389 1.00 53.87 B C +ANISOU 2546 C LEU B 159 4688 6967 8814 -128 -674 818 B C +ATOM 2547 O LEU B 159 14.438 -24.586 19.882 1.00 53.42 B O +ANISOU 2547 O LEU B 159 4362 6994 8942 -209 -688 871 B O +ATOM 2548 CB LEU B 159 11.317 -24.778 18.857 1.00 46.87 B C +ANISOU 2548 CB LEU B 159 4174 5871 7763 -360 -829 792 B C +ATOM 2549 CG LEU B 159 10.480 -23.845 17.982 1.00 48.56 B C +ANISOU 2549 CG LEU B 159 4488 6030 7934 -521 -810 863 B C +ATOM 2550 CD1 LEU B 159 9.032 -23.885 18.427 1.00 46.75 B C +ANISOU 2550 CD1 LEU B 159 4452 5665 7645 -614 -988 819 B C +ATOM 2551 CD2 LEU B 159 11.044 -22.425 18.024 1.00 48.82 B C +ANISOU 2551 CD2 LEU B 159 4263 6129 8157 -664 -775 945 B C +ATOM 2552 H LEU B 159 11.912 -26.511 17.223 1.00 63.14 B H +ATOM 2553 HA LEU B 159 13.023 -24.207 17.897 1.00 65.55 B H +ATOM 2554 HB2 LEU B 159 10.846 -25.623 18.931 1.00 56.26 B H +ATOM 2555 HB3 LEU B 159 11.406 -24.370 19.732 1.00 56.26 B H +ATOM 2556 HG LEU B 159 10.515 -24.139 17.058 1.00 58.29 B H +ATOM 2557 HD11 LEU B 159 8.511 -23.296 17.859 1.00 56.11 B H +ATOM 2558 HD12 LEU B 159 8.704 -24.795 18.351 1.00 56.11 B H +ATOM 2559 HD13 LEU B 159 8.977 -23.590 19.349 1.00 56.11 B H +ATOM 2560 HD21 LEU B 159 10.419 -21.825 17.588 1.00 58.59 B H +ATOM 2561 HD22 LEU B 159 11.166 -22.161 18.949 1.00 58.59 B H +ATOM 2562 HD23 LEU B 159 11.896 -22.410 17.560 1.00 58.59 B H +ATOM 2563 N GLU B 160 13.706 -26.710 19.776 1.00 54.92 B N +ANISOU 2563 N GLU B 160 4931 7078 8858 38 -694 744 B N +ATOM 2564 CA GLU B 160 14.685 -27.147 20.771 1.00 53.99 B C +ANISOU 2564 CA GLU B 160 4597 7045 8870 140 -726 733 B C +ATOM 2565 C GLU B 160 16.101 -26.831 20.318 1.00 60.46 B C +ANISOU 2565 C GLU B 160 5159 8010 9802 202 -546 844 B C +ATOM 2566 O GLU B 160 16.948 -26.429 21.131 1.00 62.29 B O +ANISOU 2566 O GLU B 160 5113 8337 10216 171 -598 886 B O +ATOM 2567 CB GLU B 160 14.536 -28.645 21.046 1.00 55.73 B C +ANISOU 2567 CB GLU B 160 4992 7222 8960 333 -736 648 B C +ATOM 2568 CG GLU B 160 13.385 -28.959 21.980 1.00 64.43 B C +ANISOU 2568 CG GLU B 160 6254 8207 10018 274 -958 538 B C +ATOM 2569 CD GLU B 160 13.163 -30.453 22.190 1.00 70.10 B C +ANISOU 2569 CD GLU B 160 7169 8873 10591 461 -967 451 B C +ATOM 2570 OE1 GLU B 160 13.699 -31.265 21.404 1.00 65.58 B O +ANISOU 2570 OE1 GLU B 160 6678 8329 9912 629 -783 471 B O +ATOM 2571 OE2 GLU B 160 12.437 -30.809 23.145 1.00 62.75 B O +ANISOU 2571 OE2 GLU B 160 6322 7867 9653 437 -1152 362 B O +ATOM 2572 H GLU B 160 13.179 -27.325 19.487 1.00 65.91 B H +ATOM 2573 HA GLU B 160 14.515 -26.675 21.601 1.00 64.79 B H +ATOM 2574 HB2 GLU B 160 14.377 -29.105 20.207 1.00 66.88 B H +ATOM 2575 HB3 GLU B 160 15.353 -28.973 21.455 1.00 66.88 B H +ATOM 2576 HG2 GLU B 160 13.567 -28.561 22.846 1.00 77.32 B H +ATOM 2577 HG3 GLU B 160 12.570 -28.587 21.609 1.00 77.32 B H +ATOM 2578 N LYS B 161 16.378 -26.997 19.023 1.00 59.41 B N +ANISOU 2578 N LYS B 161 5116 7896 9562 283 -335 900 B N +ATOM 2579 CA LYS B 161 17.705 -26.666 18.512 1.00 68.02 B C +ANISOU 2579 CA LYS B 161 5964 9121 10759 344 -147 1018 B C +ATOM 2580 C LYS B 161 17.967 -25.167 18.599 1.00 71.34 B C +ANISOU 2580 C LYS B 161 6153 9604 11350 140 -189 1095 B C +ATOM 2581 O LYS B 161 19.037 -24.736 19.048 1.00 65.44 B O +ANISOU 2581 O LYS B 161 5107 8977 10779 130 -173 1173 B O +ATOM 2582 CB LYS B 161 17.849 -27.148 17.073 1.00 60.55 B C +ANISOU 2582 CB LYS B 161 5199 8162 9645 466 94 1055 B C +ATOM 2583 CG LYS B 161 19.226 -26.904 16.489 1.00 69.39 B C +ANISOU 2583 CG LYS B 161 6083 9414 10869 554 311 1182 B C +ATOM 2584 CD LYS B 161 19.336 -27.478 15.086 1.00 82.67 B C +ANISOU 2584 CD LYS B 161 7979 11065 12367 684 562 1210 B C +ATOM 2585 CE LYS B 161 20.714 -27.242 14.489 1.00 98.44 B C +ANISOU 2585 CE LYS B 161 9740 13190 14473 783 794 1345 B C +ATOM 2586 NZ LYS B 161 20.812 -27.774 13.099 1.00104.85 B N +ANISOU 2586 NZ LYS B 161 10782 13959 15099 904 1053 1370 B N +ATOM 2587 H LYS B 161 15.827 -27.293 18.434 1.00 71.31 B H +ATOM 2588 HA LYS B 161 18.368 -27.124 19.051 1.00 81.63 B H +ATOM 2589 HB2 LYS B 161 17.679 -28.103 17.044 1.00 72.67 B H +ATOM 2590 HB3 LYS B 161 17.204 -26.680 16.520 1.00 72.67 B H +ATOM 2591 HG2 LYS B 161 19.393 -25.950 16.444 1.00 83.28 B H +ATOM 2592 HG3 LYS B 161 19.893 -27.332 17.048 1.00 83.28 B H +ATOM 2593 HD2 LYS B 161 19.177 -28.434 15.117 1.00 99.22 B H +ATOM 2594 HD3 LYS B 161 18.679 -27.051 14.513 1.00 99.22 B H +ATOM 2595 HE2 LYS B 161 20.893 -26.289 14.463 1.00118.14 B H +ATOM 2596 HE3 LYS B 161 21.380 -27.690 15.034 1.00118.14 B H +ATOM 2597 HZ1 LYS B 161 21.624 -27.618 12.770 1.00125.84 B H +ATOM 2598 HZ2 LYS B 161 20.664 -28.652 13.098 1.00125.84 B H +ATOM 2599 HZ3 LYS B 161 20.208 -27.379 12.578 1.00125.84 B H +ATOM 2600 N GLN B 162 17.005 -24.352 18.160 1.00 64.17 B N +ANISOU 2600 N GLN B 162 5377 8615 10391 -28 -240 1084 B N +ATOM 2601 CA GLN B 162 17.173 -22.907 18.282 1.00 69.23 B C +ANISOU 2601 CA GLN B 162 5817 9299 11190 -229 -281 1152 B C +ATOM 2602 C GLN B 162 17.450 -22.512 19.723 1.00 67.14 B C +ANISOU 2602 C GLN B 162 5343 9066 11103 -323 -465 1132 B C +ATOM 2603 O GLN B 162 18.294 -21.649 19.987 1.00 67.02 B O +ANISOU 2603 O GLN B 162 5063 9149 11253 -416 -456 1212 B O +ATOM 2604 CB GLN B 162 15.929 -22.183 17.766 1.00 66.24 B C +ANISOU 2604 CB GLN B 162 5632 8808 10729 -392 -334 1136 B C +ATOM 2605 CG GLN B 162 15.787 -22.228 16.263 1.00 72.33 B C +ANISOU 2605 CG GLN B 162 6562 9568 11351 -355 -149 1187 B C +ATOM 2606 CD GLN B 162 14.463 -21.670 15.794 1.00 89.99 B C +ANISOU 2606 CD GLN B 162 9008 11690 13494 -507 -220 1178 B C +ATOM 2607 NE2 GLN B 162 14.060 -20.542 16.371 1.00 88.29 B N +ANISOU 2607 NE2 GLN B 162 8685 11448 13412 -694 -342 1194 B N +ATOM 2608 OE1 GLN B 162 13.805 -22.246 14.923 1.00 84.63 B O +ANISOU 2608 OE1 GLN B 162 8588 10944 12622 -462 -162 1164 B O +ATOM 2609 H GLN B 162 16.266 -24.604 17.799 1.00 77.02 B H +ATOM 2610 HA GLN B 162 17.927 -22.634 17.736 1.00 83.09 B H +ATOM 2611 HB2 GLN B 162 15.142 -22.599 18.152 1.00 79.50 B H +ATOM 2612 HB3 GLN B 162 15.976 -21.252 18.033 1.00 79.50 B H +ATOM 2613 HG2 GLN B 162 16.496 -21.702 15.861 1.00 86.80 B H +ATOM 2614 HG3 GLN B 162 15.849 -23.150 15.966 1.00 86.80 B H +ATOM 2615 HE21 GLN B 162 14.547 -20.171 16.976 1.00105.96 B H +ATOM 2616 HE22 GLN B 162 13.314 -20.183 16.140 1.00105.96 B H +ATOM 2617 N HIS B 163 16.755 -23.143 20.672 1.00 62.78 B N +ANISOU 2617 N HIS B 163 4911 8429 10513 -306 -634 1027 B N +ATOM 2618 CA HIS B 163 16.924 -22.776 22.073 1.00 67.30 B C +ANISOU 2618 CA HIS B 163 5317 9016 11238 -410 -819 1000 B C +ATOM 2619 C HIS B 163 18.299 -23.181 22.594 1.00 71.66 B C +ANISOU 2619 C HIS B 163 5618 9710 11899 -305 -782 1054 B C +ATOM 2620 O HIS B 163 18.907 -22.445 23.378 1.00 78.23 B O +ANISOU 2620 O HIS B 163 6423 10584 12717 -406 -817 1027 B O +ATOM 2621 CB HIS B 163 15.820 -23.407 22.910 1.00 59.30 B C +ANISOU 2621 CB HIS B 163 4513 7873 10146 -407 -998 875 B C +ATOM 2622 CG HIS B 163 14.455 -22.892 22.577 1.00 56.48 B C +ANISOU 2622 CG HIS B 163 4380 7377 9704 -534 -1057 837 B C +ATOM 2623 CD2 HIS B 163 14.064 -21.755 21.955 1.00 55.98 B C +ANISOU 2623 CD2 HIS B 163 4320 7284 9664 -690 -1016 896 B C +ATOM 2624 ND1 HIS B 163 13.305 -23.573 22.892 1.00 51.74 B N +ANISOU 2624 ND1 HIS B 163 4026 6649 8983 -506 -1171 741 B N +ATOM 2625 CE1 HIS B 163 12.258 -22.883 22.473 1.00 54.16 B C +ANISOU 2625 CE1 HIS B 163 4475 6856 9247 -638 -1197 751 B C +ATOM 2626 NE2 HIS B 163 12.693 -21.770 21.909 1.00 54.86 B N +ANISOU 2626 NE2 HIS B 163 4420 7001 9424 -751 -1104 843 B N +ATOM 2627 H HIS B 163 16.189 -23.775 20.531 1.00 75.35 B H +ATOM 2628 HA HIS B 163 16.851 -21.812 22.155 1.00 80.77 B H +ATOM 2629 HB2 HIS B 163 15.822 -24.365 22.759 1.00 71.18 B H +ATOM 2630 HB3 HIS B 163 15.990 -23.218 23.846 1.00 71.18 B H +ATOM 2631 HD2 HIS B 163 14.620 -21.089 21.621 1.00 67.18 B H +ATOM 2632 HE1 HIS B 163 11.368 -23.137 22.559 1.00 65.00 B H +ATOM 2633 HE2 HIS B 163 12.198 -21.155 21.569 1.00 65.85 B H +ATOM 2634 N ARG B 164 18.803 -24.344 22.178 1.00 79.04 B N +ANISOU 2634 N ARG B 164 6577 10691 12765 -80 -659 1066 B N +ATOM 2635 CA ARG B 164 20.141 -24.756 22.597 1.00 81.93 B C +ANISOU 2635 CA ARG B 164 6678 11199 13252 34 -606 1147 B C +ATOM 2636 C ARG B 164 21.177 -23.712 22.203 1.00 88.68 B C +ANISOU 2636 C ARG B 164 7310 12175 14211 -55 -498 1266 B C +ATOM 2637 O ARG B 164 22.120 -23.443 22.959 1.00 97.74 B O +ANISOU 2637 O ARG B 164 8363 13402 15373 -91 -530 1269 B O +ATOM 2638 CB ARG B 164 20.491 -26.117 21.997 1.00 78.61 B C +ANISOU 2638 CB ARG B 164 6364 10791 12713 302 -439 1148 B C +ATOM 2639 CG ARG B 164 19.950 -27.302 22.791 1.00 84.05 B C +ANISOU 2639 CG ARG B 164 7215 11403 13317 417 -558 1033 B C +ATOM 2640 CD ARG B 164 20.240 -28.645 22.107 1.00 85.92 B C +ANISOU 2640 CD ARG B 164 7592 11634 13418 681 -370 1032 B C +ATOM 2641 NE ARG B 164 19.024 -29.243 21.571 1.00 88.09 B N +ANISOU 2641 NE ARG B 164 8237 11760 13473 716 -372 918 B N +ATOM 2642 CZ ARG B 164 18.844 -29.607 20.308 1.00 87.26 B C +ANISOU 2642 CZ ARG B 164 8340 11609 13204 806 -180 927 B C +ATOM 2643 NH1 ARG B 164 19.829 -29.559 19.426 1.00 79.28 B N +ANISOU 2643 NH1 ARG B 164 7218 10687 12219 905 53 1037 B N +ATOM 2644 NH2 ARG B 164 17.645 -30.031 19.920 1.00 97.33 B N +ANISOU 2644 NH2 ARG B 164 9949 12748 14284 791 -222 828 B N +ATOM 2645 H ARG B 164 18.399 -24.901 21.662 1.00 94.86 B H +ATOM 2646 HA ARG B 164 20.153 -24.850 23.562 1.00 98.33 B H +ATOM 2647 HB2 ARG B 164 20.119 -26.167 21.102 1.00 94.34 B H +ATOM 2648 HB3 ARG B 164 21.456 -26.202 21.960 1.00 94.34 B H +ATOM 2649 HG2 ARG B 164 20.366 -27.313 23.667 1.00100.87 B H +ATOM 2650 HG3 ARG B 164 18.988 -27.211 22.881 1.00100.87 B H +ATOM 2651 HD2 ARG B 164 20.861 -28.505 21.375 1.00103.11 B H +ATOM 2652 HD3 ARG B 164 20.623 -29.258 22.754 1.00103.11 B H +ATOM 2653 HE ARG B 164 18.371 -29.369 22.117 1.00105.72 B H +ATOM 2654 HH11 ARG B 164 19.690 -29.800 18.613 1.00 95.15 B H +ATOM 2655 HH12 ARG B 164 20.608 -29.287 19.667 1.00 95.15 B H +ATOM 2656 HH21 ARG B 164 16.997 -30.066 20.485 1.00116.81 B H +ATOM 2657 HH22 ARG B 164 17.516 -30.269 19.104 1.00116.81 B H +ATOM 2658 N GLN B 165 21.013 -23.105 21.025 1.00 88.56 B N +ANISOU 2658 N GLN B 165 7307 12156 14185 -97 -360 1331 B N +ATOM 2659 CA GLN B 165 21.891 -22.013 20.626 1.00 84.99 B C +ANISOU 2659 CA GLN B 165 6687 11801 13806 -200 -266 1426 B C +ATOM 2660 C GLN B 165 21.628 -20.753 21.441 1.00 92.14 B C +ANISOU 2660 C GLN B 165 7699 12648 14661 -435 -418 1333 B C +ATOM 2661 O GLN B 165 22.559 -19.987 21.714 1.00 93.65 B O +ANISOU 2661 O GLN B 165 7788 12917 14877 -510 -403 1363 B O +ATOM 2662 CB GLN B 165 21.712 -21.735 19.138 1.00 84.08 B C +ANISOU 2662 CB GLN B 165 6616 11681 13649 -177 -69 1500 B C +ATOM 2663 CG GLN B 165 22.113 -20.333 18.728 1.00 96.10 B C +ANISOU 2663 CG GLN B 165 8019 13254 15242 -351 -24 1572 B C +ATOM 2664 CD GLN B 165 22.423 -20.227 17.254 1.00103.14 B C +ANISOU 2664 CD GLN B 165 8893 14190 16106 -278 218 1675 B C +ATOM 2665 NE2 GLN B 165 22.673 -19.007 16.790 1.00107.39 B N +ANISOU 2665 NE2 GLN B 165 9345 14763 16697 -429 262 1736 B N +ATOM 2666 OE1 GLN B 165 22.443 -21.227 16.536 1.00104.17 B O +ANISOU 2666 OE1 GLN B 165 9180 14298 16100 -85 366 1662 B O +ATOM 2667 H GLN B 165 20.408 -23.306 20.448 1.00106.28 B H +ATOM 2668 HA GLN B 165 22.813 -22.272 20.778 1.00102.00 B H +ATOM 2669 HB2 GLN B 165 22.259 -22.359 18.636 1.00100.91 B H +ATOM 2670 HB3 GLN B 165 20.777 -21.855 18.908 1.00100.91 B H +ATOM 2671 HG2 GLN B 165 21.385 -19.724 18.927 1.00115.34 B H +ATOM 2672 HG3 GLN B 165 22.907 -20.073 19.221 1.00115.34 B H +ATOM 2673 HE21 GLN B 165 22.653 -18.332 17.322 1.00128.88 B H +ATOM 2674 HE22 GLN B 165 22.855 -18.893 15.957 1.00128.88 B H +ATOM 2675 N GLN B 166 20.375 -20.520 21.836 1.00 92.72 B N +ANISOU 2675 N GLN B 166 7988 12584 14658 -540 -551 1226 B N +ATOM 2676 CA GLN B 166 20.042 -19.365 22.665 1.00102.43 B C +ANISOU 2676 CA GLN B 166 9352 13747 15820 -728 -661 1136 B C +ATOM 2677 C GLN B 166 20.691 -19.436 24.044 1.00104.57 B C +ANISOU 2677 C GLN B 166 9602 14057 16073 -744 -764 1075 B C +ATOM 2678 O GLN B 166 20.888 -18.390 24.675 1.00 98.42 B O +ANISOU 2678 O GLN B 166 8863 13270 15262 -883 -805 1037 B O +ATOM 2679 CB GLN B 166 18.515 -19.259 22.789 1.00107.66 B C +ANISOU 2679 CB GLN B 166 10264 14247 16394 -799 -756 1044 B C +ATOM 2680 CG GLN B 166 17.999 -18.102 23.630 1.00130.02 B C +ANISOU 2680 CG GLN B 166 13268 16992 19140 -958 -833 954 B C +ATOM 2681 CD GLN B 166 16.530 -18.270 24.012 1.00133.41 B C +ANISOU 2681 CD GLN B 166 13951 17266 19473 -983 -927 862 B C +ATOM 2682 NE2 GLN B 166 16.124 -17.631 25.105 1.00147.92 B N +ANISOU 2682 NE2 GLN B 166 15941 19032 21228 -1063 -994 774 B N +ATOM 2683 OE1 GLN B 166 15.777 -18.975 23.339 1.00113.08 B O +ANISOU 2683 OE1 GLN B 166 11434 14636 16897 -925 -933 877 B O +ATOM 2684 H GLN B 166 19.701 -21.015 21.637 1.00111.28 B H +ATOM 2685 HA GLN B 166 20.368 -18.556 22.241 1.00122.93 B H +ATOM 2686 HB2 GLN B 166 18.144 -19.156 21.899 1.00129.20 B H +ATOM 2687 HB3 GLN B 166 18.186 -20.077 23.193 1.00129.20 B H +ATOM 2688 HG2 GLN B 166 18.518 -18.046 24.448 1.00156.03 B H +ATOM 2689 HG3 GLN B 166 18.087 -17.278 23.125 1.00156.03 B H +ATOM 2690 HE21 GLN B 166 16.680 -17.154 25.555 1.00177.51 B H +ATOM 2691 HE22 GLN B 166 15.305 -17.694 25.361 1.00177.51 B H +ATOM 2692 N ALA B 167 21.033 -20.635 24.517 1.00100.95 B N +ANISOU 2692 N ALA B 167 9084 13641 15632 -603 -798 1069 B N +ATOM 2693 CA ALA B 167 21.682 -20.800 25.813 1.00101.58 B C +ANISOU 2693 CA ALA B 167 9137 13766 15694 -616 -892 1023 B C +ATOM 2694 C ALA B 167 23.128 -21.276 25.663 1.00112.62 B C +ANISOU 2694 C ALA B 167 10285 15320 17185 -503 -808 1134 B C +ATOM 2695 O ALA B 167 23.823 -21.501 26.659 1.00113.58 B O +ANISOU 2695 O ALA B 167 10349 15499 17308 -503 -876 1121 B O +ATOM 2696 CB ALA B 167 20.898 -21.783 26.676 1.00 89.20 B C +ANISOU 2696 CB ALA B 167 7725 12114 14052 -551 -1012 918 B C +ATOM 2697 OXT ALA B 167 23.636 -21.457 24.552 1.00 98.64 B O +ANISOU 2697 OXT ALA B 167 8369 13621 15488 -404 -658 1247 B O +ATOM 2698 H ALA B 167 20.898 -21.375 24.100 1.00121.15 B H +ATOM 2699 HA ALA B 167 21.696 -19.939 26.260 1.00121.91 B H +ATOM 2700 HB1 ALA B 167 21.344 -21.877 27.532 1.00107.05 B H +ATOM 2701 HB2 ALA B 167 20.000 -21.441 26.807 1.00107.05 B H +ATOM 2702 HB3 ALA B 167 20.863 -22.641 26.225 1.00107.05 B H +TER +HETATM 2703 N1 BB2 C 1 -1.265 -15.249 20.712 1.00 52.65 C N +HETATM 2704 O2 BB2 C 1 -1.439 -16.224 21.656 1.00 44.51 C O +HETATM 2705 C3 BB2 C 1 -0.203 -15.293 19.897 1.00 35.51 C C +HETATM 2706 O4 BB2 C 1 0.618 -16.163 19.932 1.00 42.73 C O +HETATM 2707 C5 BB2 C 1 -0.119 -14.198 18.869 1.00 38.46 C C +HETATM 2708 C6 BB2 C 1 -0.968 -14.634 17.657 1.00 38.22 C C +HETATM 2709 C7 BB2 C 1 -2.420 -14.232 17.950 1.00 48.22 C C +HETATM 2710 C8 BB2 C 1 -3.501 -15.242 17.680 1.00 53.59 C C +HETATM 2711 C9 BB2 C 1 -3.362 -15.877 16.338 1.00 48.25 C C +HETATM 2712 C10 BB2 C 1 -4.688 -16.446 15.800 1.00 44.39 C C +HETATM 2713 C11 BB2 C 1 -4.806 -16.067 14.327 1.00 39.44 C C +HETATM 2714 C12 BB2 C 1 -0.512 -13.850 16.444 1.00 37.34 C C +HETATM 2715 O13 BB2 C 1 -0.592 -12.652 16.470 1.00 37.00 C O +HETATM 2716 N14 BB2 C 1 -0.036 -14.556 15.420 1.00 41.38 C N +HETATM 2717 C15 BB2 C 1 0.422 -13.955 14.174 1.00 40.88 C C +HETATM 2718 C16 BB2 C 1 1.910 -14.064 13.881 1.00 42.06 C C +HETATM 2719 C17 BB2 C 1 2.235 -13.444 12.508 1.00 41.46 C C +HETATM 2720 C18 BB2 C 1 2.753 -13.471 14.971 1.00 40.73 C C +HETATM 2721 C19 BB2 C 1 -0.470 -14.694 13.155 1.00 36.57 C C +HETATM 2722 O20 BB2 C 1 -0.312 -15.897 13.036 1.00 37.34 C O +HETATM 2723 N21 BB2 C 1 -1.383 -14.020 12.454 1.00 37.41 C N +HETATM 2724 C22 BB2 C 1 -2.251 -14.727 11.502 1.00 41.37 C C +HETATM 2725 C23 BB2 C 1 -1.663 -12.589 12.538 1.00 42.52 C C +HETATM 2726 C24 BB2 C 1 -2.795 -12.345 11.545 1.00 43.86 C C +HETATM 2727 C25 BB2 C 1 -3.391 -13.728 11.296 1.00 42.38 C C +HETATM 2728 C26 BB2 C 1 -1.538 -15.069 10.202 1.00 42.27 C C +HETATM 2729 O27 BB2 C 1 -2.423 -15.847 9.402 1.00 38.51 C O +HETATM 2730 HN1 BB2 C 1 -1.867 -14.635 20.685 1.00 63.19 C H +HETATM 2731 HO2 BB2 C 1 -1.221 -15.876 22.400 1.00 53.43 C H +HETATM 2732 H6 BB2 C 1 -0.875 -15.585 17.489 1.00 45.88 C H +HETATM 2733 H14 BB2 C 1 0.008 -15.412 15.485 1.00 49.67 C H +HETATM 2734 H15 BB2 C 1 0.318 -12.992 14.210 1.00 49.07 C H +HETATM 2735 H16 BB2 C 1 2.116 -15.011 13.827 1.00 50.48 C H +HETATM 2736 H22 BB2 C 1 -2.546 -15.557 11.907 1.00 49.66 C H +HETATM 2737 H27 BB2 C 1 -2.074 -15.936 8.632 1.00 46.23 C H +HETATM 2738 H51 BB2 C 1 -0.440 -13.371 19.261 1.00 46.16 C H +HETATM 2739 H52 BB2 C 1 0.811 -14.056 18.633 1.00 46.16 C H +HETATM 2740 H71 BB2 C 1 -2.614 -13.432 17.437 1.00 57.87 C H +HETATM 2741 H72 BB2 C 1 -2.470 -13.972 18.884 1.00 57.87 C H +HETATM 2742 H81 BB2 C 1 -4.369 -14.815 17.748 1.00 64.32 C H +HETATM 2743 H82 BB2 C 1 -3.484 -15.927 18.367 1.00 64.32 C H +HETATM 2744 H91 BB2 C 1 -2.702 -16.587 16.385 1.00 57.91 C H +HETATM 2745 H92 BB2 C 1 -3.011 -15.227 15.709 1.00 57.91 C H +HETATM 2746 H101 BB2 C 1 -5.437 -16.098 16.307 1.00 53.28 C H +HETATM 2747 H102 BB2 C 1 -4.713 -17.410 15.911 1.00 53.28 C H +HETATM 2748 H111 BB2 C 1 -4.069 -16.421 13.805 1.00 47.34 C H +HETATM 2749 H112 BB2 C 1 -4.807 -15.104 14.204 1.00 47.34 C H +HETATM 2750 H113 BB2 C 1 -5.625 -16.407 13.934 1.00 47.34 C H +HETATM 2751 H171 BB2 C 1 3.191 -13.376 12.359 1.00 49.76 C H +HETATM 2752 H172 BB2 C 1 1.871 -13.970 11.779 1.00 49.76 C H +HETATM 2753 H173 BB2 C 1 1.871 -12.549 12.421 1.00 49.76 C H +HETATM 2754 H181 BB2 C 1 2.421 -12.588 15.195 1.00 48.89 C H +HETATM 2755 H182 BB2 C 1 2.715 -14.039 15.756 1.00 48.89 C H +HETATM 2756 H183 BB2 C 1 3.673 -13.402 14.669 1.00 48.89 C H +HETATM 2757 H231 BB2 C 1 -1.927 -12.346 13.440 1.00 51.03 C H +HETATM 2758 H232 BB2 C 1 -0.875 -12.074 12.308 1.00 51.03 C H +HETATM 2759 H241 BB2 C 1 -2.450 -11.951 10.729 1.00 52.64 C H +HETATM 2760 H242 BB2 C 1 -3.450 -11.735 11.922 1.00 52.64 C H +HETATM 2761 H251 BB2 C 1 -3.745 -13.804 10.396 1.00 50.86 C H +HETATM 2762 H252 BB2 C 1 -4.117 -13.917 11.911 1.00 50.86 C H +HETATM 2763 H261 BB2 C 1 -0.723 -15.549 10.416 1.00 50.74 C H +HETATM 2764 H262 BB2 C 1 -1.283 -14.241 9.764 1.00 50.74 C H +CONECT 2703 2704 2705 2730 +CONECT 2704 2703 2731 +CONECT 2705 2703 2706 2707 +CONECT 2706 2705 +CONECT 2707 2705 2708 2738 2739 +CONECT 2708 2707 2709 2714 2732 +CONECT 2709 2708 2710 2740 2741 +CONECT 2710 2709 2711 2742 2743 +CONECT 2711 2710 2712 2744 2745 +CONECT 2712 2711 2713 2746 2747 +CONECT 2713 2712 2748 2749 2750 +CONECT 2714 2708 2715 2716 +CONECT 2715 2714 +CONECT 2716 2714 2717 2733 +CONECT 2717 2716 2718 2721 2734 +CONECT 2718 2717 2719 2720 2735 +CONECT 2719 2718 2751 2752 2753 +CONECT 2720 2718 2754 2755 2756 +CONECT 2721 2717 2722 2723 +CONECT 2722 2721 +CONECT 2723 2721 2724 2725 +CONECT 2724 2723 2727 2728 2736 +CONECT 2725 2723 2726 2757 2758 +CONECT 2726 2725 2727 2759 2760 +CONECT 2727 2724 2726 2761 2762 +CONECT 2728 2724 2729 2763 2764 +CONECT 2729 2728 2737 +CONECT 2730 2703 +CONECT 2731 2704 +CONECT 2732 2708 +CONECT 2733 2716 +CONECT 2734 2717 +CONECT 2735 2718 +CONECT 2736 2724 +CONECT 2737 2729 +CONECT 2738 2707 +CONECT 2739 2707 +CONECT 2740 2709 +CONECT 2741 2709 +CONECT 2742 2710 +CONECT 2743 2710 +CONECT 2744 2711 +CONECT 2745 2711 +CONECT 2746 2712 +CONECT 2747 2712 +CONECT 2748 2713 +CONECT 2749 2713 +CONECT 2750 2713 +CONECT 2751 2719 +CONECT 2752 2719 +CONECT 2753 2719 +CONECT 2754 2720 +CONECT 2755 2720 +CONECT 2756 2720 +CONECT 2757 2725 +CONECT 2758 2725 +CONECT 2759 2726 +CONECT 2760 2726 +CONECT 2761 2727 +CONECT 2762 2727 +CONECT 2763 2728 +CONECT 2764 2728 +END diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_denoised_model_0.cif.gz b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_denoised_model_0.cif.gz new file mode 100644 index 00000000..f81fbc43 Binary files /dev/null and b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_denoised_model_0.cif.gz differ diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_model_0.cif.gz b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_model_0.cif.gz new file mode 100644 index 00000000..165f372e Binary files /dev/null and b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_model_0.cif.gz differ diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_model_0.json b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_model_0.json new file mode 100644 index 00000000..bbca41fa --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_model_0.json @@ -0,0 +1,177 @@ +{ + "diffused_index_map": { + "B1": "B1", + "B2": "B2", + "B3": "B3", + "B4": "B4", + "B5": "B5", + "B6": "B6", + "B7": "B7", + "B8": "B8", + "B9": "B9", + "B10": "B10", + "B11": "B11", + "B12": "B12", + "B13": "B13", + "B14": "B14", + "B15": "B15", + "B16": "B16", + "B17": "B17", + "B18": "B18", + "B19": "B19", + "B20": "B20", + "B21": "B21", + "B22": "B22", + "B23": "B23", + "B24": "B24", + "B25": "B25", + "B26": "B26", + "B27": "B27", + "B28": "B28", + "B29": "B29", + "B30": "B30", + "B31": "B31", + "B32": "B32", + "B33": "B33", + "B34": "B34", + "B35": "B35", + "B36": "B36", + "B37": "B37", + "B38": "B38", + "B39": "B39", + "B40": "B40", + "B41": "B41", + "B42": "B42", + "B43": "B43", + "B44": "B44", + "B45": "B45", + "B46": "B46", + "B47": "B47", + "B48": "B48", + "B49": "B49", + "B50": "B50", + "B51": "B51", + "B52": "B52", + "B53": "B53", + "B54": "B54", + "B55": "B55", + "B56": "B56", + "B57": "B57", + "B58": "B58", + "B59": "B59", + "B60": "B60", + "B61": "B61", + "B62": "B62", + "B63": "B63", + "B64": "B64", + "B65": "B65", + "B66": "B66", + "B67": "B67", + "B68": "B68", + "B69": "B69", + "B70": "B70", + "B71": "B71", + "B72": "B72", + "B73": "B73", + "B74": "B74", + "B75": "B75", + "B76": "B76", + "B77": "B77", + "B78": "B78", + "B79": "B79", + "B80": "B80", + "B81": "B81", + "B82": "B82", + "B83": "B83", + "B84": "B84", + "B85": "B85", + "B86": "B86", + "B87": "B87", + "B88": "B88", + "B89": "B89", + "B90": "B90", + "B91": "B91", + "B92": "B92", + "B93": "B93", + "B94": "B94", + "B95": "B95", + "B96": "B96", + "B97": "B97", + "B98": "B98", + "B99": "B99", + "B100": "B100", + "B101": "B101", + "B102": "B102", + "B103": "B103", + "B104": "B104", + "B105": "B105", + "B106": "B106", + "B107": "B107", + "B108": "B108", + "B109": "B109", + "B110": "B110", + "B111": "B111", + "B112": "B112", + "B113": "B113", + "B114": "B114" + }, + "metrics": { + "max_ca_deviation": 0.19858264923095703, + "n_chainbreaks": 0, + "n_clashing.interresidue_clashes_w_sidechain": 0, + "n_clashing.interresidue_clashes_w_backbone": 0, + "non_loop_fraction": 0.8831168831168831, + "loop_fraction": 0.11688311688311688, + "helix_fraction": 0.8831168831168831, + "sheet_fraction": 0.0, + "num_ss_elements": 4, + "radius_of_gyration": 11.868546294918284, + "alanine_content": 0.193717277486911, + "glycine_content": 0.03664921465968586, + "num_residues": 191, + "diffused_com": [ + -4.186574935913086, + -2.1039905548095703, + 0.023583553731441498 + ], + "fixed_com": [ + 2.102656602859497, + -21.99247932434082, + 1.4615976810455322 + ] + }, + "specification": { + "input": "/home/rclune/rfd3_tests/binder_design_tutorial/PLD1/pdl1_cropped.pdb", + "contig": "55-88,/0,B1-114", + "length": "169-202", + "extra": { + "example": "test", + "task_name": "pdl1_test", + "sampled_contig": "77,/0,B1,B2,B3,B4,B5,B6,B7,B8,B9,B10,B11,B12,B13,B14,B15,B16,B17,B18,B19,B20,B21,B22,B23,B24,B25,B26,B27,B28,B29,B30,B31,B32,B33,B34,B35,B36,B37,B38,B39,B40,B41,B42,B43,B44,B45,B46,B47,B48,B49,B50,B51,B52,B53,B54,B55,B56,B57,B58,B59,B60,B61,B62,B63,B64,B65,B66,B67,B68,B69,B70,B71,B72,B73,B74,B75,B76,B77,B78,B79,B80,B81,B82,B83,B84,B85,B86,B87,B88,B89,B90,B91,B92,B93,B94,B95,B96,B97,B98,B99,B100,B101,B102,B103,B104,B105,B106,B107,B108,B109,B110,B111,B112,B113,B114", + "num_tokens_in": 191, + "num_residues_in": 191, + "num_chains": 2, + "num_atoms": 1297, + "num_residues": 116, + "example_id": "pdl1_test_0" + }, + "select_fixed_atoms": true, + "select_unfixed_sequence": false, + "select_hbond_donor": { + "B39": "OH", + "B52": "ND1,NE2" + }, + "select_hotspots": { + "B37": "CB,CD1,CG1", + "B39": "CD1,CD2,CE1,CE2,CG,CZ,OH", + "B51": "CG1,CG2,CB", + "B52": "CE1,CD2,ND1,NE2,CB,CG", + "B98": "CB,CE,CG,SD", + "B100": "OG,CB" + }, + "infer_ori_strategy": "hotspots", + "is_non_loopy": true + }, + "ckpt_path": "/home/rclune/foundry_weights/rfd3_latest.ckpt", + "seed": null +} \ No newline at end of file diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_noisy_model_0.cif.gz b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_noisy_model_0.cif.gz new file mode 100644 index 00000000..2f230c81 Binary files /dev/null and b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/example_outputs/pdl1_test_0_noisy_model_0.cif.gz differ diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.json b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.json new file mode 100644 index 00000000..37dcd53c --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.json @@ -0,0 +1,19 @@ +{ + "test": { + "input": "./pdl1_cropped.pdb", + "contig": "55-88,/0,B1-114", + "redesign_motif_sidechains": false, + "infer_ori_strategy": "hotspots", + "is_non_loopy": true, + "select_hotspots": + {"B37": "CB,CD1,CG1", + "B39": "CD1,CD2,CE1,CE2,CG,CZ,OH", + "B51": "CG1,CG2,CB", + "B52": "CE1,CD2,ND1,NE2,CB,CG", + "B98": "CB,CE,CG,SD", + "B100": "OG,CB"}, + "select_hbond_donor": + {"B39": "OH", + "B52": "ND1,NE2"} + } +} diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.sh b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.sh new file mode 100644 index 00000000..e3f00b2d --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.sh @@ -0,0 +1,18 @@ +#!/bin/bash +#SBATCH --partition= +#SBATCH --nodes=1 +#SBATCH --ntasks=1 +#SBATCH --cpus-per-task=6 +#SBATCH --gres=gpu:1 +#SBATCH --mem 32gb +#SBATCH --time 00:59:00 +#SBATCH --job-name="rfd3" + +# Run RFdiffusion3 +rfd3 design \ + out_dir="./pdl1_binder_outputs" \ + inputs="./pdl1.yaml" \ + n_batches=1 \ + diffusion_batch_size=8 \ + dump_trajectories=1 # OPTIONAL, FOR VISUALIZATION PURPOSES + diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.yaml b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.yaml new file mode 100644 index 00000000..806d720e --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1.yaml @@ -0,0 +1,16 @@ +test: + input: ./pdl1_cropped.pdb + contig: 55-88,/0,B1-114 + redesign_motif_sidechains: false + infer_ori_strategy: hotspots + is_non_loopy: true + select_hotspots: + {"B37": "CB,CD1,CG1", + "B39": "CD1,CD2,CE1,CE2,CG,CZ,OH", + "B51": "CG1,CG2,CB", + "B52": "CE1,CD2,ND1,NE2,CB,CG", + "B98": "CB,CE,CG,SD", + "B100": "OG,CB"} + select_hbond_donor: + {"B39": "OH", + "B52": "ND1,NE2"} diff --git a/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1_cropped.pdb b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1_cropped.pdb new file mode 100644 index 00000000..4df9c8b7 --- /dev/null +++ b/models/rfd3/docs/tutorials/binder_design_tutorial_files/PDL1/pdl1_cropped.pdb @@ -0,0 +1,1832 @@ +CRYST1 149.512 149.512 149.512 90.00 90.00 90.00 I 21 3 24 +ATOM 1 N MET B 1 -53.783 -3.172 16.983 1.00110.40 B N +ATOM 2 CA MET B 1 -52.618 -2.714 17.791 1.00106.61 B C +ATOM 3 C MET B 1 -51.307 -3.137 17.109 1.00106.47 B C +ATOM 4 O MET B 1 -51.289 -4.144 16.358 1.00104.73 B O +ATOM 5 CB MET B 1 -52.671 -3.303 19.207 1.00111.14 B C +ATOM 6 HA MET B 1 -52.653 -1.732 17.861 1.00106.61 B H +ATOM 7 HB2 MET B 1 -52.711 -2.566 19.852 1.00111.14 B H +ATOM 8 HB3 MET B 1 -53.469 -3.863 19.283 0.00111.14 B H +ATOM 9 H1 MET B 1 -54.298 -3.732 17.483 1.00110.40 B H +ATOM 10 H2 MET B 1 -53.469 -3.636 16.204 1.00110.40 B H +ATOM 11 H3 MET B 1 -54.305 -2.412 16.714 1.00110.40 B H +ATOM 12 N PHE B 2 -50.246 -2.366 17.336 1.00 98.70 B N +ATOM 13 CA PHE B 2 -48.847 -2.808 17.135 1.00 94.97 B C +ATOM 14 C PHE B 2 -48.482 -3.683 18.335 1.00 89.76 B C +ATOM 15 O PHE B 2 -48.519 -3.171 19.469 1.00 83.90 B O +ATOM 16 CB PHE B 2 -47.902 -1.617 17.019 1.00 85.28 B C +ATOM 17 CG PHE B 2 -46.455 -1.954 17.262 1.00 80.31 B C +ATOM 18 CD1 PHE B 2 -45.941 -1.977 18.553 1.00 71.81 B C +ATOM 19 CD2 PHE B 2 -45.606 -2.227 16.197 1.00 75.37 B C +ATOM 20 CE1 PHE B 2 -44.603 -2.263 18.776 1.00 74.76 B C +ATOM 21 CE2 PHE B 2 -44.267 -2.510 16.423 1.00 73.96 B C +ATOM 22 CZ PHE B 2 -43.769 -2.521 17.709 1.00 74.44 B C +ATOM 23 H PHE B 2 -50.424 -1.427 17.664 1.00 98.70 B H +ATOM 24 HA PHE B 2 -48.802 -3.346 16.304 1.00 94.97 B H +ATOM 25 HB2 PHE B 2 -47.997 -1.232 16.123 1.00 85.28 B H +ATOM 26 HB3 PHE B 2 -48.185 -0.933 17.661 1.00 85.28 B H +ATOM 27 HD1 PHE B 2 -46.506 -1.779 19.283 1.00 71.81 B H +ATOM 28 HD2 PHE B 2 -45.941 -2.221 15.315 1.00 75.37 B H +ATOM 29 HE1 PHE B 2 -44.267 -2.275 19.658 1.00 74.76 B H +ATOM 30 HE2 PHE B 2 -43.693 -2.687 15.695 1.00 73.96 B H +ATOM 31 HZ PHE B 2 -42.857 -2.716 17.859 1.00 74.44 B H +ATOM 32 N THR B 3 -48.218 -4.968 18.092 1.00 96.07 B N +ATOM 33 CA THR B 3 -47.985 -5.987 19.150 1.00100.42 B C +ATOM 34 C THR B 3 -46.645 -6.674 18.879 1.00 87.19 B C +ATOM 35 O THR B 3 -46.387 -7.083 17.720 1.00 79.40 B O +ATOM 36 CB THR B 3 -49.165 -6.962 19.275 1.00102.32 B C +ATOM 37 CG2 THR B 3 -50.282 -6.444 20.162 1.00104.80 B C +ATOM 38 OG1 THR B 3 -49.633 -7.193 17.947 1.00 94.84 B O +ATOM 39 H THR B 3 -48.178 -5.247 17.122 1.00 96.07 B H +ATOM 40 HA THR B 3 -47.936 -5.519 20.020 1.00100.42 B H +ATOM 41 HB THR B 3 -48.827 -7.810 19.656 1.00102.32 B H +ATOM 42 HG1 THR B 3 -50.282 -7.724 17.966 0.00 94.84 B H +ATOM 43 HG21 THR B 3 -49.933 -6.283 21.073 1.00104.80 B H +ATOM 44 HG22 THR B 3 -51.009 -7.113 20.204 1.00104.80 B H +ATOM 45 HG23 THR B 3 -50.634 -5.598 19.790 1.00104.80 B H +ATOM 46 N VAL B 4 -45.814 -6.726 19.917 1.00 82.84 B N +ATOM 47 CA VAL B 4 -44.554 -7.521 19.957 1.00 83.44 B C +ATOM 48 C VAL B 4 -44.936 -8.978 20.216 1.00 75.09 B C +ATOM 49 O VAL B 4 -45.643 -9.244 21.196 1.00 75.64 B O +ATOM 50 CB VAL B 4 -43.596 -6.999 21.040 1.00 77.94 B C +ATOM 51 CG1 VAL B 4 -42.435 -7.954 21.275 1.00 78.13 B C +ATOM 52 CG2 VAL B 4 -43.091 -5.612 20.682 1.00 80.72 B C +ATOM 53 H VAL B 4 -46.077 -6.179 20.724 1.00 82.84 B H +ATOM 54 HA VAL B 4 -44.121 -7.455 19.087 1.00 83.44 B H +ATOM 55 HB VAL B 4 -44.112 -6.931 21.881 1.00 77.94 B H +ATOM 56 HG11 VAL B 4 -42.778 -8.818 21.561 1.00 78.13 B H +ATOM 57 HG12 VAL B 4 -41.851 -7.592 21.964 1.00 78.13 B H +ATOM 58 HG13 VAL B 4 -41.932 -8.063 20.449 1.00 78.13 B H +ATOM 59 HG21 VAL B 4 -42.618 -5.648 19.833 1.00 80.72 B H +ATOM 60 HG22 VAL B 4 -42.487 -5.297 21.377 1.00 80.72 B H +ATOM 61 HG23 VAL B 4 -43.845 -5.001 20.607 1.00 80.72 B H +ATOM 62 N THR B 5 -44.496 -9.873 19.346 1.00 80.41 B N +ATOM 63 CA THR B 5 -44.711 -11.336 19.472 1.00 90.89 B C +ATOM 64 C THR B 5 -43.426 -12.003 19.990 1.00 90.28 B C +ATOM 65 O THR B 5 -42.300 -11.550 19.655 1.00 81.28 B O +ATOM 66 CB THR B 5 -45.232 -11.885 18.140 1.00 92.96 B C +ATOM 67 CG2 THR B 5 -44.834 -13.316 17.842 1.00105.22 B C +ATOM 68 OG1 THR B 5 -46.647 -11.756 18.271 1.00 85.23 B O +ATOM 69 H THR B 5 -43.983 -9.517 18.552 1.00 80.41 B H +ATOM 70 HA THR B 5 -45.430 -11.484 20.134 1.00 90.89 B H +ATOM 71 HB THR B 5 -44.881 -11.315 17.411 1.00 92.96 B H +ATOM 72 HG1 THR B 5 -47.021 -12.038 17.575 0.00 85.23 B H +ATOM 73 HG21 THR B 5 -43.848 -13.386 17.810 1.00105.22 B H +ATOM 74 HG22 THR B 5 -45.209 -13.589 16.968 1.00105.22 B H +ATOM 75 HG23 THR B 5 -45.183 -13.911 18.550 1.00105.22 B H +ATOM 76 N VAL B 6 -43.595 -13.062 20.772 1.00 85.53 B N +ATOM 77 CA VAL B 6 -42.468 -13.906 21.253 1.00 82.06 B C +ATOM 78 C VAL B 6 -42.786 -15.357 20.890 1.00 80.08 B C +ATOM 79 O VAL B 6 -43.784 -15.927 21.342 1.00 75.63 B O +ATOM 80 CB VAL B 6 -42.260 -13.607 22.749 1.00 80.10 B C +ATOM 81 CG1 VAL B 6 -42.878 -14.619 23.702 1.00 77.15 B C +ATOM 82 CG2 VAL B 6 -40.808 -13.369 23.052 1.00 82.85 B C +ATOM 83 H VAL B 6 -44.538 -13.296 21.047 1.00 85.53 B H +ATOM 84 HA VAL B 6 -41.658 -13.632 20.787 1.00 82.06 B H +ATOM 85 HB VAL B 6 -42.755 -12.776 22.953 1.00 80.10 B H +ATOM 86 HG11 VAL B 6 -43.839 -14.656 23.557 1.00 77.15 B H +ATOM 87 HG12 VAL B 6 -42.698 -14.352 24.620 1.00 77.15 B H +ATOM 88 HG13 VAL B 6 -42.492 -15.497 23.538 1.00 77.15 B H +ATOM 89 HG21 VAL B 6 -40.293 -14.160 22.817 1.00 82.85 B H +ATOM 90 HG22 VAL B 6 -40.700 -13.182 24.001 1.00 82.85 B H +ATOM 91 HG23 VAL B 6 -40.488 -12.610 22.534 1.00 82.85 B H +ATOM 92 N PRO B 7 -42.000 -15.984 19.987 1.00 79.41 B N +ATOM 93 CA PRO B 7 -42.312 -17.337 19.523 1.00 81.42 B C +ATOM 94 C PRO B 7 -42.220 -18.362 20.669 1.00 86.73 B C +ATOM 95 O PRO B 7 -42.955 -19.329 20.649 1.00 84.46 B O +ATOM 96 CB PRO B 7 -41.275 -17.572 18.420 1.00 77.26 B C +ATOM 97 CG PRO B 7 -40.111 -16.699 18.821 1.00 81.09 B C +ATOM 98 CD PRO B 7 -40.751 -15.462 19.415 1.00 81.24 B C +ATOM 99 HA PRO B 7 -43.222 -17.347 19.132 1.00 81.42 B H +ATOM 100 HB2 PRO B 7 -41.017 -18.516 18.376 1.00 77.26 B H +ATOM 101 HB3 PRO B 7 -41.630 -17.316 17.543 1.00 77.26 B H +ATOM 102 HG2 PRO B 7 -39.542 -17.155 19.476 1.00 81.09 B H +ATOM 103 HG3 PRO B 7 -39.559 -16.475 18.043 1.00 81.09 B H +ATOM 104 HD2 PRO B 7 -40.172 -15.062 20.097 1.00 81.24 B H +ATOM 105 HD3 PRO B 7 -40.915 -14.788 18.723 1.00 81.24 B H +ATOM 106 N LYS B 8 -41.359 -18.114 21.662 1.00 82.88 B N +ATOM 107 CA LYS B 8 -41.361 -18.877 22.935 1.00 82.02 B C +ATOM 108 C LYS B 8 -41.030 -17.936 24.086 1.00 72.88 B C +ATOM 109 O LYS B 8 -40.171 -17.051 23.904 1.00 82.64 B O +ATOM 110 CB LYS B 8 -40.414 -20.079 22.876 1.00 90.17 B C +ATOM 111 CG LYS B 8 -39.259 -19.950 21.897 1.00 91.24 B C +ATOM 112 CD LYS B 8 -38.591 -21.274 21.580 1.00 93.87 B C +ATOM 113 CE LYS B 8 -38.031 -21.973 22.803 1.00 96.51 B C +ATOM 114 NZ LYS B 8 -36.634 -22.407 22.575 1.00 92.04 B N +ATOM 115 H LYS B 8 -40.683 -17.375 21.532 1.00 82.88 B H +ATOM 116 HA LYS B 8 -42.263 -19.246 23.076 1.00 82.02 B H +ATOM 117 HB2 LYS B 8 -40.049 -20.232 23.772 1.00 90.17 B H +ATOM 118 HB3 LYS B 8 -40.935 -20.875 22.642 1.00 90.17 B H +ATOM 119 HG2 LYS B 8 -39.597 -19.559 21.063 1.00 91.24 B H +ATOM 120 HG3 LYS B 8 -38.591 -19.342 22.279 1.00 91.24 B H +ATOM 121 HD2 LYS B 8 -39.243 -21.867 21.149 1.00 93.87 B H +ATOM 122 HD3 LYS B 8 -37.861 -21.120 20.943 1.00 93.87 B H +ATOM 123 HE2 LYS B 8 -38.060 -21.367 23.568 1.00 96.51 B H +ATOM 124 HE3 LYS B 8 -38.580 -22.751 23.015 1.00 96.51 B H +ATOM 125 HZ1 LYS B 8 -36.601 -22.980 21.873 1.00 92.04 B H +ATOM 126 HZ2 LYS B 8 -36.316 -22.820 23.317 1.00 92.04 B H +ATOM 127 HZ3 LYS B 8 -36.115 -21.686 22.392 1.00 92.04 B H +ATOM 128 N ASP B 9 -41.709 -18.160 25.206 1.00 63.83 B N +ATOM 129 CA ASP B 9 -41.689 -17.334 26.438 1.00 68.59 B C +ATOM 130 C ASP B 9 -40.891 -18.039 27.533 1.00 62.32 B C +ATOM 131 O ASP B 9 -40.756 -17.462 28.638 1.00 66.70 B O +ATOM 132 CB ASP B 9 -43.123 -17.045 26.910 1.00 82.42 B C +ATOM 133 CG ASP B 9 -43.970 -18.268 27.251 1.00 88.81 B C +ATOM 134 OD1 ASP B 9 -43.565 -19.397 26.898 1.00 94.68 B O +ATOM 135 OD2 ASP B 9 -45.040 -18.078 27.867 1.00 85.53 B O +ATOM 136 H ASP B 9 -42.287 -18.987 25.177 1.00 63.83 B H +ATOM 137 HA ASP B 9 -41.245 -16.477 26.233 1.00 68.59 B H +ATOM 138 HB2 ASP B 9 -43.079 -16.500 27.722 1.00 82.42 B H +ATOM 139 HB3 ASP B 9 -43.594 -16.568 26.197 1.00 82.42 B H +ATOM 140 N LEU B 10 -40.349 -19.218 27.224 1.00 68.33 B N +ATOM 141 CA LEU B 10 -39.530 -20.028 28.163 1.00 69.45 B C +ATOM 142 C LEU B 10 -38.345 -20.650 27.413 1.00 68.98 B C +ATOM 143 O LEU B 10 -38.575 -21.376 26.426 1.00 61.50 B O +ATOM 144 CB LEU B 10 -40.423 -21.105 28.781 1.00 74.11 B C +ATOM 145 CG LEU B 10 -39.741 -22.087 29.732 1.00 82.27 B C +ATOM 146 CD1 LEU B 10 -38.940 -21.361 30.804 1.00 81.06 B C +ATOM 147 CD2 LEU B 10 -40.772 -23.015 30.368 1.00 91.02 B C +ATOM 148 H LEU B 10 -40.516 -19.566 26.291 1.00 68.33 B H +ATOM 149 HA LEU B 10 -39.179 -19.433 28.865 1.00 69.45 B H +ATOM 150 HB2 LEU B 10 -41.145 -20.662 29.270 1.00 74.11 B H +ATOM 151 HB3 LEU B 10 -40.831 -21.620 28.056 1.00 74.11 B H +ATOM 152 HG LEU B 10 -39.112 -22.638 29.204 1.00 82.27 B H +ATOM 153 HD11 LEU B 10 -38.255 -20.814 30.382 1.00 81.06 B H +ATOM 154 HD12 LEU B 10 -38.520 -22.012 31.392 1.00 81.06 B H +ATOM 155 HD13 LEU B 10 -39.534 -20.792 31.323 1.00 81.06 B H +ATOM 156 HD21 LEU B 10 -41.419 -22.487 30.867 1.00 91.02 B H +ATOM 157 HD22 LEU B 10 -40.324 -23.634 30.970 1.00 91.02 B H +ATOM 158 HD23 LEU B 10 -41.231 -23.516 29.671 1.00 91.02 B H +ATOM 159 N TYR B 11 -37.126 -20.324 27.843 1.00 63.80 B N +ATOM 160 CA TYR B 11 -35.859 -20.907 27.340 1.00 62.89 B C +ATOM 161 C TYR B 11 -35.164 -21.616 28.504 1.00 67.07 B C +ATOM 162 O TYR B 11 -34.896 -20.994 29.563 1.00 59.24 B O +ATOM 163 CB TYR B 11 -34.930 -19.857 26.731 1.00 61.12 B C +ATOM 164 CG TYR B 11 -35.412 -19.233 25.440 1.00 66.54 B C +ATOM 165 CD1 TYR B 11 -36.376 -18.239 25.448 1.00 59.78 B C +ATOM 166 CD2 TYR B 11 -34.879 -19.593 24.208 1.00 66.77 B C +ATOM 167 CE1 TYR B 11 -36.814 -17.635 24.279 1.00 62.87 B C +ATOM 168 CE2 TYR B 11 -35.318 -19.010 23.025 1.00 68.40 B C +ATOM 169 CZ TYR B 11 -36.290 -18.022 23.061 1.00 66.66 B C +ATOM 170 OH TYR B 11 -36.729 -17.409 21.927 1.00 70.09 B O +ATOM 171 H TYR B 11 -37.091 -19.622 28.569 1.00 63.80 B H +ATOM 172 HA TYR B 11 -36.074 -21.573 26.638 1.00 62.89 B H +ATOM 173 HB2 TYR B 11 -34.795 -19.144 27.389 1.00 61.12 B H +ATOM 174 HB3 TYR B 11 -34.057 -20.272 26.569 1.00 61.12 B H +ATOM 175 HD1 TYR B 11 -36.734 -17.950 26.271 1.00 59.78 B H +ATOM 176 HD2 TYR B 11 -34.203 -20.249 24.174 1.00 66.77 B H +ATOM 177 HE1 TYR B 11 -37.472 -16.960 24.312 1.00 62.87 B H +ATOM 178 HE2 TYR B 11 -34.953 -19.282 22.199 1.00 68.40 B H +ATOM 179 HH TYR B 11 -37.318 -16.817 22.123 0.00 70.09 B H +ATOM 180 N VAL B 12 -34.899 -22.909 28.316 1.00 68.69 B N +ATOM 181 CA VAL B 12 -33.963 -23.670 29.179 1.00 62.52 B C +ATOM 182 C VAL B 12 -32.626 -23.693 28.456 1.00 56.35 B C +ATOM 183 O VAL B 12 -32.549 -24.233 27.369 1.00 62.03 B O +ATOM 184 CB VAL B 12 -34.479 -25.074 29.519 1.00 69.27 B C +ATOM 185 CG1 VAL B 12 -33.503 -25.791 30.443 1.00 66.06 B C +ATOM 186 CG2 VAL B 12 -35.858 -25.025 30.162 1.00 62.33 B C +ATOM 187 H VAL B 12 -35.359 -23.382 27.552 1.00 68.69 B H +ATOM 188 HA VAL B 12 -33.868 -23.194 30.024 1.00 62.52 B H +ATOM 189 HB VAL B 12 -34.562 -25.570 28.667 1.00 69.27 B H +ATOM 190 HG11 VAL B 12 -32.638 -25.869 30.004 1.00 66.06 B H +ATOM 191 HG12 VAL B 12 -33.844 -26.679 30.650 1.00 66.06 B H +ATOM 192 HG13 VAL B 12 -33.403 -25.283 31.267 1.00 66.06 B H +ATOM 193 HG21 VAL B 12 -35.815 -24.506 30.984 1.00 62.33 B H +ATOM 194 HG22 VAL B 12 -36.155 -25.929 30.364 1.00 62.33 B H +ATOM 195 HG23 VAL B 12 -36.488 -24.607 29.549 1.00 62.33 B H +ATOM 196 N VAL B 13 -31.616 -23.125 29.090 1.00 63.44 B N +ATOM 197 CA VAL B 13 -30.282 -22.824 28.507 1.00 64.24 B C +ATOM 198 C VAL B 13 -29.212 -23.526 29.353 1.00 63.71 B C +ATOM 199 O VAL B 13 -29.346 -23.579 30.584 1.00 66.15 B O +ATOM 200 CB VAL B 13 -30.068 -21.301 28.453 1.00 61.31 B C +ATOM 201 CG1 VAL B 13 -28.622 -20.946 28.205 1.00 68.79 B C +ATOM 202 CG2 VAL B 13 -30.942 -20.683 27.387 1.00 63.23 B C +ATOM 203 H VAL B 13 -31.797 -22.886 30.054 1.00 63.44 B H +ATOM 204 HA VAL B 13 -30.252 -23.186 27.603 1.00 64.24 B H +ATOM 205 HB VAL B 13 -30.344 -20.935 29.329 1.00 61.31 B H +ATOM 206 HG11 VAL B 13 -28.071 -21.306 28.922 1.00 68.79 B H +ATOM 207 HG12 VAL B 13 -28.525 -19.978 28.177 1.00 68.79 B H +ATOM 208 HG13 VAL B 13 -28.336 -21.324 27.356 1.00 68.79 B H +ATOM 209 HG21 VAL B 13 -30.717 -21.065 26.521 1.00 63.23 B H +ATOM 210 HG22 VAL B 13 -30.796 -19.721 27.365 1.00 63.23 B H +ATOM 211 HG23 VAL B 13 -31.877 -20.864 27.588 1.00 63.23 B H +ATOM 212 N GLU B 14 -28.187 -24.047 28.701 1.00 58.73 B N +ATOM 213 CA GLU B 14 -27.097 -24.811 29.347 1.00 61.24 B C +ATOM 214 C GLU B 14 -26.022 -23.813 29.765 1.00 57.45 B C +ATOM 215 O GLU B 14 -25.613 -22.976 28.941 1.00 56.93 B O +ATOM 216 CB GLU B 14 -26.570 -25.887 28.393 1.00 62.77 B C +ATOM 217 CG GLU B 14 -27.627 -26.907 27.993 1.00 71.86 B C +ATOM 218 CD GLU B 14 -28.133 -27.765 29.146 1.00 75.40 B C +ATOM 219 OE1 GLU B 14 -27.289 -28.339 29.856 1.00 80.69 B O +ATOM 220 OE2 GLU B 14 -29.357 -27.858 29.328 1.00 81.84 B O +ATOM 221 H GLU B 14 -28.163 -23.905 27.701 1.00 58.73 B H +ATOM 222 HA GLU B 14 -27.460 -25.260 30.145 1.00 61.24 B H +ATOM 223 HB2 GLU B 14 -26.229 -25.448 27.586 1.00 62.77 B H +ATOM 224 HB3 GLU B 14 -25.826 -26.353 28.829 1.00 62.77 B H +ATOM 225 HG2 GLU B 14 -28.389 -26.435 27.595 1.00 71.86 B H +ATOM 226 HG3 GLU B 14 -27.255 -27.496 27.303 1.00 71.86 B H +ATOM 227 N TYR B 15 -25.578 -23.919 31.011 1.00 55.38 B N +ATOM 228 CA TYR B 15 -24.518 -23.069 31.583 1.00 57.00 B C +ATOM 229 C TYR B 15 -23.366 -23.022 30.581 1.00 62.69 B C +ATOM 230 O TYR B 15 -22.996 -24.067 30.059 1.00 66.81 B O +ATOM 231 CB TYR B 15 -24.121 -23.651 32.938 1.00 62.95 B C +ATOM 232 CG TYR B 15 -23.138 -22.848 33.751 1.00 62.87 B C +ATOM 233 CD1 TYR B 15 -21.773 -23.003 33.580 1.00 69.38 B C +ATOM 234 CD2 TYR B 15 -23.570 -22.015 34.769 1.00 63.58 B C +ATOM 235 CE1 TYR B 15 -20.862 -22.301 34.358 1.00 72.45 B C +ATOM 236 CE2 TYR B 15 -22.680 -21.309 35.559 1.00 68.23 B C +ATOM 237 CZ TYR B 15 -21.320 -21.451 35.349 1.00 77.55 B C +ATOM 238 OH TYR B 15 -20.443 -20.744 36.113 1.00 74.91 B O +ATOM 239 H TYR B 15 -26.004 -24.631 31.588 1.00 55.38 B H +ATOM 240 HA TYR B 15 -24.879 -22.155 31.708 1.00 57.00 B H +ATOM 241 HB2 TYR B 15 -24.932 -23.768 33.475 1.00 62.95 B H +ATOM 242 HB3 TYR B 15 -23.737 -24.541 32.792 1.00 62.95 B H +ATOM 243 HD1 TYR B 15 -21.455 -23.622 32.944 1.00 69.38 B H +ATOM 244 HD2 TYR B 15 -24.495 -21.927 34.927 1.00 63.58 B H +ATOM 245 HE1 TYR B 15 -19.936 -22.420 34.227 1.00 72.45 B H +ATOM 246 HE2 TYR B 15 -22.995 -20.730 36.234 1.00 68.23 B H +ATOM 247 HH TYR B 15 -19.638 -20.919 35.874 0.00 74.91 B H +ATOM 248 N GLY B 16 -22.875 -21.827 30.278 1.00 59.55 B N +ATOM 249 CA GLY B 16 -21.694 -21.613 29.432 1.00 52.22 B C +ATOM 250 C GLY B 16 -22.019 -21.533 27.953 1.00 49.42 B C +ATOM 251 O GLY B 16 -21.116 -21.152 27.205 1.00 59.33 B O +ATOM 252 H GLY B 16 -23.357 -21.027 30.662 1.00 59.55 B H +ATOM 253 HA2 GLY B 16 -21.251 -20.770 29.703 1.00 52.22 B H +ATOM 254 HA3 GLY B 16 -21.055 -22.356 29.574 1.00 52.22 B H +ATOM 255 N SER B 17 -23.249 -21.847 27.547 1.00 47.25 B N +ATOM 256 CA SER B 17 -23.738 -21.761 26.155 1.00 55.01 B C +ATOM 257 C SER B 17 -23.875 -20.299 25.745 1.00 59.80 B C +ATOM 258 O SER B 17 -23.684 -19.391 26.580 1.00 60.38 B O +ATOM 259 CB SER B 17 -25.093 -22.419 26.008 1.00 64.07 B C +ATOM 260 OG SER B 17 -25.013 -23.768 26.394 1.00100.19 B O +ATOM 261 H SER B 17 -23.877 -22.167 28.271 1.00 47.25 B H +ATOM 262 HA SER B 17 -23.066 -22.186 25.567 1.00 55.01 B H +ATOM 263 HB2 SER B 17 -25.750 -21.945 26.575 1.00 64.07 B H +ATOM 264 HB3 SER B 17 -25.387 -22.355 25.066 1.00 64.07 B H +ATOM 265 HG SER B 17 -25.771 -24.116 26.306 0.00100.19 B H +ATOM 266 N ASN B 18 -24.286 -20.106 24.498 1.00 64.29 B N +ATOM 267 CA ASN B 18 -24.791 -18.817 23.990 1.00 63.08 B C +ATOM 268 C ASN B 18 -26.277 -19.008 23.800 1.00 65.52 B C +ATOM 269 O ASN B 18 -26.671 -20.110 23.391 1.00 66.03 B O +ATOM 270 CB ASN B 18 -24.077 -18.404 22.707 1.00 70.65 B C +ATOM 271 CG ASN B 18 -22.575 -18.409 22.889 1.00 73.46 B C +ATOM 272 ND2 ASN B 18 -21.858 -18.900 21.894 1.00 74.16 B N +ATOM 273 OD1 ASN B 18 -22.071 -18.009 23.939 1.00 80.28 B O +ATOM 274 H ASN B 18 -24.244 -20.899 23.874 1.00 64.29 B H +ATOM 275 HA ASN B 18 -24.616 -18.123 24.668 1.00 63.08 B H +ATOM 276 HB2 ASN B 18 -24.329 -19.022 21.991 1.00 70.65 B H +ATOM 277 HB3 ASN B 18 -24.379 -17.509 22.450 1.00 70.65 B H +ATOM 278 HD21 ASN B 18 -20.976 -18.924 21.954 1.00 74.16 B H +ATOM 279 HD22 ASN B 18 -22.259 -19.205 21.168 1.00 74.16 B H +ATOM 280 N MET B 19 -27.065 -17.996 24.146 1.00 65.60 B N +ATOM 281 CA MET B 19 -28.508 -18.027 23.854 1.00 61.74 B C +ATOM 282 C MET B 19 -28.844 -16.831 22.984 1.00 56.67 B C +ATOM 283 O MET B 19 -28.245 -15.755 23.138 1.00 56.46 B O +ATOM 284 CB MET B 19 -29.382 -18.002 25.109 1.00 59.79 B C +ATOM 285 CG MET B 19 -29.088 -16.869 26.064 1.00 60.70 B C +ATOM 286 SD MET B 19 -30.362 -16.870 27.398 1.00 71.07 B S +ATOM 287 CE MET B 19 -29.875 -15.438 28.361 1.00 65.17 B C +ATOM 288 H MET B 19 -26.675 -17.192 24.616 1.00 65.60 B H +ATOM 289 HA MET B 19 -28.709 -18.855 23.360 1.00 61.74 B H +ATOM 290 HB2 MET B 19 -30.319 -17.938 24.837 1.00 59.79 B H +ATOM 291 HB3 MET B 19 -29.264 -18.846 25.589 1.00 59.79 B H +ATOM 292 HG2 MET B 19 -28.190 -16.989 26.440 1.00 60.70 B H +ATOM 293 HG3 MET B 19 -29.100 -16.021 25.572 1.00 60.70 B H +ATOM 294 HE1 MET B 19 -30.477 -15.332 29.102 1.00 65.17 B H +ATOM 295 HE2 MET B 19 -28.981 -15.563 28.689 1.00 65.17 B H +ATOM 296 HE3 MET B 19 -29.907 -14.651 27.804 1.00 65.17 B H +ATOM 297 N THR B 20 -29.834 -17.064 22.152 1.00 54.30 B N +ATOM 298 CA THR B 20 -30.529 -16.051 21.367 1.00 62.58 B C +ATOM 299 C THR B 20 -31.980 -16.095 21.805 1.00 56.14 B C +ATOM 300 O THR B 20 -32.582 -17.163 21.680 1.00 64.63 B O +ATOM 301 CB THR B 20 -30.280 -16.318 19.888 1.00 67.91 B C +ATOM 302 CG2 THR B 20 -30.955 -15.310 18.983 1.00 74.06 B C +ATOM 303 OG1 THR B 20 -28.859 -16.232 19.844 1.00 67.61 B O +ATOM 304 H THR B 20 -30.116 -18.030 22.069 1.00 54.30 B H +ATOM 305 HA THR B 20 -30.135 -15.170 21.586 1.00 62.58 B H +ATOM 306 HB THR B 20 -30.625 -17.219 19.673 1.00 67.91 B H +ATOM 307 HG1 THR B 20 -28.593 -16.365 19.059 0.00 67.61 B H +ATOM 308 HG21 THR B 20 -31.933 -15.335 19.130 1.00 74.06 B H +ATOM 309 HG22 THR B 20 -30.761 -15.531 18.039 1.00 74.06 B H +ATOM 310 HG23 THR B 20 -30.615 -14.404 19.185 1.00 74.06 B H +ATOM 311 N ILE B 21 -32.511 -14.984 22.325 1.00 62.73 B N +ATOM 312 CA ILE B 21 -33.959 -14.907 22.678 1.00 65.98 B C +ATOM 313 C ILE B 21 -34.585 -13.865 21.762 1.00 64.93 B C +ATOM 314 O ILE B 21 -33.952 -12.839 21.534 1.00 63.31 B O +ATOM 315 CB ILE B 21 -34.176 -14.664 24.183 1.00 65.45 B C +ATOM 316 CG1 ILE B 21 -33.501 -13.398 24.704 1.00 75.64 B C +ATOM 317 CG2 ILE B 21 -33.700 -15.884 24.954 1.00 77.14 B C +ATOM 318 CD1 ILE B 21 -33.839 -13.076 26.144 1.00 77.56 B C +ATOM 319 H ILE B 21 -31.922 -14.179 22.483 1.00 62.73 B H +ATOM 320 HA ILE B 21 -34.364 -15.775 22.504 1.00 65.98 B H +ATOM 321 HB ILE B 21 -35.149 -14.562 24.329 1.00 65.45 B H +ATOM 322 HG12 ILE B 21 -32.529 -13.503 24.623 1.00 75.64 B H +ATOM 323 HG13 ILE B 21 -33.770 -12.643 24.139 1.00 75.64 B H +ATOM 324 HG21 ILE B 21 -34.207 -16.666 24.675 1.00 77.14 B H +ATOM 325 HG22 ILE B 21 -33.835 -15.742 25.907 1.00 77.14 B H +ATOM 326 HG23 ILE B 21 -32.754 -16.033 24.780 1.00 77.14 B H +ATOM 327 HD11 ILE B 21 -34.799 -12.948 26.232 1.00 77.56 B H +ATOM 328 HD12 ILE B 21 -33.379 -12.262 26.412 1.00 77.56 B H +ATOM 329 HD13 ILE B 21 -33.557 -13.810 26.717 1.00 77.56 B H +ATOM 330 N GLU B 22 -35.753 -14.180 21.217 1.00 76.20 B N +ATOM 331 CA GLU B 22 -36.343 -13.462 20.065 1.00 74.34 B C +ATOM 332 C GLU B 22 -37.557 -12.665 20.518 1.00 74.80 B C +ATOM 333 O GLU B 22 -38.348 -13.249 21.258 1.00 72.29 B O +ATOM 334 CB GLU B 22 -36.741 -14.494 19.026 1.00 78.92 B C +ATOM 335 CG GLU B 22 -35.603 -15.431 18.672 1.00 82.51 B C +ATOM 336 CD GLU B 22 -35.701 -15.977 17.263 1.00 85.75 B C +ATOM 337 OE1 GLU B 22 -34.821 -15.647 16.446 1.00 94.82 B O +ATOM 338 OE2 GLU B 22 -36.685 -16.688 16.972 1.00 96.09 B O +ATOM 339 H GLU B 22 -36.255 -14.956 21.623 1.00 76.20 B H +ATOM 340 HA GLU B 22 -35.671 -12.834 19.711 1.00 74.34 B H +ATOM 341 HB2 GLU B 22 -37.493 -15.015 19.376 1.00 78.92 B H +ATOM 342 HB3 GLU B 22 -37.038 -14.025 18.219 1.00 78.92 B H +ATOM 343 HG2 GLU B 22 -34.753 -14.952 18.774 1.00 82.51 B H +ATOM 344 HG3 GLU B 22 -35.596 -16.178 19.308 1.00 82.51 B H +ATOM 345 N CYS B 23 -37.645 -11.386 20.113 1.00 82.23 B N +ATOM 346 CA CYS B 23 -38.905 -10.592 20.003 1.00 80.93 B C +ATOM 347 C CYS B 23 -39.170 -10.305 18.527 1.00 80.45 B C +ATOM 348 O CYS B 23 -38.223 -9.883 17.815 1.00 75.01 B O +ATOM 349 CB CYS B 23 -38.885 -9.325 20.853 1.00 78.41 B C +ATOM 350 SG CYS B 23 -39.256 -9.785 22.562 1.00112.53 B S +ATOM 351 H CYS B 23 -36.766 -10.952 19.869 1.00 82.23 B H +ATOM 352 HA CYS B 23 -39.644 -11.141 20.363 1.00 80.93 B H +ATOM 353 HB2 CYS B 23 -37.994 -8.901 20.782 1.00 78.41 B H +ATOM 354 HB3 CYS B 23 -39.554 -8.688 20.500 1.00 78.41 B H +ATOM 355 N LYS B 24 -40.395 -10.606 18.090 1.00 77.72 B N +ATOM 356 CA LYS B 24 -40.884 -10.347 16.712 1.00 86.72 B C +ATOM 357 C LYS B 24 -41.771 -9.099 16.757 1.00 77.88 B C +ATOM 358 O LYS B 24 -42.621 -9.000 17.671 1.00 76.97 B O +ATOM 359 CB LYS B 24 -41.631 -11.575 16.179 1.00 96.03 B C +ATOM 360 CG LYS B 24 -40.795 -12.842 16.018 1.00102.98 B C +ATOM 361 CD LYS B 24 -39.649 -12.707 15.027 1.00109.18 B C +ATOM 362 CE LYS B 24 -39.212 -14.023 14.412 1.00109.12 B C +ATOM 363 NZ LYS B 24 -38.380 -13.805 13.204 1.00102.27 B N +ATOM 364 H LYS B 24 -41.015 -11.039 18.759 1.00 77.72 B H +ATOM 365 HA LYS B 24 -40.106 -10.177 16.131 1.00 86.72 B H +ATOM 366 HB2 LYS B 24 -42.378 -11.772 16.782 1.00 96.03 B H +ATOM 367 HB3 LYS B 24 -42.021 -11.349 15.309 1.00 96.03 B H +ATOM 368 HG2 LYS B 24 -40.422 -13.084 16.892 1.00102.98 B H +ATOM 369 HG3 LYS B 24 -41.382 -13.568 15.716 1.00102.98 B H +ATOM 370 HD2 LYS B 24 -39.920 -12.101 14.305 1.00109.18 B H +ATOM 371 HD3 LYS B 24 -38.878 -12.305 15.482 1.00109.18 B H +ATOM 372 HE2 LYS B 24 -38.700 -14.535 15.066 1.00109.12 B H +ATOM 373 HE3 LYS B 24 -39.998 -14.548 14.169 1.00109.12 B H +ATOM 374 HZ1 LYS B 24 -38.853 -13.341 12.585 1.00102.27 B H +ATOM 375 HZ2 LYS B 24 -38.129 -14.604 12.856 1.00102.27 B H +ATOM 376 HZ3 LYS B 24 -37.638 -13.332 13.424 1.00102.27 B H +ATOM 377 N PHE B 25 -41.547 -8.157 15.844 1.00 79.74 B N +ATOM 378 CA PHE B 25 -42.393 -6.943 15.674 1.00 79.70 B C +ATOM 379 C PHE B 25 -42.647 -6.703 14.185 1.00 71.33 B C +ATOM 380 O PHE B 25 -41.784 -7.002 13.362 1.00 67.56 B O +ATOM 381 CB PHE B 25 -41.732 -5.744 16.355 1.00 72.37 B C +ATOM 382 CG PHE B 25 -40.438 -5.330 15.706 1.00 73.43 B C +ATOM 383 CD1 PHE B 25 -39.245 -5.935 16.050 1.00 72.97 B C +ATOM 384 CD2 PHE B 25 -40.420 -4.356 14.725 1.00 73.27 B C +ATOM 385 CE1 PHE B 25 -38.056 -5.559 15.446 1.00 70.74 B C +ATOM 386 CE2 PHE B 25 -39.229 -3.969 14.134 1.00 72.80 B C +ATOM 387 CZ PHE B 25 -38.046 -4.569 14.499 1.00 73.45 B C +ATOM 388 H PHE B 25 -40.750 -8.291 15.238 1.00 79.74 B H +ATOM 389 HA PHE B 25 -43.264 -7.100 16.119 1.00 79.70 B H +ATOM 390 HB2 PHE B 25 -42.362 -4.994 16.341 1.00 72.37 B H +ATOM 391 HB3 PHE B 25 -41.571 -5.971 17.295 1.00 72.37 B H +ATOM 392 HD1 PHE B 25 -39.240 -6.618 16.701 1.00 72.97 B H +ATOM 393 HD2 PHE B 25 -41.230 -3.952 14.457 1.00 73.27 B H +ATOM 394 HE1 PHE B 25 -37.250 -5.983 15.693 1.00 70.74 B H +ATOM 395 HE2 PHE B 25 -39.228 -3.286 13.482 1.00 72.80 B H +ATOM 396 HZ PHE B 25 -37.234 -4.316 14.090 1.00 73.45 B H +ATOM 397 N PRO B 26 -43.821 -6.145 13.797 1.00 88.94 B N +ATOM 398 CA PRO B 26 -44.164 -5.940 12.387 1.00 91.90 B C +ATOM 399 C PRO B 26 -43.253 -4.931 11.677 1.00 81.87 B C +ATOM 400 O PRO B 26 -42.982 -3.876 12.203 1.00 87.42 B O +ATOM 401 CB PRO B 26 -45.597 -5.394 12.420 1.00 90.63 B C +ATOM 402 CG PRO B 26 -46.116 -5.788 13.788 1.00 97.15 B C +ATOM 403 CD PRO B 26 -44.901 -5.681 14.685 1.00 95.73 B C +ATOM 404 HA PRO B 26 -44.117 -6.806 11.910 1.00 91.90 B H +ATOM 405 HB2 PRO B 26 -45.605 -4.421 12.302 1.00 90.63 B H +ATOM 406 HB3 PRO B 26 -46.140 -5.788 11.706 1.00 90.63 B H +ATOM 407 HG2 PRO B 26 -46.831 -5.184 14.077 1.00 97.15 B H +ATOM 408 HG3 PRO B 26 -46.475 -6.700 13.776 1.00 97.15 B H +ATOM 409 HD2 PRO B 26 -44.769 -4.757 14.985 1.00 95.73 B H +ATOM 410 HD3 PRO B 26 -45.002 -6.246 15.479 1.00 95.73 B H +ATOM 411 N VAL B 27 -42.784 -5.322 10.504 1.00 88.20 B N +ATOM 412 CA VAL B 27 -41.981 -4.406 9.656 1.00107.30 B C +ATOM 413 C VAL B 27 -42.494 -4.636 8.234 1.00116.22 B C +ATOM 414 O VAL B 27 -42.482 -5.786 7.768 1.00114.20 B O +ATOM 415 CB VAL B 27 -40.468 -4.637 9.802 1.00108.91 B C +ATOM 416 CG1 VAL B 27 -40.032 -6.014 9.341 1.00115.65 B C +ATOM 417 CG2 VAL B 27 -39.671 -3.565 9.083 1.00125.41 B C +ATOM 418 H VAL B 27 -42.973 -6.258 10.176 1.00 88.20 B H +ATOM 419 HA VAL B 27 -42.161 -3.491 9.936 1.00107.30 B H +ATOM 420 HB VAL B 27 -40.254 -4.577 10.766 1.00108.91 B H +ATOM 421 HG11 VAL B 27 -40.487 -6.693 9.869 1.00115.65 B H +ATOM 422 HG12 VAL B 27 -39.070 -6.105 9.455 1.00115.65 B H +ATOM 423 HG13 VAL B 27 -40.259 -6.129 8.402 1.00115.65 B H +ATOM 424 HG21 VAL B 27 -39.894 -3.574 8.136 1.00125.41 B H +ATOM 425 HG22 VAL B 27 -38.720 -3.738 9.194 1.00125.41 B H +ATOM 426 HG23 VAL B 27 -39.887 -2.693 9.458 1.00125.41 B H +ATOM 427 N GLU B 28 -43.044 -3.601 7.607 1.00141.15 B N +ATOM 428 CA GLU B 28 -43.647 -3.770 6.259 1.00136.61 B C +ATOM 429 C GLU B 28 -42.567 -3.554 5.203 1.00129.13 B C +ATOM 430 O GLU B 28 -42.111 -4.543 4.618 1.00133.47 B O +ATOM 431 CB GLU B 28 -44.804 -2.794 6.057 1.00131.68 B C +ATOM 432 CG GLU B 28 -46.066 -3.177 6.807 1.00136.60 B C +ATOM 433 CD GLU B 28 -46.197 -2.610 8.210 1.00144.31 B C +ATOM 434 OE1 GLU B 28 -46.994 -1.669 8.392 1.00130.50 B O +ATOM 435 OE2 GLU B 28 -45.514 -3.117 9.120 1.00145.35 B O +ATOM 436 H GLU B 28 -43.057 -2.689 8.042 1.00141.15 B H +ATOM 437 HA GLU B 28 -43.989 -4.690 6.183 1.00136.61 B H +ATOM 438 HB2 GLU B 28 -44.518 -1.906 6.356 1.00131.68 B H +ATOM 439 HB3 GLU B 28 -45.009 -2.747 5.100 1.00131.68 B H +ATOM 440 HG2 GLU B 28 -46.845 -2.881 6.290 1.00136.60 B H +ATOM 441 HG3 GLU B 28 -46.112 -4.155 6.873 1.00136.60 B H +ATOM 442 N LYS B 29 -42.170 -2.308 4.983 1.00127.84 B N +ATOM 443 CA LYS B 29 -41.193 -2.028 3.908 1.00128.06 B C +ATOM 444 C LYS B 29 -39.835 -1.828 4.543 1.00127.87 B C +ATOM 445 O LYS B 29 -39.618 -2.372 5.635 1.00131.03 B O +ATOM 446 CB LYS B 29 -41.559 -0.731 3.190 1.00111.63 B C +ATOM 447 H LYS B 29 -42.524 -1.542 5.538 1.00127.84 B H +ATOM 448 HA LYS B 29 -41.159 -2.807 3.306 1.00128.06 B H +ATOM 449 HB2 LYS B 29 -42.467 -0.818 2.833 1.00111.63 B H +ATOM 450 HB3 LYS B 29 -41.582 -0.006 3.849 0.00111.63 B H +ATOM 451 N GLN B 30 -38.952 -1.094 3.870 1.00126.40 B N +ATOM 452 CA GLN B 30 -37.673 -0.746 4.542 1.00128.08 B C +ATOM 453 C GLN B 30 -38.027 -0.103 5.894 1.00125.62 B C +ATOM 454 O GLN B 30 -39.005 0.682 5.920 1.00115.36 B O +ATOM 455 CB GLN B 30 -36.866 0.186 3.633 1.00121.68 B C +ATOM 456 CG GLN B 30 -35.417 0.364 4.070 1.00131.47 B C +ATOM 457 CD GLN B 30 -34.428 0.514 2.938 1.00130.93 B C +ATOM 458 NE2 GLN B 30 -34.800 0.067 1.748 1.00128.07 B N +ATOM 459 OE1 GLN B 30 -33.319 1.012 3.131 1.00125.15 B O +ATOM 460 H GLN B 30 -39.118 -0.768 2.929 1.00126.40 B H +ATOM 461 HA GLN B 30 -37.163 -1.575 4.691 1.00128.08 B H +ATOM 462 HB2 GLN B 30 -36.883 -0.175 2.722 1.00121.68 B H +ATOM 463 HB3 GLN B 30 -37.305 1.062 3.616 1.00121.68 B H +ATOM 464 HG2 GLN B 30 -35.346 1.162 4.636 1.00131.47 B H +ATOM 465 HG3 GLN B 30 -35.144 -0.412 4.605 1.00131.47 B H +ATOM 466 HE21 GLN B 30 -34.251 0.135 1.058 1.00128.07 B H +ATOM 467 HE22 GLN B 30 -35.597 -0.300 1.643 1.00128.07 B H +ATOM 468 N LEU B 31 -37.312 -0.435 6.980 1.00118.67 B N +ATOM 469 CA LEU B 31 -37.607 0.153 8.323 1.00125.46 B C +ATOM 470 C LEU B 31 -36.909 1.510 8.480 1.00116.44 B C +ATOM 471 O LEU B 31 -35.753 1.654 8.014 1.00112.36 B O +ATOM 472 CB LEU B 31 -37.262 -0.787 9.492 1.00132.93 B C +ATOM 473 CG LEU B 31 -36.002 -1.652 9.420 1.00133.15 B C +ATOM 474 CD1 LEU B 31 -34.742 -0.848 9.123 1.00140.29 B C +ATOM 475 CD2 LEU B 31 -35.837 -2.410 10.726 1.00123.10 B C +ATOM 476 H LEU B 31 -36.556 -1.098 6.888 1.00118.67 B H +ATOM 477 HA LEU B 31 -38.579 0.296 8.395 1.00125.46 B H +ATOM 478 HB2 LEU B 31 -37.179 -0.249 10.305 1.00132.93 B H +ATOM 479 HB3 LEU B 31 -38.010 -1.403 9.622 1.00132.93 B H +ATOM 480 HG LEU B 31 -36.119 -2.304 8.686 1.00133.15 B H +ATOM 481 HD11 LEU B 31 -34.839 -0.396 8.267 1.00140.29 B H +ATOM 482 HD12 LEU B 31 -33.975 -1.446 9.090 1.00140.29 B H +ATOM 483 HD13 LEU B 31 -34.606 -0.187 9.824 1.00140.29 B H +ATOM 484 HD21 LEU B 31 -35.756 -1.777 11.461 1.00123.10 B H +ATOM 485 HD22 LEU B 31 -35.037 -2.962 10.682 1.00123.10 B H +ATOM 486 HD23 LEU B 31 -36.613 -2.978 10.872 1.00123.10 B H +ATOM 487 N ASP B 32 -37.617 2.470 9.087 1.00106.16 B N +ATOM 488 CA ASP B 32 -37.035 3.739 9.602 1.00107.80 B C +ATOM 489 C ASP B 32 -36.233 3.342 10.847 1.00 93.04 B C +ATOM 490 O ASP B 32 -36.831 3.197 11.922 1.00 87.30 B O +ATOM 491 CB ASP B 32 -38.089 4.841 9.820 1.00106.49 B C +ATOM 492 CG ASP B 32 -39.516 4.341 10.044 1.00116.98 B C +ATOM 493 OD1 ASP B 32 -39.688 3.117 10.220 1.00133.33 B O +ATOM 494 OD2 ASP B 32 -40.454 5.171 10.028 1.00103.73 B O +ATOM 495 H ASP B 32 -38.608 2.304 9.193 1.00106.16 B H +ATOM 496 HA ASP B 32 -36.440 4.113 8.910 1.00107.80 B H +ATOM 497 HB2 ASP B 32 -37.839 5.357 10.614 1.00106.49 B H +ATOM 498 HB3 ASP B 32 -38.109 5.413 9.026 1.00106.49 B H +ATOM 499 N LEU B 33 -34.937 3.103 10.655 1.00 83.93 B N +ATOM 500 CA LEU B 33 -33.954 2.742 11.704 1.00 92.12 B C +ATOM 501 C LEU B 33 -33.985 3.794 12.814 1.00 94.63 B C +ATOM 502 O LEU B 33 -33.780 3.421 14.007 1.00114.60 B O +ATOM 503 CB LEU B 33 -32.567 2.647 11.056 1.00 99.87 B C +ATOM 504 CG LEU B 33 -31.580 1.680 11.710 1.00110.93 B C +ATOM 505 CD1 LEU B 33 -32.111 0.249 11.683 1.00111.04 B C +ATOM 506 CD2 LEU B 33 -30.214 1.756 11.034 1.00107.04 B C +ATOM 507 H LEU B 33 -34.628 3.183 9.697 1.00 83.93 B H +ATOM 508 HA LEU B 33 -34.211 1.871 12.086 1.00 92.12 B H +ATOM 509 HB2 LEU B 33 -32.681 2.378 10.123 1.00 99.87 B H +ATOM 510 HB3 LEU B 33 -32.165 3.538 11.058 1.00 99.87 B H +ATOM 511 HG LEU B 33 -31.469 1.948 12.655 1.00110.93 B H +ATOM 512 HD11 LEU B 33 -32.955 0.207 12.166 1.00111.04 B H +ATOM 513 HD12 LEU B 33 -31.465 -0.345 12.103 1.00111.04 B H +ATOM 514 HD13 LEU B 33 -32.252 -0.028 10.761 1.00111.04 B H +ATOM 515 HD21 LEU B 33 -30.304 1.523 10.093 1.00107.04 B H +ATOM 516 HD22 LEU B 33 -29.603 1.134 11.466 1.00107.04 B H +ATOM 517 HD23 LEU B 33 -29.863 2.660 11.111 1.00107.04 B H +ATOM 518 N ALA B 34 -34.245 5.050 12.438 1.00 91.60 B N +ATOM 519 CA ALA B 34 -34.272 6.225 13.343 1.00 98.24 B C +ATOM 520 C ALA B 34 -35.421 6.083 14.354 1.00 81.72 B C +ATOM 521 O ALA B 34 -35.156 6.174 15.587 1.00 97.29 B O +ATOM 522 CB ALA B 34 -34.400 7.489 12.523 1.00100.68 B C +ATOM 523 H ALA B 34 -34.435 5.181 11.455 1.00 91.60 B H +ATOM 524 HA ALA B 34 -33.422 6.256 13.841 1.00 98.24 B H +ATOM 525 HB1 ALA B 34 -34.418 8.258 13.113 1.00100.68 B H +ATOM 526 HB2 ALA B 34 -33.643 7.563 11.920 1.00100.68 B H +ATOM 527 HB3 ALA B 34 -35.223 7.459 12.006 1.00100.68 B H +ATOM 528 N ALA B 35 -36.629 5.834 13.832 1.00 71.73 B N +ATOM 529 CA ALA B 35 -37.891 5.617 14.579 1.00 77.42 B C +ATOM 530 C ALA B 35 -37.783 4.421 15.553 1.00 74.61 B C +ATOM 531 O ALA B 35 -38.381 4.485 16.678 1.00 64.25 B O +ATOM 532 CB ALA B 35 -39.018 5.425 13.598 1.00 72.01 B C +ATOM 533 H ALA B 35 -36.642 5.798 12.823 1.00 71.73 B H +ATOM 534 HA ALA B 35 -38.079 6.422 15.117 1.00 77.42 B H +ATOM 535 HB1 ALA B 35 -39.847 5.283 14.080 1.00 72.01 B H +ATOM 536 HB2 ALA B 35 -39.101 6.214 13.041 1.00 72.01 B H +ATOM 537 HB3 ALA B 35 -38.833 4.652 13.038 1.00 72.01 B H +ATOM 538 N LEU B 36 -37.050 3.375 15.171 1.00 65.39 B N +ATOM 539 CA LEU B 36 -37.035 2.106 15.937 1.00 70.79 B C +ATOM 540 C LEU B 36 -36.373 2.343 17.295 1.00 66.42 B C +ATOM 541 O LEU B 36 -35.278 2.943 17.358 1.00 61.00 B O +ATOM 542 CB LEU B 36 -36.304 0.993 15.181 1.00 76.13 B C +ATOM 543 CG LEU B 36 -36.211 -0.327 15.949 1.00 72.56 B C +ATOM 544 CD1 LEU B 36 -37.595 -0.823 16.321 1.00 76.84 B C +ATOM 545 CD2 LEU B 36 -35.472 -1.381 15.152 1.00 76.01 B C +ATOM 546 H LEU B 36 -36.489 3.452 14.335 1.00 65.39 B H +ATOM 547 HA LEU B 36 -37.966 1.819 16.083 1.00 70.79 B H +ATOM 548 HB2 LEU B 36 -36.768 0.840 14.334 1.00 76.13 B H +ATOM 549 HB3 LEU B 36 -35.402 1.306 14.969 1.00 76.13 B H +ATOM 550 HG LEU B 36 -35.700 -0.163 16.780 1.00 72.56 B H +ATOM 551 HD11 LEU B 36 -38.037 -0.161 16.881 1.00 76.84 B H +ATOM 552 HD12 LEU B 36 -37.519 -1.662 16.807 1.00 76.84 B H +ATOM 553 HD13 LEU B 36 -38.117 -0.964 15.512 1.00 76.84 B H +ATOM 554 HD21 LEU B 36 -35.941 -1.543 14.315 1.00 76.01 B H +ATOM 555 HD22 LEU B 36 -35.429 -2.206 15.666 1.00 76.01 B H +ATOM 556 HD23 LEU B 36 -34.569 -1.071 14.962 1.00 76.01 B H +ATOM 557 N ILE B 37 -37.041 1.864 18.337 1.00 64.08 B N +ATOM 558 CA ILE B 37 -36.443 1.752 19.690 1.00 60.41 B C +ATOM 559 C ILE B 37 -36.602 0.316 20.184 1.00 58.97 B C +ATOM 560 O ILE B 37 -37.742 -0.264 20.159 1.00 52.90 B O +ATOM 561 CB ILE B 37 -37.091 2.758 20.637 1.00 59.53 B C +ATOM 562 CG1 ILE B 37 -36.908 4.186 20.121 1.00 60.48 B C +ATOM 563 CG2 ILE B 37 -36.543 2.598 22.043 1.00 58.49 B C +ATOM 564 CD1 ILE B 37 -38.027 5.099 20.549 1.00 59.86 B C +ATOM 565 H ILE B 37 -37.995 1.566 18.194 1.00 64.08 B H +ATOM 566 HA ILE B 37 -35.492 1.952 19.623 1.00 60.41 B H +ATOM 567 HB ILE B 37 -38.058 2.555 20.667 1.00 59.53 B H +ATOM 568 HG12 ILE B 37 -36.054 4.534 20.456 1.00 60.48 B H +ATOM 569 HG13 ILE B 37 -36.860 4.163 19.141 1.00 60.48 B H +ATOM 570 HG21 ILE B 37 -36.730 1.700 22.367 1.00 58.49 B H +ATOM 571 HG22 ILE B 37 -36.967 3.243 22.635 1.00 58.49 B H +ATOM 572 HG23 ILE B 37 -35.581 2.746 22.038 1.00 58.49 B H +ATOM 573 HD11 ILE B 37 -38.872 4.762 20.204 1.00 59.86 B H +ATOM 574 HD12 ILE B 37 -37.870 5.993 20.199 1.00 59.86 B H +ATOM 575 HD13 ILE B 37 -38.065 5.134 21.521 1.00 59.86 B H +ATOM 576 N VAL B 38 -35.485 -0.240 20.624 1.00 59.10 B N +ATOM 577 CA VAL B 38 -35.479 -1.565 21.293 1.00 62.81 B C +ATOM 578 C VAL B 38 -34.786 -1.419 22.652 1.00 61.40 B C +ATOM 579 O VAL B 38 -33.638 -0.888 22.734 1.00 56.50 B O +ATOM 580 CB VAL B 38 -34.866 -2.643 20.388 1.00 62.97 B C +ATOM 581 CG1 VAL B 38 -34.853 -3.980 21.094 1.00 68.05 B C +ATOM 582 CG2 VAL B 38 -35.626 -2.764 19.069 1.00 58.91 B C +ATOM 583 H VAL B 38 -34.612 0.253 20.500 1.00 59.10 B H +ATOM 584 HA VAL B 38 -36.402 -1.839 21.441 1.00 62.81 B H +ATOM 585 HB VAL B 38 -33.942 -2.359 20.178 1.00 62.97 B H +ATOM 586 HG11 VAL B 38 -34.325 -3.912 21.908 1.00 68.05 B H +ATOM 587 HG12 VAL B 38 -34.463 -4.653 20.509 1.00 68.05 B H +ATOM 588 HG13 VAL B 38 -35.764 -4.237 21.320 1.00 68.05 B H +ATOM 589 HG21 VAL B 38 -36.552 -3.002 19.248 1.00 58.91 B H +ATOM 590 HG22 VAL B 38 -35.214 -3.453 18.519 1.00 58.91 B H +ATOM 591 HG23 VAL B 38 -35.596 -1.913 18.598 1.00 58.91 B H +ATOM 592 N TYR B 39 -35.489 -1.830 23.701 1.00 58.41 B N +ATOM 593 CA TYR B 39 -34.866 -2.085 25.020 1.00 65.82 B C +ATOM 594 C TYR B 39 -34.911 -3.592 25.299 1.00 55.79 B C +ATOM 595 O TYR B 39 -35.928 -4.245 25.019 1.00 53.71 B O +ATOM 596 CB TYR B 39 -35.571 -1.286 26.119 1.00 70.94 B C +ATOM 597 CG TYR B 39 -35.614 0.222 25.959 1.00 73.94 B C +ATOM 598 CD1 TYR B 39 -34.469 0.990 26.001 1.00 75.70 B C +ATOM 599 CD2 TYR B 39 -36.816 0.895 25.818 1.00 75.83 B C +ATOM 600 CE1 TYR B 39 -34.514 2.371 25.908 1.00 76.79 B C +ATOM 601 CE2 TYR B 39 -36.881 2.277 25.714 1.00 76.01 B C +ATOM 602 CZ TYR B 39 -35.725 3.019 25.770 1.00 72.42 B C +ATOM 603 OH TYR B 39 -35.773 4.373 25.671 1.00 80.34 B O +ATOM 604 H TYR B 39 -36.483 -1.972 23.590 1.00 58.41 B H +ATOM 605 HA TYR B 39 -33.919 -1.794 24.984 1.00 65.82 B H +ATOM 606 HB2 TYR B 39 -36.496 -1.603 26.188 1.00 70.94 B H +ATOM 607 HB3 TYR B 39 -35.132 -1.481 26.973 1.00 70.94 B H +ATOM 608 HD1 TYR B 39 -33.635 0.569 26.133 1.00 75.70 B H +ATOM 609 HD2 TYR B 39 -37.614 0.394 25.792 1.00 75.83 B H +ATOM 610 HE1 TYR B 39 -33.717 2.874 25.939 1.00 76.79 B H +ATOM 611 HE2 TYR B 39 -37.714 2.708 25.620 1.00 76.01 B H +ATOM 612 HH TYR B 39 -34.980 4.699 25.708 0.00 80.34 B H +ATOM 613 N TRP B 40 -33.841 -4.121 25.881 1.00 64.14 B N +ATOM 614 CA TRP B 40 -33.851 -5.412 26.620 1.00 59.84 B C +ATOM 615 C TRP B 40 -33.436 -5.184 28.063 1.00 56.41 B C +ATOM 616 O TRP B 40 -32.380 -4.579 28.283 1.00 57.79 B O +ATOM 617 CB TRP B 40 -32.907 -6.421 25.992 1.00 59.89 B C +ATOM 618 CG TRP B 40 -33.440 -7.077 24.766 1.00 54.24 B C +ATOM 619 CD1 TRP B 40 -33.179 -6.728 23.480 1.00 54.43 B C +ATOM 620 CD2 TRP B 40 -34.254 -8.250 24.709 1.00 56.26 B C +ATOM 621 CE2 TRP B 40 -34.462 -8.538 23.346 1.00 57.27 B C +ATOM 622 CE3 TRP B 40 -34.831 -9.077 25.670 1.00 57.20 B C +ATOM 623 NE1 TRP B 40 -33.781 -7.602 22.618 1.00 60.73 B N +ATOM 624 CZ2 TRP B 40 -35.227 -9.617 22.926 1.00 55.87 B C +ATOM 625 CZ3 TRP B 40 -35.642 -10.110 25.253 1.00 52.21 B C +ATOM 626 CH2 TRP B 40 -35.794 -10.403 23.904 1.00 60.80 B C +ATOM 627 H TRP B 40 -32.977 -3.602 25.808 1.00 64.14 B H +ATOM 628 HA TRP B 40 -34.772 -5.765 26.606 1.00 59.84 B H +ATOM 629 HB2 TRP B 40 -32.072 -5.962 25.767 1.00 59.89 B H +ATOM 630 HB3 TRP B 40 -32.708 -7.111 26.658 1.00 59.89 B H +ATOM 631 HD1 TRP B 40 -32.619 -6.016 23.212 1.00 54.43 B H +ATOM 632 HE1 TRP B 40 -33.740 -7.560 21.743 1.00 60.73 B H +ATOM 633 HE3 TRP B 40 -34.705 -8.903 26.589 1.00 57.20 B H +ATOM 634 HZ2 TRP B 40 -35.352 -9.803 22.011 1.00 55.87 B H +ATOM 635 HZ3 TRP B 40 -36.039 -10.677 25.895 1.00 52.21 B H +ATOM 636 HH2 TRP B 40 -36.354 -11.114 23.648 1.00 60.80 B H +ATOM 637 N GLU B 41 -34.231 -5.712 28.987 1.00 57.91 B N +ATOM 638 CA GLU B 41 -33.964 -5.668 30.444 1.00 68.27 B C +ATOM 639 C GLU B 41 -34.161 -7.066 31.051 1.00 61.13 B C +ATOM 640 O GLU B 41 -35.074 -7.835 30.625 1.00 55.85 B O +ATOM 641 CB GLU B 41 -34.878 -4.641 31.126 1.00 75.50 B C +ATOM 642 CG GLU B 41 -34.915 -3.300 30.412 1.00 94.12 B C +ATOM 643 CD GLU B 41 -35.040 -2.090 31.315 1.00102.48 B C +ATOM 644 OE1 GLU B 41 -34.173 -1.170 31.227 1.00102.93 B O +ATOM 645 OE2 GLU B 41 -35.992 -2.078 32.108 1.00115.04 B O +ATOM 646 H GLU B 41 -35.068 -6.169 28.653 1.00 57.91 B H +ATOM 647 HA GLU B 41 -33.028 -5.395 30.582 1.00 68.27 B H +ATOM 648 HB2 GLU B 41 -35.786 -5.007 31.162 1.00 75.50 B H +ATOM 649 HB3 GLU B 41 -34.563 -4.504 32.044 1.00 75.50 B H +ATOM 650 HG2 GLU B 41 -34.096 -3.200 29.881 1.00 94.12 B H +ATOM 651 HG3 GLU B 41 -35.671 -3.293 29.787 1.00 94.12 B H +ATOM 652 N MET B 42 -33.337 -7.375 32.044 1.00 65.77 B N +ATOM 653 CA MET B 42 -33.602 -8.492 32.975 1.00 71.56 B C +ATOM 654 C MET B 42 -33.766 -7.900 34.376 1.00 64.67 B C +ATOM 655 O MET B 42 -32.754 -7.399 34.936 1.00 59.72 B O +ATOM 656 CB MET B 42 -32.483 -9.535 32.990 1.00 63.38 B C +ATOM 657 CG MET B 42 -32.918 -10.768 33.755 1.00 78.34 B C +ATOM 658 SD MET B 42 -31.716 -11.303 34.967 1.00 87.39 B S +ATOM 659 CE MET B 42 -31.605 -9.867 36.026 1.00101.18 B C +ATOM 660 H MET B 42 -32.500 -6.823 32.163 1.00 65.77 B H +ATOM 661 HA MET B 42 -34.440 -8.933 32.703 1.00 71.56 B H +ATOM 662 HB2 MET B 42 -32.258 -9.766 32.067 1.00 63.38 B H +ATOM 663 HB3 MET B 42 -31.690 -9.138 33.403 1.00 63.38 B H +ATOM 664 HG2 MET B 42 -33.764 -10.580 34.215 1.00 78.34 B H +ATOM 665 HG3 MET B 42 -33.072 -11.502 33.123 1.00 78.34 B H +ATOM 666 HE1 MET B 42 -30.976 -10.038 36.731 1.00101.18 B H +ATOM 667 HE2 MET B 42 -31.312 -9.112 35.511 1.00101.18 B H +ATOM 668 HE3 MET B 42 -32.472 -9.681 36.406 1.00101.18 B H +ATOM 669 N GLU B 43 -34.987 -7.971 34.898 1.00 69.44 B N +ATOM 670 CA GLU B 43 -35.365 -7.421 36.226 1.00 87.23 B C +ATOM 671 C GLU B 43 -34.996 -5.927 36.190 1.00 83.69 B C +ATOM 672 O GLU B 43 -35.566 -5.224 35.319 1.00 84.38 B O +ATOM 673 CB GLU B 43 -34.827 -8.362 37.322 1.00 89.69 B C +ATOM 674 CG GLU B 43 -35.789 -9.542 37.585 1.00 97.64 B C +ATOM 675 CD GLU B 43 -35.241 -10.926 37.954 1.00101.09 B C +ATOM 676 OE1 GLU B 43 -34.301 -10.990 38.776 1.00 89.32 B O +ATOM 677 OE2 GLU B 43 -35.779 -11.962 37.431 1.00 79.57 B O +ATOM 678 H GLU B 43 -35.689 -8.433 34.339 1.00 69.44 B H +ATOM 679 HA GLU B 43 -36.337 -7.530 36.344 1.00 87.23 B H +ATOM 680 HB2 GLU B 43 -33.953 -8.703 37.038 1.00 89.69 B H +ATOM 681 HB3 GLU B 43 -34.705 -7.844 38.145 1.00 89.69 B H +ATOM 682 HG2 GLU B 43 -36.395 -9.301 38.318 1.00 97.64 B H +ATOM 683 HG3 GLU B 43 -36.339 -9.687 36.786 1.00 97.64 B H +ATOM 684 N ASP B 44 -34.066 -5.434 37.008 1.00 80.48 B N +ATOM 685 CA ASP B 44 -33.783 -3.973 37.001 1.00 91.70 B C +ATOM 686 C ASP B 44 -32.552 -3.681 36.132 1.00 86.43 B C +ATOM 687 O ASP B 44 -32.168 -2.521 36.042 1.00 80.85 B O +ATOM 688 CB ASP B 44 -33.724 -3.405 38.424 1.00103.96 B C +ATOM 689 CG ASP B 44 -32.697 -4.037 39.343 1.00114.95 B C +ATOM 690 OD1 ASP B 44 -31.692 -4.575 38.825 1.00125.40 B O +ATOM 691 OD2 ASP B 44 -32.919 -3.984 40.577 1.00122.28 B O +ATOM 692 H ASP B 44 -33.548 -6.033 37.635 1.00 80.48 B H +ATOM 693 HA ASP B 44 -34.559 -3.506 36.610 1.00 91.70 B H +ATOM 694 HB2 ASP B 44 -33.503 -2.453 38.369 1.00103.96 B H +ATOM 695 HB3 ASP B 44 -34.597 -3.536 38.847 1.00103.96 B H +ATOM 696 N LYS B 45 -31.949 -4.676 35.486 1.00 85.75 B N +ATOM 697 CA LYS B 45 -30.684 -4.457 34.732 1.00 88.75 B C +ATOM 698 C LYS B 45 -31.024 -4.087 33.280 1.00 75.34 B C +ATOM 699 O LYS B 45 -31.950 -4.701 32.705 1.00 74.72 B O +ATOM 700 CB LYS B 45 -29.774 -5.683 34.881 1.00 95.14 B C +ATOM 701 CG LYS B 45 -29.390 -6.011 36.320 1.00 97.79 B C +ATOM 702 CD LYS B 45 -28.236 -6.990 36.454 1.00102.60 B C +ATOM 703 CE LYS B 45 -28.683 -8.436 36.480 1.00102.50 B C +ATOM 704 NZ LYS B 45 -27.546 -9.388 36.420 1.00106.10 B N +ATOM 705 H LYS B 45 -32.356 -5.600 35.506 1.00 85.75 B H +ATOM 706 HA LYS B 45 -30.198 -3.707 35.147 1.00 88.75 B H +ATOM 707 HB2 LYS B 45 -30.226 -6.457 34.485 1.00 95.14 B H +ATOM 708 HB3 LYS B 45 -28.959 -5.532 34.357 1.00 95.14 B H +ATOM 709 HG2 LYS B 45 -29.141 -5.178 36.775 1.00 97.79 B H +ATOM 710 HG3 LYS B 45 -30.171 -6.393 36.773 1.00 97.79 B H +ATOM 711 HD2 LYS B 45 -27.619 -6.862 35.702 1.00102.60 B H +ATOM 712 HD3 LYS B 45 -27.745 -6.795 37.281 1.00102.60 B H +ATOM 713 HE2 LYS B 45 -29.187 -8.608 37.298 1.00102.50 B H +ATOM 714 HE3 LYS B 45 -29.272 -8.610 35.722 1.00102.50 B H +ATOM 715 HZ1 LYS B 45 -27.076 -9.257 35.655 1.00106.10 B H +ATOM 716 HZ2 LYS B 45 -27.857 -10.240 36.440 1.00106.10 B H +ATOM 717 HZ3 LYS B 45 -26.998 -9.256 37.130 1.00106.10 B H +ATOM 718 N ASN B 46 -30.358 -3.069 32.732 1.00 72.69 B N +ATOM 719 CA ASN B 46 -30.485 -2.721 31.297 1.00 69.41 B C +ATOM 720 C ASN B 46 -29.439 -3.533 30.537 1.00 71.15 B C +ATOM 721 O ASN B 46 -28.275 -3.542 30.971 1.00 73.49 B O +ATOM 722 CB ASN B 46 -30.304 -1.241 30.972 1.00 73.84 B C +ATOM 723 CG ASN B 46 -30.283 -1.020 29.466 1.00 83.76 B C +ATOM 724 ND2 ASN B 46 -31.439 -1.157 28.831 1.00 79.89 B N +ATOM 725 OD1 ASN B 46 -29.223 -0.811 28.861 1.00 85.31 B O +ATOM 726 H ASN B 46 -29.747 -2.520 33.320 1.00 72.69 B H +ATOM 727 HA ASN B 46 -31.388 -2.974 30.993 1.00 69.41 B H +ATOM 728 HB2 ASN B 46 -31.037 -0.735 31.379 1.00 73.84 B H +ATOM 729 HB3 ASN B 46 -29.467 -0.928 31.372 1.00 73.84 B H +ATOM 730 HD21 ASN B 46 -31.480 -1.039 27.956 1.00 79.89 B H +ATOM 731 HD22 ASN B 46 -32.169 -1.366 29.282 1.00 79.89 B H +ATOM 732 N ILE B 47 -29.840 -4.163 29.436 1.00 62.05 B N +ATOM 733 CA ILE B 47 -28.948 -5.036 28.634 1.00 65.41 B C +ATOM 734 C ILE B 47 -28.655 -4.324 27.316 1.00 64.14 B C +ATOM 735 O ILE B 47 -27.483 -4.147 26.966 1.00 65.41 B O +ATOM 736 CB ILE B 47 -29.618 -6.405 28.433 1.00 65.69 B C +ATOM 737 CG1 ILE B 47 -29.971 -7.050 29.779 1.00 61.35 B C +ATOM 738 CG2 ILE B 47 -28.743 -7.300 27.568 1.00 68.54 B C +ATOM 739 CD1 ILE B 47 -30.835 -8.294 29.681 1.00 61.69 B C +ATOM 740 H ILE B 47 -30.798 -4.034 29.142 1.00 62.05 B H +ATOM 741 HA ILE B 47 -28.113 -5.154 29.122 1.00 65.41 B H +ATOM 742 HB ILE B 47 -30.466 -6.251 27.948 1.00 65.69 B H +ATOM 743 HG12 ILE B 47 -29.139 -7.288 30.241 1.00 61.35 B H +ATOM 744 HG13 ILE B 47 -30.443 -6.390 30.330 1.00 61.35 B H +ATOM 745 HG21 ILE B 47 -28.610 -6.885 26.698 1.00 68.54 B H +ATOM 746 HG22 ILE B 47 -29.177 -8.162 27.445 1.00 68.54 B H +ATOM 747 HG23 ILE B 47 -27.881 -7.431 27.999 1.00 68.54 B H +ATOM 748 HD11 ILE B 47 -31.677 -8.072 29.248 1.00 61.69 B H +ATOM 749 HD12 ILE B 47 -31.012 -8.639 30.573 1.00 61.69 B H +ATOM 750 HD13 ILE B 47 -30.372 -8.972 29.159 1.00 61.69 B H +ATOM 751 N ILE B 48 -29.708 -3.957 26.604 1.00 67.09 B N +ATOM 752 CA ILE B 48 -29.610 -3.304 25.273 1.00 70.14 B C +ATOM 753 C ILE B 48 -30.538 -2.100 25.265 1.00 66.61 B C +ATOM 754 O ILE B 48 -31.705 -2.261 25.634 1.00 63.60 B O +ATOM 755 CB ILE B 48 -29.988 -4.292 24.159 1.00 71.63 B C +ATOM 756 CG1 ILE B 48 -28.977 -5.435 24.053 1.00 72.76 B C +ATOM 757 CG2 ILE B 48 -30.163 -3.556 22.842 1.00 76.91 B C +ATOM 758 CD1 ILE B 48 -27.555 -4.993 23.806 1.00 68.49 B C +ATOM 759 H ILE B 48 -30.620 -4.136 26.999 1.00 67.09 B H +ATOM 760 HA ILE B 48 -28.694 -2.995 25.149 1.00 70.14 B H +ATOM 761 HB ILE B 48 -30.859 -4.692 24.401 1.00 71.63 B H +ATOM 762 HG12 ILE B 48 -29.000 -5.954 24.885 1.00 72.76 B H +ATOM 763 HG13 ILE B 48 -29.249 -6.028 23.321 1.00 72.76 B H +ATOM 764 HG21 ILE B 48 -30.870 -2.894 22.929 1.00 76.91 B H +ATOM 765 HG22 ILE B 48 -30.405 -4.188 22.143 1.00 76.91 B H +ATOM 766 HG23 ILE B 48 -29.331 -3.111 22.602 1.00 76.91 B H +ATOM 767 HD11 ILE B 48 -27.508 -4.497 22.970 1.00 68.49 B H +ATOM 768 HD12 ILE B 48 -26.976 -5.773 23.751 1.00 68.49 B H +ATOM 769 HD13 ILE B 48 -27.259 -4.422 24.537 1.00 68.49 B H +ATOM 770 N GLN B 49 -30.018 -0.959 24.839 1.00 76.89 B N +ATOM 771 CA GLN B 49 -30.787 0.290 24.641 1.00 76.96 B C +ATOM 772 C GLN B 49 -30.442 0.773 23.232 1.00 78.97 B C +ATOM 773 O GLN B 49 -29.351 1.345 23.057 1.00 73.26 B O +ATOM 774 CB GLN B 49 -30.438 1.262 25.768 1.00 86.21 B C +ATOM 775 CG GLN B 49 -30.895 2.692 25.527 1.00 99.84 B C +ATOM 776 CD GLN B 49 -30.983 3.471 26.815 1.00 98.88 B C +ATOM 777 NE2 GLN B 49 -30.722 4.767 26.742 1.00 90.50 B N +ATOM 778 OE1 GLN B 49 -31.280 2.911 27.869 1.00105.91 B O +ATOM 779 H GLN B 49 -29.027 -0.964 24.642 1.00 76.89 B H +ATOM 780 HA GLN B 49 -31.747 0.079 24.707 1.00 76.96 B H +ATOM 781 HB2 GLN B 49 -30.846 0.937 26.597 1.00 86.21 B H +ATOM 782 HB3 GLN B 49 -29.466 1.259 25.892 1.00 86.21 B H +ATOM 783 HG2 GLN B 49 -30.263 3.135 24.921 1.00 99.84 B H +ATOM 784 HG3 GLN B 49 -31.774 2.681 25.092 1.00 99.84 B H +ATOM 785 HE21 GLN B 49 -30.760 5.268 27.470 1.00 90.50 B H +ATOM 786 HE22 GLN B 49 -30.509 5.132 25.966 1.00 90.50 B H +ATOM 787 N PHE B 50 -31.288 0.451 22.251 1.00 69.41 B N +ATOM 788 CA PHE B 50 -31.044 0.772 20.826 1.00 68.18 B C +ATOM 789 C PHE B 50 -31.989 1.906 20.437 1.00 67.25 B C +ATOM 790 O PHE B 50 -33.202 1.653 20.436 1.00 62.87 B O +ATOM 791 CB PHE B 50 -31.250 -0.470 19.958 1.00 69.54 B C +ATOM 792 CG PHE B 50 -30.763 -0.340 18.540 1.00 72.58 B C +ATOM 793 CD1 PHE B 50 -29.409 -0.432 18.240 1.00 80.35 B C +ATOM 794 CD2 PHE B 50 -31.656 -0.113 17.505 1.00 72.17 B C +ATOM 795 CE1 PHE B 50 -28.964 -0.304 16.933 1.00 82.01 B C +ATOM 796 CE2 PHE B 50 -31.208 0.002 16.195 1.00 70.47 B C +ATOM 797 CZ PHE B 50 -29.866 -0.097 15.911 1.00 71.27 B C +ATOM 798 H PHE B 50 -32.134 -0.037 22.508 1.00 69.41 B H +ATOM 799 HA PHE B 50 -30.107 1.079 20.727 1.00 68.18 B H +ATOM 800 HB2 PHE B 50 -30.789 -1.224 20.382 1.00 69.54 B H +ATOM 801 HB3 PHE B 50 -32.206 -0.684 19.945 1.00 69.54 B H +ATOM 802 HD1 PHE B 50 -28.786 -0.578 18.934 1.00 80.35 B H +ATOM 803 HD2 PHE B 50 -32.578 -0.036 17.694 1.00 72.17 B H +ATOM 804 HE1 PHE B 50 -28.041 -0.369 16.743 1.00 82.01 B H +ATOM 805 HE2 PHE B 50 -31.827 0.144 15.497 1.00 70.47 B H +ATOM 806 HZ PHE B 50 -29.560 -0.010 15.022 1.00 71.27 B H +ATOM 807 N VAL B 51 -31.430 3.084 20.129 1.00 70.71 B N +ATOM 808 CA VAL B 51 -32.158 4.349 19.792 1.00 72.99 B C +ATOM 809 C VAL B 51 -31.397 5.130 18.699 1.00 67.80 B C +ATOM 810 O VAL B 51 -30.163 5.300 18.822 1.00 63.65 B O +ATOM 811 CB VAL B 51 -32.303 5.213 21.058 1.00 71.70 B C +ATOM 812 CG1 VAL B 51 -32.880 6.582 20.738 1.00 77.61 B C +ATOM 813 CG2 VAL B 51 -33.135 4.520 22.125 1.00 74.09 B C +ATOM 814 H VAL B 51 -30.420 3.083 20.134 1.00 70.71 B H +ATOM 815 HA VAL B 51 -33.033 4.114 19.436 1.00 72.99 B H +ATOM 816 HB VAL B 51 -31.395 5.346 21.427 1.00 71.70 B H +ATOM 817 HG11 VAL B 51 -32.292 7.045 20.116 1.00 77.61 B H +ATOM 818 HG12 VAL B 51 -32.959 7.101 21.557 1.00 77.61 B H +ATOM 819 HG13 VAL B 51 -33.760 6.478 20.335 1.00 77.61 B H +ATOM 820 HG21 VAL B 51 -34.025 4.339 21.776 1.00 74.09 B H +ATOM 821 HG22 VAL B 51 -33.204 5.094 22.907 1.00 74.09 B H +ATOM 822 HG23 VAL B 51 -32.709 3.682 22.376 1.00 74.09 B H +ATOM 823 N HIS B 52 -32.102 5.669 17.704 1.00 67.44 B N +ATOM 824 CA HIS B 52 -31.464 6.418 16.591 1.00 74.71 B C +ATOM 825 C HIS B 52 -30.384 5.536 15.956 1.00 82.84 B C +ATOM 826 O HIS B 52 -29.251 6.032 15.799 1.00 73.28 B O +ATOM 827 CB HIS B 52 -30.869 7.738 17.116 1.00 74.60 B C +ATOM 828 CG HIS B 52 -31.873 8.598 17.805 1.00 70.16 B C +ATOM 829 CD2 HIS B 52 -33.227 8.631 17.704 1.00 61.07 B C +ATOM 830 ND1 HIS B 52 -31.515 9.541 18.743 1.00 66.95 B N +ATOM 831 CE1 HIS B 52 -32.605 10.133 19.185 1.00 68.21 B C +ATOM 832 NE2 HIS B 52 -33.674 9.573 18.575 1.00 59.56 B N +ATOM 833 H HIS B 52 -33.106 5.561 17.713 1.00 67.44 B H +ATOM 834 HA HIS B 52 -32.155 6.607 15.914 1.00 74.71 B H +ATOM 835 HB2 HIS B 52 -30.140 7.529 17.742 1.00 74.60 B H +ATOM 836 HB3 HIS B 52 -30.485 8.235 16.359 1.00 74.60 B H +ATOM 837 HD1 HIS B 52 -30.696 9.710 19.005 0.00 66.95 B H +ATOM 838 HD2 HIS B 52 -33.760 8.103 17.139 1.00 61.07 B H +ATOM 839 HE1 HIS B 52 -32.636 10.816 19.832 1.00 68.21 B H +ATOM 840 HE2 HIS B 52 -34.511 9.800 18.706 0.00 59.56 B H +ATOM 841 N GLY B 53 -30.715 4.258 15.712 1.00 96.55 B N +ATOM 842 CA GLY B 53 -29.891 3.259 14.994 1.00 95.25 B C +ATOM 843 C GLY B 53 -28.553 2.929 15.650 1.00 86.98 B C +ATOM 844 O GLY B 53 -27.634 2.530 14.929 1.00 97.19 B O +ATOM 845 H GLY B 53 -31.621 3.986 16.067 1.00 96.55 B H +ATOM 846 HA2 GLY B 53 -30.402 2.415 14.915 1.00 95.25 B H +ATOM 847 HA3 GLY B 53 -29.703 3.591 14.081 1.00 95.25 B H +ATOM 848 N GLU B 54 -28.436 3.044 16.968 1.00 88.93 B N +ATOM 849 CA GLU B 54 -27.153 2.860 17.689 1.00 93.76 B C +ATOM 850 C GLU B 54 -27.478 2.362 19.098 1.00 98.50 B C +ATOM 851 O GLU B 54 -28.630 2.511 19.511 1.00 98.58 B O +ATOM 852 CB GLU B 54 -26.363 4.173 17.705 1.00 97.26 B C +ATOM 853 CG GLU B 54 -24.858 3.979 17.599 1.00115.47 B C +ATOM 854 CD GLU B 54 -24.030 5.202 17.216 1.00123.19 B C +ATOM 855 OE1 GLU B 54 -24.422 6.346 17.576 1.00104.23 B O +ATOM 856 OE2 GLU B 54 -22.978 5.005 16.554 1.00119.39 B O +ATOM 857 H GLU B 54 -29.269 3.268 17.494 1.00 88.93 B H +ATOM 858 HA GLU B 54 -26.622 2.180 17.213 1.00 93.76 B H +ATOM 859 HB2 GLU B 54 -26.664 4.727 16.955 1.00 97.26 B H +ATOM 860 HB3 GLU B 54 -26.563 4.647 18.539 1.00 97.26 B H +ATOM 861 HG2 GLU B 54 -24.518 3.656 18.461 1.00115.47 B H +ATOM 862 HG3 GLU B 54 -24.673 3.283 16.932 1.00115.47 B H +ATOM 863 N GLU B 55 -26.499 1.773 19.783 1.00103.69 B N +ATOM 864 CA GLU B 55 -26.611 1.315 21.190 1.00 96.71 B C +ATOM 865 C GLU B 55 -25.999 2.381 22.102 1.00 98.76 B C +ATOM 866 O GLU B 55 -24.953 2.936 21.729 1.00 87.90 B O +ATOM 867 CB GLU B 55 -25.864 0.001 21.414 1.00 92.35 B C +ATOM 868 CG GLU B 55 -26.573 -1.240 20.906 1.00 99.88 B C +ATOM 869 CD GLU B 55 -25.971 -2.537 21.436 1.00110.11 B C +ATOM 870 OE1 GLU B 55 -25.765 -3.481 20.624 1.00109.27 B O +ATOM 871 OE2 GLU B 55 -25.702 -2.605 22.667 1.00114.54 B O +ATOM 872 H GLU B 55 -25.628 1.639 19.289 1.00103.69 B H +ATOM 873 HA GLU B 55 -27.566 1.212 21.410 1.00 96.71 B H +ATOM 874 HB2 GLU B 55 -24.994 0.057 20.966 1.00 92.35 B H +ATOM 875 HB3 GLU B 55 -25.711 -0.111 22.375 1.00 92.35 B H +ATOM 876 HG2 GLU B 55 -27.518 -1.195 21.165 1.00 99.88 B H +ATOM 877 HG3 GLU B 55 -26.539 -1.247 19.926 1.00 99.88 B H +ATOM 878 N ASP B 56 -26.624 2.629 23.256 1.00 99.20 B N +ATOM 879 CA ASP B 56 -26.024 3.391 24.380 1.00105.79 B C +ATOM 880 C ASP B 56 -25.415 2.371 25.348 1.00101.67 B C +ATOM 881 O ASP B 56 -26.173 1.746 26.117 1.00107.12 B O +ATOM 882 CB ASP B 56 -27.050 4.321 25.039 1.00109.28 B C +ATOM 883 CG ASP B 56 -26.420 5.494 25.776 1.00122.17 B C +ATOM 884 OD1 ASP B 56 -25.309 5.318 26.324 1.00117.21 B O +ATOM 885 OD2 ASP B 56 -27.034 6.585 25.781 1.00131.44 B O +ATOM 886 H ASP B 56 -27.562 2.268 23.351 1.00 99.20 B H +ATOM 887 HA ASP B 56 -25.314 3.973 24.020 1.00105.79 B H +ATOM 888 HB2 ASP B 56 -27.633 4.684 24.341 1.00109.28 B H +ATOM 889 HB3 ASP B 56 -27.567 3.802 25.689 1.00109.28 B H +ATOM 890 N LEU B 57 -24.094 2.192 25.291 1.00 99.79 B N +ATOM 891 CA LEU B 57 -23.364 1.240 26.168 1.00101.36 B C +ATOM 892 C LEU B 57 -23.279 1.808 27.585 1.00 99.70 B C +ATOM 893 O LEU B 57 -23.261 1.012 28.534 1.00108.76 B O +ATOM 894 CB LEU B 57 -21.968 0.956 25.601 1.00103.24 B C +ATOM 895 CG LEU B 57 -21.881 -0.154 24.544 1.00114.10 B C +ATOM 896 CD1 LEU B 57 -22.883 -1.288 24.795 1.00108.64 B C +ATOM 897 CD2 LEU B 57 -22.057 0.412 23.144 1.00107.70 B C +ATOM 898 H LEU B 57 -23.576 2.735 24.615 1.00 99.79 B H +ATOM 899 HA LEU B 57 -23.867 0.394 26.198 1.00101.36 B H +ATOM 900 HB2 LEU B 57 -21.623 1.781 25.205 1.00103.24 B H +ATOM 901 HB3 LEU B 57 -21.377 0.717 26.343 1.00103.24 B H +ATOM 902 HG LEU B 57 -20.981 -0.559 24.599 1.00114.10 B H +ATOM 903 HD11 LEU B 57 -22.709 -1.689 25.664 1.00108.64 B H +ATOM 904 HD12 LEU B 57 -22.789 -1.963 24.101 1.00108.64 B H +ATOM 905 HD13 LEU B 57 -23.788 -0.931 24.779 1.00108.64 B H +ATOM 906 HD21 LEU B 57 -22.927 0.842 23.075 1.00107.70 B H +ATOM 907 HD22 LEU B 57 -21.997 -0.308 22.493 1.00107.70 B H +ATOM 908 HD23 LEU B 57 -21.358 1.066 22.968 1.00107.70 B H +ATOM 909 N LYS B 58 -23.273 3.132 27.725 1.00111.96 B N +ATOM 910 CA LYS B 58 -23.064 3.824 29.025 1.00117.33 B C +ATOM 911 C LYS B 58 -24.142 3.408 30.040 1.00111.02 B C +ATOM 912 O LYS B 58 -23.884 3.586 31.239 1.00110.29 B O +ATOM 913 CB LYS B 58 -23.005 5.340 28.806 1.00124.68 B C +ATOM 914 CG LYS B 58 -21.863 5.791 27.900 1.00130.01 B C +ATOM 915 CD LYS B 58 -21.351 7.199 28.158 1.00132.13 B C +ATOM 916 CE LYS B 58 -22.052 8.265 27.337 1.00133.76 B C +ATOM 917 NZ LYS B 58 -21.239 9.501 27.224 1.00124.29 B N +ATOM 918 H LYS B 58 -23.420 3.683 26.892 1.00111.96 B H +ATOM 919 HA LYS B 58 -22.186 3.557 29.383 1.00117.33 B H +ATOM 920 HB2 LYS B 58 -23.858 5.633 28.424 1.00124.68 B H +ATOM 921 HB3 LYS B 58 -22.920 5.778 29.678 1.00124.68 B H +ATOM 922 HG2 LYS B 58 -21.111 5.172 28.013 1.00130.01 B H +ATOM 923 HG3 LYS B 58 -22.167 5.747 26.968 1.00130.01 B H +ATOM 924 HD2 LYS B 58 -21.466 7.412 29.109 1.00132.13 B H +ATOM 925 HD3 LYS B 58 -20.391 7.232 27.957 1.00132.13 B H +ATOM 926 HE2 LYS B 58 -22.232 7.922 26.441 1.00133.76 B H +ATOM 927 HE3 LYS B 58 -22.908 8.486 27.751 1.00133.76 B H +ATOM 928 HZ1 LYS B 58 -21.078 9.839 28.050 1.00124.29 B H +ATOM 929 HZ2 LYS B 58 -21.683 10.116 26.727 1.00124.29 B H +ATOM 930 HZ3 LYS B 58 -20.448 9.312 26.823 1.00124.29 B H +ATOM 931 N VAL B 59 -25.268 2.832 29.595 1.00105.53 B N +ATOM 932 CA VAL B 59 -26.468 2.528 30.437 1.00 98.16 B C +ATOM 933 C VAL B 59 -26.573 1.017 30.730 1.00 96.78 B C +ATOM 934 O VAL B 59 -27.347 0.632 31.638 1.00 82.06 B O +ATOM 935 CB VAL B 59 -27.736 3.060 29.744 1.00108.47 B C +ATOM 936 CG1 VAL B 59 -28.944 3.026 30.665 1.00112.19 B C +ATOM 937 CG2 VAL B 59 -27.526 4.468 29.199 1.00112.76 B C +ATOM 938 H VAL B 59 -25.282 2.595 28.613 1.00105.53 B H +ATOM 939 HA VAL B 59 -26.368 2.985 31.291 1.00 98.16 B H +ATOM 940 HB VAL B 59 -27.922 2.465 28.976 1.00108.47 B H +ATOM 941 HG11 VAL B 59 -29.113 2.110 30.946 1.00112.19 B H +ATOM 942 HG12 VAL B 59 -29.722 3.369 30.193 1.00112.19 B H +ATOM 943 HG13 VAL B 59 -28.771 3.578 31.448 1.00112.19 B H +ATOM 944 HG21 VAL B 59 -27.299 5.069 29.930 1.00112.76 B H +ATOM 945 HG22 VAL B 59 -28.343 4.775 28.768 1.00112.76 B H +ATOM 946 HG23 VAL B 59 -26.801 4.460 28.550 1.00112.76 B H +ATOM 947 N GLN B 60 -25.815 0.185 30.012 1.00 88.70 B N +ATOM 948 CA GLN B 60 -25.789 -1.297 30.165 1.00 86.86 B C +ATOM 949 C GLN B 60 -25.192 -1.700 31.517 1.00 85.52 B C +ATOM 950 O GLN B 60 -24.078 -1.244 31.845 1.00 90.29 B O +ATOM 951 CB GLN B 60 -24.919 -1.881 29.059 1.00 86.26 B C +ATOM 952 CG GLN B 60 -24.884 -3.392 28.988 1.00 86.54 B C +ATOM 953 CD GLN B 60 -24.053 -3.764 27.786 1.00 81.79 B C +ATOM 954 NE2 GLN B 60 -24.694 -4.334 26.782 1.00 76.53 B N +ATOM 955 OE1 GLN B 60 -22.856 -3.494 27.737 1.00 85.79 B O +ATOM 956 H GLN B 60 -25.223 0.619 29.318 1.00 88.70 B H +ATOM 957 HA GLN B 60 -26.715 -1.631 30.130 1.00 86.86 B H +ATOM 958 HB2 GLN B 60 -25.241 -1.543 28.197 1.00 86.26 B H +ATOM 959 HB3 GLN B 60 -24.001 -1.560 29.182 1.00 86.26 B H +ATOM 960 HG2 GLN B 60 -24.497 -3.745 29.817 1.00 86.54 B H +ATOM 961 HG3 GLN B 60 -25.801 -3.733 28.913 1.00 86.54 B H +ATOM 962 HE21 GLN B 60 -24.253 -4.572 26.054 1.00 76.53 B H +ATOM 963 HE22 GLN B 60 -25.564 -4.478 26.838 1.00 76.53 B H +ATOM 964 N HIS B 61 -25.868 -2.575 32.258 1.00 85.47 B N +ATOM 965 CA HIS B 61 -25.314 -3.153 33.507 1.00 80.88 B C +ATOM 966 C HIS B 61 -23.998 -3.864 33.162 1.00 79.23 B C +ATOM 967 O HIS B 61 -23.900 -4.488 32.075 1.00 75.51 B O +ATOM 968 CB HIS B 61 -26.349 -4.039 34.198 1.00 80.01 B C +ATOM 969 CG HIS B 61 -25.982 -4.329 35.608 1.00 90.15 B C +ATOM 970 CD2 HIS B 61 -26.273 -3.685 36.757 1.00 94.06 B C +ATOM 971 ND1 HIS B 61 -25.164 -5.384 35.949 1.00 98.77 B N +ATOM 972 CE1 HIS B 61 -24.984 -5.393 37.255 1.00 97.32 B C +ATOM 973 NE2 HIS B 61 -25.651 -4.361 37.775 1.00 96.08 B N +ATOM 974 H HIS B 61 -26.791 -2.852 31.954 1.00 85.47 B H +ATOM 975 HA HIS B 61 -25.124 -2.412 34.129 1.00 80.88 B H +ATOM 976 HB2 HIS B 61 -27.221 -3.587 34.170 1.00 80.01 B H +ATOM 977 HB3 HIS B 61 -26.428 -4.881 33.697 1.00 80.01 B H +ATOM 978 HD1 HIS B 61 -24.805 -5.950 35.385 0.00 98.77 B H +ATOM 979 HD2 HIS B 61 -26.803 -2.915 36.848 1.00 94.06 B H +ATOM 980 HE1 HIS B 61 -24.464 -6.016 37.734 1.00 97.32 B H +ATOM 981 HE2 HIS B 61 -25.685 -4.154 38.627 0.00 96.08 B H +ATOM 982 N SER B 62 -22.990 -3.726 34.020 1.00 84.90 B N +ATOM 983 CA SER B 62 -21.620 -4.259 33.789 1.00 92.92 B C +ATOM 984 C SER B 62 -21.656 -5.778 33.547 1.00 89.83 B C +ATOM 985 O SER B 62 -20.895 -6.248 32.681 1.00 88.04 B O +ATOM 986 CB SER B 62 -20.662 -3.869 34.909 1.00 93.41 B C +ATOM 987 OG SER B 62 -21.282 -3.898 36.191 1.00 91.58 B O +ATOM 988 H SER B 62 -23.186 -3.226 34.875 1.00 84.90 B H +ATOM 989 HA SER B 62 -21.259 -3.832 32.973 1.00 92.92 B H +ATOM 990 HB2 SER B 62 -19.895 -4.494 34.916 1.00 93.41 B H +ATOM 991 HB3 SER B 62 -20.321 -2.955 34.745 1.00 93.41 B H +ATOM 992 HG SER B 62 -20.714 -3.676 36.767 0.00 91.58 B H +ATOM 993 N SER B 63 -22.544 -6.512 34.226 1.00 84.68 B N +ATOM 994 CA SER B 63 -22.604 -7.998 34.174 1.00 88.54 B C +ATOM 995 C SER B 63 -22.938 -8.468 32.757 1.00 91.11 B C +ATOM 996 O SER B 63 -22.783 -9.660 32.512 1.00 92.18 B O +ATOM 997 CB SER B 63 -23.600 -8.541 35.152 1.00 91.75 B C +ATOM 998 OG SER B 63 -24.892 -8.056 34.841 1.00 95.59 B O +ATOM 999 H SER B 63 -23.205 -6.012 34.803 1.00 84.68 B H +ATOM 1000 HA SER B 63 -21.710 -8.349 34.410 1.00 88.54 B H +ATOM 1001 HB2 SER B 63 -23.592 -9.529 35.112 1.00 91.75 B H +ATOM 1002 HB3 SER B 63 -23.346 -8.261 36.066 1.00 91.75 B H +ATOM 1003 HG SER B 63 -25.436 -8.370 35.398 0.00 95.59 B H +ATOM 1004 N TYR B 64 -23.404 -7.569 31.881 1.00 93.12 B N +ATOM 1005 CA TYR B 64 -23.790 -7.868 30.477 1.00 82.37 B C +ATOM 1006 C TYR B 64 -22.786 -7.210 29.530 1.00 86.61 B C +ATOM 1007 O TYR B 64 -23.065 -7.128 28.326 1.00 84.56 B O +ATOM 1008 CB TYR B 64 -25.232 -7.430 30.197 1.00 67.93 B C +ATOM 1009 CG TYR B 64 -26.273 -8.279 30.883 1.00 70.71 B C +ATOM 1010 CD1 TYR B 64 -26.470 -9.587 30.486 1.00 71.85 B C +ATOM 1011 CD2 TYR B 64 -27.042 -7.808 31.942 1.00 71.99 B C +ATOM 1012 CE1 TYR B 64 -27.413 -10.402 31.087 1.00 78.49 B C +ATOM 1013 CE2 TYR B 64 -27.983 -8.621 32.569 1.00 70.46 B C +ATOM 1014 CZ TYR B 64 -28.172 -9.923 32.134 1.00 73.25 B C +ATOM 1015 OH TYR B 64 -29.062 -10.796 32.686 1.00 76.73 B O +ATOM 1016 H TYR B 64 -23.490 -6.623 32.225 1.00 93.12 B H +ATOM 1017 HA TYR B 64 -23.756 -8.849 30.342 1.00 82.37 B H +ATOM 1018 HB2 TYR B 64 -25.334 -6.498 30.483 1.00 67.93 B H +ATOM 1019 HB3 TYR B 64 -25.381 -7.455 29.229 1.00 67.93 B H +ATOM 1020 HD1 TYR B 64 -25.948 -9.940 29.784 1.00 71.85 B H +ATOM 1021 HD2 TYR B 64 -26.926 -6.922 32.243 1.00 71.99 B H +ATOM 1022 HE1 TYR B 64 -27.526 -11.292 30.795 1.00 78.49 B H +ATOM 1023 HE2 TYR B 64 -28.497 -8.283 33.284 1.00 70.46 B H +ATOM 1024 HH TYR B 64 -29.019 -11.553 32.283 0.00 76.73 B H +ATOM 1025 N ARG B 65 -21.626 -6.795 30.038 1.00 93.51 B N +ATOM 1026 CA ARG B 65 -20.643 -6.051 29.209 1.00107.88 B C +ATOM 1027 C ARG B 65 -19.826 -7.050 28.390 1.00102.55 B C +ATOM 1028 O ARG B 65 -19.250 -7.980 28.984 1.00 93.99 B O +ATOM 1029 CB ARG B 65 -19.727 -5.164 30.056 1.00119.50 B C +ATOM 1030 CG ARG B 65 -18.710 -4.374 29.241 1.00128.26 B C +ATOM 1031 CD ARG B 65 -18.291 -3.061 29.882 1.00135.82 B C +ATOM 1032 NE ARG B 65 -19.245 -1.993 29.583 1.00154.48 B N +ATOM 1033 CZ ARG B 65 -20.219 -1.556 30.389 1.00158.15 B C +ATOM 1034 NH1 ARG B 65 -20.391 -2.073 31.595 1.00149.59 B N +ATOM 1035 NH2 ARG B 65 -21.021 -0.584 29.983 1.00157.19 B N +ATOM 1036 H ARG B 65 -21.408 -6.989 31.005 1.00 93.51 B H +ATOM 1037 HA ARG B 65 -21.138 -5.458 28.591 1.00107.88 B H +ATOM 1038 HB2 ARG B 65 -20.288 -4.531 30.569 1.00119.50 B H +ATOM 1039 HB3 ARG B 65 -19.245 -5.736 30.703 1.00119.50 B H +ATOM 1040 HG2 ARG B 65 -17.899 -4.925 29.109 1.00128.26 B H +ATOM 1041 HG3 ARG B 65 -19.090 -4.174 28.350 1.00128.26 B H +ATOM 1042 HD2 ARG B 65 -18.224 -3.184 30.861 1.00135.82 B H +ATOM 1043 HD3 ARG B 65 -17.394 -2.809 29.551 1.00135.82 B H +ATOM 1044 HE ARG B 65 -19.181 -1.584 28.785 1.00154.48 B H +ATOM 1045 HH11 ARG B 65 -19.847 -2.729 31.882 1.00149.59 B H +ATOM 1046 HH12 ARG B 65 -21.051 -1.767 32.123 1.00149.59 B H +ATOM 1047 HH21 ARG B 65 -20.908 -0.222 29.168 1.00157.19 B H +ATOM 1048 HH22 ARG B 65 -21.676 -0.289 30.523 1.00157.19 B H +ATOM 1049 N GLN B 66 -19.778 -6.839 27.074 1.00 93.62 B N +ATOM 1050 CA GLN B 66 -18.923 -7.600 26.138 1.00 93.55 B C +ATOM 1051 C GLN B 66 -19.642 -8.899 25.773 1.00 88.28 B C +ATOM 1052 O GLN B 66 -19.227 -9.526 24.795 1.00 88.34 B O +ATOM 1053 CB GLN B 66 -17.544 -7.863 26.763 1.00112.10 B C +ATOM 1054 CG GLN B 66 -16.365 -7.478 25.870 1.00125.40 B C +ATOM 1055 CD GLN B 66 -16.017 -6.008 25.942 1.00125.92 B C +ATOM 1056 NE2 GLN B 66 -16.425 -5.254 24.929 1.00112.48 B N +ATOM 1057 OE1 GLN B 66 -15.375 -5.552 26.888 1.00123.49 B O +ATOM 1058 H GLN B 66 -20.373 -6.107 26.713 1.00 93.62 B H +ATOM 1059 HA GLN B 66 -18.795 -7.061 25.324 1.00 93.55 B H +ATOM 1060 HB2 GLN B 66 -17.481 -7.360 27.602 1.00112.10 B H +ATOM 1061 HB3 GLN B 66 -17.477 -8.816 26.980 1.00112.10 B H +ATOM 1062 HG2 GLN B 66 -15.577 -7.999 26.134 1.00125.40 B H +ATOM 1063 HG3 GLN B 66 -16.578 -7.703 24.939 1.00125.40 B H +ATOM 1064 HE21 GLN B 66 -16.247 -4.388 24.922 1.00112.48 B H +ATOM 1065 HE22 GLN B 66 -16.875 -5.617 24.260 1.00112.48 B H +ATOM 1066 N ARG B 67 -20.695 -9.278 26.501 1.00 85.00 B N +ATOM 1067 CA ARG B 67 -21.333 -10.616 26.351 1.00 82.78 B C +ATOM 1068 C ARG B 67 -22.733 -10.464 25.742 1.00 70.30 B C +ATOM 1069 O ARG B 67 -23.325 -11.473 25.399 1.00 77.09 B O +ATOM 1070 CB ARG B 67 -21.329 -11.399 27.675 1.00 82.93 B C +ATOM 1071 CG ARG B 67 -21.630 -10.587 28.927 1.00 89.33 B C +ATOM 1072 CD ARG B 67 -21.255 -11.349 30.188 1.00 86.98 B C +ATOM 1073 NE ARG B 67 -21.890 -12.646 30.139 1.00 75.40 B N +ATOM 1074 CZ ARG B 67 -23.039 -12.988 30.721 1.00 69.09 B C +ATOM 1075 NH1 ARG B 67 -23.719 -12.147 31.480 1.00 65.03 B N +ATOM 1076 NH2 ARG B 67 -23.500 -14.214 30.535 1.00 71.29 B N +ATOM 1077 H ARG B 67 -21.068 -8.628 27.178 1.00 85.00 B H +ATOM 1078 HA ARG B 67 -20.781 -11.159 25.736 1.00 82.78 B H +ATOM 1079 HB2 ARG B 67 -22.000 -12.123 27.614 1.00 82.93 B H +ATOM 1080 HB3 ARG B 67 -20.440 -11.817 27.791 1.00 82.93 B H +ATOM 1081 HG2 ARG B 67 -21.125 -9.737 28.894 1.00 89.33 B H +ATOM 1082 HG3 ARG B 67 -22.594 -10.368 28.950 1.00 89.33 B H +ATOM 1083 HD2 ARG B 67 -20.271 -11.433 30.237 1.00 86.98 B H +ATOM 1084 HD3 ARG B 67 -21.551 -10.834 30.979 1.00 86.98 B H +ATOM 1085 HE ARG B 67 -21.481 -13.297 29.673 1.00 75.40 B H +ATOM 1086 HH11 ARG B 67 -23.407 -11.315 31.616 1.00 65.03 B H +ATOM 1087 HH12 ARG B 67 -24.491 -12.410 31.858 1.00 65.03 B H +ATOM 1088 HH21 ARG B 67 -23.038 -14.793 30.025 1.00 71.29 B H +ATOM 1089 HH22 ARG B 67 -24.273 -14.464 30.919 1.00 71.29 B H +ATOM 1090 N ALA B 68 -23.234 -9.251 25.562 1.00 70.95 B N +ATOM 1091 CA ALA B 68 -24.596 -9.019 25.025 1.00 73.86 B C +ATOM 1092 C ALA B 68 -24.534 -8.176 23.748 1.00 74.20 B C +ATOM 1093 O ALA B 68 -23.803 -7.167 23.723 1.00 75.53 B O +ATOM 1094 CB ALA B 68 -25.440 -8.353 26.071 1.00 76.25 B C +ATOM 1095 H ALA B 68 -22.658 -8.457 25.803 1.00 70.95 B H +ATOM 1096 HA ALA B 68 -24.996 -9.891 24.797 1.00 73.86 B H +ATOM 1097 HB1 ALA B 68 -26.331 -8.201 25.720 1.00 76.25 B H +ATOM 1098 HB2 ALA B 68 -25.495 -8.922 26.855 1.00 76.25 B H +ATOM 1099 HB3 ALA B 68 -25.041 -7.502 26.318 1.00 76.25 B H +ATOM 1100 N ARG B 69 -25.284 -8.587 22.731 1.00 68.63 B N +ATOM 1101 CA ARG B 69 -25.361 -7.899 21.428 1.00 73.09 B C +ATOM 1102 C ARG B 69 -26.783 -8.059 20.905 1.00 72.25 B C +ATOM 1103 O ARG B 69 -27.394 -9.121 21.103 1.00 63.78 B O +ATOM 1104 CB ARG B 69 -24.312 -8.427 20.446 1.00 86.55 B C +ATOM 1105 CG ARG B 69 -23.971 -9.903 20.612 1.00115.16 B C +ATOM 1106 CD ARG B 69 -22.840 -10.387 19.714 1.00124.04 B C +ATOM 1107 NE ARG B 69 -22.941 -9.819 18.373 1.00133.69 B N +ATOM 1108 CZ ARG B 69 -22.095 -8.939 17.833 1.00139.02 B C +ATOM 1109 NH1 ARG B 69 -21.032 -8.517 18.501 1.00137.86 B N +ATOM 1110 NH2 ARG B 69 -22.317 -8.487 16.609 1.00139.00 B N +ATOM 1111 H ARG B 69 -25.828 -9.425 22.878 1.00 68.63 B H +ATOM 1112 HA ARG B 69 -25.165 -6.940 21.568 1.00 73.09 B H +ATOM 1113 HB2 ARG B 69 -24.643 -8.283 19.525 1.00 86.55 B H +ATOM 1114 HB3 ARG B 69 -23.483 -7.899 20.557 1.00 86.55 B H +ATOM 1115 HG2 ARG B 69 -23.711 -10.074 21.551 1.00115.16 B H +ATOM 1116 HG3 ARG B 69 -24.773 -10.447 20.414 1.00115.16 B H +ATOM 1117 HD2 ARG B 69 -21.973 -10.134 20.118 1.00124.04 B H +ATOM 1118 HD3 ARG B 69 -22.867 -11.374 19.660 1.00124.04 B H +ATOM 1119 HE ARG B 69 -23.630 -10.078 17.857 1.00133.69 B H +ATOM 1120 HH11 ARG B 69 -20.873 -8.825 19.331 1.00137.86 B H +ATOM 1121 HH12 ARG B 69 -20.472 -7.924 18.123 1.00137.86 B H +ATOM 1122 HH21 ARG B 69 -23.034 -8.774 16.149 1.00139.00 B H +ATOM 1123 HH22 ARG B 69 -21.750 -7.894 16.241 1.00139.00 B H +ATOM 1124 N LEU B 70 -27.304 -6.986 20.323 1.00 70.60 B N +ATOM 1125 CA LEU B 70 -28.511 -7.022 19.475 1.00 72.38 B C +ATOM 1126 C LEU B 70 -28.046 -7.342 18.058 1.00 77.46 B C +ATOM 1127 O LEU B 70 -27.066 -6.714 17.581 1.00 90.99 B O +ATOM 1128 CB LEU B 70 -29.209 -5.664 19.583 1.00 70.12 B C +ATOM 1129 CG LEU B 70 -30.603 -5.593 18.976 1.00 73.25 B C +ATOM 1130 CD1 LEU B 70 -31.562 -6.554 19.638 1.00 73.23 B C +ATOM 1131 CD2 LEU B 70 -31.137 -4.180 19.071 1.00 81.67 B C +ATOM 1132 H LEU B 70 -26.838 -6.104 20.478 1.00 70.60 B H +ATOM 1133 HA LEU B 70 -29.103 -7.737 19.804 1.00 72.38 B H +ATOM 1134 HB2 LEU B 70 -29.271 -5.424 20.529 1.00 70.12 B H +ATOM 1135 HB3 LEU B 70 -28.647 -4.994 19.146 1.00 70.12 B H +ATOM 1136 HG LEU B 70 -30.534 -5.838 18.020 1.00 73.25 B H +ATOM 1137 HD11 LEU B 70 -31.233 -7.464 19.535 1.00 73.23 B H +ATOM 1138 HD12 LEU B 70 -32.438 -6.476 19.222 1.00 73.23 B H +ATOM 1139 HD13 LEU B 70 -31.633 -6.341 20.585 1.00 73.23 B H +ATOM 1140 HD21 LEU B 70 -31.180 -3.911 20.005 1.00 81.67 B H +ATOM 1141 HD22 LEU B 70 -32.027 -4.143 18.680 1.00 81.67 B H +ATOM 1142 HD23 LEU B 70 -30.546 -3.577 18.588 1.00 81.67 B H +ATOM 1143 N LEU B 71 -28.694 -8.321 17.441 1.00 84.78 B N +ATOM 1144 CA LEU B 71 -28.397 -8.797 16.069 1.00 92.21 B C +ATOM 1145 C LEU B 71 -29.070 -7.826 15.090 1.00 86.60 B C +ATOM 1146 O LEU B 71 -30.305 -7.925 14.942 1.00 95.82 B O +ATOM 1147 CB LEU B 71 -28.933 -10.233 15.934 1.00102.29 B C +ATOM 1148 CG LEU B 71 -28.462 -11.261 16.978 1.00 96.78 B C +ATOM 1149 CD1 LEU B 71 -28.960 -12.665 16.637 1.00 93.89 B C +ATOM 1150 CD2 LEU B 71 -26.945 -11.280 17.119 1.00 97.40 B C +ATOM 1151 H LEU B 71 -29.439 -8.759 17.963 1.00 84.78 B H +ATOM 1152 HA LEU B 71 -27.421 -8.778 15.936 1.00 92.21 B H +ATOM 1153 HB2 LEU B 71 -29.910 -10.201 15.971 1.00102.29 B H +ATOM 1154 HB3 LEU B 71 -28.683 -10.573 15.052 1.00102.29 B H +ATOM 1155 HG LEU B 71 -28.839 -11.002 17.855 1.00 96.78 B H +ATOM 1156 HD11 LEU B 71 -29.933 -12.668 16.615 1.00 93.89 B H +ATOM 1157 HD12 LEU B 71 -28.647 -13.293 17.311 1.00 93.89 B H +ATOM 1158 HD13 LEU B 71 -28.616 -12.929 15.766 1.00 93.89 B H +ATOM 1159 HD21 LEU B 71 -26.542 -11.510 16.263 1.00 97.40 B H +ATOM 1160 HD22 LEU B 71 -26.689 -11.940 17.787 1.00 97.40 B H +ATOM 1161 HD23 LEU B 71 -26.634 -10.401 17.397 1.00 97.40 B H +ATOM 1162 N LYS B 72 -28.307 -6.897 14.498 1.00 90.41 B N +ATOM 1163 CA LYS B 72 -28.858 -5.704 13.788 1.00 98.05 B C +ATOM 1164 C LYS B 72 -29.377 -6.102 12.396 1.00101.92 B C +ATOM 1165 O LYS B 72 -30.231 -5.378 11.844 1.00 99.21 B O +ATOM 1166 CB LYS B 72 -27.812 -4.588 13.667 1.00101.44 B C +ATOM 1167 CG LYS B 72 -27.070 -4.223 14.948 1.00108.69 B C +ATOM 1168 CD LYS B 72 -25.581 -4.019 14.739 1.00119.08 B C +ATOM 1169 CE LYS B 72 -24.839 -5.279 14.321 1.00118.62 B C +ATOM 1170 NZ LYS B 72 -23.643 -4.964 13.496 1.00104.24 B N +ATOM 1171 H LYS B 72 -27.306 -7.024 14.543 1.00 90.41 B H +ATOM 1172 HA LYS B 72 -29.615 -5.351 14.311 1.00 98.05 B H +ATOM 1173 HB2 LYS B 72 -27.150 -4.852 12.994 1.00101.44 B H +ATOM 1174 HB3 LYS B 72 -28.254 -3.782 13.328 1.00101.44 B H +ATOM 1175 HG2 LYS B 72 -27.456 -3.396 15.308 1.00108.69 B H +ATOM 1176 HG3 LYS B 72 -27.203 -4.942 15.602 1.00108.69 B H +ATOM 1177 HD2 LYS B 72 -25.445 -3.335 14.049 1.00119.08 B H +ATOM 1178 HD3 LYS B 72 -25.183 -3.686 15.572 1.00119.08 B H +ATOM 1179 HE2 LYS B 72 -24.557 -5.771 15.115 1.00118.62 B H +ATOM 1180 HE3 LYS B 72 -25.436 -5.855 13.808 1.00118.62 B H +ATOM 1181 HZ1 LYS B 72 -23.895 -4.520 12.747 1.00104.24 B H +ATOM 1182 HZ2 LYS B 72 -23.219 -5.732 13.264 1.00104.24 B H +ATOM 1183 HZ3 LYS B 72 -23.072 -4.443 13.970 1.00104.24 B H +ATOM 1184 N ASP B 73 -28.858 -7.201 11.844 1.00106.98 B N +ATOM 1185 CA ASP B 73 -29.239 -7.745 10.512 1.00106.22 B C +ATOM 1186 C ASP B 73 -30.681 -8.255 10.613 1.00100.16 B C +ATOM 1187 O ASP B 73 -31.466 -7.986 9.693 1.00108.36 B O +ATOM 1188 CB ASP B 73 -28.224 -8.805 10.072 1.00115.00 B C +ATOM 1189 CG ASP B 73 -26.783 -8.369 10.319 1.00123.73 B C +ATOM 1190 OD1 ASP B 73 -26.330 -7.432 9.626 1.00131.53 B O +ATOM 1191 OD2 ASP B 73 -26.141 -8.923 11.242 1.00113.62 B O +ATOM 1192 H ASP B 73 -28.157 -7.681 12.390 1.00106.98 B H +ATOM 1193 HA ASP B 73 -29.192 -7.015 9.851 1.00106.22 B H +ATOM 1194 HB2 ASP B 73 -28.389 -9.624 10.582 1.00115.00 B H +ATOM 1195 HB3 ASP B 73 -28.337 -8.964 9.113 1.00115.00 B H +ATOM 1196 N GLN B 74 -31.014 -8.895 11.738 1.00 94.80 B N +ATOM 1197 CA GLN B 74 -32.370 -9.399 12.104 1.00 90.72 B C +ATOM 1198 C GLN B 74 -33.396 -8.257 12.188 1.00 83.85 B C +ATOM 1199 O GLN B 74 -34.609 -8.531 12.040 1.00 85.09 B O +ATOM 1200 CB GLN B 74 -32.329 -10.098 13.470 1.00 95.88 B C +ATOM 1201 CG GLN B 74 -31.545 -11.408 13.501 1.00 97.13 B C +ATOM 1202 CD GLN B 74 -32.018 -12.421 12.481 1.00 99.96 B C +ATOM 1203 NE2 GLN B 74 -31.129 -12.762 11.560 1.00102.67 B N +ATOM 1204 OE1 GLN B 74 -33.164 -12.891 12.507 1.00 78.04 B O +ATOM 1205 H GLN B 74 -30.247 -9.034 12.381 1.00 94.80 B H +ATOM 1206 HA GLN B 74 -32.672 -10.021 11.402 1.00 90.72 B H +ATOM 1207 HB2 GLN B 74 -31.931 -9.484 14.122 1.00 95.88 B H +ATOM 1208 HB3 GLN B 74 -33.249 -10.281 13.754 1.00 95.88 B H +ATOM 1209 HG2 GLN B 74 -30.597 -11.221 13.334 1.00 97.13 B H +ATOM 1210 HG3 GLN B 74 -31.621 -11.809 14.393 1.00 97.13 B H +ATOM 1211 HE21 GLN B 74 -31.343 -13.349 10.935 1.00102.67 B H +ATOM 1212 HE22 GLN B 74 -30.322 -12.402 11.570 1.00102.67 B H +ATOM 1213 N LEU B 75 -32.949 -7.040 12.500 1.00 77.55 B N +ATOM 1214 CA LEU B 75 -33.863 -5.904 12.789 1.00 84.96 B C +ATOM 1215 C LEU B 75 -34.718 -5.643 11.541 1.00 88.13 B C +ATOM 1216 O LEU B 75 -35.937 -5.413 11.686 1.00 85.59 B O +ATOM 1217 CB LEU B 75 -33.030 -4.688 13.217 1.00 82.45 B C +ATOM 1218 CG LEU B 75 -33.149 -4.217 14.673 1.00 81.23 B C +ATOM 1219 CD1 LEU B 75 -33.729 -5.250 15.620 1.00 78.74 B C +ATOM 1220 CD2 LEU B 75 -31.814 -3.739 15.192 1.00 79.39 B C +ATOM 1221 H LEU B 75 -31.951 -6.891 12.540 1.00 77.55 B H +ATOM 1222 HA LEU B 75 -34.450 -6.158 13.538 1.00 84.96 B H +ATOM 1223 HB2 LEU B 75 -32.087 -4.888 13.053 1.00 82.45 B H +ATOM 1224 HB3 LEU B 75 -33.274 -3.932 12.647 1.00 82.45 B H +ATOM 1225 HG LEU B 75 -33.779 -3.455 14.698 1.00 81.23 B H +ATOM 1226 HD11 LEU B 75 -34.624 -5.494 15.326 1.00 78.74 B H +ATOM 1227 HD12 LEU B 75 -33.771 -4.879 16.518 1.00 78.74 B H +ATOM 1228 HD13 LEU B 75 -33.163 -6.041 15.623 1.00 78.74 B H +ATOM 1229 HD21 LEU B 75 -31.169 -4.467 15.149 1.00 79.39 B H +ATOM 1230 HD22 LEU B 75 -31.911 -3.445 16.114 1.00 79.39 B H +ATOM 1231 HD23 LEU B 75 -31.501 -2.997 14.647 1.00 79.39 B H +ATOM 1232 N SER B 76 -34.109 -5.768 10.360 1.00 94.49 B N +ATOM 1233 CA SER B 76 -34.750 -5.585 9.032 1.00 89.87 B C +ATOM 1234 C SER B 76 -35.882 -6.594 8.816 1.00 90.41 B C +ATOM 1235 O SER B 76 -36.836 -6.253 8.101 1.00 96.16 B O +ATOM 1236 CB SER B 76 -33.724 -5.667 7.944 1.00 92.93 B C +ATOM 1237 OG SER B 76 -32.647 -4.780 8.227 1.00104.70 B O +ATOM 1238 H SER B 76 -33.129 -6.008 10.405 1.00 94.49 B H +ATOM 1239 HA SER B 76 -35.148 -4.680 9.006 1.00 89.87 B H +ATOM 1240 HB2 SER B 76 -33.388 -6.595 7.881 1.00 92.93 B H +ATOM 1241 HB3 SER B 76 -34.142 -5.424 7.081 1.00 92.93 B H +ATOM 1242 HG SER B 76 -32.083 -4.839 7.608 0.00104.70 B H +ATOM 1243 N LEU B 77 -35.819 -7.778 9.421 1.00 84.86 B N +ATOM 1244 CA LEU B 77 -36.845 -8.827 9.192 1.00 94.06 B C +ATOM 1245 C LEU B 77 -37.852 -8.843 10.348 1.00 94.24 B C +ATOM 1246 O LEU B 77 -38.539 -9.862 10.506 1.00 94.96 B O +ATOM 1247 CB LEU B 77 -36.140 -10.177 9.015 1.00119.20 B C +ATOM 1248 CG LEU B 77 -35.097 -10.245 7.890 1.00129.02 B C +ATOM 1249 CD1 LEU B 77 -34.293 -11.539 7.967 1.00125.38 B C +ATOM 1250 CD2 LEU B 77 -35.741 -10.099 6.514 1.00123.29 B C +ATOM 1251 H LEU B 77 -35.053 -7.967 10.052 1.00 84.86 B H +ATOM 1252 HA LEU B 77 -37.329 -8.614 8.361 1.00 94.06 B H +ATOM 1253 HB2 LEU B 77 -35.698 -10.406 9.857 1.00119.20 B H +ATOM 1254 HB3 LEU B 77 -36.820 -10.859 8.844 1.00119.20 B H +ATOM 1255 HG LEU B 77 -34.468 -9.491 8.009 1.00129.02 B H +ATOM 1256 HD11 LEU B 77 -33.833 -11.585 8.823 1.00125.38 B H +ATOM 1257 HD12 LEU B 77 -33.641 -11.559 7.245 1.00125.38 B H +ATOM 1258 HD13 LEU B 77 -34.893 -12.300 7.882 1.00125.38 B H +ATOM 1259 HD21 LEU B 77 -36.385 -10.816 6.379 1.00123.29 B H +ATOM 1260 HD22 LEU B 77 -35.053 -10.146 5.827 1.00123.29 B H +ATOM 1261 HD23 LEU B 77 -36.196 -9.241 6.458 1.00123.29 B H +ATOM 1262 N GLY B 78 -37.956 -7.748 11.110 1.00 93.70 B N +ATOM 1263 CA GLY B 78 -38.901 -7.610 12.234 1.00 84.31 B C +ATOM 1264 C GLY B 78 -38.467 -8.435 13.431 1.00 76.46 B C +ATOM 1265 O GLY B 78 -39.342 -8.854 14.197 1.00 75.06 B O +ATOM 1266 H GLY B 78 -37.341 -6.979 10.886 1.00 93.70 B H +ATOM 1267 HA2 GLY B 78 -38.958 -6.656 12.493 1.00 84.31 B H +ATOM 1268 HA3 GLY B 78 -39.799 -7.903 11.939 1.00 84.31 B H +ATOM 1269 N ASN B 79 -37.160 -8.648 13.600 1.00 77.14 B N +ATOM 1270 CA ASN B 79 -36.622 -9.556 14.649 1.00 84.06 B C +ATOM 1271 C ASN B 79 -35.654 -8.798 15.568 1.00 76.15 B C +ATOM 1272 O ASN B 79 -34.602 -8.282 15.097 1.00 65.05 B O +ATOM 1273 CB ASN B 79 -35.991 -10.808 14.038 1.00 90.04 B C +ATOM 1274 CG ASN B 79 -35.576 -11.836 15.074 1.00 97.52 B C +ATOM 1275 ND2 ASN B 79 -34.429 -12.454 14.858 1.00100.95 B N +ATOM 1276 OD1 ASN B 79 -36.286 -12.098 16.047 1.00 91.53 B O +ATOM 1277 H ASN B 79 -36.517 -8.169 12.986 1.00 77.14 B H +ATOM 1278 HA ASN B 79 -37.375 -9.883 15.195 1.00 84.06 B H +ATOM 1279 HB2 ASN B 79 -36.632 -11.218 13.422 1.00 90.04 B H +ATOM 1280 HB3 ASN B 79 -35.204 -10.545 13.518 1.00 90.04 B H +ATOM 1281 HD21 ASN B 79 -34.140 -13.062 15.430 1.00100.95 B H +ATOM 1282 HD22 ASN B 79 -33.950 -12.259 14.141 1.00100.95 B H +ATOM 1283 N ALA B 80 -35.996 -8.752 16.855 1.00 67.47 B N +ATOM 1284 CA ALA B 80 -35.197 -8.086 17.903 1.00 70.27 B C +ATOM 1285 C ALA B 80 -34.563 -9.178 18.756 1.00 66.50 B C +ATOM 1286 O ALA B 80 -34.978 -9.372 19.882 1.00 82.28 B O +ATOM 1287 CB ALA B 80 -36.068 -7.165 18.718 1.00 69.25 B C +ATOM 1288 H ALA B 80 -36.861 -9.208 17.110 1.00 67.47 B H +ATOM 1289 HA ALA B 80 -34.490 -7.554 17.467 1.00 70.27 B H +ATOM 1290 HB1 ALA B 80 -35.533 -6.733 19.402 1.00 69.25 B H +ATOM 1291 HB2 ALA B 80 -36.457 -6.490 18.140 1.00 69.25 B H +ATOM 1292 HB3 ALA B 80 -36.778 -7.677 19.139 1.00 69.25 B H +ATOM 1293 N ALA B 81 -33.612 -9.906 18.206 1.00 69.35 B N +ATOM 1294 CA ALA B 81 -33.051 -11.097 18.869 1.00 63.90 B C +ATOM 1295 C ALA B 81 -31.920 -10.634 19.770 1.00 62.40 B C +ATOM 1296 O ALA B 81 -31.033 -9.948 19.255 1.00 59.20 B O +ATOM 1297 CB ALA B 81 -32.564 -12.082 17.848 1.00 68.67 B C +ATOM 1298 H ALA B 81 -33.259 -9.635 17.299 1.00 69.35 B H +ATOM 1299 HA ALA B 81 -33.758 -11.513 19.416 1.00 63.90 B H +ATOM 1300 HB1 ALA B 81 -32.198 -12.860 18.297 1.00 68.67 B H +ATOM 1301 HB2 ALA B 81 -33.303 -12.355 17.282 1.00 68.67 B H +ATOM 1302 HB3 ALA B 81 -31.874 -11.670 17.302 1.00 68.67 B H +ATOM 1303 N LEU B 82 -31.979 -10.974 21.058 1.00 56.55 B N +ATOM 1304 CA LEU B 82 -30.864 -10.718 21.999 1.00 64.38 B C +ATOM 1305 C LEU B 82 -30.035 -11.993 22.115 1.00 64.67 B C +ATOM 1306 O LEU B 82 -30.606 -13.044 22.404 1.00 67.99 B O +ATOM 1307 CB LEU B 82 -31.420 -10.312 23.357 1.00 57.40 B C +ATOM 1308 CG LEU B 82 -30.385 -10.230 24.459 1.00 62.13 B C +ATOM 1309 CD1 LEU B 82 -29.348 -9.187 24.138 1.00 66.97 B C +ATOM 1310 CD2 LEU B 82 -31.038 -9.956 25.800 1.00 71.70 B C +ATOM 1311 H LEU B 82 -32.818 -11.422 21.398 1.00 56.55 B H +ATOM 1312 HA LEU B 82 -30.303 -9.997 21.630 1.00 64.38 B H +ATOM 1313 HB2 LEU B 82 -31.855 -9.441 23.263 1.00 57.40 B H +ATOM 1314 HB3 LEU B 82 -32.108 -10.958 23.614 1.00 57.40 B H +ATOM 1315 HG LEU B 82 -29.927 -11.105 24.515 1.00 62.13 B H +ATOM 1316 HD11 LEU B 82 -28.903 -9.418 23.304 1.00 66.97 B H +ATOM 1317 HD12 LEU B 82 -28.693 -9.148 24.857 1.00 66.97 B H +ATOM 1318 HD13 LEU B 82 -29.778 -8.319 24.045 1.00 66.97 B H +ATOM 1319 HD21 LEU B 82 -31.519 -9.111 25.760 1.00 71.70 B H +ATOM 1320 HD22 LEU B 82 -30.354 -9.909 26.490 1.00 71.70 B H +ATOM 1321 HD23 LEU B 82 -31.661 -10.673 26.010 1.00 71.70 B H +ATOM 1322 N GLN B 83 -28.747 -11.880 21.856 1.00 67.50 B N +ATOM 1323 CA GLN B 83 -27.779 -12.975 22.033 1.00 76.35 B C +ATOM 1324 C GLN B 83 -26.951 -12.625 23.257 1.00 69.57 B C +ATOM 1325 O GLN B 83 -26.475 -11.477 23.331 1.00 65.60 B O +ATOM 1326 CB GLN B 83 -26.874 -13.148 20.814 1.00 86.31 B C +ATOM 1327 CG GLN B 83 -25.736 -14.134 21.065 1.00100.59 B C +ATOM 1328 CD GLN B 83 -24.857 -14.349 19.858 1.00100.28 B C +ATOM 1329 NE2 GLN B 83 -25.178 -15.390 19.106 1.00103.87 B N +ATOM 1330 OE1 GLN B 83 -23.897 -13.609 19.615 1.00 89.93 B O +ATOM 1331 H GLN B 83 -28.422 -10.985 21.518 1.00 67.50 B H +ATOM 1332 HA GLN B 83 -28.277 -13.810 22.189 1.00 76.35 B H +ATOM 1333 HB2 GLN B 83 -27.420 -13.459 20.062 1.00 86.31 B H +ATOM 1334 HB3 GLN B 83 -26.505 -12.273 20.573 1.00 86.31 B H +ATOM 1335 HG2 GLN B 83 -25.179 -13.803 21.802 1.00100.59 B H +ATOM 1336 HG3 GLN B 83 -26.112 -14.999 21.335 1.00100.59 B H +ATOM 1337 HE21 GLN B 83 -24.705 -15.575 18.382 1.00103.87 B H +ATOM 1338 HE22 GLN B 83 -25.865 -15.900 19.327 1.00103.87 B H +ATOM 1339 N ILE B 84 -26.796 -13.587 24.162 1.00 64.04 B N +ATOM 1340 CA ILE B 84 -25.941 -13.467 25.379 1.00 65.61 B C +ATOM 1341 C ILE B 84 -24.912 -14.594 25.318 1.00 68.61 B C +ATOM 1342 O ILE B 84 -25.336 -15.791 25.186 1.00 64.77 B O +ATOM 1343 CB ILE B 84 -26.743 -13.590 26.683 1.00 64.94 B C +ATOM 1344 CG1 ILE B 84 -27.998 -12.722 26.708 1.00 70.40 B C +ATOM 1345 CG2 ILE B 84 -25.823 -13.317 27.864 1.00 71.87 B C +ATOM 1346 CD1 ILE B 84 -27.721 -11.288 27.036 1.00 77.31 B C +ATOM 1347 H ILE B 84 -27.299 -14.447 23.996 1.00 64.04 B H +ATOM 1348 HA ILE B 84 -25.481 -12.609 25.348 1.00 65.61 B H +ATOM 1349 HB ILE B 84 -27.062 -14.524 26.747 1.00 64.94 B H +ATOM 1350 HG12 ILE B 84 -28.432 -12.771 25.830 1.00 70.40 B H +ATOM 1351 HG13 ILE B 84 -28.620 -13.088 27.372 1.00 70.40 B H +ATOM 1352 HG21 ILE B 84 -25.096 -13.964 27.869 1.00 71.87 B H +ATOM 1353 HG22 ILE B 84 -26.324 -13.396 28.694 1.00 71.87 B H +ATOM 1354 HG23 ILE B 84 -25.455 -12.419 27.792 1.00 71.87 B H +ATOM 1355 HD11 ILE B 84 -27.308 -11.229 27.915 1.00 77.31 B H +ATOM 1356 HD12 ILE B 84 -28.555 -10.787 27.037 1.00 77.31 B H +ATOM 1357 HD13 ILE B 84 -27.119 -10.912 26.370 1.00 77.31 B H +ATOM 1358 N THR B 85 -23.632 -14.251 25.452 1.00 67.78 B N +ATOM 1359 CA THR B 85 -22.528 -15.240 25.415 1.00 73.17 B C +ATOM 1360 C THR B 85 -22.233 -15.682 26.847 1.00 73.76 B C +ATOM 1361 O THR B 85 -22.420 -14.843 27.789 1.00 66.04 B O +ATOM 1362 CB THR B 85 -21.299 -14.719 24.654 1.00 70.62 B C +ATOM 1363 CG2 THR B 85 -21.651 -14.366 23.230 1.00 67.72 B C +ATOM 1364 OG1 THR B 85 -20.714 -13.608 25.343 1.00 71.89 B O +ATOM 1365 H THR B 85 -23.413 -13.274 25.584 1.00 67.78 B H +ATOM 1366 HA THR B 85 -22.834 -16.021 24.891 1.00 73.17 B H +ATOM 1367 HB THR B 85 -20.607 -15.426 24.661 1.00 70.62 B H +ATOM 1368 HG1 THR B 85 -20.045 -13.333 24.918 0.00 71.89 B H +ATOM 1369 HG21 THR B 85 -21.992 -15.169 22.764 1.00 67.72 B H +ATOM 1370 HG22 THR B 85 -20.845 -14.035 22.762 1.00 67.72 B H +ATOM 1371 HG23 THR B 85 -22.346 -13.663 23.225 1.00 67.72 B H +ATOM 1372 N ASP B 86 -21.829 -16.951 26.984 1.00 63.52 B N +ATOM 1373 CA ASP B 86 -21.231 -17.525 28.215 1.00 68.49 B C +ATOM 1374 C ASP B 86 -22.240 -17.398 29.356 1.00 62.63 B C +ATOM 1375 O ASP B 86 -21.916 -16.834 30.421 1.00 65.58 B O +ATOM 1376 CB ASP B 86 -19.883 -16.867 28.523 1.00 80.23 B C +ATOM 1377 CG ASP B 86 -19.155 -17.484 29.706 1.00 96.72 B C +ATOM 1378 OD1 ASP B 86 -19.467 -18.657 30.042 1.00102.66 B O +ATOM 1379 OD2 ASP B 86 -18.291 -16.786 30.291 1.00102.71 B O +ATOM 1380 H ASP B 86 -21.951 -17.542 26.174 1.00 63.52 B H +ATOM 1381 HA ASP B 86 -21.043 -18.480 28.056 1.00 68.49 B H +ATOM 1382 HB2 ASP B 86 -19.305 -16.960 27.738 1.00 80.23 B H +ATOM 1383 HB3 ASP B 86 -20.038 -15.923 28.730 1.00 80.23 B H +ATOM 1384 N VAL B 87 -23.422 -17.954 29.146 1.00 57.74 B N +ATOM 1385 CA VAL B 87 -24.559 -17.801 30.084 1.00 61.10 B C +ATOM 1386 C VAL B 87 -24.212 -18.476 31.418 1.00 68.59 B C +ATOM 1387 O VAL B 87 -23.806 -19.640 31.387 1.00 71.17 B O +ATOM 1388 CB VAL B 87 -25.804 -18.414 29.432 1.00 58.87 B C +ATOM 1389 CG1 VAL B 87 -26.913 -18.614 30.422 1.00 59.11 B C +ATOM 1390 CG2 VAL B 87 -26.263 -17.581 28.260 1.00 66.07 B C +ATOM 1391 H VAL B 87 -23.545 -18.504 28.308 1.00 57.74 B H +ATOM 1392 HA VAL B 87 -24.696 -16.851 30.249 1.00 61.10 B H +ATOM 1393 HB VAL B 87 -25.547 -19.306 29.091 1.00 58.87 B H +ATOM 1394 HG11 VAL B 87 -26.614 -19.212 31.129 1.00 59.11 B H +ATOM 1395 HG12 VAL B 87 -27.683 -19.003 29.973 1.00 59.11 B H +ATOM 1396 HG13 VAL B 87 -27.163 -17.756 30.808 1.00 59.11 B H +ATOM 1397 HG21 VAL B 87 -26.479 -16.683 28.565 1.00 66.07 B H +ATOM 1398 HG22 VAL B 87 -27.052 -17.987 27.862 1.00 66.07 B H +ATOM 1399 HG23 VAL B 87 -25.553 -17.535 27.596 1.00 66.07 B H +ATOM 1400 N LYS B 88 -24.429 -17.787 32.542 1.00 74.27 B N +ATOM 1401 CA LYS B 88 -24.227 -18.319 33.918 1.00 72.59 B C +ATOM 1402 C LYS B 88 -25.569 -18.337 34.664 1.00 71.85 B C +ATOM 1403 O LYS B 88 -26.575 -17.953 34.078 1.00 67.31 B O +ATOM 1404 CB LYS B 88 -23.203 -17.462 34.660 1.00 79.11 B C +ATOM 1405 CG LYS B 88 -21.924 -17.162 33.888 1.00 94.91 B C +ATOM 1406 CD LYS B 88 -21.052 -18.390 33.663 1.00102.92 B C +ATOM 1407 CE LYS B 88 -19.575 -18.075 33.513 1.00106.58 B C +ATOM 1408 NZ LYS B 88 -19.002 -17.469 34.741 1.00108.85 B N +ATOM 1409 H LYS B 88 -24.754 -16.838 32.424 1.00 74.27 B H +ATOM 1410 HA LYS B 88 -23.892 -19.243 33.850 1.00 72.59 B H +ATOM 1411 HB2 LYS B 88 -23.627 -16.613 34.907 1.00 79.11 B H +ATOM 1412 HB3 LYS B 88 -22.966 -17.914 35.496 1.00 79.11 B H +ATOM 1413 HG2 LYS B 88 -22.166 -16.783 33.016 1.00 94.91 B H +ATOM 1414 HG3 LYS B 88 -21.407 -16.494 34.387 1.00 94.91 B H +ATOM 1415 HD2 LYS B 88 -21.163 -19.005 34.419 1.00102.92 B H +ATOM 1416 HD3 LYS B 88 -21.355 -18.854 32.853 1.00102.92 B H +ATOM 1417 HE2 LYS B 88 -19.085 -18.894 33.310 1.00106.58 B H +ATOM 1418 HE3 LYS B 88 -19.446 -17.456 32.769 1.00106.58 B H +ATOM 1419 HZ1 LYS B 88 -19.436 -16.696 34.933 1.00108.85 B H +ATOM 1420 HZ2 LYS B 88 -18.120 -17.297 34.616 1.00108.85 B H +ATOM 1421 HZ3 LYS B 88 -19.095 -18.042 35.438 1.00108.85 B H +ATOM 1422 N LEU B 89 -25.587 -18.756 35.929 1.00 69.56 B N +ATOM 1423 CA LEU B 89 -26.845 -18.907 36.718 1.00 68.96 B C +ATOM 1424 C LEU B 89 -27.481 -17.532 36.988 1.00 63.68 B C +ATOM 1425 O LEU B 89 -28.704 -17.465 37.133 1.00 62.61 B O +ATOM 1426 CB LEU B 89 -26.506 -19.647 38.013 1.00 78.79 B C +ATOM 1427 CG LEU B 89 -26.993 -21.093 38.118 1.00 84.24 B C +ATOM 1428 CD1 LEU B 89 -26.527 -21.951 36.967 1.00 82.08 B C +ATOM 1429 CD2 LEU B 89 -26.523 -21.701 39.423 1.00 98.19 B C +ATOM 1430 H LEU B 89 -24.703 -18.979 36.364 1.00 69.56 B H +ATOM 1431 HA LEU B 89 -27.482 -19.443 36.191 1.00 68.96 B H +ATOM 1432 HB2 LEU B 89 -25.534 -19.647 38.121 1.00 78.79 B H +ATOM 1433 HB3 LEU B 89 -26.886 -19.146 38.762 1.00 78.79 B H +ATOM 1434 HG LEU B 89 -27.982 -21.084 38.113 1.00 84.24 B H +ATOM 1435 HD11 LEU B 89 -26.863 -21.583 36.131 1.00 82.08 B H +ATOM 1436 HD12 LEU B 89 -26.862 -22.857 37.081 1.00 82.08 B H +ATOM 1437 HD13 LEU B 89 -25.554 -21.966 36.946 1.00 82.08 B H +ATOM 1438 HD21 LEU B 89 -25.551 -21.686 39.456 1.00 98.19 B H +ATOM 1439 HD22 LEU B 89 -26.836 -22.620 39.484 1.00 98.19 B H +ATOM 1440 HD23 LEU B 89 -26.880 -21.187 40.168 1.00 98.19 B H +ATOM 1441 N GLN B 90 -26.668 -16.476 37.018 1.00 68.48 B N +ATOM 1442 CA GLN B 90 -27.085 -15.074 37.286 1.00 76.46 B C +ATOM 1443 C GLN B 90 -27.917 -14.562 36.114 1.00 70.78 B C +ATOM 1444 O GLN B 90 -28.583 -13.557 36.312 1.00 84.69 B O +ATOM 1445 CB GLN B 90 -25.887 -14.134 37.470 1.00 78.57 B C +ATOM 1446 CG GLN B 90 -24.857 -14.635 38.473 1.00 92.73 B C +ATOM 1447 CD GLN B 90 -23.832 -15.573 37.873 1.00 99.11 B C +ATOM 1448 NE2 GLN B 90 -22.628 -15.068 37.650 1.00 93.53 B N +ATOM 1449 OE1 GLN B 90 -24.099 -16.752 37.636 1.00108.09 B O +ATOM 1450 H GLN B 90 -25.694 -16.675 36.840 1.00 68.48 B H +ATOM 1451 HA GLN B 90 -27.641 -15.064 38.098 1.00 76.46 B H +ATOM 1452 HB2 GLN B 90 -25.451 -14.011 36.601 1.00 78.57 B H +ATOM 1453 HB3 GLN B 90 -26.219 -13.260 37.764 1.00 78.57 B H +ATOM 1454 HG2 GLN B 90 -24.384 -13.868 38.860 1.00 92.73 B H +ATOM 1455 HG3 GLN B 90 -25.317 -15.105 39.200 1.00 92.73 B H +ATOM 1456 HE21 GLN B 90 -21.993 -15.575 37.301 1.00 93.53 B H +ATOM 1457 HE22 GLN B 90 -22.458 -14.224 37.850 1.00 93.53 B H +ATOM 1458 N ASP B 91 -27.863 -15.226 34.955 1.00 65.57 B N +ATOM 1459 CA ASP B 91 -28.609 -14.820 33.735 1.00 65.11 B C +ATOM 1460 C ASP B 91 -29.985 -15.467 33.736 1.00 56.65 B C +ATOM 1461 O ASP B 91 -30.801 -15.143 32.846 1.00 60.56 B O +ATOM 1462 CB ASP B 91 -27.875 -15.187 32.447 1.00 59.84 B C +ATOM 1463 CG ASP B 91 -26.521 -14.513 32.344 1.00 71.06 B C +ATOM 1464 OD1 ASP B 91 -26.457 -13.281 32.549 1.00 73.14 B O +ATOM 1465 OD2 ASP B 91 -25.534 -15.233 32.082 1.00 79.68 B O +ATOM 1466 H ASP B 91 -27.277 -16.048 34.923 1.00 65.57 B H +ATOM 1467 HA ASP B 91 -28.722 -13.841 33.749 1.00 65.11 B H +ATOM 1468 HB2 ASP B 91 -27.739 -16.156 32.432 1.00 59.84 B H +ATOM 1469 HB3 ASP B 91 -28.421 -14.901 31.686 1.00 59.84 B H +ATOM 1470 N ALA B 92 -30.240 -16.374 34.663 1.00 56.22 B N +ATOM 1471 CA ALA B 92 -31.592 -16.932 34.852 1.00 64.48 B C +ATOM 1472 C ALA B 92 -32.482 -15.786 35.344 1.00 57.84 B C +ATOM 1473 O ALA B 92 -31.999 -14.947 36.111 1.00 59.81 B O +ATOM 1474 CB ALA B 92 -31.556 -18.094 35.814 1.00 69.75 B C +ATOM 1475 H ALA B 92 -29.488 -16.693 35.257 1.00 56.22 B H +ATOM 1476 HA ALA B 92 -31.920 -17.260 33.982 1.00 64.48 B H +ATOM 1477 HB1 ALA B 92 -32.451 -18.449 35.928 1.00 69.75 B H +ATOM 1478 HB2 ALA B 92 -30.977 -18.788 35.463 1.00 69.75 B H +ATOM 1479 HB3 ALA B 92 -31.216 -17.794 36.674 1.00 69.75 B H +ATOM 1480 N GLY B 93 -33.718 -15.730 34.887 1.00 58.80 B N +ATOM 1481 CA GLY B 93 -34.662 -14.687 35.299 1.00 64.61 B C +ATOM 1482 C GLY B 93 -35.604 -14.352 34.169 1.00 64.66 B C +ATOM 1483 O GLY B 93 -35.642 -15.109 33.169 1.00 63.04 B O +ATOM 1484 H GLY B 93 -34.019 -16.435 34.229 1.00 58.80 B H +ATOM 1485 HA2 GLY B 93 -35.173 -15.006 36.084 1.00 64.61 B H +ATOM 1486 HA3 GLY B 93 -34.155 -13.881 35.569 1.00 64.61 B H +ATOM 1487 N VAL B 94 -36.362 -13.274 34.351 1.00 65.65 B N +ATOM 1488 CA VAL B 94 -37.404 -12.828 33.393 1.00 66.10 B C +ATOM 1489 C VAL B 94 -36.812 -11.674 32.606 1.00 67.02 B C +ATOM 1490 O VAL B 94 -36.268 -10.747 33.236 1.00 61.14 B O +ATOM 1491 CB VAL B 94 -38.716 -12.427 34.084 1.00 79.37 B C +ATOM 1492 CG1 VAL B 94 -39.758 -12.013 33.052 1.00 78.95 B C +ATOM 1493 CG2 VAL B 94 -39.244 -13.553 34.968 1.00 74.93 B C +ATOM 1494 H VAL B 94 -36.207 -12.740 35.194 1.00 65.65 B H +ATOM 1495 HA VAL B 94 -37.601 -13.565 32.788 1.00 66.10 B H +ATOM 1496 HB VAL B 94 -38.516 -11.653 34.667 1.00 79.37 B H +ATOM 1497 HG11 VAL B 94 -39.425 -11.255 32.541 1.00 78.95 B H +ATOM 1498 HG12 VAL B 94 -40.582 -11.763 33.505 1.00 78.95 B H +ATOM 1499 HG13 VAL B 94 -39.933 -12.757 32.450 1.00 78.95 B H +ATOM 1500 HG21 VAL B 94 -39.409 -14.343 34.424 1.00 74.93 B H +ATOM 1501 HG22 VAL B 94 -40.073 -13.271 35.392 1.00 74.93 B H +ATOM 1502 HG23 VAL B 94 -38.586 -13.764 35.653 1.00 74.93 B H +ATOM 1503 N TYR B 95 -36.860 -11.805 31.281 1.00 63.97 B N +ATOM 1504 CA TYR B 95 -36.371 -10.802 30.312 1.00 60.86 B C +ATOM 1505 C TYR B 95 -37.590 -10.077 29.756 1.00 62.93 B C +ATOM 1506 O TYR B 95 -38.668 -10.723 29.529 1.00 57.36 B O +ATOM 1507 CB TYR B 95 -35.521 -11.470 29.224 1.00 60.97 B C +ATOM 1508 CG TYR B 95 -34.173 -11.958 29.700 1.00 61.76 B C +ATOM 1509 CD1 TYR B 95 -34.074 -13.067 30.522 1.00 59.72 B C +ATOM 1510 CD2 TYR B 95 -32.994 -11.319 29.347 1.00 62.77 B C +ATOM 1511 CE1 TYR B 95 -32.851 -13.512 30.990 1.00 60.14 B C +ATOM 1512 CE2 TYR B 95 -31.759 -11.755 29.806 1.00 59.23 B C +ATOM 1513 CZ TYR B 95 -31.691 -12.845 30.652 1.00 57.55 B C +ATOM 1514 OH TYR B 95 -30.497 -13.337 31.090 1.00 55.55 B O +ATOM 1515 H TYR B 95 -37.266 -12.664 30.938 1.00 63.97 B H +ATOM 1516 HA TYR B 95 -35.792 -10.155 30.791 1.00 60.86 B H +ATOM 1517 HB2 TYR B 95 -36.025 -12.227 28.858 1.00 60.97 B H +ATOM 1518 HB3 TYR B 95 -35.390 -10.828 28.495 1.00 60.97 B H +ATOM 1519 HD1 TYR B 95 -34.859 -13.519 30.784 1.00 59.72 B H +ATOM 1520 HD2 TYR B 95 -33.035 -10.567 28.779 1.00 62.77 B H +ATOM 1521 HE1 TYR B 95 -32.805 -14.270 31.549 1.00 60.14 B H +ATOM 1522 HE2 TYR B 95 -30.972 -11.292 29.569 1.00 59.23 B H +ATOM 1523 HH TYR B 95 -30.624 -14.048 31.553 0.00 55.55 B H +ATOM 1524 N ARG B 96 -37.441 -8.769 29.551 1.00 65.81 B N +ATOM 1525 CA ARG B 96 -38.451 -7.982 28.801 1.00 67.06 B C +ATOM 1526 C ARG B 96 -37.753 -7.363 27.591 1.00 58.03 B C +ATOM 1527 O ARG B 96 -36.678 -6.735 27.743 1.00 65.54 B O +ATOM 1528 CB ARG B 96 -39.094 -6.923 29.698 1.00 76.10 B C +ATOM 1529 CG ARG B 96 -39.644 -7.456 31.011 1.00 86.25 B C +ATOM 1530 CD ARG B 96 -40.241 -6.338 31.850 1.00 95.85 B C +ATOM 1531 NE ARG B 96 -39.310 -5.222 31.960 1.00 95.19 B N +ATOM 1532 CZ ARG B 96 -38.295 -5.171 32.817 1.00 92.71 B C +ATOM 1533 NH1 ARG B 96 -37.493 -4.118 32.829 1.00 99.23 B N +ATOM 1534 NH2 ARG B 96 -38.079 -6.169 33.656 1.00 89.35 B N +ATOM 1535 H ARG B 96 -36.623 -8.301 29.914 1.00 65.81 B H +ATOM 1536 HA ARG B 96 -39.162 -8.596 28.494 1.00 67.06 B H +ATOM 1537 HB2 ARG B 96 -38.419 -6.229 29.899 1.00 76.10 B H +ATOM 1538 HB3 ARG B 96 -39.832 -6.494 29.199 1.00 76.10 B H +ATOM 1539 HG2 ARG B 96 -40.337 -8.135 30.822 1.00 86.25 B H +ATOM 1540 HG3 ARG B 96 -38.916 -7.896 31.515 1.00 86.25 B H +ATOM 1541 HD2 ARG B 96 -41.086 -6.035 31.434 1.00 95.85 B H +ATOM 1542 HD3 ARG B 96 -40.459 -6.687 32.749 1.00 95.85 B H +ATOM 1543 HE ARG B 96 -39.429 -4.520 31.412 1.00 95.19 B H +ATOM 1544 HH11 ARG B 96 -37.637 -3.439 32.257 1.00 99.23 B H +ATOM 1545 HH12 ARG B 96 -36.807 -4.085 33.409 1.00 99.23 B H +ATOM 1546 HH21 ARG B 96 -38.621 -6.886 33.647 1.00 89.35 B H +ATOM 1547 HH22 ARG B 96 -37.391 -6.128 34.233 1.00 89.35 B H +ATOM 1548 N CYS B 97 -38.290 -7.597 26.411 1.00 63.29 B N +ATOM 1549 CA CYS B 97 -37.957 -6.771 25.234 1.00 77.29 B C +ATOM 1550 C CYS B 97 -39.046 -5.707 25.086 1.00 79.88 B C +ATOM 1551 O CYS B 97 -40.233 -5.987 25.334 1.00 70.48 B O +ATOM 1552 CB CYS B 97 -37.915 -7.585 23.969 1.00 81.83 B C +ATOM 1553 SG CYS B 97 -39.589 -8.096 23.579 1.00102.10 B S +ATOM 1554 H CYS B 97 -38.945 -8.359 26.308 1.00 63.29 B H +ATOM 1555 HA CYS B 97 -37.088 -6.330 25.406 1.00 77.29 B H +ATOM 1556 HB2 CYS B 97 -37.529 -7.035 23.243 1.00 81.83 B H +ATOM 1557 HB3 CYS B 97 -37.324 -8.366 24.106 1.00 81.83 B H +ATOM 1558 N MET B 98 -38.641 -4.502 24.747 1.00 70.48 B N +ATOM 1559 CA MET B 98 -39.587 -3.384 24.592 1.00 68.25 B C +ATOM 1560 C MET B 98 -39.316 -2.773 23.222 1.00 62.70 B C +ATOM 1561 O MET B 98 -38.140 -2.477 22.934 1.00 59.48 B O +ATOM 1562 CB MET B 98 -39.377 -2.391 25.733 1.00 67.72 B C +ATOM 1563 CG MET B 98 -40.070 -2.841 27.008 1.00 76.21 B C +ATOM 1564 SD MET B 98 -38.950 -3.034 28.369 1.00 83.58 B S +ATOM 1565 CE MET B 98 -38.456 -1.330 28.600 1.00 81.72 B C +ATOM 1566 H MET B 98 -37.657 -4.340 24.589 1.00 70.48 B H +ATOM 1567 HA MET B 98 -40.503 -3.743 24.627 1.00 68.25 B H +ATOM 1568 HB2 MET B 98 -38.417 -2.297 25.893 1.00 67.72 B H +ATOM 1569 HB3 MET B 98 -39.724 -1.519 25.457 1.00 67.72 B H +ATOM 1570 HG2 MET B 98 -40.753 -2.182 27.254 1.00 76.21 B H +ATOM 1571 HG3 MET B 98 -40.519 -3.698 26.846 1.00 76.21 B H +ATOM 1572 HE1 MET B 98 -37.831 -1.274 29.326 1.00 81.72 B H +ATOM 1573 HE2 MET B 98 -38.043 -1.005 27.796 1.00 81.72 B H +ATOM 1574 HE3 MET B 98 -39.233 -0.795 28.802 1.00 81.72 B H +ATOM 1575 N ILE B 99 -40.340 -2.686 22.378 1.00 58.87 B N +ATOM 1576 CA ILE B 99 -40.164 -2.100 21.023 1.00 65.73 B C +ATOM 1577 C ILE B 99 -41.151 -0.953 20.813 1.00 66.68 B C +ATOM 1578 O ILE B 99 -42.349 -1.117 21.142 1.00 62.40 B O +ATOM 1579 CB ILE B 99 -40.273 -3.212 19.973 1.00 70.04 B C +ATOM 1580 CG1 ILE B 99 -39.472 -4.427 20.471 1.00 73.53 B C +ATOM 1581 CG2 ILE B 99 -39.826 -2.711 18.602 1.00 69.39 B C +ATOM 1582 CD1 ILE B 99 -39.022 -5.375 19.413 1.00 66.83 B C +ATOM 1583 H ILE B 99 -41.252 -3.021 22.655 1.00 58.87 B H +ATOM 1584 HA ILE B 99 -39.263 -1.735 20.961 1.00 65.73 B H +ATOM 1585 HB ILE B 99 -41.228 -3.461 19.903 1.00 70.04 B H +ATOM 1586 HG12 ILE B 99 -38.676 -4.106 20.947 1.00 73.53 B H +ATOM 1587 HG13 ILE B 99 -40.023 -4.927 21.110 1.00 73.53 B H +ATOM 1588 HG21 ILE B 99 -40.390 -1.968 18.325 1.00 69.39 B H +ATOM 1589 HG22 ILE B 99 -39.904 -3.429 17.950 1.00 69.39 B H +ATOM 1590 HG23 ILE B 99 -38.900 -2.415 18.647 1.00 69.39 B H +ATOM 1591 HD11 ILE B 99 -39.796 -5.731 18.944 1.00 66.83 B H +ATOM 1592 HD12 ILE B 99 -38.527 -6.107 19.820 1.00 66.83 B H +ATOM 1593 HD13 ILE B 99 -38.448 -4.909 18.781 1.00 66.83 B H +ATOM 1594 N SER B 100 -40.639 0.117 20.199 1.00 67.64 B N +ATOM 1595 CA SER B 100 -41.468 1.249 19.737 1.00 67.71 B C +ATOM 1596 C SER B 100 -41.221 1.370 18.233 1.00 63.56 B C +ATOM 1597 O SER B 100 -40.079 1.632 17.860 1.00 61.06 B O +ATOM 1598 CB SER B 100 -41.116 2.514 20.420 1.00 67.94 B C +ATOM 1599 OG SER B 100 -41.913 3.580 19.934 1.00 74.38 B O +ATOM 1600 H SER B 100 -39.641 0.144 20.049 1.00 67.64 B H +ATOM 1601 HA SER B 100 -42.416 1.024 19.906 1.00 67.71 B H +ATOM 1602 HB2 SER B 100 -41.259 2.411 21.393 1.00 67.94 B H +ATOM 1603 HB3 SER B 100 -40.161 2.716 20.262 1.00 67.94 B H +ATOM 1604 HG SER B 100 -41.693 4.282 20.337 0.00 74.38 B H +ATOM 1605 N TYR B 101 -42.245 1.140 17.418 1.00 68.00 B N +ATOM 1606 CA TYR B 101 -42.153 1.247 15.940 1.00 80.36 B C +ATOM 1607 C TYR B 101 -43.575 1.379 15.385 1.00 81.32 B C +ATOM 1608 O TYR B 101 -44.159 0.358 15.031 1.00 81.86 B O +ATOM 1609 CB TYR B 101 -41.442 0.023 15.371 1.00 84.34 B C +ATOM 1610 CG TYR B 101 -41.125 0.082 13.902 1.00 89.13 B C +ATOM 1611 CD1 TYR B 101 -39.971 0.691 13.446 1.00 92.54 B C +ATOM 1612 CD2 TYR B 101 -41.973 -0.489 12.972 1.00 98.05 B C +ATOM 1613 CE1 TYR B 101 -39.670 0.740 12.098 1.00 94.17 B C +ATOM 1614 CE2 TYR B 101 -41.693 -0.440 11.620 1.00103.54 B C +ATOM 1615 CZ TYR B 101 -40.538 0.176 11.183 1.00100.91 B C +ATOM 1616 OH TYR B 101 -40.273 0.225 9.851 1.00105.19 B O +ATOM 1617 H TYR B 101 -43.125 0.880 17.839 1.00 68.00 B H +ATOM 1618 HA TYR B 101 -41.639 2.063 15.714 1.00 80.36 B H +ATOM 1619 HB2 TYR B 101 -40.605 -0.106 15.864 1.00 84.34 B H +ATOM 1620 HB3 TYR B 101 -42.001 -0.765 15.536 1.00 84.34 B H +ATOM 1621 HD1 TYR B 101 -39.375 1.075 14.068 1.00 92.54 B H +ATOM 1622 HD2 TYR B 101 -42.759 -0.921 13.264 1.00 98.05 B H +ATOM 1623 HE1 TYR B 101 -38.878 1.160 11.804 1.00 94.17 B H +ATOM 1624 HE2 TYR B 101 -42.286 -0.825 10.997 1.00103.54 B H +ATOM 1625 HH TYR B 101 -39.532 0.636 9.714 0.00105.19 B H +ATOM 1626 N GLY B 102 -44.116 2.594 15.318 1.00 73.38 B N +ATOM 1627 CA GLY B 102 -45.521 2.777 14.903 1.00 75.74 B C +ATOM 1628 C GLY B 102 -46.391 2.275 16.013 1.00 75.48 B C +ATOM 1629 O GLY B 102 -47.439 1.697 15.725 1.00 74.53 B O +ATOM 1630 H GLY B 102 -43.562 3.405 15.553 1.00 73.38 B H +ATOM 1631 HA2 GLY B 102 -45.682 3.737 14.722 1.00 75.74 B H +ATOM 1632 HA3 GLY B 102 -45.678 2.275 14.064 1.00 75.74 B H +ATOM 1633 N GLY B 103 -46.013 2.590 17.236 1.00 72.29 B N +ATOM 1634 CA GLY B 103 -46.651 1.975 18.410 1.00 79.04 B C +ATOM 1635 C GLY B 103 -45.627 1.230 19.246 1.00 77.28 B C +ATOM 1636 O GLY B 103 -44.487 1.020 18.769 1.00 69.13 B O +ATOM 1637 H GLY B 103 -45.274 3.264 17.374 1.00 72.29 B H +ATOM 1638 HA2 GLY B 103 -47.080 2.683 18.953 1.00 79.04 B H +ATOM 1639 HA3 GLY B 103 -47.357 1.351 18.105 1.00 79.04 B H +ATOM 1640 N ALA B 104 -46.038 0.834 20.447 1.00 79.07 B N +ATOM 1641 CA ALA B 104 -45.156 0.398 21.548 1.00 77.99 B C +ATOM 1642 C ALA B 104 -45.799 -0.758 22.314 1.00 86.04 B C +ATOM 1643 O ALA B 104 -46.917 -0.562 22.840 1.00 78.13 B O +ATOM 1644 CB ALA B 104 -44.885 1.560 22.466 1.00 80.65 B C +ATOM 1645 H ALA B 104 -47.038 0.842 20.591 1.00 79.07 B H +ATOM 1646 HA ALA B 104 -44.307 0.078 21.161 1.00 77.99 B H +ATOM 1647 HB1 ALA B 104 -44.305 1.274 23.189 1.00 80.65 B H +ATOM 1648 HB2 ALA B 104 -44.453 2.272 21.969 1.00 80.65 B H +ATOM 1649 HB3 ALA B 104 -45.723 1.886 22.834 1.00 80.65 B H +ATOM 1650 N ASP B 105 -45.085 -1.889 22.389 1.00 86.89 B N +ATOM 1651 CA ASP B 105 -45.459 -3.092 23.173 1.00 75.99 B C +ATOM 1652 C ASP B 105 -44.198 -3.720 23.759 1.00 82.79 B C +ATOM 1653 O ASP B 105 -43.096 -3.423 23.258 1.00 79.20 B O +ATOM 1654 CB ASP B 105 -46.133 -4.150 22.307 1.00 69.32 B C +ATOM 1655 CG ASP B 105 -47.078 -5.073 23.055 1.00 69.08 B C +ATOM 1656 OD1 ASP B 105 -47.404 -4.774 24.214 1.00 70.66 B O +ATOM 1657 OD2 ASP B 105 -47.519 -6.069 22.446 1.00 75.91 B O +ATOM 1658 H ASP B 105 -44.226 -1.895 21.858 1.00 86.89 B H +ATOM 1659 HA ASP B 105 -46.049 -2.813 23.912 1.00 75.99 B H +ATOM 1660 HB2 ASP B 105 -46.657 -3.697 21.615 1.00 69.32 B H +ATOM 1661 HB3 ASP B 105 -45.438 -4.711 21.905 1.00 69.32 B H +ATOM 1662 N TYR B 106 -44.389 -4.584 24.756 1.00 78.52 B N +ATOM 1663 CA TYR B 106 -43.339 -5.368 25.445 1.00 75.04 B C +ATOM 1664 C TYR B 106 -43.813 -6.817 25.609 1.00 78.84 B C +ATOM 1665 O TYR B 106 -45.032 -7.107 25.655 1.00 78.67 B O +ATOM 1666 CB TYR B 106 -43.000 -4.726 26.793 1.00 85.10 B C +ATOM 1667 CG TYR B 106 -44.107 -4.737 27.820 1.00 85.35 B C +ATOM 1668 CD1 TYR B 106 -45.104 -3.771 27.818 1.00 86.51 B C +ATOM 1669 CD2 TYR B 106 -44.136 -5.688 28.822 1.00 89.23 B C +ATOM 1670 CE1 TYR B 106 -46.109 -3.761 28.772 1.00 98.43 B C +ATOM 1671 CE2 TYR B 106 -45.137 -5.698 29.780 1.00 92.29 B C +ATOM 1672 CZ TYR B 106 -46.131 -4.737 29.752 1.00100.86 B C +ATOM 1673 OH TYR B 106 -47.120 -4.742 30.691 1.00111.30 B O +ATOM 1674 H TYR B 106 -45.351 -4.690 25.044 1.00 78.52 B H +ATOM 1675 HA TYR B 106 -42.523 -5.366 24.883 1.00 75.04 B H +ATOM 1676 HB2 TYR B 106 -42.224 -5.190 27.171 1.00 85.10 B H +ATOM 1677 HB3 TYR B 106 -42.734 -3.796 26.635 1.00 85.10 B H +ATOM 1678 HD1 TYR B 106 -45.089 -3.094 27.162 1.00 86.51 B H +ATOM 1679 HD2 TYR B 106 -43.460 -6.345 28.855 1.00 89.23 B H +ATOM 1680 HE1 TYR B 106 -46.776 -3.095 28.751 1.00 98.43 B H +ATOM 1681 HE2 TYR B 106 -45.146 -6.366 30.445 1.00 92.29 B H +ATOM 1682 HH TYR B 106 -47.657 -4.087 30.555 0.00111.30 B H +ATOM 1683 N LYS B 107 -42.858 -7.732 25.708 1.00 76.35 B N +ATOM 1684 CA LYS B 107 -43.144 -9.131 26.118 1.00 75.28 B C +ATOM 1685 C LYS B 107 -42.124 -9.580 27.163 1.00 66.20 B C +ATOM 1686 O LYS B 107 -40.993 -9.040 27.179 1.00 67.05 B O +ATOM 1687 CB LYS B 107 -43.190 -10.040 24.893 1.00 72.83 B C +ATOM 1688 CG LYS B 107 -44.516 -10.041 24.144 1.00 74.24 B C +ATOM 1689 CD LYS B 107 -45.736 -10.382 24.987 1.00 74.04 B C +ATOM 1690 CE LYS B 107 -47.017 -10.369 24.177 1.00 86.34 B C +ATOM 1691 NZ LYS B 107 -47.388 -8.994 23.754 1.00 91.70 B N +ATOM 1692 H LYS B 107 -41.907 -7.465 25.497 1.00 76.35 B H +ATOM 1693 HA LYS B 107 -44.042 -9.161 26.522 1.00 75.28 B H +ATOM 1694 HB2 LYS B 107 -42.478 -9.769 24.276 1.00 72.83 B H +ATOM 1695 HB3 LYS B 107 -42.985 -10.956 25.176 1.00 72.83 B H +ATOM 1696 HG2 LYS B 107 -44.657 -9.151 23.757 1.00 74.24 B H +ATOM 1697 HG3 LYS B 107 -44.463 -10.695 23.414 1.00 74.24 B H +ATOM 1698 HD2 LYS B 107 -45.612 -11.271 25.384 1.00 74.04 B H +ATOM 1699 HD3 LYS B 107 -45.810 -9.734 25.720 1.00 74.04 B H +ATOM 1700 HE2 LYS B 107 -46.908 -10.926 23.383 1.00 86.34 B H +ATOM 1701 HE3 LYS B 107 -47.744 -10.744 24.709 1.00 86.34 B H +ATOM 1702 HZ1 LYS B 107 -47.508 -8.470 24.485 1.00 91.70 B H +ATOM 1703 HZ2 LYS B 107 -48.155 -9.018 23.270 1.00 91.70 B H +ATOM 1704 HZ3 LYS B 107 -46.727 -8.641 23.243 1.00 91.70 B H +ATOM 1705 N ARG B 108 -42.573 -10.467 28.053 1.00 78.29 B N +ATOM 1706 CA ARG B 108 -41.752 -11.134 29.095 1.00 78.43 B C +ATOM 1707 C ARG B 108 -41.251 -12.457 28.514 1.00 72.96 B C +ATOM 1708 O ARG B 108 -42.034 -13.122 27.814 1.00 67.90 B O +ATOM 1709 CB ARG B 108 -42.572 -11.447 30.348 1.00 89.28 B C +ATOM 1710 CG ARG B 108 -43.391 -10.287 30.885 1.00 94.52 B C +ATOM 1711 CD ARG B 108 -43.471 -10.287 32.400 1.00 97.15 B C +ATOM 1712 NE ARG B 108 -43.262 -8.930 32.883 1.00109.23 B N +ATOM 1713 CZ ARG B 108 -44.168 -7.947 32.834 1.00106.67 B C +ATOM 1714 NH1 ARG B 108 -45.378 -8.163 32.337 1.00 95.25 B N +ATOM 1715 NH2 ARG B 108 -43.851 -6.742 33.287 1.00 98.00 B N +ATOM 1716 H ARG B 108 -43.557 -10.683 27.989 1.00 78.29 B H +ATOM 1717 HA ARG B 108 -40.981 -10.552 29.307 1.00 78.43 B H +ATOM 1718 HB2 ARG B 108 -43.187 -12.193 30.143 1.00 89.28 B H +ATOM 1719 HB3 ARG B 108 -41.955 -11.748 31.060 1.00 89.28 B H +ATOM 1720 HG2 ARG B 108 -42.987 -9.436 30.585 1.00 94.52 B H +ATOM 1721 HG3 ARG B 108 -44.307 -10.336 30.515 1.00 94.52 B H +ATOM 1722 HD2 ARG B 108 -44.356 -10.630 32.679 1.00 97.15 B H +ATOM 1723 HD3 ARG B 108 -42.785 -10.901 32.762 1.00 97.15 B H +ATOM 1724 HE ARG B 108 -42.463 -8.730 33.244 1.00109.23 B H +ATOM 1725 HH11 ARG B 108 -45.596 -8.979 32.028 1.00 95.25 B H +ATOM 1726 HH12 ARG B 108 -45.977 -7.493 32.310 1.00 95.25 B H +ATOM 1727 HH21 ARG B 108 -43.031 -6.592 33.624 1.00 98.00 B H +ATOM 1728 HH22 ARG B 108 -44.457 -6.079 33.256 1.00 98.00 B H +ATOM 1729 N ILE B 109 -39.997 -12.818 28.770 1.00 65.65 B N +ATOM 1730 CA ILE B 109 -39.486 -14.193 28.478 1.00 63.51 B C +ATOM 1731 C ILE B 109 -38.773 -14.730 29.713 1.00 57.91 B C +ATOM 1732 O ILE B 109 -37.933 -13.963 30.288 1.00 55.67 B O +ATOM 1733 CB ILE B 109 -38.522 -14.177 27.295 1.00 62.09 B C +ATOM 1734 CG1 ILE B 109 -39.190 -13.633 26.037 1.00 62.86 B C +ATOM 1735 CG2 ILE B 109 -37.962 -15.566 27.086 1.00 67.92 B C +ATOM 1736 CD1 ILE B 109 -38.225 -13.301 24.956 1.00 63.96 B C +ATOM 1737 H ILE B 109 -39.372 -12.136 29.176 1.00 65.65 B H +ATOM 1738 HA ILE B 109 -40.247 -14.770 28.287 1.00 63.51 B H +ATOM 1739 HB ILE B 109 -37.774 -13.574 27.530 1.00 62.09 B H +ATOM 1740 HG12 ILE B 109 -39.826 -14.302 25.704 1.00 62.86 B H +ATOM 1741 HG13 ILE B 109 -39.696 -12.827 26.273 1.00 62.86 B H +ATOM 1742 HG21 ILE B 109 -37.486 -15.851 27.885 1.00 67.92 B H +ATOM 1743 HG22 ILE B 109 -37.344 -15.560 26.334 1.00 67.92 B H +ATOM 1744 HG23 ILE B 109 -38.688 -16.188 26.904 1.00 67.92 B H +ATOM 1745 HD11 ILE B 109 -37.602 -12.624 25.272 1.00 63.96 B H +ATOM 1746 HD12 ILE B 109 -38.707 -12.960 24.182 1.00 63.96 B H +ATOM 1747 HD13 ILE B 109 -37.732 -14.100 24.703 1.00 63.96 B H +ATOM 1748 N THR B 110 -39.081 -15.970 30.099 1.00 55.43 B N +ATOM 1749 CA THR B 110 -38.412 -16.636 31.247 1.00 58.66 B C +ATOM 1750 C THR B 110 -37.209 -17.407 30.694 1.00 52.28 B C +ATOM 1751 O THR B 110 -37.386 -18.151 29.733 1.00 54.81 B O +ATOM 1752 CB THR B 110 -39.387 -17.495 32.059 1.00 65.53 B C +ATOM 1753 CG2 THR B 110 -38.725 -18.136 33.258 1.00 67.18 B C +ATOM 1754 OG1 THR B 110 -40.464 -16.692 32.548 1.00 74.00 B O +ATOM 1755 H THR B 110 -39.796 -16.469 29.588 1.00 55.43 B H +ATOM 1756 HA THR B 110 -38.097 -15.933 31.867 1.00 58.66 B H +ATOM 1757 HB THR B 110 -39.742 -18.204 31.468 1.00 65.53 B H +ATOM 1758 HG1 THR B 110 -40.993 -17.170 32.991 0.00 74.00 B H +ATOM 1759 HG21 THR B 110 -37.985 -18.718 32.956 1.00 67.18 B H +ATOM 1760 HG22 THR B 110 -39.388 -18.680 33.751 1.00 67.18 B H +ATOM 1761 HG23 THR B 110 -38.368 -17.433 33.854 1.00 67.18 B H +ATOM 1762 N VAL B 111 -36.021 -17.131 31.218 1.00 55.48 B N +ATOM 1763 CA VAL B 111 -34.805 -17.958 30.990 1.00 59.78 B C +ATOM 1764 C VAL B 111 -34.476 -18.758 32.253 1.00 61.08 B C +ATOM 1765 O VAL B 111 -34.266 -18.123 33.320 1.00 59.14 B O +ATOM 1766 CB VAL B 111 -33.600 -17.100 30.605 1.00 56.97 B C +ATOM 1767 CG1 VAL B 111 -32.364 -17.976 30.419 1.00 54.36 B C +ATOM 1768 CG2 VAL B 111 -33.908 -16.293 29.362 1.00 57.33 B C +ATOM 1769 H VAL B 111 -35.956 -16.310 31.802 1.00 55.48 B H +ATOM 1770 HA VAL B 111 -34.993 -18.590 30.273 1.00 59.78 B H +ATOM 1771 HB VAL B 111 -33.437 -16.471 31.351 1.00 56.97 B H +ATOM 1772 HG11 VAL B 111 -32.169 -18.443 31.250 1.00 54.36 B H +ATOM 1773 HG12 VAL B 111 -31.605 -17.419 30.174 1.00 54.36 B H +ATOM 1774 HG13 VAL B 111 -32.529 -18.626 29.714 1.00 54.36 B H +ATOM 1775 HG21 VAL B 111 -34.118 -16.895 28.627 1.00 57.33 B H +ATOM 1776 HG22 VAL B 111 -33.135 -15.751 29.127 1.00 57.33 B H +ATOM 1777 HG23 VAL B 111 -34.670 -15.713 29.532 1.00 57.33 B H +ATOM 1778 N LYS B 112 -34.385 -20.086 32.106 1.00 60.91 B N +ATOM 1779 CA LYS B 112 -33.847 -21.014 33.140 1.00 63.99 B C +ATOM 1780 C LYS B 112 -32.450 -21.470 32.695 1.00 64.94 B C +ATOM 1781 O LYS B 112 -32.220 -21.666 31.472 1.00 56.93 B O +ATOM 1782 CB LYS B 112 -34.755 -22.225 33.350 1.00 63.89 B C +ATOM 1783 CG LYS B 112 -36.236 -21.934 33.579 1.00 73.73 B C +ATOM 1784 CD LYS B 112 -36.607 -21.568 34.994 1.00 85.30 B C +ATOM 1785 CE LYS B 112 -37.426 -22.633 35.694 1.00 86.84 B C +ATOM 1786 NZ LYS B 112 -38.835 -22.668 35.234 1.00 73.40 B N +ATOM 1787 H LYS B 112 -34.709 -20.463 31.227 1.00 60.91 B H +ATOM 1788 HA LYS B 112 -33.774 -20.524 33.991 1.00 63.99 B H +ATOM 1789 HB2 LYS B 112 -34.678 -22.811 32.568 1.00 63.89 B H +ATOM 1790 HB3 LYS B 112 -34.423 -22.734 34.119 1.00 63.89 B H +ATOM 1791 HG2 LYS B 112 -36.502 -21.191 32.997 1.00 73.73 B H +ATOM 1792 HG3 LYS B 112 -36.753 -22.729 33.329 1.00 73.73 B H +ATOM 1793 HD2 LYS B 112 -35.787 -21.411 35.509 1.00 85.30 B H +ATOM 1794 HD3 LYS B 112 -37.119 -20.731 34.984 1.00 85.30 B H +ATOM 1795 HE2 LYS B 112 -37.027 -23.509 35.535 1.00 86.84 B H +ATOM 1796 HE3 LYS B 112 -37.419 -22.471 36.656 1.00 86.84 B H +ATOM 1797 HZ1 LYS B 112 -39.229 -21.867 35.392 1.00 73.40 B H +ATOM 1798 HZ2 LYS B 112 -39.286 -23.319 35.676 1.00 73.40 B H +ATOM 1799 HZ3 LYS B 112 -38.863 -22.841 34.344 1.00 73.40 B H +ATOM 1800 N VAL B 113 -31.544 -21.641 33.652 1.00 57.41 B N +ATOM 1801 CA VAL B 113 -30.152 -22.088 33.363 1.00 61.52 B C +ATOM 1802 C VAL B 113 -29.937 -23.457 33.989 1.00 57.13 B C +ATOM 1803 O VAL B 113 -30.208 -23.614 35.185 1.00 64.54 B O +ATOM 1804 CB VAL B 113 -29.107 -21.087 33.854 1.00 57.19 B C +ATOM 1805 CG1 VAL B 113 -27.713 -21.639 33.633 1.00 61.76 B C +ATOM 1806 CG2 VAL B 113 -29.291 -19.740 33.153 1.00 62.94 B C +ATOM 1807 H VAL B 113 -31.815 -21.460 34.608 1.00 57.41 B H +ATOM 1808 HA VAL B 113 -30.049 -22.169 32.398 1.00 61.52 B H +ATOM 1809 HB VAL B 113 -29.259 -20.956 34.822 1.00 57.19 B H +ATOM 1810 HG11 VAL B 113 -27.612 -22.473 34.124 1.00 61.76 B H +ATOM 1811 HG12 VAL B 113 -27.055 -20.995 33.948 1.00 61.76 B H +ATOM 1812 HG13 VAL B 113 -27.575 -21.804 32.684 1.00 61.76 B H +ATOM 1813 HG21 VAL B 113 -29.191 -19.857 32.192 1.00 62.94 B H +ATOM 1814 HG22 VAL B 113 -28.621 -19.112 33.474 1.00 62.94 B H +ATOM 1815 HG23 VAL B 113 -30.179 -19.392 33.346 1.00 62.94 B H +ATOM 1816 N ASN B 114 -29.525 -24.415 33.174 1.00 56.68 B N +ATOM 1817 CA ASN B 114 -29.259 -25.799 33.613 1.00 48.92 B C +ATOM 1818 C ASN B 114 -27.753 -25.942 33.759 1.00 55.42 B C +ATOM 1819 O ASN B 114 -27.033 -25.615 32.789 1.00 52.59 B O +ATOM 1820 CB ASN B 114 -29.812 -26.792 32.615 1.00 58.03 B C +ATOM 1821 CG ASN B 114 -29.570 -28.195 33.106 1.00 62.45 B C +ATOM 1822 ND2 ASN B 114 -28.931 -28.993 32.281 1.00 59.54 B N +ATOM 1823 OD1 ASN B 114 -29.901 -28.524 34.245 1.00 61.90 B O +ATOM 1824 H ASN B 114 -29.390 -24.172 32.203 1.00 56.68 B H +ATOM 1825 HA ASN B 114 -29.694 -25.939 34.487 1.00 48.92 B H +ATOM 1826 HB2 ASN B 114 -30.770 -26.626 32.499 1.00 58.03 B H +ATOM 1827 HB3 ASN B 114 -29.377 -26.648 31.750 1.00 58.03 B H +ATOM 1828 HD21 ASN B 114 -28.761 -29.828 32.516 1.00 59.54 B H +ATOM 1829 HD22 ASN B 114 -28.671 -28.695 31.490 1.00 59.54 B H +TER +END diff --git a/models/rfd3/docs/tutorials/na_binder_tutorial.md b/models/rfd3/docs/tutorials/na_binder_tutorial.md index 2288bcb5..2471265c 100644 --- a/models/rfd3/docs/tutorials/na_binder_tutorial.md +++ b/models/rfd3/docs/tutorials/na_binder_tutorial.md @@ -60,9 +60,9 @@ In this tutorial, we will be briefly describing each of the settings we will be ```json "length": "157-177", ``` -1. For the purposes of this design, we happen to know that residues B251-B255 are important to include in our design, but it does not matter where they end up in our final structure. This is referred to as an 'unindexed motif' in the documentation. To include them, we will add the `undindex` option: +1. For the purposes of this design, we happen to know that residues B251-255 are important to include in our design, but it does not matter where they end up in our final structure. This is referred to as an 'unindexed motif' in the documentation. To include them, we will add the `undindex` option: ```json - "unindex": "/0,/0,B251-B255", + "unindex": "/0,/0,B251-255", ``` Here we have two chain breaks before our unindexed motif to correspond to the contig string, these residues will go in the third chain of the output structure. 1. Next, the portions of our input structure we specified in the `contig` string are automatically held fixed, however it is useful to let some of these residues move in response to the the designed portions of our structure. Here we want certain portions of our DNA strands to be stationary (the middle sections) while the portions towards either end of the double helix can relax: