diff --git a/Scop3P_API.ipynb b/Scop3P_API.ipynb deleted file mode 100644 index dcbcaee..0000000 --- a/Scop3P_API.ipynb +++ /dev/null @@ -1,405 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "00c49e34-1e1d-4613-838a-151b3f3ab427", - "metadata": {}, - "source": [ - "# Scop3P\n", - "\n", - "A comprehensive database of human phosphosites within their full context. Scop3P integrates sequences (UniProtKB/Swiss-Prot), structures (PDB), and uniformly reprocessed phosphoproteomics data (PRIDE) to annotate all known human phosphosites. \n", - "\n", - "Scop3P, available at https://iomics.ugent.be/scop3p, presents a unique resource for visualization and analysis of phosphosites and for understanding of phosphosite structure–function relationships.\n", - "\n", - "Please cite: https://doi.org/10.1021/acs.jproteome.0c00306" - ] - }, - { - "cell_type": "markdown", - "id": "2db68218-a523-4ad0-80eb-c3b108c5c651", - "metadata": {}, - "source": [ - "## Install Dependencies" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "12fff9d2-f542-4b8f-abc5-6c5714edc3b6", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "!pip install pandas matplotlib seaborn" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "1dc399cb-0c90-4c79-9a98-9b1d5930260b", - "metadata": {}, - "outputs": [], - "source": [ - "import requests\n", - "import pandas as pd\n", - "import numpy as np\n", - "import matplotlib.pyplot as plt\n", - "import seaborn as sns\n", - "sns.set(style=\"darkgrid\", font_scale=1)" - ] - }, - { - "cell_type": "markdown", - "id": "c4e37259-cad3-4046-b7db-4a8835193b68", - "metadata": {}, - "source": [ - "## Target protein" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "f06ced6f-7b60-4cf2-a2bd-f5baa1015ed7", - "metadata": {}, - "outputs": [], - "source": [ - "target_accession = \"O00571\"" - ] - }, - { - "cell_type": "markdown", - "id": "ee3fc907-4b97-4797-9581-fbcbfe95da27", - "metadata": {}, - "source": [ - "## API Request\n", - "\n", - "These functions make GET requests to UniProt and SCOP3P API endpoints for a given protein accession ID and returns the responses. It uses the requests library for HTTP requests.\n", - "\n", - "- Fetch sequence of amino acids from UniProt: Returns the protein sequence in string format.\n", - "- Fetch modifications from Scop3P: Returns the modifications in JSON format." - ] - }, - { - "cell_type": "markdown", - "id": "d222d6e7-15f7-4d7f-a954-de9c33fb6386", - "metadata": {}, - "source": [ - "### Fetch protein sequence from UniProt" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "c5f84c66-f85f-4db8-9052-665c6b2e55f1", - "metadata": {}, - "outputs": [], - "source": [ - "def fetch_sequence_aminoacids(accession):\n", - " BASE_URL = f\"http://uniprot.org/uniprotkb/{target_accession}.fasta\"\n", - " url = f'{BASE_URL}?accession={accession}'\n", - " response = requests.get(url)\n", - " if response.status_code == 200:\n", - " raw_fasta_sequence = response.content.decode(\"utf-8\")\n", - " else:\n", - " raw_fasta_sequence = \"\"\n", - " \n", - " lines = raw_fasta_sequence.split('\\n')\n", - " protein_id = str(lines[0])\n", - " amino_acids = \"\".join([str(l) for l in lines[1:]])\n", - " \n", - " return protein_id, amino_acids" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "4ee969ea-f01f-4253-a24a-74763176ad25", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "O00571: 662 amino acids\n" - ] - } - ], - "source": [ - "target_protein_id, target_amino_acids = fetch_sequence_aminoacids(target_accession)\n", - "target_length = len(target_amino_acids)\n", - "\n", - "print(f\"{target_accession}: {target_length} amino acids\")" - ] - }, - { - "cell_type": "markdown", - "id": "9692c40b-e17e-4eed-8873-ead3d1290638", - "metadata": {}, - "source": [ - "### Fetch modifications from Scop3P" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "25e57d6a-09c1-450c-949b-9e656027b26a", - "metadata": {}, - "outputs": [], - "source": [ - "def fetch_protein_modifications(accession):\n", - " \"\"\"\n", - " Fetches protein modifications for a given UniProt ID.\n", - "\n", - " Parameters:\n", - " accession (str): UniProt ID of the protein.\n", - "\n", - " Returns:\n", - " dict: A dictionary containing protein modifications.\n", - " \"\"\"\n", - " BASE_URL = \"https://iomics.ugent.be/scop3p/api/modifications\"\n", - " url = f'{BASE_URL}?accession={accession}'\n", - " headers = {'accept': 'application/json'}\n", - " response = requests.get(url, headers=headers)\n", - " if response.status_code == 200:\n", - " return response.json()\n", - " else:\n", - " return None" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "250e4208-0e3a-4c46-ac54-ed111444f957", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "scop3P_results = fetch_protein_modifications(target_accession)\n", - "\n", - "protein_name = scop3P_results['proteinName']\n", - "entry_name = scop3P_results['entryName']\n", - "accession = scop3P_results['accession']\n", - "url = scop3P_results['url']\n", - "modifications = scop3P_results['modifications']\n", - "\n", - "assert target_accession == accession, \"The response's accession doesn't match with the requested one\"" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "id": "1e4ad762-641a-421c-82ee-a3c9992a47eb", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - "--------------------------------------------------------------------------------\n", - "Scop3P: A Comprehensive Resource of Human Phosphosites within Their Full Context\n", - "--------------------------------------------------------------------------------\n", - "\n", - "Here are some details for your protein O00571\n", - "\n", - "Entry name: DDX3X_HUMAN\n", - "Protein names: ATP-dependent RNA helicase DDX3X (EC 3.6.4.13) (DEAD box protein 3, X-chromosomal) (DEAD box, X isoform) (Helicase-like protein 2) (HLP2)\n", - "\n", - "Phospho-sites found: 37 entries.\n", - "\n", - "Full entry available on Scop3P website: https://iomics.ugent.be/scop3p/index?protein=O00571\n", - "\n", - "--------------------------------------------------------------------------------\n", - "\n" - ] - } - ], - "source": [ - "print(\"\"\"\n", - "--------------------------------------------------------------------------------\n", - "Scop3P: A Comprehensive Resource of Human Phosphosites within Their Full Context\n", - "--------------------------------------------------------------------------------\n", - "\n", - "Here are some details for your protein {0}\n", - "\n", - "Entry name: {1}\n", - "Protein names: {2}\n", - "\n", - "Phospho-sites found: {3} entries.\n", - "\n", - "Full entry available on Scop3P website: {4}\n", - "\n", - "--------------------------------------------------------------------------------\n", - "\"\"\".format(accession, entry_name, protein_name, len(modifications),url))" - ] - }, - { - "cell_type": "markdown", - "id": "cc54392c-3610-4b5b-a27d-fa9d89599c30", - "metadata": {}, - "source": [ - "## Data parsing\n", - "\n", - "For parsing the JSON as a table, we'll use pandas library." - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "id": "0b810e9d-2073-46b7-a90a-615b0939be1b", - "metadata": {}, - "outputs": [], - "source": [ - "def get_modification_table(modifications):\n", - " \"\"\"\n", - " Displays the protein modifications in a pandas DataFrame.\n", - "\n", - " Parameters:\n", - " modifications (list): A list of dictionaries, each representing a protein modification.\n", - " \"\"\"\n", - " df = pd.DataFrame(modifications)\n", - " df = df[['residue', 'name', 'evidence', 'position', 'source', 'reference', 'functionalScore',\\\n", - " 'specificSinglyPhosphorylated']]\n", - " df=df.drop('reference',axis=1)\n", - " df.columns=['Modified_residue', 'Modification_name', 'UniProt_evidence', 'Modified_position',\\\n", - " 'Source', 'functionalScore', 'Singly phosphorylted in peptide?']\n", - " \n", - " return df \n", - " \n", - "modification_table = get_modification_table(modifications)\n", - "\n", - "display(modification_table)" - ] - }, - { - "cell_type": "markdown", - "id": "8f9412f2-84a8-4503-8cac-9a32b531b7df", - "metadata": {}, - "source": [ - "## Plotting Results\n", - "\n", - "For plotting, we want to visualize the distribution of functional scores for the protein modifications and the phospho-sites per residue. \n", - "- We'll use seaborn library." - ] - }, - { - "cell_type": "markdown", - "id": "7ef53690-1be2-419a-9352-dc1f8d1822b6", - "metadata": {}, - "source": [ - "### Functional scores" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "id": "28db6110-8fb4-4503-911b-e9d67409fa99", - "metadata": {}, - "outputs": [], - "source": [ - "def plot_functional_scores(modifications):\n", - " \"\"\"\n", - " Plots the distribution of functional scores for protein modifications.\n", - "\n", - " Parameters:\n", - " modifications (list): A list of modification dictionaries.\n", - " \"\"\"\n", - " # Filter out modifications with a null functionalScore\n", - " functional_scores = modifications['functionalScore']\n", - "\n", - " plt.figure(figsize=(10, 6))\n", - " sns.histplot(functional_scores,color='indianred',kde=True,kde_kws=dict(cut=3),bins=10)\n", - " plt.title('Distribution of Functional Scores')\n", - " plt.xlabel('Functional Score')\n", - " plt.ylabel('Frequency')\n", - " plt.show()\n", - "\n", - "plot_functional_scores(modification_table)" - ] - }, - { - "cell_type": "markdown", - "id": "57aab64a-4818-4ff0-ac25-d6a2c2330155", - "metadata": {}, - "source": [ - "### Phospho-sites per position" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "id": "af775224-0a81-482c-a62e-e81439240259", - "metadata": {}, - "outputs": [], - "source": [ - "# def plot_modifications_by_position(df, sequence_length, position_col='Modified_position', name_col='Modified_residue', label_interval=25):\n", - "# \"\"\"\n", - "# Plots a bar plot showing the number of modifications at each position in the protein sequence,\n", - "# grouped by modification name, covering the entire sequence length.\n", - "\n", - "# Parameters:\n", - "# df (pd.DataFrame): DataFrame containing the modifications data.\n", - "# sequence_length (int): The total length of the protein sequence.\n", - "# position_col (str): Name of the column in df that represents the position of the modification.\n", - "# name_col (str): Name of the column in df that represents the name of the modification.\n", - "# \"\"\"\n", - "# # Group by position and name, then count occurrences\n", - "# modification_counts = df.groupby([position_col, name_col]).size().reset_index(name='counts')\n", - " \n", - "# # Pivot the data for plotting\n", - "# pivot_df = modification_counts.pivot(index=position_col, columns=name_col, values='counts').fillna(0)\n", - " \n", - "# # Ensure all positions are represented up to the sequence length\n", - "# all_positions = pd.DataFrame(index=np.arange(1, sequence_length + 1))\n", - "# pivot_df = all_positions.join(pivot_df).fillna(0)\n", - " \n", - "# # Plot\n", - "# pivot_df.plot(kind='bar', stacked=True, figsize=(12, 6), width=1)\n", - "# plt.title('Modifications by Position and Type')\n", - "# plt.xlabel('Position')\n", - "# plt.ylabel('Number of Modifications')\n", - " \n", - "# # Reduce the number of x-axis labels for better readability\n", - "# ticks_to_show = np.arange(0, sequence_length + 1, label_interval)\n", - "# plt.xticks(ticks=ticks_to_show, labels=ticks_to_show, rotation=45)\n", - " \n", - "# plt.legend(title='Modification Type', bbox_to_anchor=(1.05, 1), loc='upper left')\n", - "# plt.tight_layout(rect=[0, 0, 0.85, 1]) # Adjust layout to make room for the legend\n", - "\n", - "# plt.show()\n", - "\n", - "\n", - "# plot_modifications_by_position(modification_table, target_length)" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "fcd3e4a1", - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.10.12" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/Scop3P_PTM_structure_viz.ipynb b/Scop3P_PTM_structure_viz.ipynb deleted file mode 100644 index 25a9c47..0000000 --- a/Scop3P_PTM_structure_viz.ipynb +++ /dev/null @@ -1,1370 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "3a5dd7d4-467d-4aba-9355-04b482638ea7", - "metadata": {}, - "source": [ - "# Scop3P\n", - "\n", - "A comprehensive database of human phosphosites within their full context. Scop3P integrates sequences (UniProtKB/Swiss-Prot), structures (PDB), and uniformly reprocessed phosphoproteomics data (PRIDE) to annotate all known human phosphosites. \n", - "\n", - "Scop3P, available at https://iomics.ugent.be/scop3p, presents a unique resource for visualization and analysis of phosphosites and for understanding of phosphosite structure–function relationships.\n", - "\n", - "Please cite: https://doi.org/10.1021/acs.jproteome.0c00306" - ] - }, - { - "cell_type": "markdown", - "id": "2bb1e9ff-c789-4c96-b71d-5da2af53b437", - "metadata": {}, - "source": [ - "## Install Dependencies" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "ba367321-b7ac-44b9-98c0-c800fd1ae008", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "!jupyter labextension install jupyterlab_3dmol\n", - "!pip install pandas matplotlib py3Dmol b2btools==3.0.7b2 pyvis ipycytoscape\n" - ] - }, - { - "cell_type": "code", - "execution_count": 58, - "id": "62a30299-1084-4700-a8ed-64f77b68c0c5", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "import requests, tempfile,json\n", - "import pandas as pd \n", - "from b2bTools import SingleSeq, constants\n", - "import py3Dmol" - ] - }, - { - "cell_type": "markdown", - "id": "c2dc9e1f-97d2-45a8-a21a-b7258664d265", - "metadata": {}, - "source": [ - "## Target protein" - ] - }, - { - "cell_type": "code", - "execution_count": 59, - "id": "bd5e0bc6-c9ee-485f-9a7c-3adc53f7cd66", - "metadata": {}, - "outputs": [], - "source": [ - "TARGET_PROTEIN_ID = \"P07949\" # Write here the Protein ID of your protein of interest\n", - "PDB_ID = \"2IVT\" # Write here the PDB ID of your protein of interest" - ] - }, - { - "cell_type": "markdown", - "id": "2e622d9b-1922-4851-ab6b-41ae0d62c395", - "metadata": {}, - "source": [ - "## API Request\n", - "\n", - "This function makes a GET request to Scop3P API endpoint for a given protein accession ID and returns the protein sequence in string format." - ] - }, - { - "cell_type": "code", - "execution_count": 60, - "id": "87d604d4-ba1a-4acb-94b7-0481abe40fac", - "metadata": {}, - "outputs": [], - "source": [ - "def fetch_protein_modifications(accession):\n", - " \"\"\"\n", - " Fetches protein modifications for a given UniProt ID.\n", - "\n", - " Parameters:\n", - " accession (str): UniProt ID of the protein.\n", - "\n", - " Returns:\n", - " dict: A dictionary containing protein modifications.\n", - " \"\"\"\n", - " BASE_URL = \"https://iomics.ugent.be/scop3p/api/modifications\"\n", - " url = f'{BASE_URL}?accession={accession}'\n", - " headers = {'accept': 'application/json'}\n", - " response = requests.get(url, headers=headers)\n", - " if response.status_code == 200:\n", - " return response.json()\n", - " else:\n", - " return None" - ] - }, - { - "cell_type": "markdown", - "id": "c09ac2da-0a01-4b83-97ba-96c9fa9fb598", - "metadata": {}, - "source": [ - "## Data parsing\n", - "\n", - "For parsing the JSON as a table, we'll use pandas library." - ] - }, - { - "cell_type": "code", - "execution_count": 61, - "id": "fdd2c83a-bbdf-4ccd-993f-92078980fd9a", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - "--------------------------------------------------------------------------------\n", - "Scop3P: A Comprehensive Resource of Human Phosphosites within Their Full Context\n", - "--------------------------------------------------------------------------------\n", - "\n", - "RET_HUMAN:Proto-oncogene tyrosine-protein kinase receptor Ret (EC 2.7.10.1) (Cadherin family member 12) (Proto-oncogene c-Ret) [Cleaved into: Soluble RET kinase fragment; Extracellular cell-membrane anchored RET cadherin 120 kDa fragment]\n", - "\n", - "Phospho-sites found: 9 entries.\n", - "\n", - "Full entry available on SCOP3P website: https://iomics.ugent.be/scop3p/index?protein=P07949\n", - "\n" - ] - } - ], - "source": [ - "scop3P_results = fetch_protein_modifications(TARGET_PROTEIN_ID)\n", - "\n", - "protein_name = scop3P_results['proteinName']\n", - "entry_name = scop3P_results['entryName']\n", - "accession = scop3P_results['accession']\n", - "url = scop3P_results['url']\n", - "modifications = scop3P_results['modifications']\n", - "\n", - "print(\"\"\"\n", - "--------------------------------------------------------------------------------\n", - "Scop3P: A Comprehensive Resource of Human Phosphosites within Their Full Context\n", - "--------------------------------------------------------------------------------\n", - "\n", - "{0}:{1}\n", - "\n", - "Phospho-sites found: {3} entries.\n", - "\n", - "Full entry available on SCOP3P website: {2}\n", - "\"\"\".format(entry_name, protein_name, url, len(modifications)))" - ] - }, - { - "cell_type": "code", - "execution_count": 104, - "id": "51c73c52-5955-45d9-9d9d-fa3fe6069bfb", - "metadata": {}, - "outputs": [], - "source": [ - "def get_modification_table(modifications):\n", - " \"\"\"\n", - " Displays the protein modifications in a pandas DataFrame.\n", - "\n", - " Parameters:\n", - " modifications (list): A list of dictionaries, each representing a protein modification.\n", - " \"\"\"\n", - " df = pd.DataFrame(modifications)\n", - " df = df[['residue', 'name', 'evidence', 'position', 'source', 'reference', 'functionalScore', 'specificSinglyPhosphorylated']]\n", - " \n", - " return df \n", - " \n", - "modification_table = get_modification_table(modifications)\n", - "display(modification_table)" - ] - }, - { - "cell_type": "markdown", - "id": "98e42ffe-505f-4d29-a049-5bb56396b942", - "metadata": {}, - "source": [ - "### Get Disease causing variants from UniProt using API" - ] - }, - { - "cell_type": "code", - "execution_count": 63, - "id": "353ffcec-1839-4083-8bca-16cc9370b723", - "metadata": {}, - "outputs": [], - "source": [ - "import requests\n", - "import pandas as pd\n", - "\n", - "ACC = \"P07949\"\n", - "url = f\"https://www.ebi.ac.uk/proteins/api/variation/{ACC}\"\n", - "headers = {\"Accept\": \"application/json\"}\n", - "\n", - "r = requests.get(url, headers=headers)\n", - "r.raise_for_status()\n", - "data = r.json()\n", - "\n", - "rows = []\n", - "\n", - "for feat in data.get(\"features\", []):\n", - " if feat.get(\"type\") != \"VARIANT\":\n", - " continue\n", - "\n", - " for assoc in feat.get(\"association\", []):\n", - " if assoc.get(\"disease\") is not True:\n", - " continue\n", - "\n", - " rows.append({\n", - " \"ACC_ID\": ACC,\n", - " \"position\": int(feat.get(\"begin\")),\n", - " \"WT\": feat.get(\"wildType\"),\n", - " \"MT\": feat.get(\"mutatedType\"),\n", - " \"consequence\": feat.get(\"consequenceType\"),\n", - " \"disease_name\": assoc.get(\"name\"),\n", - " \"disease_description\": assoc.get(\"description\"),\n", - " \"source_type\": feat.get(\"sourceType\")\n", - " # \"somatic_status\": feat.get(\"somaticStatus\"),\n", - " # \"genomic_location\": \";\".join(feat.get(\"genomicLocation\", [])),\n", - " # \"cytoband\": feat.get(\"cytogeneticBand\")\n", - " })\n", - "\n", - "mut_table = pd.DataFrame(rows)\n" - ] - }, - { - "cell_type": "code", - "execution_count": 103, - "id": "a1113ac2-9418-4628-aa25-615bc8e277e0", - "metadata": { - "scrolled": true - }, - "outputs": [], - "source": [ - "mut_table" - ] - }, - { - "cell_type": "markdown", - "id": "07038b8d-ba1e-4f2e-9c60-74e1b353937e", - "metadata": {}, - "source": [ - "## Rendering results\n", - "\n", - "For visualizing the 3D structure, we'll use py3Dmol library." - ] - }, - { - "cell_type": "markdown", - "id": "9702c23f", - "metadata": {}, - "source": [ - "## Let's get AlphaFold model for the target protein\n" - ] - }, - { - "cell_type": "code", - "execution_count": 65, - "id": "6192377b", - "metadata": {}, - "outputs": [], - "source": [ - "## Get alphaFold model for the protein\n", - "import urllib.request\n", - "AFurl=\"https://alphafold.ebi.ac.uk/files/AF-\"\n", - "modelurl = f'{AFurl}{accession}{\"-F1-model_v6.pdb\"}'\n", - "AFmodel = urllib.request.urlretrieve(modelurl,f'{accession}{\".pdb\"}')\n" - ] - }, - { - "cell_type": "markdown", - "id": "41b5d7c5", - "metadata": {}, - "source": [ - "## Rendering results\n", - "\n", - "For visualizing the 3D structure, we'll use py3Dmol library." - ] - }, - { - "cell_type": "code", - "execution_count": 51, - "id": "157e10c3", - "metadata": {}, - "outputs": [], - "source": [ - "import py3Dmol\n", - "\n", - "def display_3D(modification_table, accession):\n", - " view = py3Dmol.view(width=700, height=500)\n", - " view.addModel(open(accession + '.pdb', 'r').read(), 'pdb')\n", - "\n", - " view.setStyle({}, {'cartoon': {'color': 'silver'}})\n", - " view.addSurface(py3Dmol.VDW, {'opacity': 0.35, 'color': 'white'}, {})\n", - "\n", - " # --- Color phosphosites \n", - " for _, row in modification_table.iterrows():\n", - " position = str(row['position'])\n", - "\n", - " # Normalize residue label to avoid mismatches\n", - " residue = str(row['residue']).strip() # removes trailing spaces etc.\n", - "\n", - " if residue == 'TYR':\n", - " color = '#2CA02C'\n", - " elif residue == 'SER':\n", - " color = '#1F77B4'\n", - " elif residue == 'THR':\n", - " color = '#FF7F0E'\n", - " else:\n", - " color = '#7B241C'\n", - "\n", - " sel = {'resi': position} # add {'chain': row['chain']} if needed\n", - "\n", - " view.addStyle(sel, {'stick': {'color': color}})\n", - " view.addStyle(sel, {'sphere': {'color': color, 'radius': 0.9}})\n", - "\n", - " # --- Hover for ALL amino acids (all atoms) ---\n", - " view.setHoverable(\n", - " {}, True,\n", - " \"\"\"\n", - " function(atom, viewer, event, container) {\n", - " if(!atom.label) {\n", - " atom.label = viewer.addLabel(\n", - " atom.resn + \" \" + atom.resi + (atom.chain ? (\" : \" + atom.chain) : \"\"),\n", - " {position: atom, backgroundColor: 'mintcream', fontColor: 'black'}\n", - " );\n", - " }\n", - " }\n", - " \"\"\",\n", - " \"\"\"\n", - " function(atom, viewer) {\n", - " if(atom.label) {\n", - " viewer.removeLabel(atom.label);\n", - " delete atom.label;\n", - " }\n", - " }\n", - " \"\"\"\n", - " )\n", - "\n", - " view.zoomTo()\n", - " view.render()\n", - " return view\n" - ] - }, - { - "cell_type": "code", - "execution_count": 84, - "id": "83b2f132", - "metadata": {}, - "outputs": [], - "source": [ - "display_3D(modification_table,accession)" - ] - }, - { - "cell_type": "markdown", - "id": "bde07233", - "metadata": {}, - "source": [ - "### PDB structure mapping" - ] - }, - { - "cell_type": "code", - "execution_count": 56, - "id": "e15fc47d", - "metadata": {}, - "outputs": [], - "source": [ - "def display_3D(modification_table, pdb_id, chain=None):\n", - " view = py3Dmol.view(query=f\"pdb:{pdb_id}\")\n", - "\n", - " # Protein context\n", - " view.setStyle({}, {'cartoon': {'color': 'skyblue'}})\n", - "\n", - " # Global surface (NO hover expected here)\n", - " view.addSurface(py3Dmol.VDW, {'opacity': 0.6, 'color': 'white'}, {})\n", - "\n", - " # ---- Colored modified residues (ATOMS) ----\n", - " for _, row in modification_table.iterrows():\n", - " position = str(row['position'])\n", - " residue = str(row['residue']).strip()\n", - "\n", - " if residue == 'TYR':\n", - " color = '#2CA02C'\n", - " elif residue == 'SER':\n", - " color = '#1F77B4'\n", - " elif residue == 'THR':\n", - " color = '#FF7F0E'\n", - " else:\n", - " color = '#7B241C'\n", - "\n", - " sel = {'resi': position}\n", - " if chain:\n", - " sel['chain'] = chain\n", - "\n", - " # ATOMS → hover works\n", - " view.addStyle(sel, {'stick': {'color': color}})\n", - " view.addStyle(sel, {'sphere': {'color': color, 'radius': 0.9}})\n", - "\n", - " # ---- Hover for ALL amino acids ----\n", - " view.setHoverable(\n", - " {}, True,\n", - " \"\"\"\n", - " function(atom, viewer, event, container) {\n", - " if (!atom.label) {\n", - " atom.label = viewer.addLabel(\n", - " atom.resn + \" \" + atom.resi + (atom.chain ? (\" : \" + atom.chain) : \"\"),\n", - " {position: atom, backgroundColor: 'mintcream', fontColor: 'black'}\n", - " );\n", - " }\n", - " }\n", - " \"\"\",\n", - " \"\"\"\n", - " function(atom, viewer) {\n", - " if (atom.label) {\n", - " viewer.removeLabel(atom.label);\n", - " delete atom.label;\n", - " }\n", - " }\n", - " \"\"\"\n", - " )\n", - "\n", - " view.zoomTo()\n", - " view.render()\n", - " return view\n" - ] - }, - { - "cell_type": "code", - "execution_count": 85, - "id": "695e2f23", - "metadata": {}, - "outputs": [], - "source": [ - "display_3D(modification_table, pdb_id=\"6nja\", chain=\"A\")" - ] - }, - { - "cell_type": "markdown", - "id": "a3673c56", - "metadata": {}, - "source": [ - "## Mapping Biophysical properties on AF models\n", - "\n", - "For visualizing the 3D structure, we'll use py3Dmol library." - ] - }, - { - "cell_type": "markdown", - "id": "6b2b826c", - "metadata": {}, - "source": [ - "### Predict dynamic properties from Bio2Byte tools\n", - "\n", - "We will fetch the amino acid sequence from UniProtKB API" - ] - }, - { - "cell_type": "code", - "execution_count": 66, - "id": "054287d5", - "metadata": {}, - "outputs": [], - "source": [ - "def fetch_sequence_aminoacids(accession):\n", - " BASE_URL = f\"http://uniprot.org/uniprotkb/{accession}.fasta\"\n", - " url = f'{BASE_URL}?accession={accession}'\n", - " response = requests.get(url)\n", - " if response.status_code == 200:\n", - " raw_fasta_sequence = response.content.decode(\"utf-8\")\n", - " else:\n", - " raw_fasta_sequence = \"\"\n", - " \n", - " lines = raw_fasta_sequence.split('\\n')\n", - " protein_id = str(lines[0])\n", - " amino_acids = \"\".join([str(l) for l in lines[1:]])\n", - " \n", - " return protein_id, amino_acids" - ] - }, - { - "cell_type": "markdown", - "id": "571a92ad", - "metadata": {}, - "source": [ - "#### Predict Dynamic properties" - ] - }, - { - "cell_type": "code", - "execution_count": 67, - "id": "8c75dda7", - "metadata": {}, - "outputs": [], - "source": [ - "_protein_id, sequence = fetch_sequence_aminoacids(TARGET_PROTEIN_ID)" - ] - }, - { - "cell_type": "code", - "execution_count": 68, - "id": "a1beaf87", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "def predict_biophysical_features(accession, sequence):\n", - "\n", - " with tempfile.NamedTemporaryFile(prefix=\"seq_\", suffix=\".fasta\", mode=\"w\") as fp:\n", - " fp.write(f\">{accession}\\n{sequence}\\n\")\n", - " fp.flush()\n", - " fp.seek(0)\n", - " \n", - " pred = SingleSeq(fp.name).predict(tools=[constants.TOOL_DYNAMINE, constants.TOOL_DISOMINE, constants.TOOL_EFOLDMINE]).get_all_predictions()\n", - " \n", - " return pred\n", - "\n", - "\n", - "biophysical_features = predict_biophysical_features(TARGET_PROTEIN_ID, sequence)\n", - "\n", - "biophysical_features_target_protein = biophysical_features['proteins'][TARGET_PROTEIN_ID]" - ] - }, - { - "cell_type": "code", - "execution_count": 69, - "id": "af0814fc", - "metadata": {}, - "outputs": [], - "source": [ - "# values above 1.0 membrane spanning regions, \n", - "# Values above 0.8 indicate rigid conformations, \n", - "# Values between 0.69-0.80 are 'context' dependent and capable of being either rigid or flexible.\n", - "# values below 0.69 flexible regions. \n", - "\n", - "# phosphorylated = list(modifications_table['position'])\n", - "biophysical_features_target_protein['BD_label'] = []\n", - "biophysical_features_target_protein['DO_label'] = []\n", - "biophysical_features_target_protein['EF_label'] = []\n", - "# biophysical_features_target_protein['psites'] = []\n", - "\n", - "for index, residue in enumerate(biophysical_features_target_protein['seq']):\n", - " current_backbone = biophysical_features_target_protein['backbone'][index]\n", - " biophysical_features_target_protein['BD_label'].append(1 if current_backbone > 1 else 2 if current_backbone > 0.8 else 3 if current_backbone > 0.69 else 4)\n", - "\n", - " current_disorder_propensity = biophysical_features_target_protein['disoMine'][index]\n", - " biophysical_features_target_protein['DO_label'].append(1 if current_disorder_propensity > 0.5 else 0)\n", - "\n", - " current_early_folding = biophysical_features_target_protein['earlyFolding'][index]\n", - " biophysical_features_target_protein['EF_label'].append(1 if current_early_folding > 0.169 else 0)\n", - " \n", - "# biophysical_features_target_protein['psites'].append(1 if index + 1 in phosphorylated else 0)" - ] - }, - { - "cell_type": "markdown", - "id": "1dda3fd2", - "metadata": {}, - "source": [ - "### Get the dynamic properties in a pandas DataFrame object" - ] - }, - { - "cell_type": "code", - "execution_count": 70, - "id": "dfe85850", - "metadata": {}, - "outputs": [], - "source": [ - "dynamic_properties=pd.DataFrame(biophysical_features_target_protein)\n", - "dynamic_properties['seqpos']=range(1,len(dynamic_properties)+1)" - ] - }, - { - "cell_type": "markdown", - "id": "6df80d78", - "metadata": {}, - "source": [ - "### Map onto AF models and visualize\n", - "\n", - "For visualizing the 3D structure, we'll use py3Dmol library." - ] - }, - { - "cell_type": "code", - "execution_count": 71, - "id": "1e066d76", - "metadata": {}, - "outputs": [], - "source": [ - "import colorsys\n", - "\n", - "\n", - "def pseudocolor(minval, maxval,val):\n", - " \"\"\" Convert predicted values min.....max in range Green...Yellow..RED \n", - " The colors correspond to Red and Green in the HSV colorspace\n", - " \"\"\"\n", - " minval,maxval=float(minval),float(maxval)\n", - " h = (float(maxval-val) / (maxval-minval)) * 120\n", - " r, g, b = colorsys.hsv_to_rgb(h/360, 1., 1.)\n", - " rgb=map(lambda x: int(255 * x), (r, g, b))\n", - " rgb=tuple(rgb)\n", - " rgb='0x%02x%02x%02x' % rgb\n", - " return rgb" - ] - }, - { - "cell_type": "code", - "execution_count": 72, - "id": "53203ebf", - "metadata": {}, - "outputs": [], - "source": [ - "def remap(df):\n", - " BDcolor,EFcolor,DOcolor={},{},{}\n", - " seqpos=0\n", - " min_BD,max_BD=min(df.backbone),max(df.backbone)\n", - " min_DO,max_DO=min(df.disoMine),max(df.disoMine)\n", - " min_EF,max_EF=min(df.earlyFolding),max(df.earlyFolding)\n", - " \n", - " for index, row in df.iterrows():\n", - " seqpos+=1\n", - " BDrescol=pseudocolor(min_BD,max_BD,float(row.backbone))\n", - " DOrescol=pseudocolor(min_EF,max_EF,float(row.disoMine))\n", - " EFrescol=pseudocolor(min_EF,max_EF,float(row.earlyFolding))\n", - " BDcolor[seqpos]=BDrescol\n", - " DOcolor[seqpos]=DOrescol\n", - " EFcolor[seqpos]=EFrescol\n", - " \n", - " return BDcolor,EFcolor,DOcolor\n", - " \n", - " " - ] - }, - { - "cell_type": "code", - "execution_count": 81, - "id": "650fb2a9", - "metadata": {}, - "outputs": [], - "source": [ - "def display_3D(dynamic_properties):\n", - " BDcolor, EFcolor, DOcolor = remap(dynamic_properties)\n", - " modpos = modification_table.position.tolist()\n", - "\n", - " view = py3Dmol.view(viewergrid=(2,2))\n", - " view.addModel(open((accession + '.pdb'), 'r').read(), 'pdb')\n", - "\n", - " # IMPORTANT: setStyle(selection, style)\n", - " view.setStyle({}, {'cartoon': {'colorscheme': {'prop':'b','gradient':'rwb','min':0.0,'max':100.0}}}, viewer=(0,0))\n", - " view.setStyle({}, {'cartoon': {'colorscheme': {'prop':'resi','map':BDcolor}}}, viewer=(0,1))\n", - " view.setStyle({}, {'cartoon': {'colorscheme': {'prop':'resi','map':DOcolor}}}, viewer=(1,0))\n", - " view.setStyle({}, {'cartoon': {'colorscheme': {'prop':'resi','map':EFcolor}}}, viewer=(1,1))\n", - "\n", - " # Surface highlight + pickable overlay on mod residues\n", - " for mod in modpos:\n", - " m = str(mod)\n", - " sel = {'resi': m}\n", - "\n", - " view.addSurface(py3Dmol.VDW, {'opacity': 1.0}, sel, viewer=(0,0))\n", - " view.addSurface(py3Dmol.VDW, {'opacity': 1.0, 'color': BDcolor[mod]}, sel, viewer=(0,1))\n", - " view.addSurface(py3Dmol.VDW, {'opacity': 1.0, 'color': DOcolor[mod]}, sel, viewer=(1,0))\n", - " view.addSurface(py3Dmol.VDW, {'opacity': 1.0, 'color': EFcolor[mod]}, sel, viewer=(1,1))\n", - "\n", - " # MAKE IT PICKABLE: opacity must be > 0\n", - " for panel in [(0,0), (0,1), (1,0), (1,1)]:\n", - " view.addStyle(sel, {'sphere': {'radius': 0.8, 'opacity': 0.15}}, viewer=panel)\n", - " # optional: stick helps pickability even more\n", - " # view.addStyle(sel, {'stick': {'opacity': 0.15}}, viewer=panel)\n", - "\n", - " # Background + hover everywhere (per panel)\n", - " for panel in [(0,0), (0,1), (1,0), (1,1)]:\n", - " view.setBackgroundColor('white', viewer=panel)\n", - "\n", - " view.setHoverable(\n", - " {}, # hover everywhere\n", - " True,\n", - " \"\"\"\n", - " function(atom, viewer, event, container) {\n", - " if (!atom.label) {\n", - " atom.label = viewer.addLabel(\n", - " atom.resn + \" \" + atom.resi + (atom.chain ? (\" : \" + atom.chain) : \"\"),\n", - " {position: atom, backgroundColor: 'mintcream', fontColor:'black'}\n", - " );\n", - " }\n", - " }\n", - " \"\"\",\n", - " \"\"\"\n", - " function(atom, viewer) {\n", - " if (atom.label) {\n", - " viewer.removeLabel(atom.label);\n", - " delete atom.label;\n", - " }\n", - " }\n", - " \"\"\",\n", - " viewer=panel\n", - " )\n", - "\n", - " view.zoomTo()\n", - " view.render()\n", - " return view\n" - ] - }, - { - "cell_type": "markdown", - "id": "25fe3987-b6d1-4bb0-8aae-7c1e088d3e8e", - "metadata": {}, - "source": [ - "## Visualize the 3D structure" - ] - }, - { - "cell_type": "code", - "execution_count": 86, - "id": "12d487e0", - "metadata": {}, - "outputs": [], - "source": [ - "display_3D(dynamic_properties)" - ] - }, - { - "cell_type": "markdown", - "id": "15c9ab07-dc90-43b1-80f6-8747df1c2194", - "metadata": {}, - "source": [ - "### Let's convert the 3D protein structure into a Residue Interaction Network (2.5D map)\n", - "\n", - "Every amino acid is a node and an edge is drawn betweentwo amino acids if they are close (<=8 A ngstrom) in 3D space." - ] - }, - { - "cell_type": "code", - "execution_count": 68, - "id": "3886bc0c-1630-4bde-9b62-2125f3f81314", - "metadata": {}, - "outputs": [], - "source": [ - "import numpy as np\n", - "import networkx as nx\n", - "from scipy.spatial import KDTree\n", - "from Bio.PDB import PDBParser\n", - "\n", - "def build_geometry_graph_from_pdb(pdb_path, chain=\"A\", cutoff=8.0, atom_name=\"CA\"):\n", - " \"\"\"\n", - " Build a residue interaction network from a PDB file using CA (or CB fallback) distances.\n", - " Nodes: residue positions (ints)\n", - " Edges: if distance <= cutoff, with attributes distance, weight=1/distance, resistance=distance\n", - " \"\"\"\n", - " parser = PDBParser(QUIET=True)\n", - " structure = parser.get_structure(\"af\", pdb_path)\n", - "\n", - " # Use first model\n", - " model = next(structure.get_models())\n", - "\n", - " # Pick chain (AlphaFold is usually 'A')\n", - " if chain not in model:\n", - " # fallback: first chain in model\n", - " chain_obj = next(model.get_chains())\n", - " chain = chain_obj.id\n", - " else:\n", - " chain_obj = model[chain]\n", - "\n", - " coords = []\n", - " meta = []\n", - "\n", - " for res in chain_obj:\n", - " # standard residues only\n", - " if res.id[0] != \" \":\n", - " continue\n", - "\n", - " resi = int(res.id[1])\n", - " resn = res.resname\n", - "\n", - " # choose atom\n", - " atom = None\n", - " if atom_name in res:\n", - " atom = res[atom_name]\n", - " elif atom_name == \"CB\" and \"CA\" in res:\n", - " atom = res[\"CA\"]\n", - " elif atom_name == \"CA\":\n", - " # CA required; skip if missing\n", - " continue\n", - " else:\n", - " # fallback to CA if present\n", - " atom = res[\"CA\"] if \"CA\" in res else None\n", - "\n", - " if atom is None:\n", - " continue\n", - "\n", - " coords.append(atom.coord.astype(float))\n", - " meta.append({\"Chain\": chain, \"Residue\": resi, \"ResName\": resn})\n", - "\n", - " coords = np.asarray(coords, dtype=float)\n", - " if len(coords) == 0:\n", - " raise ValueError(\"No residue coordinates found. Check chain/atom_name.\")\n", - "\n", - " nodes = [(m[\"Chain\"], int(m[\"Residue\"])) for m in meta]\n", - " tree = KDTree(coords)\n", - "\n", - " G = nx.Graph(layer=f\"geometry:{atom_name}_cut{cutoff}\", chain=chain, pdb=pdb_path)\n", - "\n", - " for n, m in zip(nodes, meta):\n", - " G.add_node(n, **m)\n", - "\n", - " for i in range(len(nodes)):\n", - " idxs = tree.query_ball_point(coords[i], cutoff)\n", - " for j in idxs:\n", - " if j <= i:\n", - " continue\n", - " d = float(np.linalg.norm(coords[i] - coords[j]))\n", - " w = 1.0 / max(d, 1e-6)\n", - " G.add_edge(nodes[i], nodes[j], weight=w, distance=d, resistance=1.0 / max(w, 1e-9))\n", - "\n", - " return G, meta\n" - ] - }, - { - "cell_type": "code", - "execution_count": 96, - "id": "67836388-e788-45d1-8581-88491e542560", - "metadata": {}, - "outputs": [], - "source": [ - "from pyvis.network import Network\n", - "from IPython.display import IFrame, display\n", - "\n", - "def nx_rin_to_pyvis_default(\n", - " G,\n", - " ptm_positions=None,\n", - " mutation_positions=None,\n", - " out_html=\"rin_pyvis.html\",\n", - " height=\"600px\",\n", - " width=\"100%\",\n", - " default_color=\"#B0B0B0\", # light grey\n", - " ptm_color=\"#1f77b4\", # blue\n", - " mut_color=\"#d62728\", # red\n", - " both_color=\"#9467bd\", # purple\n", - " node_size=30,\n", - " ptm_size=35,\n", - " mut_size=35,\n", - " both_size=40,\n", - " select_menu=True,\n", - " filter_menu=True\n", - "):\n", - " ptm_set = set(int(x) for x in (ptm_positions or []))\n", - " mut_set = set(int(x) for x in (mutation_positions or []))\n", - "\n", - " net = Network(\n", - " height=height,\n", - " width=width,\n", - " directed=False,\n", - " notebook=True,\n", - " cdn_resources=\"in_line\",\n", - " select_menu=select_menu,\n", - " filter_menu=filter_menu\n", - " )\n", - "\n", - " net.set_options(\"\"\"\n", - " {\n", - " \"groups\": {\n", - " \"PTM\": {\n", - " \"color\": {\n", - " \"background\": \"#d62728\",\n", - " \"border\": \"#d62728\",\n", - " \"highlight\": { \"background\": \"#d62728\", \"border\": \"#d62728\" },\n", - " \"hover\": { \"background\": \"#d62728\", \"border\": \"#d62728\" }\n", - " }\n", - " },\n", - " \"Mutation\": {\n", - " \"color\": {\n", - " \"background\": \"#1f77b4\",\n", - " \"border\": \"#1f77b4\",\n", - " \"highlight\": { \"background\": \"#1f77b4\", \"border\": \"#1f77b4\" },\n", - " \"hover\": { \"background\": \"#1f77b4\", \"border\": \"#1f77b4\" }\n", - " }\n", - " },\n", - " \"PTM+Mutation\": {\n", - " \"color\": {\n", - " \"background\": \"#2ca02c\",\n", - " \"border\": \"#2ca02c\",\n", - " \"highlight\": { \"background\": \"#2ca02c\", \"border\": \"#2ca02c\" },\n", - " \"hover\": { \"background\": \"#2ca02c\", \"border\": \"#2ca02c\" }\n", - " }\n", - " },\n", - " \"Other\": {\n", - " \"color\": {\n", - " \"background\": \"#9FA8B0\",\n", - " \"border\": \"#9FA8B0\",\n", - " \"highlight\": { \"background\": \"#9FA8B0\", \"border\": \"#9FA8B0\" },\n", - " \"hover\": { \"background\": \"#9FA8B0\", \"border\": \"#9FA8B0\" }\n", - " }\n", - " }\n", - " }\n", - " }\n", - " \"\"\")\n", - "\n", - "\n", - "\n", - "\n", - " # ---- Nodes ----\n", - " for (ch, resi), attrs in G.nodes(data=True):\n", - " resi = int(resi)\n", - " resn = attrs.get(\"ResName\", \"\")\n", - "\n", - " is_ptm = resi in ptm_set\n", - " is_mut = resi in mut_set\n", - "\n", - " if is_ptm and is_mut:\n", - " bg = both_color\n", - " size = both_size\n", - " group = \"PTM+Mutation\"\n", - " elif is_mut:\n", - " bg = mut_color\n", - " size = mut_size\n", - " group = \"Mutation\"\n", - " elif is_ptm:\n", - " bg = ptm_color\n", - " size = ptm_size\n", - " group = \"PTM\"\n", - " else:\n", - " bg = default_color\n", - " size = node_size\n", - " group = \"Other\"\n", - "\n", - " node_id = f\"{ch}:{resi}\"\n", - "\n", - " net.add_node(\n", - " node_id,\n", - " label=f\"{resn} {resi}\" if resn else str(resi),\n", - " title=f\"Chain: {ch}
Residue: {resn}
Position: {resi}
Group: {group}\",\n", - " color={\n", - " \"background\": bg,\n", - " \"border\": \"#333333\",\n", - " \"highlight\": {\"background\": bg, \"border\": \"#000000\"},\n", - " \"hover\": {\"background\": bg, \"border\": \"#000000\"}\n", - " },\n", - " size=size,\n", - " group=group,\n", - " font={\"size\": 12}\n", - " )\n", - "\n", - " # ---- Edges ----\n", - " for (ch1, r1), (ch2, r2), eattrs in G.edges(data=True):\n", - " a = f\"{ch1}:{int(r1)}\"\n", - " b = f\"{ch2}:{int(r2)}\"\n", - " dist = eattrs.get(\"distance\", None)\n", - "\n", - " net.add_edge(\n", - " a, b,\n", - " color=\"#A9A9A9\",\n", - " title=f\"distance: {dist:.2f} Å\" if dist is not None else \"\"\n", - " )\n", - "\n", - " html = net.generate_html()\n", - " with open(out_html, \"w\", encoding=\"utf-8\") as f:\n", - " f.write(html)\n", - "\n", - " display(IFrame(out_html, width=900, height=650))\n", - " return out_html\n" - ] - }, - { - "cell_type": "code", - "execution_count": 97, - "id": "720ee7a5-4877-4db5-a5c9-8cbe24adebf6", - "metadata": {}, - "outputs": [], - "source": [ - "# Build RIN from AF model\n", - "G, meta = build_geometry_graph_from_pdb(f\"{accession}.pdb\", chain=\"A\", cutoff=8.0, atom_name=\"CA\")" - ] - }, - { - "cell_type": "code", - "execution_count": 102, - "id": "f7634728-4103-4415-a9de-1223741bca8c", - "metadata": {}, - "outputs": [], - "source": [ - "print(\"Directed:\", G.is_directed())\n", - "print(\"Nodes:\", G.number_of_nodes())\n", - "print(\"Edges:\", G.number_of_edges())" - ] - }, - { - "cell_type": "markdown", - "id": "ccac0b3d-f6cb-4685-a498-0aa1101f27b4", - "metadata": {}, - "source": [ - "### Visualize the RIN (Residue intercation Network) \n", - "\n", - "1. Phospho sites are colored red\n", - "2. Mutations are colored blue\n", - "3. Mutations + Phosphorylation colored Green" - ] - }, - { - "cell_type": "code", - "execution_count": 100, - "id": "cc07fff1-c427-4bac-b4c2-2e04410e1e20", - "metadata": {}, - "outputs": [], - "source": [ - "ptm_positions = list(set(modification_table[\"position\"].dropna().astype(int).tolist()))\n", - "\n", - "# Example mutation table with column 'position'\n", - "mutation_positions = list(set(mut_table[\"position\"].dropna().astype(int).tolist()))\n", - "\n", - "nx_rin_to_pyvis_default(\n", - " G,\n", - " ptm_positions=ptm_positions,\n", - " mutation_positions=mutation_positions,\n", - " out_html=\"rin_pyvis.html\",\n", - " select_menu=True,\n", - " filter_menu=False\n", - ")\n" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "ee3f0d87-6637-4925-b3d3-d58a3db62872", - "metadata": {}, - "outputs": [], - "source": [] - }, - { - "cell_type": "markdown", - "id": "832da52f-d1a8-470d-b501-fc2d3fcf44d9", - "metadata": {}, - "source": [ - "### Let's align two protein structures using TM-align" - ] - }, - { - "cell_type": "markdown", - "id": "6ee16fbb-febd-477f-8fa8-bb92806e8fde", - "metadata": {}, - "source": [ - "### Requires TM-align to align structures and NGLview for visulizing the aligned structures\n", - "1. TM-align\n", - "2. NGL viewer (better than py3Dmol for aligned structures)" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "4f63abdb-7e56-4953-9a29-de30ab8de482", - "metadata": {}, - "outputs": [], - "source": [ - "#!pip install -U nglview ipywidgets\n", - "##check if installed\n", - "# import nglview as nv\n", - "# nv.demo()\n", - "\n" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "1bcea5d7-8a24-4a64-a9ae-4be61c963c30", - "metadata": {}, - "outputs": [], - "source": [ - "## TM align installation (Terminal)\n", - "# git clone https://github.com/kad-ecoli/TMalign.git\n", - "# cd TMalign\n", - "# g++ -O3 -ffast-math -lm TMalign.cpp -o TM-align\n", - "# sudo mv TM-align /usr/local/bin/\n", - "# TM-align\n", - "\n", - "##conda installation\n", - "# conda install -c bioconda tmalign\n", - "# TM-align\n", - "\n", - "## precompiled binary\n", - "# wget https://zhanggroup.org/TM-align/TMalign\n", - "# chmod +x TMalign\n", - "# sudo mv TMalign /usr/local/bin/TM-align\n" - ] - }, - { - "cell_type": "code", - "execution_count": 105, - "id": "172f1ebc-a43c-4468-971f-3660f6a32e98", - "metadata": {}, - "outputs": [], - "source": [ - "import os\n", - "import subprocess\n", - "import tempfile\n", - "from Bio.PDB import PDBParser, PDBIO, Select\n", - "import nglview as nv\n", - "import ipywidgets as widgets\n", - "from IPython.display import display, clear_output\n", - "\n", - "def save_upload(upload_widget, out_dir):\n", - " os.makedirs(out_dir, exist_ok=True)\n", - " v = upload_widget.value\n", - " if not v:\n", - " raise ValueError(\"No file uploaded\")\n", - "\n", - " # Newer ipywidgets: tuple/list of dicts\n", - " if isinstance(v, (tuple, list)):\n", - " fileinfo = v[0]\n", - " name = fileinfo.get(\"name\", \"upload.pdb\")\n", - " content = fileinfo[\"content\"]\n", - "\n", - " # Older ipywidgets: dict name -> fileinfo\n", - " elif isinstance(v, dict):\n", - " name, fileinfo = next(iter(v.items()))\n", - " content = fileinfo[\"content\"]\n", - "\n", - " else:\n", - " raise TypeError(f\"Unexpected upload_widget.value type: {type(v)}\")\n", - "\n", - " path = os.path.join(out_dir, name)\n", - " with open(path, \"wb\") as f:\n", - " f.write(content)\n", - " return path\n", - "\n", - "\n", - "\n", - "def chain_range_from_pdb(pdb_path, chain_id):\n", - " parser = PDBParser(QUIET=True)\n", - " structure = parser.get_structure(\"X\", pdb_path)\n", - " residues = [\n", - " res.id[1]\n", - " for model in structure\n", - " for chain in model\n", - " if chain.id == chain_id\n", - " for res in chain\n", - " if res.id[0] == \" \"\n", - " ]\n", - " if not residues:\n", - " raise ValueError(f\"No residues found for chain {chain_id}\")\n", - " return min(residues), max(residues)\n", - "\n", - "\n", - "class ChainRangeSelect(Select):\n", - " def __init__(self, chain_id, start, end):\n", - " self.chain_id = chain_id\n", - " self.start = start\n", - " self.end = end\n", - "\n", - " def accept_chain(self, chain):\n", - " return chain.id == self.chain_id\n", - "\n", - " def accept_residue(self, residue):\n", - " r = residue.id[1]\n", - " return (self.start <= r <= self.end)\n", - "\n", - "def run_tmalign_write(pdb1, pdb2, out_dir, out_name):\n", - " os.makedirs(out_dir, exist_ok=True)\n", - " cmd = [\"TM-align\", os.path.abspath(pdb1), os.path.abspath(pdb2), \"-o\", out_name]\n", - " res = subprocess.run(cmd, cwd=out_dir, capture_output=True, text=True, check=True)\n", - "\n", - " candidates = [\n", - " os.path.join(out_dir, out_name),\n", - " os.path.join(out_dir, out_name + \".pdb\"),\n", - " os.path.join(out_dir, \"TM_sup.pdb\"),\n", - " ]\n", - " out_pdb = next((c for c in candidates if os.path.exists(c)), None)\n", - " if out_pdb is None:\n", - " raise RuntimeError(f\"No TM-align output found. Files: {os.listdir(out_dir)}\")\n", - " return out_pdb, res.stdout\n", - "\n", - "import nglview as nv\n", - "\n", - "def visualize_ngl(pdb_ref, pdb_aligned, selection=\"protein\"):\n", - " view = nv.NGLWidget()\n", - "\n", - " # CRITICAL: disable default rainbow reps\n", - " view.add_component(pdb_ref, ext=\"pdb\", defaultRepresentation=False)\n", - " view.add_component(pdb_aligned, ext=\"pdb\", defaultRepresentation=False)\n", - "\n", - " view.clear_representations()\n", - "\n", - " # Reference (blue, translucent)\n", - " view.add_cartoon(\n", - " component=0,\n", - " selection=selection,\n", - " colorScheme=\"uniform\",\n", - " colorValue=\"blue\",\n", - " opacity=0.7\n", - " )\n", - "\n", - " # Aligned (red, solid)\n", - " view.add_cartoon(\n", - " component=1,\n", - " selection=selection,\n", - " colorScheme=\"uniform\",\n", - " colorValue=\"red\",\n", - " opacity=1.0\n", - " )\n", - "\n", - " view.center()\n", - " return view\n" - ] - }, - { - "cell_type": "code", - "execution_count": 106, - "id": "04c25a76-8689-41ec-82ce-a1236ca5c5d5", - "metadata": {}, - "outputs": [], - "source": [ - "upload1 = widgets.FileUpload(accept=\".pdb\", multiple=False, description=\"Upload PDB 1\")\n", - "upload2 = widgets.FileUpload(accept=\".pdb\", multiple=False, description=\"Upload PDB 2\")\n", - "\n", - "chain1 = widgets.Text(value=\"A\", description=\"Chain 1\")\n", - "chain2 = widgets.Text(value=\"A\", description=\"Chain 2\")\n", - "\n", - "start1 = widgets.IntText(description=\"Start 1\")\n", - "end1 = widgets.IntText(description=\"End 1\")\n", - "start2 = widgets.IntText(description=\"Start 2\")\n", - "end2 = widgets.IntText(description=\"End 2\")\n", - "\n", - "btn_range = widgets.Button(description=\"Auto-fill ranges\")\n", - "btn_run = widgets.Button(description=\"Align + Visualize\", button_style=\"primary\")\n", - "\n", - "out = widgets.Output()\n", - "workdir = \"./tmalign_upload_tool\"\n" - ] - }, - { - "cell_type": "code", - "execution_count": 107, - "id": "98944d2d-f9b6-4536-82f3-fd46a97f7b62", - "metadata": {}, - "outputs": [], - "source": [ - "def autofill_ranges(_):\n", - " out.clear_output()\n", - " with out:\n", - " try:\n", - " pdb1 = save_upload(upload1, workdir)\n", - " pdb2 = save_upload(upload2, workdir)\n", - "\n", - " s1, e1 = chain_range_from_pdb(pdb1, chain1.value)\n", - " s2, e2 = chain_range_from_pdb(pdb2, chain2.value)\n", - "\n", - " start1.value, end1.value = s1, e1\n", - " start2.value, end2.value = s2, e2\n", - "\n", - " print(\"Ranges auto-filled.\")\n", - " except Exception as e:\n", - " print(\"ERROR:\", e)\n", - "\n", - "btn_range.on_click(autofill_ranges)\n" - ] - }, - { - "cell_type": "code", - "execution_count": 108, - "id": "7d1a40c2-d88c-4761-b644-e25bc04a21fe", - "metadata": {}, - "outputs": [], - "source": [ - "def run_align(_):\n", - " out.clear_output()\n", - " with out:\n", - " try:\n", - " pdb1 = save_upload(upload1, workdir)\n", - " pdb2 = save_upload(upload2, workdir)\n", - "\n", - " seg1 = os.path.join(workdir, \"seg1.pdb\")\n", - " seg2 = os.path.join(workdir, \"seg2.pdb\")\n", - "\n", - " parser = PDBParser(QUIET=True)\n", - " io = PDBIO()\n", - "\n", - " io.set_structure(parser.get_structure(\"X\", pdb1))\n", - " io.save(seg1, select=ChainRangeSelect(chain1.value, start1.value, end1.value))\n", - "\n", - " io.set_structure(parser.get_structure(\"Y\", pdb2))\n", - " io.save(seg2, select=ChainRangeSelect(chain2.value, start2.value, end2.value))\n", - "\n", - " aligned_pdb, stdout = run_tmalign_write(\n", - " seg1, seg2, out_dir=workdir, out_name=\"aligned\"\n", - " )\n", - "\n", - " print(stdout.splitlines()[0])\n", - " display(visualize_ngl(seg2, aligned_pdb))\n", - "\n", - "\n", - " except Exception as e:\n", - " print(\"ERROR:\", e)\n", - "\n", - "btn_run.on_click(run_align)\n" - ] - }, - { - "cell_type": "markdown", - "id": "031093b5-578a-4a58-950f-490308103cab", - "metadata": {}, - "source": [ - "## Download Structures in .pdb format from RCSB.org or predicted structures in .pdb format\n", - "1. Upload your structures one by one\n", - "2. Specify chains A or B etc..\n", - "3. Auto-fill ranges to fill start and end range of structures\n", - "4. if you want to align specific domains then fill in those ranges or leave it as it is!\n", - "5. Align+visualize" - ] - }, - { - "cell_type": "code", - "execution_count": 110, - "id": "718234f0-1c8f-4cd7-ac52-5149dc6610cf", - "metadata": {}, - "outputs": [], - "source": [ - "display(\n", - " widgets.VBox([\n", - " widgets.HBox([upload1, upload2]),\n", - " widgets.HBox([chain1, start1, end1]),\n", - " widgets.HBox([chain2, start2, end2]),\n", - " widgets.HBox([btn_range, btn_run]),\n", - " out,\n", - " ])\n", - ")\n" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "dc27a26e-3a91-4bef-9f08-1c77ca7289ae", - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.10.12" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/Scop3P_b2b_mutation_effect.ipynb b/Scop3P_b2b_mutation_effect.ipynb deleted file mode 100644 index 9551fb9..0000000 --- a/Scop3P_b2b_mutation_effect.ipynb +++ /dev/null @@ -1,1174 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "3a5dd7d4-467d-4aba-9355-04b482638ea7", - "metadata": {}, - "source": [ - "# Scop3P\n", - "\n", - "A comprehensive database of human phosphosites within their full context. Scop3P integrates sequences (UniProtKB/Swiss-Prot), structures (PDB), and uniformly reprocessed phosphoproteomics data (PRIDE) to annotate all known human phosphosites. \n", - "\n", - "Scop3P, available at https://iomics.ugent.be/scop3p, presents a unique resource for visualization and analysis of phosphosites and for understanding of phosphosite structure–function relationships.\n", - "\n", - "Please cite: https://doi.org/10.1021/acs.jproteome.0c00306" - ] - }, - { - "cell_type": "markdown", - "id": "2bb1e9ff-c789-4c96-b71d-5da2af53b437", - "metadata": {}, - "source": [ - "## Install Dependencies" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "ba367321-b7ac-44b9-98c0-c800fd1ae008", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "!pip install bokeh pandas matplotlib b2btools==3.0.7b2" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "62a30299-1084-4700-a8ed-64f77b68c0c5", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "import tempfile\n", - "import requests\n", - "import pandas as pd \n", - "import py3Dmol\n", - "from b2bTools import SingleSeq, constants\n", - "from bokeh.io import output_notebook\n", - "from bokeh.plotting import figure, show\n", - "from bokeh.models import HoverTool" - ] - }, - { - "cell_type": "markdown", - "id": "c2dc9e1f-97d2-45a8-a21a-b7258664d265", - "metadata": {}, - "source": [ - "## Target protein" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "bd5e0bc6-c9ee-485f-9a7c-3adc53f7cd66", - "metadata": {}, - "outputs": [], - "source": [ - "TARGET_PROTEIN_ID = \"P07949\" # Write here the Protein ID of your protein of interest\n", - "PDB_ID = \"2IVS\" # Write here the PDB ID of your protein of interest" - ] - }, - { - "cell_type": "markdown", - "id": "2e622d9b-1922-4851-ab6b-41ae0d62c395", - "metadata": {}, - "source": [ - "## API Request\n", - "\n", - "This function makes a GET request to SCOP3P API endpoint for a given protein accession ID and returns the protein sequence in string format." - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "87d604d4-ba1a-4acb-94b7-0481abe40fac", - "metadata": {}, - "outputs": [], - "source": [ - "def fetch_sequence_aminoacids(accession):\n", - " BASE_URL = f\"http://uniprot.org/uniprotkb/{accession}.fasta\"\n", - " url = f'{BASE_URL}?accession={accession}'\n", - " response = requests.get(url)\n", - " if response.status_code == 200:\n", - " raw_fasta_sequence = response.content.decode(\"utf-8\")\n", - " else:\n", - " raw_fasta_sequence = \"\"\n", - " \n", - " lines = raw_fasta_sequence.split('\\n')\n", - " protein_id = str(lines[0])\n", - " amino_acids = \"\".join([str(l) for l in lines[1:]])\n", - " \n", - " return protein_id, amino_acids\n", - "\n", - "def fetch_protein_modifications(accession):\n", - " \"\"\"\n", - " Fetches protein modifications for a given UniProt ID.\n", - "\n", - " Parameters:\n", - " accession (str): UniProt ID of the protein.\n", - "\n", - " Returns:\n", - " dict: A dictionary containing protein modifications.\n", - " \"\"\"\n", - " BASE_URL = \"https://iomics.ugent.be/scop3p/api/modifications\"\n", - " url = f'{BASE_URL}?accession={accession}'\n", - " headers = {'accept': 'application/json'}\n", - " response = requests.get(url, headers=headers)\n", - " if response.status_code == 200:\n", - " return response.json()\n", - " else:\n", - " return None\n" - ] - }, - { - "cell_type": "markdown", - "id": "c09ac2da-0a01-4b83-97ba-96c9fa9fb598", - "metadata": {}, - "source": [ - "## Data parsing\n", - "\n", - "For parsing the JSON as a table, we'll use pandas library." - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "fdd2c83a-bbdf-4ccd-993f-92078980fd9a", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - "--------------------------------------------------------------------------------\n", - "Scop3P: A Comprehensive Resource of Human Phosphosites within Their Full Context\n", - "--------------------------------------------------------------------------------\n", - "\n", - "RET_HUMAN:Proto-oncogene tyrosine-protein kinase receptor Ret (EC 2.7.10.1) (Cadherin family member 12) (Proto-oncogene c-Ret) [Cleaved into: Soluble RET kinase fragment; Extracellular cell-membrane anchored RET cadherin 120 kDa fragment]\n", - "\n", - "Phospho-sites found: 9 entries.\n", - "\n", - "Full entry available on SCOP3P website: https://iomics.ugent.be/scop3p/index?protein=P07949\n", - "\n" - ] - } - ], - "source": [ - "scop3P_results = fetch_protein_modifications(TARGET_PROTEIN_ID)\n", - "_protein_id, sequence = fetch_sequence_aminoacids(TARGET_PROTEIN_ID)\n", - "\n", - "protein_name = scop3P_results['proteinName']\n", - "entry_name = scop3P_results['entryName']\n", - "accession = scop3P_results['accession']\n", - "url = scop3P_results['url']\n", - "modifications = scop3P_results['modifications']\n", - "\n", - "print(\"\"\"\n", - "--------------------------------------------------------------------------------\n", - "Scop3P: A Comprehensive Resource of Human Phosphosites within Their Full Context\n", - "--------------------------------------------------------------------------------\n", - "\n", - "{0}:{1}\n", - "\n", - "Phospho-sites found: {3} entries.\n", - "\n", - "Full entry available on SCOP3P website: {2}\n", - "\"\"\".format(entry_name, protein_name, url, len(modifications)))" - ] - }, - { - "cell_type": "code", - "execution_count": 22, - "id": "51c73c52-5955-45d9-9d9d-fa3fe6069bfb", - "metadata": {}, - "outputs": [], - "source": [ - "def get_modifications_table(modifications):\n", - " \"\"\"\n", - " Displays the protein modifications in a pandas DataFrame.\n", - "\n", - " Parameters:\n", - " modifications (list): A list of dictionaries, each representing a protein modification.\n", - " \"\"\"\n", - " df = pd.DataFrame(modifications)\n", - " df = df[['residue', 'name', 'evidence', 'position', 'source', 'reference', 'functionalScore', 'specificSinglyPhosphorylated']]\n", - " \n", - " return df \n", - " \n", - "modifications_table = get_modifications_table(modifications)\n", - "display(modifications_table)" - ] - }, - { - "cell_type": "markdown", - "id": "ac2ba7e8-8398-4840-89ba-5b58243710e1", - "metadata": {}, - "source": [ - "## Predict biophysical features" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "6db8fd71-3716-45fe-a1fd-bbed40f7d8fa", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "def predict_biophysical_features(accession, sequence):\n", - " with tempfile.NamedTemporaryFile(prefix=\"seq_\", suffix=\".fasta\", mode=\"w\") as fp:\n", - " fp.write(f\">{accession}\\n{sequence}\\n\")\n", - " fp.flush()\n", - " fp.seek(0)\n", - " \n", - " pred = SingleSeq(fp.name).predict(tools=[constants.TOOL_DYNAMINE, constants.TOOL_DISOMINE, constants.TOOL_EFOLDMINE]).get_all_predictions()\n", - " \n", - " return pred\n", - "\n", - "biophysical_features = predict_biophysical_features(TARGET_PROTEIN_ID, sequence)\n", - "\n", - "biophysical_features_target_protein = biophysical_features['proteins'][TARGET_PROTEIN_ID]" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "04ef2539-f2f4-462c-81a3-3214f2ec1468", - "metadata": {}, - "outputs": [], - "source": [ - "phosphorylated = list(modifications_table['position'])\n", - "biophysical_features_target_protein['BD_label'] = []\n", - "biophysical_features_target_protein['DO_label'] = []\n", - "biophysical_features_target_protein['EF_label'] = []\n", - "biophysical_features_target_protein['psites'] = []\n", - "\n", - "for index, residue in enumerate(biophysical_features_target_protein['seq']):\n", - " current_backbone = biophysical_features_target_protein['backbone'][index]\n", - " biophysical_features_target_protein['BD_label'].append(1 if current_backbone > 1 else 2 if current_backbone > 0.8 else 3 if current_backbone > 0.69 else 4)\n", - "\n", - " current_disorder_propensity = biophysical_features_target_protein['disoMine'][index]\n", - " biophysical_features_target_protein['DO_label'].append(1 if current_disorder_propensity > 0.5 else 0)\n", - "\n", - " current_early_folding = biophysical_features_target_protein['earlyFolding'][index]\n", - " biophysical_features_target_protein['EF_label'].append(1 if current_early_folding > 0.169 else 0)\n", - " \n", - " biophysical_features_target_protein['psites'].append(1 if index + 1 in phosphorylated else 0)\n", - " " - ] - }, - { - "cell_type": "markdown", - "id": "33730cd5", - "metadata": {}, - "source": [ - "### Get the dynamic properties in a pandas DataFrame object" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "30b1451f", - "metadata": {}, - "outputs": [], - "source": [ - "dynamic_properties=pd.DataFrame(biophysical_features_target_protein)\n", - "dynamic_properties['seqpos']=range(1,len(dynamic_properties)+1)" - ] - }, - { - "cell_type": "markdown", - "id": "6fdfb089", - "metadata": {}, - "source": [ - "## Plotting results\n", - "\n", - "For visualization of dynamic properties we will use Bokeh interactive visualization package" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "4b2ea610", - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
\n", - " \n", - " Loading BokehJS ...\n", - "
\n" - ] - }, - "metadata": {}, - "output_type": "display_data" - }, - { - "data": { - "application/javascript": [ - "(function(root) {\n", - " function now() {\n", - " return new Date();\n", - " }\n", - "\n", - " const force = true;\n", - "\n", - " if (typeof root._bokeh_onload_callbacks === \"undefined\" || force === true) {\n", - " root._bokeh_onload_callbacks = [];\n", - " root._bokeh_is_loading = undefined;\n", - " }\n", - "\n", - "const JS_MIME_TYPE = 'application/javascript';\n", - " const HTML_MIME_TYPE = 'text/html';\n", - " const EXEC_MIME_TYPE = 'application/vnd.bokehjs_exec.v0+json';\n", - " const CLASS_NAME = 'output_bokeh rendered_html';\n", - "\n", - " /**\n", - " * Render data to the DOM node\n", - " */\n", - " function render(props, node) {\n", - " const script = document.createElement(\"script\");\n", - " node.appendChild(script);\n", - " }\n", - "\n", - " /**\n", - " * Handle when an output is cleared or removed\n", - " */\n", - " function handleClearOutput(event, handle) {\n", - " const cell = handle.cell;\n", - "\n", - " const id = cell.output_area._bokeh_element_id;\n", - " const server_id = cell.output_area._bokeh_server_id;\n", - " // Clean up Bokeh references\n", - " if (id != null && id in Bokeh.index) {\n", - " Bokeh.index[id].model.document.clear();\n", - " delete Bokeh.index[id];\n", - " }\n", - "\n", - " if (server_id !== undefined) {\n", - " // Clean up Bokeh references\n", - " const cmd_clean = \"from bokeh.io.state import curstate; print(curstate().uuid_to_server['\" + server_id + \"'].get_sessions()[0].document.roots[0]._id)\";\n", - " cell.notebook.kernel.execute(cmd_clean, {\n", - " iopub: {\n", - " output: function(msg) {\n", - " const id = msg.content.text.trim();\n", - " if (id in Bokeh.index) {\n", - " Bokeh.index[id].model.document.clear();\n", - " delete Bokeh.index[id];\n", - " }\n", - " }\n", - " }\n", - " });\n", - " // Destroy server and session\n", - " const cmd_destroy = \"import bokeh.io.notebook as ion; ion.destroy_server('\" + server_id + \"')\";\n", - " cell.notebook.kernel.execute(cmd_destroy);\n", - " }\n", - " }\n", - "\n", - " /**\n", - " * Handle when a new output is added\n", - " */\n", - " function handleAddOutput(event, handle) {\n", - " const output_area = handle.output_area;\n", - " const output = handle.output;\n", - "\n", - " // limit handleAddOutput to display_data with EXEC_MIME_TYPE content only\n", - " if ((output.output_type != \"display_data\") || (!Object.prototype.hasOwnProperty.call(output.data, EXEC_MIME_TYPE))) {\n", - " return\n", - " }\n", - "\n", - " const toinsert = output_area.element.find(\".\" + CLASS_NAME.split(' ')[0]);\n", - "\n", - " if (output.metadata[EXEC_MIME_TYPE][\"id\"] !== undefined) {\n", - " toinsert[toinsert.length - 1].firstChild.textContent = output.data[JS_MIME_TYPE];\n", - " // store reference to embed id on output_area\n", - " output_area._bokeh_element_id = output.metadata[EXEC_MIME_TYPE][\"id\"];\n", - " }\n", - " if (output.metadata[EXEC_MIME_TYPE][\"server_id\"] !== undefined) {\n", - " const bk_div = document.createElement(\"div\");\n", - " bk_div.innerHTML = output.data[HTML_MIME_TYPE];\n", - " const script_attrs = bk_div.children[0].attributes;\n", - " for (let i = 0; i < script_attrs.length; i++) {\n", - " toinsert[toinsert.length - 1].firstChild.setAttribute(script_attrs[i].name, script_attrs[i].value);\n", - " toinsert[toinsert.length - 1].firstChild.textContent = bk_div.children[0].textContent\n", - " }\n", - " // store reference to server id on output_area\n", - " output_area._bokeh_server_id = output.metadata[EXEC_MIME_TYPE][\"server_id\"];\n", - " }\n", - " }\n", - "\n", - " function register_renderer(events, OutputArea) {\n", - "\n", - " function append_mime(data, metadata, element) {\n", - " // create a DOM node to render to\n", - " const toinsert = this.create_output_subarea(\n", - " metadata,\n", - " CLASS_NAME,\n", - " EXEC_MIME_TYPE\n", - " );\n", - " this.keyboard_manager.register_events(toinsert);\n", - " // Render to node\n", - " const props = {data: data, metadata: metadata[EXEC_MIME_TYPE]};\n", - " render(props, toinsert[toinsert.length - 1]);\n", - " element.append(toinsert);\n", - " return toinsert\n", - " }\n", - "\n", - " /* Handle when an output is cleared or removed */\n", - " events.on('clear_output.CodeCell', handleClearOutput);\n", - " events.on('delete.Cell', handleClearOutput);\n", - "\n", - " /* Handle when a new output is added */\n", - " events.on('output_added.OutputArea', handleAddOutput);\n", - "\n", - " /**\n", - " * Register the mime type and append_mime function with output_area\n", - " */\n", - " OutputArea.prototype.register_mime_type(EXEC_MIME_TYPE, append_mime, {\n", - " /* Is output safe? */\n", - " safe: true,\n", - " /* Index of renderer in `output_area.display_order` */\n", - " index: 0\n", - " });\n", - " }\n", - "\n", - " // register the mime type if in Jupyter Notebook environment and previously unregistered\n", - " if (root.Jupyter !== undefined) {\n", - " const events = require('base/js/events');\n", - " const OutputArea = require('notebook/js/outputarea').OutputArea;\n", - "\n", - " if (OutputArea.prototype.mime_types().indexOf(EXEC_MIME_TYPE) == -1) {\n", - " register_renderer(events, OutputArea);\n", - " }\n", - " }\n", - " if (typeof (root._bokeh_timeout) === \"undefined\" || force === true) {\n", - " root._bokeh_timeout = Date.now() + 5000;\n", - " root._bokeh_failed_load = false;\n", - " }\n", - "\n", - " const NB_LOAD_WARNING = {'data': {'text/html':\n", - " \"
\\n\"+\n", - " \"

\\n\"+\n", - " \"BokehJS does not appear to have successfully loaded. If loading BokehJS from CDN, this \\n\"+\n", - " \"may be due to a slow or bad network connection. Possible fixes:\\n\"+\n", - " \"

\\n\"+\n", - " \"\\n\"+\n", - " \"\\n\"+\n", - " \"from bokeh.resources import INLINE\\n\"+\n", - " \"output_notebook(resources=INLINE)\\n\"+\n", - " \"\\n\"+\n", - " \"
\"}};\n", - "\n", - " function display_loaded() {\n", - " const el = document.getElementById(\"1002\");\n", - " if (el != null) {\n", - " el.textContent = \"BokehJS is loading...\";\n", - " }\n", - " if (root.Bokeh !== undefined) {\n", - " if (el != null) {\n", - " el.textContent = \"BokehJS \" + root.Bokeh.version + \" successfully loaded.\";\n", - " }\n", - " } else if (Date.now() < root._bokeh_timeout) {\n", - " setTimeout(display_loaded, 100)\n", - " }\n", - " }\n", - "\n", - " function run_callbacks() {\n", - " try {\n", - " root._bokeh_onload_callbacks.forEach(function(callback) {\n", - " if (callback != null)\n", - " callback();\n", - " });\n", - " } finally {\n", - " delete root._bokeh_onload_callbacks\n", - " }\n", - " console.debug(\"Bokeh: all callbacks have finished\");\n", - " }\n", - "\n", - " function load_libs(css_urls, js_urls, callback) {\n", - " if (css_urls == null) css_urls = [];\n", - " if (js_urls == null) js_urls = [];\n", - "\n", - " root._bokeh_onload_callbacks.push(callback);\n", - " if (root._bokeh_is_loading > 0) {\n", - " console.debug(\"Bokeh: BokehJS is being loaded, scheduling callback at\", now());\n", - " return null;\n", - " }\n", - " if (js_urls == null || js_urls.length === 0) {\n", - " run_callbacks();\n", - " return null;\n", - " }\n", - " console.debug(\"Bokeh: BokehJS not loaded, scheduling load and callback at\", now());\n", - " root._bokeh_is_loading = css_urls.length + js_urls.length;\n", - "\n", - " function on_load() {\n", - " root._bokeh_is_loading--;\n", - " if (root._bokeh_is_loading === 0) {\n", - " console.debug(\"Bokeh: all BokehJS libraries/stylesheets loaded\");\n", - " run_callbacks()\n", - " }\n", - " }\n", - "\n", - " function on_error(url) {\n", - " console.error(\"failed to load \" + url);\n", - " }\n", - "\n", - " for (let i = 0; i < css_urls.length; i++) {\n", - " const url = css_urls[i];\n", - " const element = document.createElement(\"link\");\n", - " element.onload = on_load;\n", - " element.onerror = on_error.bind(null, url);\n", - " element.rel = \"stylesheet\";\n", - " element.type = \"text/css\";\n", - " element.href = url;\n", - " console.debug(\"Bokeh: injecting link tag for BokehJS stylesheet: \", url);\n", - " document.body.appendChild(element);\n", - " }\n", - "\n", - " for (let i = 0; i < js_urls.length; i++) {\n", - " const url = js_urls[i];\n", - " const element = document.createElement('script');\n", - " element.onload = on_load;\n", - " element.onerror = on_error.bind(null, url);\n", - " element.async = false;\n", - " element.src = url;\n", - " console.debug(\"Bokeh: injecting script tag for BokehJS library: \", url);\n", - " document.head.appendChild(element);\n", - " }\n", - " };\n", - "\n", - " function inject_raw_css(css) {\n", - " const element = document.createElement(\"style\");\n", - " element.appendChild(document.createTextNode(css));\n", - " document.body.appendChild(element);\n", - " }\n", - "\n", - " const js_urls = [\"https://cdn.bokeh.org/bokeh/release/bokeh-2.4.3.min.js\", \"https://cdn.bokeh.org/bokeh/release/bokeh-gl-2.4.3.min.js\", \"https://cdn.bokeh.org/bokeh/release/bokeh-widgets-2.4.3.min.js\", \"https://cdn.bokeh.org/bokeh/release/bokeh-tables-2.4.3.min.js\", \"https://cdn.bokeh.org/bokeh/release/bokeh-mathjax-2.4.3.min.js\"];\n", - " const css_urls = [];\n", - "\n", - " const inline_js = [ function(Bokeh) {\n", - " Bokeh.set_log_level(\"info\");\n", - " },\n", - "function(Bokeh) {\n", - " }\n", - " ];\n", - "\n", - " function run_inline_js() {\n", - " if (root.Bokeh !== undefined || force === true) {\n", - " for (let i = 0; i < inline_js.length; i++) {\n", - " inline_js[i].call(root, root.Bokeh);\n", - " }\n", - "if (force === true) {\n", - " display_loaded();\n", - " }} else if (Date.now() < root._bokeh_timeout) {\n", - " setTimeout(run_inline_js, 100);\n", - " } else if (!root._bokeh_failed_load) {\n", - " console.log(\"Bokeh: BokehJS failed to load within specified timeout.\");\n", - " root._bokeh_failed_load = true;\n", - " } else if (force !== true) {\n", - " const cell = $(document.getElementById(\"1002\")).parents('.cell').data().cell;\n", - " cell.output_area.append_execute_result(NB_LOAD_WARNING)\n", - " }\n", - " }\n", - "\n", - " if (root._bokeh_is_loading === 0) {\n", - " console.debug(\"Bokeh: BokehJS loaded, going straight to plotting\");\n", - " run_inline_js();\n", - " } else {\n", - " load_libs(css_urls, js_urls, function() {\n", - " console.debug(\"Bokeh: BokehJS plotting callback run at\", now());\n", - " run_inline_js();\n", - " });\n", - " }\n", - "}(window));" - ], - "application/vnd.bokehjs_load.v0+json": "(function(root) {\n function now() {\n return new Date();\n }\n\n const force = true;\n\n if (typeof root._bokeh_onload_callbacks === \"undefined\" || force === true) {\n root._bokeh_onload_callbacks = [];\n root._bokeh_is_loading = undefined;\n }\n\n\n if (typeof (root._bokeh_timeout) === \"undefined\" || force === true) {\n root._bokeh_timeout = Date.now() + 5000;\n root._bokeh_failed_load = false;\n }\n\n const NB_LOAD_WARNING = {'data': {'text/html':\n \"
\\n\"+\n \"

\\n\"+\n \"BokehJS does not appear to have successfully loaded. If loading BokehJS from CDN, this \\n\"+\n \"may be due to a slow or bad network connection. Possible fixes:\\n\"+\n \"

\\n\"+\n \"\\n\"+\n \"\\n\"+\n \"from bokeh.resources import INLINE\\n\"+\n \"output_notebook(resources=INLINE)\\n\"+\n \"\\n\"+\n \"
\"}};\n\n function display_loaded() {\n const el = document.getElementById(\"1002\");\n if (el != null) {\n el.textContent = \"BokehJS is loading...\";\n }\n if (root.Bokeh !== undefined) {\n if (el != null) {\n el.textContent = \"BokehJS \" + root.Bokeh.version + \" successfully loaded.\";\n }\n } else if (Date.now() < root._bokeh_timeout) {\n setTimeout(display_loaded, 100)\n }\n }\n\n function run_callbacks() {\n try {\n root._bokeh_onload_callbacks.forEach(function(callback) {\n if (callback != null)\n callback();\n });\n } finally {\n delete root._bokeh_onload_callbacks\n }\n console.debug(\"Bokeh: all callbacks have finished\");\n }\n\n function load_libs(css_urls, js_urls, callback) {\n if (css_urls == null) css_urls = [];\n if (js_urls == null) js_urls = [];\n\n root._bokeh_onload_callbacks.push(callback);\n if (root._bokeh_is_loading > 0) {\n console.debug(\"Bokeh: BokehJS is being loaded, scheduling callback at\", now());\n return null;\n }\n if (js_urls == null || js_urls.length === 0) {\n run_callbacks();\n return null;\n }\n console.debug(\"Bokeh: BokehJS not loaded, scheduling load and callback at\", now());\n root._bokeh_is_loading = css_urls.length + js_urls.length;\n\n function on_load() {\n root._bokeh_is_loading--;\n if (root._bokeh_is_loading === 0) {\n console.debug(\"Bokeh: all BokehJS libraries/stylesheets loaded\");\n run_callbacks()\n }\n }\n\n function on_error(url) {\n console.error(\"failed to load \" + url);\n }\n\n for (let i = 0; i < css_urls.length; i++) {\n const url = css_urls[i];\n const element = document.createElement(\"link\");\n element.onload = on_load;\n element.onerror = on_error.bind(null, url);\n element.rel = \"stylesheet\";\n element.type = \"text/css\";\n element.href = url;\n console.debug(\"Bokeh: injecting link tag for BokehJS stylesheet: \", url);\n document.body.appendChild(element);\n }\n\n for (let i = 0; i < js_urls.length; i++) {\n const url = js_urls[i];\n const element = document.createElement('script');\n element.onload = on_load;\n element.onerror = on_error.bind(null, url);\n element.async = false;\n element.src = url;\n console.debug(\"Bokeh: injecting script tag for BokehJS library: \", url);\n document.head.appendChild(element);\n }\n };\n\n function inject_raw_css(css) {\n const element = document.createElement(\"style\");\n element.appendChild(document.createTextNode(css));\n document.body.appendChild(element);\n }\n\n const js_urls = [\"https://cdn.bokeh.org/bokeh/release/bokeh-2.4.3.min.js\", \"https://cdn.bokeh.org/bokeh/release/bokeh-gl-2.4.3.min.js\", \"https://cdn.bokeh.org/bokeh/release/bokeh-widgets-2.4.3.min.js\", \"https://cdn.bokeh.org/bokeh/release/bokeh-tables-2.4.3.min.js\", \"https://cdn.bokeh.org/bokeh/release/bokeh-mathjax-2.4.3.min.js\"];\n const css_urls = [];\n\n const inline_js = [ function(Bokeh) {\n Bokeh.set_log_level(\"info\");\n },\nfunction(Bokeh) {\n }\n ];\n\n function run_inline_js() {\n if (root.Bokeh !== undefined || force === true) {\n for (let i = 0; i < inline_js.length; i++) {\n inline_js[i].call(root, root.Bokeh);\n }\nif (force === true) {\n display_loaded();\n }} else if (Date.now() < root._bokeh_timeout) {\n setTimeout(run_inline_js, 100);\n } else if (!root._bokeh_failed_load) {\n console.log(\"Bokeh: BokehJS failed to load within specified timeout.\");\n root._bokeh_failed_load = true;\n } else if (force !== true) {\n const cell = $(document.getElementById(\"1002\")).parents('.cell').data().cell;\n cell.output_area.append_execute_result(NB_LOAD_WARNING)\n }\n }\n\n if (root._bokeh_is_loading === 0) {\n console.debug(\"Bokeh: BokehJS loaded, going straight to plotting\");\n run_inline_js();\n } else {\n load_libs(css_urls, js_urls, function() {\n console.debug(\"Bokeh: BokehJS plotting callback run at\", now());\n run_inline_js();\n });\n }\n}(window));" - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "output_notebook()\n", - "\n", - "p = figure(width=1000, height=300,tools = \"pan,box_zoom,reset\",toolbar_location=\"below\",\n", - " toolbar_sticky=False)\n", - "p.title.text = 'Biophysical properties'\n", - "\n", - "\n", - "l1=p.line(dynamic_properties.seqpos, dynamic_properties.backbone, line_width=2, color='blue', alpha=0.8,\n", - " muted_color='blue', muted_alpha=0.2, legend_label='backbone_dynamics')\n", - "\n", - "l2=p.line(dynamic_properties.seqpos, dynamic_properties.disoMine, line_width=2, color='red', alpha=0.8,\n", - " muted_color='red', muted_alpha=0.2, legend_label='disorder')\n", - "\n", - "l3=p.line(dynamic_properties.seqpos, dynamic_properties.earlyFolding, line_width=2, color='grey', alpha=0.8,\n", - " muted_color='grey', muted_alpha=0.2, legend_label='earlyFolding')\n", - "\n", - "l4=p.scatter(modifications_table.position,[0.5]*len(modifications_table.position),\\\n", - " fill_alpha=0.6, color='grey',size=10,legend_label='P-sites')\n", - "\n", - "p.add_tools(HoverTool(tooltips=\"Seqpos:@x, value:@y\", renderers=[l1,l2,l3]))\n", - "p.add_tools(HoverTool(tooltips=\"Seqpos:@x\", renderers=[l4]))\n", - "# p.add_tools(BoxZoomTool(match_aspect=False))\n", - "\n", - "\n", - "legend=p.legend[0]\n", - "p.legend.click_policy=\"mute\"\n", - "p.add_layout(legend, 'right')\n" - ] - }, - { - "cell_type": "markdown", - "id": "17952635-13d3-4c2a-80c2-9f1387510e88", - "metadata": {}, - "source": [ - "## visualize the plots and interpret" - ] - }, - { - "cell_type": "code", - "execution_count": 23, - "id": "d2c61430-d6d0-47d5-bd82-e54f352581d1", - "metadata": {}, - "outputs": [], - "source": [ - "from bokeh.models import Div\n", - "from bokeh.layouts import column\n", - "\n", - "notes = Div(\n", - " width=1000,\n", - " style={\"padding\": \"10px\"},\n", - " text=\"\"\"\n", - "
\n", - "\n", - " How to read the tracks

\n", - "\n", - " Backbone dynamics:\n", - " \n", - " >1.0 membrane-spanning,\n", - " 0.8–1.0 rigid,\n", - " 0.69–0.80 context-dependent,\n", - " <0.69 flexible\n", - " \n", - "

\n", - "\n", - " Disorder (DisoMine):\n", - " \n", - " values >0.50 indicate disordered regions\n", - " \n", - "

\n", - "\n", - " Early folding:\n", - " \n", - " values >0.169 suggest early-folding propensity\n", - " \n", - "

\n", - "\n", - " P-sites:\n", - " \n", - " phosphorylation positions (grey dots)\n", - " \n", - "\n", - "
\n", - " \"\"\"\n", - ")\n", - "\n", - "show(column(p, notes))\n" - ] - }, - { - "cell_type": "markdown", - "id": "04ef888f", - "metadata": {}, - "source": [ - "## Mutation analysis on Target protein\n", - "\n", - "We will try to mutate some amino acids in one or multiple positions and \n", - "predict the Biophysical properties for the mutated sequence" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "id": "edb9e847", - "metadata": {}, - "outputs": [], - "source": [ - "# Global store (used later by inference tables)\n", - "MUTATIONS = []\n", - "\n", - "def mutateSeq_and_store(sequence, store_global=True):\n", - " \"\"\"\n", - " Ask once for mutation positions + mutant AAs.\n", - " Returns:\n", - " mutated_sequence (str)\n", - " mutations (list of tuples): [(pos_1based, mutAA), ...]\n", - " Side effect (optional):\n", - " sets global MUTATIONS so later cells can reuse it without asking again.\n", - " \"\"\"\n", - "\n", - " pos_raw = input(\"Please enter the positions to mutate (comma-separated, 1-based): \").strip()\n", - " aa_raw = input(\"Please enter the aminoacid(s) to mutate TO (comma-separated): \").strip()\n", - "\n", - " poslis = [p.strip() for p in pos_raw.split(\",\") if p.strip()]\n", - " aalis = [a.strip().upper() for a in aa_raw.split(\",\") if a.strip()]\n", - "\n", - " if len(poslis) != len(aalis):\n", - " raise ValueError(\"Number of positions and amino acids must match.\")\n", - "\n", - " standardAA = set(list(\"ARNDCEQGHILKMFPSTWYV\"))\n", - " bad = [a for a in aalis if a not in standardAA]\n", - " if bad:\n", - " raise ValueError(f\"Some amino acid(s) not recognized: {bad}. Use standard 1-letter codes.\")\n", - "\n", - " positions = [int(p) for p in poslis]\n", - " L = len(sequence)\n", - "\n", - " # Validate positions\n", - " out_of_range = [p for p in positions if p < 1 or p > L]\n", - " if out_of_range:\n", - " raise ValueError(f\"Position(s) out of range (1..{L}): {out_of_range}\")\n", - "\n", - " # Apply mutations (supports multiple)\n", - " mut_seq_list = list(sequence)\n", - " mutations = []\n", - "\n", - " # If user repeats a position, last one wins\n", - " for pos, aa in zip(positions, aalis):\n", - " mut_seq_list[pos - 1] = aa\n", - " mutations.append((pos, aa))\n", - "\n", - " mutated_sequence = \"\".join(mut_seq_list)\n", - "\n", - " if store_global:\n", - " global MUTATIONS\n", - " MUTATIONS = mutations\n", - "\n", - " # Quick summary\n", - " summary = \", \".join([f\"{sequence[p-1]}{p}{aa}\" for p, aa in mutations])\n", - " print(\"Applied mutations:\", summary)\n", - "\n", - " return mutated_sequence, mutations\n", - "\n", - "\n" - ] - }, - { - "cell_type": "markdown", - "id": "1f9f90ea", - "metadata": {}, - "source": [ - "## Mutate here\n", - "Now let's try to enter where we want to mutate and replace the amino acids at the position" - ] - }, - { - "cell_type": "code", - "execution_count": 24, - "id": "0d1cd5a1", - "metadata": {}, - "outputs": [], - "source": [ - "mutated_sequence, MUTATIONS = mutateSeq_and_store(sequence)" - ] - }, - { - "cell_type": "markdown", - "id": "eef1861f", - "metadata": {}, - "source": [ - "### Predict Biophysical properties for the mutated sequence" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "id": "ab18ae04", - "metadata": {}, - "outputs": [], - "source": [ - "%%capture\n", - "\n", - "biophysical_features_mut = predict_biophysical_features(TARGET_PROTEIN_ID, mutated_sequence)\n", - "\n", - "biophysical_features_mut_protein = biophysical_features_mut['proteins'][TARGET_PROTEIN_ID]\n", - "\n", - "biophysical_features_mut_protein['BD_label'] = []\n", - "biophysical_features_mut_protein['DO_label'] = []\n", - "biophysical_features_mut_protein['EF_label'] = []\n", - "\n", - "for index, residue in enumerate(biophysical_features_mut_protein['seq']):\n", - " mut_backbone = biophysical_features_mut_protein['backbone'][index]\n", - " biophysical_features_mut_protein['BD_label'].append(1 if mut_backbone > 1 else 2 if mut_backbone > 0.8 else 3 if mut_backbone > 0.69 else 4)\n", - "\n", - " mut_disorder_propensity = biophysical_features_mut_protein['disoMine'][index]\n", - " biophysical_features_mut_protein['DO_label'].append(1 if mut_disorder_propensity > 0.5 else 0)\n", - "\n", - " mut_early_folding = biophysical_features_mut_protein['earlyFolding'][index]\n", - " biophysical_features_mut_protein['EF_label'].append(1 if mut_early_folding > 0.169 else 0)\n", - " " - ] - }, - { - "cell_type": "markdown", - "id": "0d01fb9a", - "metadata": {}, - "source": [ - "### Covert biophysical properties into a pandas DataFrame" - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "id": "3bfefcd0", - "metadata": {}, - "outputs": [], - "source": [ - "dynamic_properties_mut=pd.DataFrame(biophysical_features_mut_protein)\n", - "dynamic_properties_mut['seqpos']=range(1,len(dynamic_properties_mut)+1)" - ] - }, - { - "cell_type": "markdown", - "id": "5c507682", - "metadata": {}, - "source": [ - "### Plot results of mutated sequence\n", - "Let's plot the Biophysical properties for the Original and Mutated sequences\n", - "\n", - "For visualization of dynamic properties we will use Bokeh interactive visualization package" - ] - }, - { - "cell_type": "code", - "execution_count": 25, - "id": "eee0c15d", - "metadata": {}, - "outputs": [], - "source": [ - "output_notebook()\n", - "\n", - "p_mut = figure(width=1000, height=300,tools = \"pan,box_zoom,reset\",toolbar_location=\"below\",\n", - " toolbar_sticky=False)\n", - "p_mut.title.text = 'Biophysical properties'\n", - "\n", - "\n", - "b1=p_mut.line(dynamic_properties.seqpos, dynamic_properties.backbone, line_width=2, color='skyblue', alpha=0.8,\n", - " muted_color='skyblue', muted_alpha=0.2, legend_label='backbone_dynamics')\n", - "\n", - "b2=p_mut.line(dynamic_properties_mut.seqpos, dynamic_properties_mut.backbone, line_width=2, color='blue', alpha=0.8,\n", - " muted_color='blue', muted_alpha=0.2, legend_label='backbone_mut')\n", - "\n", - "\n", - "d1=p_mut.line(dynamic_properties.seqpos, dynamic_properties.disoMine, line_width=2, color='salmon', alpha=0.8,\n", - " muted_color='salmon', muted_alpha=0.2, legend_label='disorder')\n", - "d2=p_mut.line(dynamic_properties_mut.seqpos, dynamic_properties_mut.disoMine, line_width=2, color='red', alpha=0.8,\n", - " muted_color='red', muted_alpha=0.2, legend_label='disorder_mut')\n", - "\n", - "e1=p_mut.line(dynamic_properties.seqpos, dynamic_properties.earlyFolding, line_width=2, color='grey', alpha=0.8,\n", - " muted_color='grey', muted_alpha=0.2, legend_label='earlyFolding')\n", - "e2=p_mut.line(dynamic_properties_mut.seqpos, dynamic_properties_mut.earlyFolding, line_width=2, color='black', alpha=0.8,\n", - " muted_color='black', muted_alpha=0.2, legend_label='earlyFolding_mut')\n", - "\n", - "l4=p_mut.scatter(modifications_table.position,[0.5]*len(modifications_table.position),\\\n", - " fill_alpha=0.6, color='grey',size=10,legend_label='P-sites')\n", - "\n", - "p_mut.add_tools(HoverTool(tooltips=\"Seqpos:@x, value:@y\", renderers=[b1,b2,d1,d2,e1,e2]))\n", - "p_mut.add_tools(HoverTool(tooltips=\"Seqpos:@x\", renderers=[l4]))\n", - "\n", - "\n", - "legend=p_mut.legend[0]\n", - "p_mut.legend.click_policy=\"mute\"\n", - "p_mut.add_layout(legend, 'right')\n" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "id": "9b78e4a1-ec3c-4801-8c15-2baefda72e08", - "metadata": {}, - "outputs": [], - "source": [ - "from bokeh.models import Div\n", - "from bokeh.layouts import column\n", - "\n", - "notes = Div(\n", - " width=1000,\n", - " style={\"padding\": \"10px\"},\n", - " text=\"\"\"\n", - "
\n", - "\n", - " How to read the tracks

\n", - "\n", - " Backbone dynamics:\n", - " \n", - " >1.0 membrane-spanning,\n", - " 0.8–1.0 rigid,\n", - " 0.69–0.80 context-dependent,\n", - " <0.69 flexible\n", - " \n", - "

\n", - "\n", - " Disorder (DisoMine):\n", - " \n", - " values >0.50 indicate disordered regions\n", - " \n", - "

\n", - "\n", - " Early folding:\n", - " \n", - " values >0.169 suggest early-folding propensity\n", - " \n", - "

\n", - "\n", - " P-sites:\n", - " \n", - " phosphorylation positions (grey dots)\n", - " \n", - "\n", - "
\n", - " \"\"\"\n", - ")\n", - "\n" - ] - }, - { - "cell_type": "code", - "execution_count": 26, - "id": "27cfd950", - "metadata": {}, - "outputs": [], - "source": [ - "show(column(p_mut,notes))" - ] - }, - { - "cell_type": "markdown", - "id": "fd013272-379c-4491-a0fb-7914d1d75403", - "metadata": {}, - "source": [ - "### Save the plot as svg, png, or jpg" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "e9285696", - "metadata": {}, - "outputs": [], - "source": [ - "plot.output_backend = \"svg\"\n", - "export_svgs(plot, filename=\"plot.svg\")" - ] - }, - { - "cell_type": "markdown", - "id": "9c4eabd0-e8eb-42c6-ab7f-e2d42211755c", - "metadata": {}, - "source": [ - "### Inference (What does the mutataion predictions tells us about the biophysical properties?)" - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "id": "2c9c4d70-eae6-4d53-ac91-e7556fb2d119", - "metadata": {}, - "outputs": [], - "source": [ - "import pandas as pd\n", - "from IPython.display import display\n", - "\n", - "# --- Label functions based on your cutoffs ---\n", - "\n", - "def label_backbone(x: float) -> str:\n", - " if x > 1.0:\n", - " return \"membrane-spanning\"\n", - " if x > 0.8:\n", - " return \"rigid\"\n", - " if x > 0.69:\n", - " return \"context-dependent\"\n", - " return \"flexible\"\n", - "\n", - "def label_disorder(x: float) -> str:\n", - " return \"disordered\" if x > 0.50 else \"ordered\"\n", - "\n", - "def label_earlyfold(x: float) -> str:\n", - " return \"early-folding\" if x > 0.169 else \"low\"\n", - "\n", - "LABEL_FUNCS = {\n", - " \"backbone\": (label_backbone, \"Backbone\"),\n", - " \"disoMine\": (label_disorder, \"Disorder\"),\n", - " \"earlyFolding\": (label_earlyfold, \"EarlyFolding\"),\n", - "}\n", - "\n", - "def mutation_effect_table_with_label_shift(\n", - " wt_df: pd.DataFrame,\n", - " mut_df: pd.DataFrame,\n", - " feature: str,\n", - " window: int = 5,\n", - " mutations=None, # uses MUTATIONS by default\n", - "):\n", - " if mutations is None:\n", - " mutations = MUTATIONS\n", - "\n", - " if feature not in LABEL_FUNCS:\n", - " raise ValueError(f\"feature must be one of {list(LABEL_FUNCS.keys())}\")\n", - "\n", - " label_fn, pretty = LABEL_FUNCS[feature]\n", - "\n", - " wt = wt_df.set_index(\"seqpos\", drop=False)\n", - " mu = mut_df.set_index(\"seqpos\", drop=False)\n", - " max_pos = int(wt[\"seqpos\"].max())\n", - "\n", - " rows = []\n", - "\n", - " for pos, aa_to in mutations:\n", - " if pos not in wt.index or pos not in mu.index:\n", - " rows.append({\n", - " \"pos\": pos, \"WT_AA\": \"\", \"Mut_AA\": aa_to,\n", - " \"mutation\": f\"?{pos}{aa_to}\", \"window\": \"\",\n", - " \"WT_label@pos\": \"\", \"Mut_label@pos\": \"\",\n", - " \"WT_label_mean\": \"\", \"Mut_label_mean\": \"\",\n", - " \"Δ@pos\": None, \"Δ_mean\": None,\n", - " \"inference\": \"Position out of range\", \"note\": \"\"\n", - " })\n", - " continue\n", - "\n", - " wt_aa = str(wt.loc[pos, \"seq\"])\n", - " lo = max(1, pos - window)\n", - " hi = min(max_pos, pos + window)\n", - "\n", - " wt_center = float(wt.loc[pos, feature])\n", - " mu_center = float(mu.loc[pos, feature])\n", - " d_center = mu_center - wt_center\n", - "\n", - " wt_mean = float(wt.loc[lo:hi, feature].astype(float).mean())\n", - " mu_mean = float(mu.loc[lo:hi, feature].astype(float).mean())\n", - " d_mean = mu_mean - wt_mean\n", - "\n", - " wt_lab_pos = label_fn(wt_center)\n", - " mu_lab_pos = label_fn(mu_center)\n", - " wt_lab_mean = label_fn(wt_mean)\n", - " mu_lab_mean = label_fn(mu_mean)\n", - "\n", - " # Inference focuses on label transitions\n", - " if wt_lab_pos != mu_lab_pos:\n", - " shift_pos = f\"{wt_lab_pos} → {mu_lab_pos}\"\n", - " else:\n", - " shift_pos = f\"{wt_lab_pos} (no class change)\"\n", - "\n", - " if wt_lab_mean != mu_lab_mean:\n", - " shift_mean = f\"{wt_lab_mean} → {mu_lab_mean}\"\n", - " else:\n", - " shift_mean = f\"{wt_lab_mean} (no class change)\"\n", - "\n", - " inference = (\n", - " f\"{pretty}: {shift_pos} at site (Δ {d_center:+.3f}); \"\n", - " f\"window mean: {shift_mean} (Δ {d_mean:+.3f})\"\n", - " )\n", - "\n", - " note_parts = []\n", - " # sanity check: if your mutated_sequence is used, this should match\n", - " mut_aa_seq = str(mu.loc[pos, \"seq\"])\n", - " if mut_aa_seq.upper() != aa_to.upper():\n", - " note_parts.append(f\"Mut seq AA={mut_aa_seq} (expected {aa_to})\")\n", - "\n", - " rows.append({\n", - " \"pos\": pos,\n", - " \"WT_AA\": wt_aa,\n", - " \"Mut_AA\": aa_to,\n", - " \"mutation\": f\"{wt_aa}{pos}{aa_to}\",\n", - " \"window\": f\"{lo}-{hi}\",\n", - "\n", - " f\"{pretty}_WT@pos\": wt_center,\n", - " f\"{pretty}_Mut@pos\": mu_center,\n", - " \"WT_label@pos\": wt_lab_pos,\n", - " \"Mut_label@pos\": mu_lab_pos,\n", - " \"Δ@pos\": d_center,\n", - "\n", - " f\"{pretty}_WT_mean(±{window})\": wt_mean,\n", - " f\"{pretty}_Mut_mean(±{window})\": mu_mean,\n", - " \"WT_label_mean\": wt_lab_mean,\n", - " \"Mut_label_mean\": mu_lab_mean,\n", - " \"Δ_mean\": d_mean,\n", - "\n", - " \"inference\": inference,\n", - " \"note\": \"; \".join(note_parts)\n", - " })\n", - "\n", - " df = pd.DataFrame(rows)\n", - "\n", - " # Pretty rounding for numeric cols\n", - " num_cols = [c for c in df.columns if any(k in c for k in [\"_WT@\", \"_Mut@\", \"_WT_mean\", \"_Mut_mean\", \"Δ@pos\", \"Δ_mean\"])]\n", - " for c in num_cols:\n", - " df[c] = pd.to_numeric(df[c], errors=\"coerce\").round(3)\n", - "\n", - " # display(df.style.set_caption(f\"{pretty} label-shift summary (±{window} AA)\"))\n", - " return df\n" - ] - }, - { - "cell_type": "code", - "execution_count": 27, - "id": "3f04448e-80af-4194-91be-f1aaeb0c770c", - "metadata": {}, - "outputs": [], - "source": [ - "# Backbone label shifts\n", - "mutation_effect_table_with_label_shift(dynamic_properties, dynamic_properties_mut, feature=\"backbone\", mutations=MUTATIONS, window=5)\n" - ] - }, - { - "cell_type": "code", - "execution_count": 28, - "id": "99afa541-51eb-499f-94bf-6d5c1fb87639", - "metadata": {}, - "outputs": [], - "source": [ - "# Disorder label shifts\n", - "mutation_effect_table_with_label_shift(dynamic_properties, dynamic_properties_mut, feature=\"disoMine\", mutations=MUTATIONS, window=5)" - ] - }, - { - "cell_type": "code", - "execution_count": 29, - "id": "4889517f-74bc-49ca-b797-5ffe1e9b7347", - "metadata": {}, - "outputs": [], - "source": [ - "# Disorder label shifts\n", - "mutation_effect_table_with_label_shift(dynamic_properties, dynamic_properties_mut, feature=\"earlyFolding\", mutations=MUTATIONS, window=5)" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.10.12" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/notebooks/Peptide_mapper_fileupload_voila.ipynb b/notebooks/Peptide_mapper_fileupload_voila.ipynb index 1a7fd62..1d629be 100644 --- a/notebooks/Peptide_mapper_fileupload_voila.ipynb +++ b/notebooks/Peptide_mapper_fileupload_voila.ipynb @@ -27,7 +27,7 @@ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "8fc73c7604984da9a36481ccc7addf1d", + "model_id": "9f67753b9bdf4d0d8b2d27e80d22db65", "version_major": 2, "version_minor": 0 }, @@ -36,10 +36,18 @@ "metadata": {}, "output_type": "display_data" }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/paddy/venvs/ptm/lib/python3.12/site-packages/nglview/__init__.py:12: UserWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html. The pkg_resources package is slated for removal as early as 2025-11-30. Refrain from using this package or pin to Setuptools<81.\n", + " import pkg_resources\n" + ] + }, { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "6bc63bf29ccf4ca5893cd08a94f03e67", + "model_id": "a7825ffbd74f4b8685711c2f343b36fb", "version_major": 2, "version_minor": 0 }, @@ -698,7 +706,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.12" + "version": "3.12.3" } }, "nbformat": 4, diff --git a/notebooks/Peptide_mapper_scop3p_voila.ipynb b/notebooks/Peptide_mapper_scop3p_voila.ipynb index 80bf431..8430e9f 100644 --- a/notebooks/Peptide_mapper_scop3p_voila.ipynb +++ b/notebooks/Peptide_mapper_scop3p_voila.ipynb @@ -20,10 +20,22 @@ "id": "aa78e88b-1eef-4df2-8783-67208e8b13c0", "metadata": {}, "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/paddy/venvs/ptm/lib/python3.12/site-packages/b2bTools/singleSeq/PSPer/Constants.py:18: UserWarning: \n", + "PSPer can only run if HMMER is installed.\n", + "Please install it from http://hmmer.org on your computer, and refer to this installation in the\n", + " b2bTools/python/b2bTools/singleSeq/PSPer/Constant.py\n", + "file by pointing the hmmbuild_bin and hmmscan_bin variables at the binaries.\n", + " warnings.warn(\"\"\"\n" + ] + }, { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "4e75c608a90244d89518e2e499dc4af8", + "model_id": "2b623049f1d54b8fae909e4d4a703f24", "version_major": 2, "version_minor": 0 }, @@ -33,18 +45,16 @@ "output_type": "display_data" }, { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "f48174f10d6746b4b0bbfe8f2e96bfa3", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "VBox(children=(HTML(value='Scop3P → AlphaFold → NGLView peptide mapper
Enter accession → Load → (opt…" - ] - }, - "metadata": {}, - "output_type": "display_data" + "ename": "ModuleNotFoundError", + "evalue": "No module named 'pkg_resources'", + "output_type": "error", + "traceback": [ + "\u001b[31m---------------------------------------------------------------------------\u001b[39m", + "\u001b[31mModuleNotFoundError\u001b[39m Traceback (most recent call last)", + "\u001b[36mCell\u001b[39m\u001b[36m \u001b[39m\u001b[32mIn[1]\u001b[39m\u001b[32m, line 12\u001b[39m\n\u001b[32m 8\u001b[39m \u001b[38;5;28;01mfrom\u001b[39;00m urllib.error \u001b[38;5;28;01mimport\u001b[39;00m HTTPError, URLError\n\u001b[32m 9\u001b[39m \u001b[38;5;28;01mimport\u001b[39;00m re\n\u001b[32m 10\u001b[39m \n\u001b[32m 11\u001b[39m \u001b[38;5;28;01mfrom\u001b[39;00m IPython.display \u001b[38;5;28;01mimport\u001b[39;00m display, clear_output\n\u001b[32m---> \u001b[39m\u001b[32m12\u001b[39m \u001b[38;5;28;01mimport\u001b[39;00m nglview \u001b[38;5;28;01mas\u001b[39;00m nv\n\u001b[32m 13\u001b[39m \n\u001b[32m 14\u001b[39m \u001b[38;5;28;01mfrom\u001b[39;00m pathlib \u001b[38;5;28;01mimport\u001b[39;00m Path\n\u001b[32m 15\u001b[39m \n", + "\u001b[36mFile \u001b[39m\u001b[32m~/venvs/ptm/lib/python3.12/site-packages/nglview/__init__.py:12\u001b[39m\n\u001b[32m 9\u001b[39m \u001b[38;5;28;01mfrom\u001b[39;00m\u001b[38;5;250m \u001b[39m\u001b[34;01m.\u001b[39;00m\u001b[34;01mutils\u001b[39;00m\u001b[38;5;250m \u001b[39m\u001b[38;5;28;01mimport\u001b[39;00m js_utils, widget_utils\n\u001b[32m 10\u001b[39m \u001b[38;5;28;01mfrom\u001b[39;00m\u001b[38;5;250m \u001b[39m\u001b[34;01m.\u001b[39;00m\u001b[34;01mwidget\u001b[39;00m\u001b[38;5;250m \u001b[39m\u001b[38;5;28;01mimport\u001b[39;00m NGLWidget, write_html\n\u001b[32m---> \u001b[39m\u001b[32m12\u001b[39m \u001b[38;5;28;01mimport\u001b[39;00m\u001b[38;5;250m \u001b[39m\u001b[34;01mpkg_resources\u001b[39;00m\n\u001b[32m 14\u001b[39m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[32m 15\u001b[39m __version__ = pkg_resources.get_distribution(\u001b[33m\"\u001b[39m\u001b[33mnglview\u001b[39m\u001b[33m\"\u001b[39m).version\n", + "\u001b[31mModuleNotFoundError\u001b[39m: No module named 'pkg_resources'" + ] } ], "source": [ @@ -624,7 +634,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.12" + "version": "3.12.3" } }, "nbformat": 4, diff --git a/notebooks/RINAlign_v3_voila_ready.ipynb b/notebooks/RINAlign_v3_voila_ready.ipynb new file mode 100644 index 0000000..097d603 --- /dev/null +++ b/notebooks/RINAlign_v3_voila_ready.ipynb @@ -0,0 +1,935 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# RINAlign — Residue Interaction Network Alignment & Comparison\n", + "\n", + "**Modes:** Same protein (diff) | Different proteins (graph align)\n", + "\n", + "Enter a **UniProt ID** to start.\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "import warnings\n", + "warnings.filterwarnings('ignore')\n", + "import ipywidgets as widgets\n", + "from IPython.display import display, HTML, clear_output\n", + "import requests, json, io, re, hashlib, tempfile, os\n", + "import numpy as np\n", + "import networkx as nx\n", + "from scipy.optimize import linear_sum_assignment\n", + "from collections import Counter\n", + "try:\n", + " from Bio.PDB import PDBParser, MMCIFParser\n", + " HAS_BIOPYTHON = True\n", + "except ImportError:\n", + " HAS_BIOPYTHON = False\n", + " print(\"Install BioPython: pip install biopython\")\n", + "print(\"RINAlign loaded\")\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# ── API Helpers ───────────────────────────────────────────────\n", + "\n", + "def fetch_uniprot_info(uid):\n", + " r = requests.get(f\"https://rest.uniprot.org/uniprotkb/{uid}.json\", headers={'Accept':'application/json'})\n", + " if r.status_code != 200: raise ValueError(f\"UniProt ID not found ({r.status_code})\")\n", + " d = r.json()\n", + " info = {'accession':d.get('primaryAccession',uid),'protein_name':'','gene_name':'','organism':'','length':0,'_raw':d}\n", + " prot = d.get('proteinDescription',{})\n", + " rec = prot.get('recommendedName', prot.get('submittedName',[{}]))\n", + " if isinstance(rec,list): rec = rec[0] if rec else {}\n", + " fn = rec.get('fullName',{})\n", + " info['protein_name'] = fn.get('value','') if isinstance(fn,dict) else str(fn)\n", + " genes = d.get('genes',[{}])\n", + " if genes:\n", + " gn = genes[0].get('geneName',{})\n", + " info['gene_name'] = gn.get('value','') if isinstance(gn,dict) else str(gn)\n", + " info['organism'] = d.get('organism',{}).get('scientificName','')\n", + " info['length'] = d.get('sequence',{}).get('length',0)\n", + " return info\n", + "\n", + "\n", + "def fetch_pdb_structures(uid, uniprot_data=None):\n", + " \"\"\"Fetch PDB structures using multiple strategies:\n", + " 1. UniProt cross-references (most reliable - already fetched)\n", + " 2. PDBe best_structures endpoint (fallback)\n", + " 3. PDBe SIFTS endpoint (last resort)\n", + " \"\"\"\n", + " structures = []\n", + " seen = set()\n", + "\n", + " # ── Strategy 1: UniProt cross-references ──\n", + " if uniprot_data:\n", + " xrefs = uniprot_data.get('uniProtKBCrossReferences', [])\n", + " for xref in xrefs:\n", + " if xref.get('database') != 'PDB': continue\n", + " pdb_id = xref.get('id', '').upper()\n", + " if not pdb_id: continue\n", + " props = {p.get('key'):p.get('value') for p in xref.get('properties',[])}\n", + " method = props.get('Method', '')\n", + " resolution = props.get('Resolution', '')\n", + " chains_str = props.get('Chains', '')\n", + " # Parse: \"A/B=1-100\" or \"A=10-200, B=10-200\"\n", + " chain_entries = [c.strip() for c in chains_str.split(',')] if chains_str else ['?']\n", + " for ce in chain_entries:\n", + " parts = ce.split('=')\n", + " chain_ids = parts[0].strip() if parts else '?'\n", + " res_range = parts[1].strip() if len(parts) > 1 else ''\n", + " for ch in chain_ids.split('/'):\n", + " ch = ch.strip()\n", + " if not ch: continue\n", + " key = f\"{pdb_id}_{ch}\"\n", + " if key in seen: continue\n", + " seen.add(key)\n", + " res_val = None\n", + " if resolution:\n", + " try: res_val = float(resolution.replace(' A',''))\n", + " except: pass\n", + " lbl = f\"{pdb_id} chain {ch}\"\n", + " if res_range: lbl += f\" [{res_range}]\"\n", + " if res_val: lbl += f\" ({res_val}A)\"\n", + " elif method: lbl += f\" {method}\"\n", + " start, end = '?', '?'\n", + " if '-' in res_range:\n", + " rp = res_range.split('-')\n", + " try: start, end = int(rp[0]), int(rp[1])\n", + " except: pass\n", + " structures.append({\n", + " 'pdb_id':pdb_id,'chain_id':ch,'unp_start':start,'unp_end':end,\n", + " 'resolution':res_val,'method':method,'label':lbl,'source':'PDB',\n", + " })\n", + "\n", + " # ── Strategy 2: PDBe best_structures ──\n", + " if not structures:\n", + " try:\n", + " r = requests.get(f\"https://www.ebi.ac.uk/pdbe/api/mappings/best_structures/{uid}\", timeout=10)\n", + " if r.status_code == 200:\n", + " data = r.json()\n", + " for key in [uid.lower(), uid.upper(), uid]:\n", + " if key in data:\n", + " entries = data[key]\n", + " if isinstance(entries, list):\n", + " for e in entries:\n", + " pid = e.get('pdb_id','').upper()\n", + " ch = e.get('chain_id','?')\n", + " k2 = f\"{pid}_{ch}\"\n", + " if k2 in seen: continue\n", + " seen.add(k2)\n", + " res = e.get('resolution')\n", + " s,en = e.get('unp_start','?'),e.get('unp_end','?')\n", + " lbl = f\"{pid} chain {ch} [{s}-{en}]\"\n", + " if res: lbl += f\" ({res}A)\"\n", + " structures.append({'pdb_id':pid,'chain_id':ch,'unp_start':s,'unp_end':en,'resolution':res,'label':lbl,'source':'PDB'})\n", + " break\n", + " except: pass\n", + "\n", + " # ── Strategy 3: PDBe SIFTS ──\n", + " if not structures:\n", + " try:\n", + " r = requests.get(f\"https://www.ebi.ac.uk/pdbe/api/mappings/uniprot/{uid}\", timeout=10)\n", + " if r.status_code == 200:\n", + " for _, val in r.json().items():\n", + " pdb_block = val.get('PDB', val) if isinstance(val, dict) else {}\n", + " if not isinstance(pdb_block, dict): continue\n", + " for pid, chain_list in pdb_block.items():\n", + " if not isinstance(chain_list, list): continue\n", + " for ci in chain_list:\n", + " if not isinstance(ci, dict): continue\n", + " ch = ci.get('chain_id',ci.get('struct_asym_id','?'))\n", + " k2 = f\"{pid.upper()}_{ch}\"\n", + " if k2 in seen: continue\n", + " seen.add(k2)\n", + " s = ci.get('unp_start',ci.get('start',{}).get('residue_number','?') if isinstance(ci.get('start'),dict) else '?')\n", + " en = ci.get('unp_end',ci.get('end',{}).get('residue_number','?') if isinstance(ci.get('end'),dict) else '?')\n", + " res = ci.get('resolution')\n", + " lbl = f\"{pid.upper()} chain {ch} [{s}-{en}]\"\n", + " if res: lbl += f\" ({res}A)\"\n", + " structures.append({'pdb_id':pid.upper(),'chain_id':ch,'unp_start':s,'unp_end':en,'resolution':res,'label':lbl,'source':'PDB'})\n", + " except: pass\n", + "\n", + " structures.sort(key=lambda x: x.get('resolution') or 999)\n", + " return structures\n", + "\n", + "\n", + "def check_alphafold(uid):\n", + " try:\n", + " r = requests.get(f\"https://alphafold.ebi.ac.uk/api/prediction/{uid}\", timeout=10)\n", + " if r.status_code==200 and r.json():\n", + " e = r.json()[0]\n", + " return {'pdb_url':e.get('pdbUrl',''),'cif_url':e.get('cifUrl',''),\n", + " 'label':'AlphaFold (full protein)','source':'AlphaFold',\n", + " 'pdb_id':f'AF-{uid}','chain_id':'A'}\n", + " except: pass\n", + " return None\n", + "\n", + "\n", + "def download_structure(entry):\n", + " td = tempfile.mkdtemp()\n", + " if entry['source']=='AlphaFold':\n", + " url = entry.get('pdb_url',entry.get('cif_url',''))\n", + " ext = '.pdb' if 'pdb' in url else '.cif'\n", + " else:\n", + " url = f\"https://files.rcsb.org/download/{entry['pdb_id'].lower()}.cif\"; ext = '.cif'\n", + " r = requests.get(url)\n", + " if r.status_code!=200 and entry['source']!='AlphaFold':\n", + " url = f\"https://files.rcsb.org/download/{entry['pdb_id'].lower()}.pdb\"; r = requests.get(url); ext = '.pdb'\n", + " if r.status_code!=200: raise ValueError(f\"Download failed: {url}\")\n", + " fp = os.path.join(td, f\"s{ext}\")\n", + " with open(fp,'w') as f: f.write(r.text)\n", + " return fp, r.text\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# ── RIN Generation ────────────────────────────────────────────\n", + "\n", + "THREE_TO_ONE = {'ALA':'A','ARG':'R','ASN':'N','ASP':'D','CYS':'C','GLU':'E','GLN':'Q','GLY':'G',\\\n", + " 'HIS':'H','ILE':'I','LEU':'L','LYS':'K','MET':'M','PHE':'F','PRO':'P','SER':'S',\\\n", + " 'THR':'T','TRP':'W','TYR':'Y','VAL':'V','MSE':'M','PTR':'Y','SEP':'S','TPO':'T'}\n", + "RESIDUE_GROUPS = {'ALA':'H','VAL':'H','LEU':'H','ILE':'H','MET':'H','PHE':'A','TRP':'A','TYR':'A', 'PTR':'A',\\\n", + " 'SER':'P','SEP':'P','THR':'P', 'TPO':'P','ASN':'P','GLN':'P','ARG':'+','LYS':'+','HIS':'+','ASP':'-','GLU':'-','GLY':'S','CYS':'S','PRO':'S'}\n", + "\n", + "def get_cb(res):\n", + " rn = res.get_resname().strip()\n", + " if rn=='GLY': return res['CA'].get_vector().get_array() if 'CA' in res else None\n", + " if 'CB' in res: return res['CB'].get_vector().get_array()\n", + " if 'CA' in res: return res['CA'].get_vector().get_array()\n", + " return None\n", + "\n", + "def build_rin(filepath, chain_id=None, cutoff=8.0):\n", + " if not HAS_BIOPYTHON: raise ImportError(\"BioPython required\")\n", + " parser = MMCIFParser(QUIET=True) if filepath.endswith('.cif') else PDBParser(QUIET=True)\n", + " structure = parser.get_structure('p', filepath)\n", + " residues = []\n", + " for chain in structure[0]:\n", + " if chain_id and chain.get_id()!=chain_id: continue\n", + " for res in chain:\n", + " het,seq,_ = res.get_id(); rn = res.get_resname().strip()\n", + " if het!=' ' and rn not in THREE_TO_ONE: continue\n", + " if rn not in THREE_TO_ONE: continue\n", + " cb = get_cb(res)\n", + " if cb is None: continue\n", + " residues.append({'nid':f\"{rn}_{seq}\",'pos':seq,'rn':rn,'aa':THREE_TO_ONE.get(rn,'X'),'ch':chain.get_id(),'cb':cb})\n", + " G = nx.Graph()\n", + " for r in residues:\n", + " G.add_node(r['nid'], position=r['pos'], resname=r['rn'], one_letter=r['aa'], chain=r['ch'])\n", + " for i in range(len(residues)):\n", + " for j in range(i+1, len(residues)):\n", + " if residues[i]['ch']==residues[j]['ch'] and abs(residues[i]['pos']-residues[j]['pos'])<=1: continue\n", + " d = np.linalg.norm(residues[i]['cb']-residues[j]['cb'])\n", + " if d <= cutoff: G.add_edge(residues[i]['nid'], residues[j]['nid'], distance=round(d,2))\n", + " return G, {r['nid']:r for r in residues}\n", + "\n", + "def rin_html(G, label):\n", + " n,e = G.number_of_nodes(), G.number_of_edges()\n", + " return f\"
{label}
Nodes: {n} | Edges: {e} | Density: {nx.density(G):.3f}
\"\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# ── Same-Protein Diff ─────────────────────────────────────────\n", + "\n", + "def diff_rins(GL, GR):\n", + " pL = {GL.nodes[n].get('position'):n for n in GL if GL.nodes[n].get('position') is not None}\n", + " pR = {GR.nodes[n].get('position'):n for n in GR if GR.nodes[n].get('position') is not None}\n", + " matched = sorted(set(pL) & set(pR))\n", + " only_l = sorted(set(pL) - set(pR))\n", + " only_r = sorted(set(pR) - set(pL))\n", + " muts = [{'position':p,'left':GL.nodes[pL[p]].get('resname','?'),'right':GR.nodes[pR[p]].get('resname','?')} for p in matched if GL.nodes[pL[p]].get('resname','?') != GR.nodes[pR[p]].get('resname','?')]\n", + " def e2p(G,pm):\n", + " n2p={nid:p for p,nid in pm.items()}\n", + " return {(min(n2p[u],n2p[v]),max(n2p[u],n2p[v])) for u,v in G.edges() if u in n2p and v in n2p}\n", + " eL,eR = e2p(GL,pL), e2p(GR,pR)\n", + " ms = set(matched)\n", + " eLo = {e for e in eL if e[0] in ms and e[1] in ms}\n", + " eRo = {e for e in eR if e[0] in ms and e[1] in ms}\n", + " cons = sorted(eLo & eRo)\n", + " lost = sorted(eLo - eRo)\n", + " gained = sorted(eRo - eLo)\n", + " total = len(eLo | eRo)\n", + " ols = set(only_l)\n", + " onlyA = sorted({(min(i,j),max(i,j)) for i,j in eL if i in ols or j in ols})\n", + " impact = []\n", + " for p in matched:\n", + " lh = len([e for e in lost if p in e])\n", + " gh = len([e for e in gained if p in e])\n", + " im = any(m['position']==p for m in muts)\n", + " impact.append({'position':p,'resname_L':GL.nodes[pL[p]].get('resname','?'),'resname_R':GR.nodes[pR[p]].get('resname','?'),'deg_L':GL.degree(pL[p]),'deg_R':GR.degree(pR[p]),'lost':lh,'gained':gh,'net_change':gh-lh,'is_mutation':im})\n", + " impact.sort(key=lambda x: abs(x['net_change']), reverse=True)\n", + " return {'conserved':cons,'lost':lost,'gained':gained,'onlyA_edges':onlyA,'jaccard':len(cons)/total if total>0 else 1.0,'mutations':muts,'residue_impact':impact,'matched_pos':matched,'only_left_pos':only_l,'only_right_pos':only_r,'edges_L':len(eLo),'edges_R':len(eRo),'pos_to_left':pL,'pos_to_right':pR}\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# ── Graph Alignment (different proteins) ──────────────────────\n", + "\n", + "def restype_sim(r1,r2):\n", + " if r1==r2: return 1.0\n", + " g1,g2=RESIDUE_GROUPS.get(r1,'?'),RESIDUE_GROUPS.get(r2,'?')\n", + " return 0.5 if g1==g2 and g1!='?' else 0.0\n", + "\n", + "def wl_sigs(G, k=3):\n", + " labels = {n:G.nodes[n].get('resname',f\"D{G.degree(n)}\") for n in G}\n", + " hist = {n:[labels[n]] for n in G}\n", + " for _ in range(k):\n", + " new = {}\n", + " for n in G:\n", + " nb = sorted(labels[x] for x in G.neighbors(n))\n", + " new[n] = hashlib.md5((labels[n]+\"|\"+\",\".join(nb)).encode()).hexdigest()[:8]\n", + " labels = new\n", + " for n in G: hist[n].append(labels[n])\n", + " return hist\n", + "\n", + "def align_rins(G1, G2, wl_depth=3):\n", + " n1l,n2l = list(G1),list(G2)\n", + " n1,n2 = len(n1l),len(n2l)\n", + " d1 = [G1.degree(n) for n in n1l]\n", + " d2 = [G2.degree(n) for n in n2l]\n", + " md = max(max(d1,default=0),max(d2,default=0))\n", + " wl1,wl2 = wl_sigs(G1,wl_depth),wl_sigs(G2,wl_depth)\n", + " S = np.zeros((n1,n2))\n", + " for i in range(n1):\n", + " for j in range(n2):\n", + " s = 0.25*restype_sim(G1.nodes[n1l[i]].get('resname','UNK'),G2.nodes[n2l[j]].get('resname','UNK'))\n", + " s += 0.25*(1.0-abs(d1[i]-d2[j])/md if md>0 else 1.0)\n", + " s += 0.5*sum(1 for a,b in zip(wl1[n1l[i]],wl2[n2l[j]]) if a==b)/(wl_depth+1)\n", + " S[i,j] = s\n", + " ri,ci = linear_sum_assignment(-S)\n", + " mapping = [(n1l[r],n2l[c],S[r,c]) for r,c in zip(ri,ci)]\n", + " m12 = {a:b for a,b,_ in mapping}\n", + " g1t = {tuple(sorted([m12[u],m12[v]])) for u,v in G1.edges() if u in m12 and v in m12}\n", + " g2e = {tuple(sorted([u,v])) for u,v in G2.edges()}\n", + " cons = sorted(g1t & g2e)\n", + " union = len(g1t | g2e)\n", + " return {'mapping':mapping,'conserved':cons,'only_G1':sorted(g1t-g2e),'only_G2':sorted(g2e-g1t),'jaccard':len(cons)/union if union>0 else 0.0}\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# ── Visualizations ────────────────────────────────────────────\n", + "\n", + "def summary_html(diff, lL, lR):\n", + " nc,nl,ng,nm = len(diff['conserved']),len(diff['lost']),len(diff['gained']),len(diff['mutations'])\n", + " jc = diff['jaccard']\n", + " h = f\"

{lL} vs {lR}

\"\n", + " h += \"
\"\n", + " for bg,fg,lbl,val in [('#e8f5e9','#1b5e20','Conserved',nc),('#ffebee','#b71c1c','Lost',nl),('#e3f2fd','#0d47a1','Gained',ng),('#fff8e1','#e65100','Mutations',nm)]:\n", + " h += f\"
{lbl}
{val}
\"\n", + " h += f\"
Jaccard
{jc:.3f}
\"\n", + " h += \"
\"\n", + " if diff['mutations']:\n", + " h += f\"

Mutations

\"\n", + " for m in diff['mutations']:\n", + " h += f\"\"\n", + " h += \"
Pos{lL}{lR}
{m['position']}{m['left']}{m['right']}
\"\n", + " changed = [r for r in diff['residue_impact'] if r['net_change']!=0 or r['is_mutation']][:15]\n", + " if changed:\n", + " h += f\"

Residues with changes

\"\n", + " h += f\"\"\n", + " for r in changed:\n", + " rb = 'background:#fff8e1;' if r['is_mutation'] else ''\n", + " h += f\"\"\n", + " h += \"
Pos{lL}{lR}Deg LDeg RLostGained
{r['position']}{r['resname_L']}{r['resname_R']}{r['deg_L']}{r['deg_R']}{r['lost'] or ''}{r['gained'] or ''}
\"\n", + " h += \"
\"\n", + " return h\n", + "\n", + "\n", + "def contact_map_html(diff, lL, lR):\n", + " \"\"\"Interactive contact map with zoom, pan, hover, and click.\"\"\"\n", + " positions = sorted(diff['matched_pos'])\n", + " if not positions: return \"

No overlapping residues.

\"\n", + " pos_js = json.dumps(positions)\n", + " cons_js = json.dumps([list(e) for e in diff['conserved']])\n", + " lost_js = json.dumps([list(e) for e in diff['lost']])\n", + " gain_js = json.dumps([list(e) for e in diff['gained']])\n", + " muts_js = json.dumps([m['position'] for m in diff['mutations']])\n", + " # Build residue type lookup\n", + " pL, pR = diff.get('pos_to_left',{}), diff.get('pos_to_right',{})\n", + " rn_map = {}\n", + " for p in positions:\n", + " rnL = '?'\n", + " rnR = '?'\n", + " if hasattr(diff, '__getitem__'):\n", + " pass\n", + " rn_map[p] = 'UNK'\n", + " # Quick lookup from graphs (pass via residue_impact)\n", + " ri_map = {}\n", + " for r in diff.get('residue_impact',[]):\n", + " ri_map[r['position']] = r.get('resname_L','?')\n", + " rn_js = json.dumps(ri_map)\n", + " uid = 'cm' + str(abs(hash(str(positions[:3]))))[:6]\n", + "\n", + " return f'''
\n", + "
\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " 1.0x\n", + " \n", + "
\n", + "
\n", + " \n", + "
\n", + "
\n", + "
Scroll to zoom, drag to pan. Hover for details. {lL} (lower) vs {lR} (upper).
\n", + "
\n", + " '''\n", + "\n", + "\n", + "def aligned_network_html(diff, GL, GR, lL, lR):\n", + " \"\"\"Interactive aligned network overlay with range slider.\"\"\"\n", + " all_pos = sorted(set(\n", + " [GL.nodes[n].get('position') for n in GL if GL.nodes[n].get('position') is not None] +\n", + " [GR.nodes[n].get('position') for n in GR if GR.nodes[n].get('position') is not None]\n", + " ))\n", + " pLeft = diff.get('pos_to_left',{})\n", + " pRight = diff.get('pos_to_right',{})\n", + " nodes_js = []\n", + " for p in all_pos:\n", + " inA,inB = p in pLeft, p in pRight\n", + " aaA = GL.nodes[pLeft[p]].get('one_letter','?') if inA else '?'\n", + " aaB = GR.nodes[pRight[p]].get('one_letter','?') if inB else '?'\n", + " rnA = GL.nodes[pLeft[p]].get('resname','?') if inA else '?'\n", + " rnB = GR.nodes[pRight[p]].get('resname','?') if inB else '?'\n", + " im = any(m['position']==p for m in diff['mutations'])\n", + " nodes_js.append({'p':p,'aa':aaA if inA else aaB,'rn':rnA,'rnB':rnB if im else None,'inA':inA,'inB':inB,'mut':im})\n", + " edges_js = {'cons':[list(e) for e in diff['conserved']],'lost':[list(e) for e in diff['lost']],'gain':[list(e) for e in diff['gained']],'onlyA':[list(e) for e in diff.get('onlyA_edges',[])]}\n", + " nc,nl,ng,noa,nm = len(diff['conserved']),len(diff['lost']),len(diff['gained']),len(diff.get('onlyA_edges',[])),len(diff['mutations'])\n", + " mn = min(all_pos) if all_pos else 0\n", + " mx = max(all_pos) if all_pos else 100\n", + " nj = json.dumps(nodes_js)\n", + " ej = json.dumps(edges_js)\n", + "\n", + " return f'''
\n", + "

Aligned network overlay

\n", + "
\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + "
\n", + "
\n", + " \n", + " \n", + " {mn}-\n", + " \n", + " {mx}\n", + " \n", + "
\n", + "
\n", + "
Click a residue to inspect.
\n", + "
\n", + " '''\n", + "\n", + "\n", + "\n", + "def force_network_html(diff, GL, GR, lL, lR):\n", + " \"\"\"D3 force-directed network with proper edge rendering and node coloring.\"\"\"\n", + " all_pos = sorted(set(\n", + " [GL.nodes[n].get('position') for n in GL if GL.nodes[n].get('position') is not None] +\n", + " [GR.nodes[n].get('position') for n in GR if GR.nodes[n].get('position') is not None]\n", + " ))\n", + " pLeft = diff.get('pos_to_left',{})\n", + " pRight = diff.get('pos_to_right',{})\n", + " nodes_js = []\n", + " for p in all_pos:\n", + " inA,inB = p in pLeft, p in pRight\n", + " aaA = GL.nodes[pLeft[p]].get('one_letter','?') if inA else '?'\n", + " rnA = GL.nodes[pLeft[p]].get('resname','?') if inA else '?'\n", + " rnB = GR.nodes[pRight[p]].get('resname','?') if inB else '?'\n", + " im = any(m['position']==p for m in diff['mutations'])\n", + " cat = 'both' if (inA and inB) else ('onlyA' if inA else 'onlyB')\n", + " degA = GL.degree(pLeft[p]) if inA else 0\n", + " degB = GR.degree(pRight[p]) if inB else 0\n", + " lostH = len([e for e in diff['lost'] if p in e])\n", + " gainH = len([e for e in diff['gained'] if p in e])\n", + " nodes_js.append({'id':p,'aa':aaA if inA else (GR.nodes[pRight[p]].get('one_letter','?') if inB else '?'),\n", + " 'rn':rnA if inA else rnB,'rnB':rnB if im else None,\n", + " 'mut':im,'cat':cat,'deg':max(degA,degB),'change':abs(gainH-lostH)})\n", + "\n", + " # Build ONE combined edge array — D3 forceLink will mutate this in place\n", + " all_edges_js = []\n", + " for e in diff['conserved']:\n", + " all_edges_js.append({'source':e[0],'target':e[1],'type':'cons'})\n", + " for e in diff['lost']:\n", + " all_edges_js.append({'source':e[0],'target':e[1],'type':'lost'})\n", + " for e in diff['gained']:\n", + " all_edges_js.append({'source':e[0],'target':e[1],'type':'gain'})\n", + "\n", + " nc,nl,ng,nm = len(diff['conserved']),len(diff['lost']),len(diff['gained']),len(diff['mutations'])\n", + " nA = len(diff.get('only_left_pos',[]))\n", + " nB = len(diff.get('only_right_pos',[]))\n", + " uid = 'fn' + str(abs(hash(str(all_pos[:3]))))[:6]\n", + " nj = json.dumps(nodes_js)\n", + " aej = json.dumps(all_edges_js)\n", + "\n", + " return f'''
\n", + "

Force-directed network layout

\n", + "
\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + "
\n", + "
\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + "
\n", + "

Loading force layout...

\n", + "
\n", + " Nodes:\n", + " Both\n", + " Only {lL}\n", + " Only {lR}\n", + " Mutation\n", + " Edges:\n", + " Conserved\n", + " Lost\n", + " Gained\n", + "
\n", + "
Drag nodes to rearrange. Scroll to zoom. Click a residue to inspect.
\n", + "
\n", + " '''\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# ── App Widgets ───────────────────────────────────────────────\n", + "\n", + "app_state = {'uniprot_info':None,'structures':[],'alphafold':None,'G_left':None,'G_right':None,'info_left':None,'info_right':None,'diff_result':None}\n", + "\n", + "title_html = widgets.HTML(value=\"

🧬 RINAlign

Residue Interaction Network alignment & comparison

\")\n", + "mode_toggle = widgets.ToggleButtons(options=[('Same protein (diff)','same'),('Different proteins (align)','diff')], value='same', description='Mode:', style={'description_width':'50px'})\n", + "uniprot_input = widgets.Text(value='', placeholder='e.g. P04637, P0DTD1', description='UniProt:', style={'description_width':'60px'}, layout=widgets.Layout(width='300px'))\n", + "fetch_btn = widgets.Button(description='Fetch', button_style='primary', icon='search', layout=widgets.Layout(width='100px'))\n", + "protein_info_out = widgets.Output()\n", + "left_dd = widgets.Dropdown(options=[], description='Left:', style={'description_width':'40px'}, layout=widgets.Layout(width='100%'))\n", + "right_dd = widgets.Dropdown(options=[], description='Right:', style={'description_width':'40px'}, layout=widgets.Layout(width='100%'))\n", + "cutoff_slider = widgets.FloatSlider(value=8.0, min=4.0, max=14.0, step=0.5, description='Cutoff (A):', style={'description_width':'70px'}, layout=widgets.Layout(width='280px'))\n", + "gen_btn = widgets.Button(description='Generate RINs', button_style='info', icon='project-diagram', layout=widgets.Layout(width='145px'))\n", + "cmp_btn = widgets.Button(description='Compare / Align', button_style='success', icon='exchange-alt', layout=widgets.Layout(width='145px'), disabled=True)\n", + "left_rin_out = widgets.Output()\n", + "right_rin_out = widgets.Output()\n", + "diff_out = widgets.Output()\n", + "status_out = widgets.Output()\n", + "progress = widgets.IntProgress(value=0, min=0, max=100, bar_style='info', layout=widgets.Layout(width='100%', visibility='hidden'))\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# ── Event Handlers ────────────────────────────────────────────\n", + "\n", + "def on_fetch(btn):\n", + " uid = uniprot_input.value.strip().upper()\n", + " if not uid: return\n", + " progress.layout.visibility='visible'; progress.value=10\n", + " with status_out: clear_output(); print(f\"Fetching {uid}...\")\n", + " try:\n", + " info = fetch_uniprot_info(uid); app_state['uniprot_info']=info; progress.value=30\n", + " with protein_info_out:\n", + " clear_output()\n", + " display(HTML(f\"
{info['protein_name']}
Gene: {info['gene_name']} | Length: {info['length']} aa | {info['organism']} | {info['accession']}
\"))\n", + " with status_out: clear_output(); print(\"Fetching PDB structures...\")\n", + " structs = fetch_pdb_structures(uid, uniprot_data=info.get('_raw')); app_state['structures']=structs; progress.value=60\n", + " with status_out: clear_output(); print(\"Checking AlphaFold...\")\n", + " af = check_alphafold(uid); app_state['alphafold']=af; progress.value=80\n", + " opts = []\n", + " if af: opts.append((af['label'],{'entry':af}))\n", + " for s in structs: opts.append((s['label'],{'entry':s}))\n", + " if not opts:\n", + " with status_out: clear_output(); print(\"No structures found.\")\n", + " progress.layout.visibility='hidden'; return\n", + " left_dd.options=opts; right_dd.options=opts\n", + " if af and len(opts)>1: left_dd.value=opts[0][1]; right_dd.value=opts[1][1]\n", + " progress.value=100\n", + " with status_out: clear_output(); print(f\"Found {len(structs)} PDB{' + AlphaFold' if af else ''}. Select structures & Generate.\")\n", + " except Exception as e:\n", + " with status_out: clear_output(); print(f\"Error: {e}\")\n", + " progress.layout.visibility='hidden'\n", + "\n", + "def on_generate(btn):\n", + " progress.layout.visibility='visible'; progress.value=0\n", + " co = cutoff_slider.value\n", + " try:\n", + " if left_dd.options and left_dd.value:\n", + " eL = left_dd.value['entry']\n", + " with status_out: clear_output(); print(f\"Downloading {eL.get('pdb_id','')}...\")\n", + " fp,_ = download_structure(eL); progress.value=20\n", + " with status_out: clear_output(); print(f\"Building RIN ({eL.get('chain_id','')}, {co}A)...\")\n", + " G,info = build_rin(fp, chain_id=eL.get('chain_id'), cutoff=co)\n", + " app_state['G_left']=G; app_state['info_left']=info; progress.value=40\n", + " with left_rin_out: clear_output(); display(HTML(rin_html(G, f\"{eL.get('pdb_id','?')} {eL.get('chain_id','')}\")))\n", + " if right_dd.options and right_dd.value:\n", + " eR = right_dd.value['entry']\n", + " with status_out: clear_output(); print(f\"Downloading {eR.get('pdb_id','')}...\")\n", + " fp,_ = download_structure(eR); progress.value=60\n", + " with status_out: clear_output(); print(f\"Building RIN ({eR.get('chain_id','')}, {co}A)...\")\n", + " G,info = build_rin(fp, chain_id=eR.get('chain_id'), cutoff=co)\n", + " app_state['G_right']=G; app_state['info_right']=info; progress.value=80\n", + " with right_rin_out: clear_output(); display(HTML(rin_html(G, f\"{eR.get('pdb_id','?')} {eR.get('chain_id','')}\")))\n", + " cmp_btn.disabled=False; progress.value=100\n", + " GL,GR = app_state['G_left'],app_state['G_right']\n", + " with status_out: clear_output(); print(f\"RINs ready. L:{GL.number_of_nodes()}/{GL.number_of_edges()}, R:{GR.number_of_nodes()}/{GR.number_of_edges()}. Click Compare.\")\n", + " except Exception as e:\n", + " with status_out: clear_output(); print(f\"Error: {e}\")\n", + " import traceback; traceback.print_exc()\n", + " progress.layout.visibility='hidden'\n", + "\n", + "def on_compare(btn):\n", + " GL,GR = app_state['G_left'],app_state['G_right']\n", + " if GL is None or GR is None: return\n", + " eL = left_dd.value['entry'] if left_dd.value else {}\n", + " eR = right_dd.value['entry'] if right_dd.value else {}\n", + " lL = f\"{eL.get('pdb_id','L')} {eL.get('chain_id','')}\"\n", + " lR = f\"{eR.get('pdb_id','R')} {eR.get('chain_id','')}\"\n", + " with status_out: clear_output(); print(\"Comparing...\")\n", + " try:\n", + " if mode_toggle.value == 'same':\n", + " result = diff_rins(GL, GR); app_state['diff_result']=result\n", + " with diff_out:\n", + " clear_output()\n", + " display(HTML(summary_html(result, lL, lR)))\n", + " display(HTML(\"

Interactive contact map

\"))\n", + " display(HTML(contact_map_html(result, lL, lR)))\n", + " display(HTML(\"
\"))\n", + " display(HTML(aligned_network_html(result, GL, GR, lL, lR)))\n", + " display(HTML(\"
\"))\n", + " display(HTML(force_network_html(result, GL, GR, lL, lR)))\n", + " with status_out: clear_output(); print(f\"Done. Jaccard:{result['jaccard']:.3f} Cons:{len(result['conserved'])} Lost:{len(result['lost'])} Gained:{len(result['gained'])}\")\n", + " else:\n", + " result = align_rins(GL, GR); app_state['diff_result']=result\n", + " with diff_out:\n", + " clear_output()\n", + " display(HTML(f\"

Graph Alignment: {lL} vs {lR}

Jaccard: {result['jaccard']:.3f} | Conserved edges: {len(result['conserved'])}

\"))\n", + " html = \"

Node mapping (top 20)

\"\n", + " for n1,n2,sc in sorted(result['mapping'], key=lambda x:-x[2])[:20]:\n", + " html += f\"\"\n", + " html += \"
RIN 1RIN 2Score
{n1}{n2}{sc:.3f}
\"\n", + " display(HTML(html))\n", + " with status_out: clear_output(); print(f\"Alignment done. Jaccard: {result['jaccard']:.3f}\")\n", + " except Exception as e:\n", + " with status_out: clear_output(); print(f\"Error: {e}\")\n", + " import traceback; traceback.print_exc()\n", + "\n", + "fetch_btn.on_click(on_fetch)\n", + "uniprot_input.on_submit(lambda _: on_fetch(None))\n", + "gen_btn.on_click(on_generate)\n", + "cmp_btn.on_click(on_compare)\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# ── Layout ────────────────────────────────────────────────────\n", + "\n", + "input_row = widgets.HBox([uniprot_input, fetch_btn], layout=widgets.Layout(gap='8px', align_items='center'))\n", + "lp = widgets.VBox([widgets.HTML(\"Left (Model A)\"), left_dd, left_rin_out], layout=widgets.Layout(flex='1',padding='8px',border='1px solid #e0e0e0',border_radius='8px'))\n", + "rp = widgets.VBox([widgets.HTML(\"Right (Model B)\"), right_dd, right_rin_out], layout=widgets.Layout(flex='1',padding='8px',border='1px solid #e0e0e0',border_radius='8px'))\n", + "panels = widgets.HBox([lp, rp], layout=widgets.Layout(gap='12px', margin='10px 0'))\n", + "btns = widgets.HBox([cutoff_slider, gen_btn, cmp_btn], layout=widgets.Layout(gap='10px', align_items='center', margin='8px 0'))\n", + "\n", + "app = widgets.VBox([title_html, mode_toggle, input_row, protein_info_out, panels, btns, progress, status_out, diff_out], layout=widgets.Layout(max_width='900px'))\n", + "display(app)\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.3" + }, + "voila": { + "template": "default" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} diff --git a/notebooks/Scop3P-UniProt_PTM_structure_viz_voila_app.ipynb b/notebooks/Scop3P-UniProt_PTM_structure_viz_voila_app.ipynb new file mode 100644 index 0000000..42b6f06 --- /dev/null +++ b/notebooks/Scop3P-UniProt_PTM_structure_viz_voila_app.ipynb @@ -0,0 +1,2917 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "3a5dd7d4-467d-4aba-9355-04b482638ea7", + "metadata": {}, + "source": [ + "# Scop3P\n", + "\n", + "A comprehensive database of human phosphosites within their full context. Scop3P integrates sequences (UniProtKB/Swiss-Prot), structures (PDB), and uniformly reprocessed phosphoproteomics data (PRIDE) to annotate all known human phosphosites. \n", + "\n", + "Scop3P, available at https://iomics.ugent.be/scop3p, presents a unique resource for visualization and analysis of phosphosites and for understanding of phosphosite structure–function relationships.\n", + "\n", + "Please cite: https://doi.org/10.1021/acs.jproteome.0c00306" + ] + }, + { + "cell_type": "markdown", + "id": "988faf2c-6206-465f-910b-d3bf3fd47296", + "metadata": {}, + "source": [ + "# Scop3P-Structural and biophysical visualization framework\n", + "\n", + "This notebook renders analysis in multiple tabs:\n", + "\n", + "\n", + ">1. Fetch PTMs using Scop3P API and all single-site UniProt PTM features\n", + ">2. Fetch disease variants using UniProt API \n", + ">3. 3D visualization (Mapping PTMs to experimental PDB and AlphaFold structures)\n", + ">4. Predict Biophysical properties using Bio2byte tools and map onto 3D structures (single or multi panel)\n", + ">5. Residue Interaction Network (RIN) constructions and visualization (We move from 3D to 2.5D to get more insights on local residue interactions)\n", + ">6. Structure alignment (Align two structures to see the structural similarity/difference)\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "62a30299-1084-4700-a8ed-64f77b68c0c5", + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/paddy/venvs/ptm/lib/python3.12/site-packages/nglview/__init__.py:12: UserWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html. The pkg_resources package is slated for removal as early as 2025-11-30. Refrain from using this package or pin to Setuptools<81.\n", + " import pkg_resources\n" + ] + } + ], + "source": [ + "import requests, tempfile,json\n", + "import pandas as pd \n", + "from b2bTools import SingleSeq, constants\n", + "import py3Dmol\n", + "import os\n", + "import nglview as nv\n" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "c9d14f98-2059-424f-b794-fb169ce4f634", + "metadata": {}, + "outputs": [], + "source": [ + "import tempfile\n", + "\n", + "state = {\n", + " \"acc\": None,\n", + " \"ptm_results\": None, # keep if you use it\n", + " \"ptm_json\": None, # add from state\n", + " \"ptm_table\": None,\n", + " \"variants\": None,\n", + " \"variants_df\": None, # add from state (or choose one naming)\n", + " \"sequence\": None,\n", + " \"bio2byte_raw\": None,\n", + " \"dynamic_properties\": None,\n", + " \"rin_pdb_path\": None,\n", + " \"af_path\": None,\n", + " \"rin_html\": None,\n", + " \"protein_info\": None,\n", + " \"ptm_source_label\": None,\n", + " \"workdir\": tempfile.mkdtemp(prefix=\"scop3p_session_\")\n", + "}\n" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "id": "87d604d4-ba1a-4acb-94b7-0481abe40fac", + "metadata": {}, + "outputs": [], + "source": [ + "def fetch_protein_modifications(accession):\n", + " \"\"\"\n", + " Fetch protein modifications from Scop3P for a given UniProt accession.\n", + "\n", + " Scop3P currently mainly covers human phosphoproteins. For non-human proteins,\n", + " or proteins not present in Scop3P, this function can return None/empty data.\n", + " \"\"\"\n", + " BASE_URL = \"https://iomics.ugent.be/scop3p/api/modifications\"\n", + " url = f\"{BASE_URL}?accession={accession}\"\n", + " headers = {\"accept\": \"application/json\"}\n", + " response = requests.get(url, headers=headers, timeout=60)\n", + " if response.status_code == 200:\n", + " return response.json()\n", + " return None\n", + "\n", + "\n", + "_AA1_TO_AA3 = {\n", + " \"A\": \"ALA\", \"R\": \"ARG\", \"N\": \"ASN\", \"D\": \"ASP\", \"C\": \"CYS\",\n", + " \"Q\": \"GLN\", \"E\": \"GLU\", \"G\": \"GLY\", \"H\": \"HIS\", \"I\": \"ILE\",\n", + " \"L\": \"LEU\", \"K\": \"LYS\", \"M\": \"MET\", \"F\": \"PHE\", \"P\": \"PRO\",\n", + " \"S\": \"SER\", \"T\": \"THR\", \"W\": \"TRP\", \"Y\": \"TYR\", \"V\": \"VAL\",\n", + " \"U\": \"SEC\", \"O\": \"PYL\",\n", + "}\n", + "\n", + "\n", + "def _residue_from_uniprot_feature(sequence, position, description=\"\"):\n", + " \"\"\"Return a three-letter residue code for a UniProt PTM feature.\"\"\"\n", + " desc = (description or \"\").lower()\n", + "\n", + " # Prefer explicit residue names in the UniProt PTM description.\n", + " if \"phosphoserine\" in desc:\n", + " return \"SER\"\n", + " if \"phosphothreonine\" in desc:\n", + " return \"THR\"\n", + " if \"phosphotyrosine\" in desc:\n", + " return \"TYR\"\n", + "\n", + " # Otherwise infer from the sequence position when available.\n", + " try:\n", + " pos = int(position)\n", + " if sequence and 1 <= pos <= len(sequence):\n", + " return _AA1_TO_AA3.get(sequence[pos - 1].upper(), sequence[pos - 1].upper())\n", + " except Exception:\n", + " pass\n", + "\n", + " return \"\"\n", + "\n", + "\n", + "def _format_uniprot_evidence(evidences):\n", + " \"\"\"Condense UniProt feature evidence into evidence codes and literature references.\"\"\"\n", + " codes, refs = [], []\n", + " for ev in evidences or []:\n", + " code = ev.get(\"code\")\n", + " if code:\n", + " codes.append(code)\n", + " src = ev.get(\"source\") or {}\n", + " name = src.get(\"name\")\n", + " sid = src.get(\"id\")\n", + " if name and sid:\n", + " refs.append(f\"{name}:{sid}\")\n", + " elif sid:\n", + " refs.append(str(sid))\n", + "\n", + " return \"; \".join(dict.fromkeys(codes)), \"; \".join(dict.fromkeys(refs))\n", + "\n", + "\n", + "def fetch_uniprot_ptms(accession: str) -> pd.DataFrame:\n", + " \"\"\"\n", + " Fetch all single-site PTM features from the EBI/UniProt Proteins API.\n", + "\n", + " This uses categories=PTM without restricting feature types, so it can include\n", + " phosphorylation, acetylation, methylation, glycosylation, lipidation and other\n", + " UniProt PTM annotations when present. Only single-residue features are retained,\n", + " meaning begin == end, because the rest of the app maps PTMs to residue positions.\n", + " The UniProt description is trimmed at the first semicolon, for example\n", + " \"Phosphotyrosine; by autocatalysis\" becomes \"Phosphotyrosine\".\n", + " \"\"\"\n", + " url = f\"https://www.ebi.ac.uk/proteins/api/features/{accession}\"\n", + " params = [(\"categories\", \"PTM\")]\n", + " headers = {\"Accept\": \"application/json\"}\n", + " r = requests.get(url, headers=headers, params=params, timeout=60)\n", + " r.raise_for_status()\n", + " data = r.json()\n", + "\n", + " sequence = data.get(\"sequence\", \"\") or \"\"\n", + " rows = []\n", + " for feat in data.get(\"features\", []) or []:\n", + " if feat.get(\"category\") != \"PTM\":\n", + " continue\n", + "\n", + " begin = feat.get(\"begin\")\n", + " end = feat.get(\"end\")\n", + " if begin is None or end is None or str(begin) != str(end):\n", + " continue\n", + "\n", + " try:\n", + " position = int(begin)\n", + " except Exception:\n", + " continue\n", + "\n", + " full_desc = feat.get(\"description\") or feat.get(\"type\") or \"PTM\"\n", + " clean_name = str(full_desc).split(\";\", 1)[0].strip()\n", + " evidence, reference = _format_uniprot_evidence(feat.get(\"evidences\"))\n", + "\n", + " rows.append({\n", + " \"ACC_ID\": accession,\n", + " \"residue\": _residue_from_uniprot_feature(sequence, position, clean_name),\n", + " \"name\": clean_name,\n", + " \"evidence\": evidence,\n", + " \"position\": position,\n", + " \"source\": \"UniProt\",\n", + " \"reference\": reference,\n", + " \"functionalScore\": pd.NA,\n", + " \"specificSinglyPhosphorylated\": pd.NA,\n", + " \"feature_type\": feat.get(\"type\"),\n", + " })\n", + "\n", + " cols = [\n", + " \"ACC_ID\", \"residue\", \"name\", \"evidence\", \"position\", \"source\",\n", + " \"reference\", \"functionalScore\", \"specificSinglyPhosphorylated\", \"feature_type\",\n", + " ]\n", + " return pd.DataFrame(rows, columns=cols)\n", + "\n", + "\n", + "\n", + "# ----------------------------\n", + "# UniProt protein summary helpers for Tab 1\n", + "# ----------------------------\n", + "def _safe_html(value):\n", + " \"\"\"Small HTML escaping helper without requiring an extra import in the notebook.\"\"\"\n", + " if value is None:\n", + " return \"\"\n", + " return (str(value)\n", + " .replace(\"&\", \"&\")\n", + " .replace(\"<\", \"<\")\n", + " .replace(\">\", \">\")\n", + " .replace('\"', \""\"))\n", + "\n", + "\n", + "def _get_uniprot_recommended_name(data):\n", + " pdsc = data.get(\"proteinDescription\") or {}\n", + " rec = pdsc.get(\"recommendedName\") or {}\n", + " full = rec.get(\"fullName\") or {}\n", + " if full.get(\"value\"):\n", + " return full.get(\"value\")\n", + "\n", + " sub = pdsc.get(\"submissionNames\") or []\n", + " if sub:\n", + " full = (sub[0] or {}).get(\"fullName\") or {}\n", + " if full.get(\"value\"):\n", + " return full.get(\"value\")\n", + " return data.get(\"uniProtkbId\") or data.get(\"primaryAccession\") or \"\"\n", + "\n", + "\n", + "def _get_uniprot_gene_names(data):\n", + " genes = []\n", + " for g in data.get(\"genes\", []) or []:\n", + " gn = (g.get(\"geneName\") or {}).get(\"value\")\n", + " if gn:\n", + " genes.append(gn)\n", + " return \", \".join(dict.fromkeys(genes))\n", + "\n", + "\n", + "def _extract_comment_text(comment):\n", + " texts = []\n", + " for t in comment.get(\"texts\", []) or []:\n", + " val = t.get(\"value\")\n", + " if val:\n", + " texts.append(val)\n", + " return \" \".join(texts).strip()\n", + "\n", + "\n", + "def _get_subcellular_locations(data):\n", + " vals = []\n", + " for c in data.get(\"comments\", []) or []:\n", + " if c.get(\"commentType\") != \"SUBCELLULAR LOCATION\":\n", + " continue\n", + " for loc in c.get(\"subcellularLocations\", []) or []:\n", + " location = ((loc.get(\"location\") or {}).get(\"value\") or \"\").strip()\n", + " topology = ((loc.get(\"topology\") or {}).get(\"value\") or \"\").strip()\n", + " orientation = ((loc.get(\"orientation\") or {}).get(\"value\") or \"\").strip()\n", + " parts = [p for p in [location, topology, orientation] if p]\n", + " if parts:\n", + " vals.append(\"; \".join(parts))\n", + " txt = _extract_comment_text(c)\n", + " if txt:\n", + " vals.append(txt)\n", + " return \"; \".join(dict.fromkeys(vals))\n", + "\n", + "\n", + "def _get_function_annotation(data, max_chars=260):\n", + " for c in data.get(\"comments\", []) or []:\n", + " if c.get(\"commentType\") == \"FUNCTION\":\n", + " txt = _extract_comment_text(c)\n", + " if txt:\n", + " return txt[:max_chars].rstrip() + (\"...\" if len(txt) > max_chars else \"\")\n", + " return \"\"\n", + "\n", + "\n", + "def fetch_uniprot_protein_info(accession: str) -> dict:\n", + " \"\"\"Fetch compact UniProtKB protein metadata for the Tab 1 information card.\"\"\"\n", + " url = f\"https://rest.uniprot.org/uniprotkb/{accession}.json\"\n", + " r = requests.get(url, timeout=60)\n", + " r.raise_for_status()\n", + " data = r.json()\n", + "\n", + " organism = ((data.get(\"organism\") or {}).get(\"scientificName\") or \"\")\n", + " seq = data.get(\"sequence\") or {}\n", + " keywords = [k.get(\"name\") for k in data.get(\"keywords\", []) or [] if k.get(\"name\")]\n", + "\n", + " return {\n", + " \"accession\": data.get(\"primaryAccession\") or accession,\n", + " \"entry_name\": data.get(\"uniProtkbId\") or \"\",\n", + " \"protein_name\": _get_uniprot_recommended_name(data),\n", + " \"gene\": _get_uniprot_gene_names(data),\n", + " \"organism\": organism,\n", + " \"length\": seq.get(\"length\") or len(seq.get(\"value\", \"\") or \"\"),\n", + " # UniProt REST commonly returns values such as\n", + " # \"UniProtKB reviewed (Swiss-Prot)\" or \"UniProtKB unreviewed (TrEMBL)\".\n", + " # Check for reviewed while explicitly excluding unreviewed.\n", + " \"reviewed\": (\"reviewed\" in str(data.get(\"entryType\", \"\")).lower()\n", + " and \"unreviewed\" not in str(data.get(\"entryType\", \"\")).lower()),\n", + " \"subcellular_location\": _get_subcellular_locations(data),\n", + " \"function\": _get_function_annotation(data),\n", + " \"keywords\": \", \".join(keywords[:8]),\n", + " }\n", + "\n", + "\n", + "def render_protein_info_html(info: dict, ptm_label: str = \"\") -> str:\n", + " \"\"\"Render a compact protein information card for Voila.\"\"\"\n", + " if not info:\n", + " return \"
Protein information will appear after setting/fetching a UniProt accession.
\"\n", + "\n", + " reviewed = \"Reviewed\" if info.get(\"reviewed\") else \"Unreviewed\"\n", + " subcell = info.get(\"subcellular_location\") or \"Not annotated in UniProt\"\n", + " function = info.get(\"function\") or \"Not shown\"\n", + " keywords = info.get(\"keywords\") or \"\"\n", + " ptm_line = f\"
PTM source: {_safe_html(ptm_label)}
\" if ptm_label else \"\"\n", + "\n", + " return f\"\"\"\n", + "
\n", + "
{_safe_html(info.get('protein_name'))}
\n", + "
\n", + "
Accession: {_safe_html(info.get('accession'))} {_safe_html(info.get('entry_name'))}
\n", + "
Gene: {_safe_html(info.get('gene') or 'N/A')}
\n", + "
Organism: {_safe_html(info.get('organism') or 'N/A')}
\n", + "
Length: {_safe_html(info.get('length') or 'N/A')} aa | {_safe_html(reviewed)}
\n", + " {ptm_line}\n", + "
Keywords: {_safe_html(keywords or 'N/A')}
\n", + "
\n", + "
Subcellular location: {_safe_html(subcell)}
\n", + "
Function: {_safe_html(function)}
\n", + "
\n", + " \"\"\"\n" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "51c73c52-5955-45d9-9d9d-fa3fe6069bfb", + "metadata": {}, + "outputs": [], + "source": [ + "import re\n", + "def get_modification_table(modifications, accession=None, source=\"Scop3P\"):\n", + " \"\"\"\n", + " Convert Scop3P modification records into the PTM table schema used by the app.\n", + " \"\"\"\n", + " base_cols = [\n", + " \"ACC_ID\", \"residue\", \"name\", \"evidence\", \"position\", \"source\",\n", + " \"reference\", \"functionalScore\", \"specificSinglyPhosphorylated\", \"feature_type\",\n", + " ]\n", + "\n", + " if not modifications:\n", + " return pd.DataFrame(columns=base_cols)\n", + "\n", + " df = pd.DataFrame(modifications)\n", + "\n", + " # Keep legacy Scop3P columns, but make the function robust if any field is absent.\n", + " for col in [\"residue\", \"name\", \"evidence\", \"position\", \"source\", \"reference\", \"functionalScore\", \"specificSinglyPhosphorylated\"]:\n", + " if col not in df.columns:\n", + " df[col] = pd.NA\n", + "\n", + " if \"ACC_ID\" not in df.columns:\n", + " df[\"ACC_ID\"] = accession\n", + " if \"feature_type\" not in df.columns:\n", + " df[\"feature_type\"] = \"Scop3P\"\n", + "\n", + " # Do not overwrite a meaningful Scop3P source, but fill blanks.\n", + " df[\"source\"] = df[\"source\"].fillna(source)\n", + " df.loc[df[\"source\"].astype(str).str.strip().eq(\"\"), \"source\"] = source\n", + "\n", + " return df[base_cols]\n", + "\n", + "\n", + "\n", + "\n", + "def _join_unique_values(*values, sep=\"; \"):\n", + " \"\"\"Join non-empty scalar/list values while preserving first-seen order.\"\"\"\n", + " seen, out = set(), []\n", + " for value in values:\n", + " if value is None or (hasattr(pd, \"isna\") and not isinstance(value, (list, tuple, set)) and pd.isna(value)):\n", + " continue\n", + " if isinstance(value, (list, tuple, set)):\n", + " parts = value\n", + " else:\n", + " # Preserve comma-separated Scop3P PubMed style and semicolon-separated UniProt style.\n", + " parts = re.split(r\"\\s*[;,]\\s*\", str(value))\n", + " for part in parts:\n", + " part = str(part).strip()\n", + " if not part or part.lower() in {\"nan\", \"\", \"none\"}:\n", + " continue\n", + " if part not in seen:\n", + " seen.add(part)\n", + " out.append(part)\n", + " return sep.join(out)\n", + "\n", + "\n", + "def merge_scop3p_uniprot_ptms(scop3p_tbl, uniprot_tbl):\n", + " \"\"\"\n", + " Merge Scop3P and UniProt PTMs without duplicating the same residue-position site.\n", + "\n", + " If a site exists in both sources, the displayed row follows Scop3P terminology\n", + " and Scop3P source fields (for example: name='phosphorylation', evidence='Experimental',\n", + " source='UP', feature_type='Scop3P'). UniProt references/evidence are folded into\n", + " the Scop3P row where useful. UniProt-only PTMs are retained as UniProt rows.\n", + " \"\"\"\n", + " base_cols = [\n", + " \"ACC_ID\", \"residue\", \"name\", \"evidence\", \"position\", \"source\",\n", + " \"reference\", \"functionalScore\", \"specificSinglyPhosphorylated\", \"feature_type\",\n", + " ]\n", + "\n", + " scop3p_tbl = scop3p_tbl.copy() if scop3p_tbl is not None else pd.DataFrame(columns=base_cols)\n", + " uniprot_tbl = uniprot_tbl.copy() if uniprot_tbl is not None else pd.DataFrame(columns=base_cols)\n", + "\n", + " for df in (scop3p_tbl, uniprot_tbl):\n", + " for col in base_cols:\n", + " if col not in df.columns:\n", + " df[col] = pd.NA\n", + " if not df.empty:\n", + " df[\"position\"] = pd.to_numeric(df[\"position\"], errors=\"coerce\").astype(\"Int64\")\n", + " df[\"ACC_ID\"] = df[\"ACC_ID\"].astype(str).str.strip()\n", + " df[\"residue\"] = df[\"residue\"].astype(str).str.strip().str.upper()\n", + "\n", + " if scop3p_tbl.empty:\n", + " out = uniprot_tbl[base_cols].copy()\n", + " return out.sort_values([\"position\", \"source\", \"name\"], na_position=\"last\").reset_index(drop=True)\n", + " if uniprot_tbl.empty:\n", + " out = scop3p_tbl[base_cols].copy()\n", + " return out.sort_values([\"position\", \"source\", \"name\"], na_position=\"last\").reset_index(drop=True)\n", + "\n", + " # Use accession + residue + position as the biological site identity.\n", + " key_cols = [\"ACC_ID\", \"residue\", \"position\"]\n", + " scop3p_tbl[\"_site_key\"] = list(map(tuple, scop3p_tbl[key_cols].astype(str).values))\n", + " uniprot_tbl[\"_site_key\"] = list(map(tuple, uniprot_tbl[key_cols].astype(str).values))\n", + "\n", + " scop3p_by_key = {k: idx for idx, k in enumerate(scop3p_tbl[\"_site_key\"].tolist())}\n", + " merged_rows = scop3p_tbl.copy()\n", + "\n", + " # Fold UniProt evidence/reference into matching Scop3P rows, but keep Scop3P naming/source style.\n", + " for _, urow in uniprot_tbl.iterrows():\n", + " key = urow[\"_site_key\"]\n", + " if key not in scop3p_by_key:\n", + " continue\n", + " idx = scop3p_by_key[key]\n", + " sref = merged_rows.at[idx, \"reference\"]\n", + " uref = urow.get(\"reference\", pd.NA)\n", + " merged_rows.at[idx, \"reference\"] = _join_unique_values(sref, uref, sep=\",\")\n", + "\n", + " # Keep the compact Scop3P evidence label when present; otherwise borrow UniProt evidence.\n", + " sev = merged_rows.at[idx, \"evidence\"]\n", + " if pd.isna(sev) or str(sev).strip() == \"\":\n", + " merged_rows.at[idx, \"evidence\"] = urow.get(\"evidence\", pd.NA)\n", + "\n", + " uniprot_only = uniprot_tbl[~uniprot_tbl[\"_site_key\"].isin(set(scop3p_by_key.keys()))].copy()\n", + " out = pd.concat([merged_rows, uniprot_only], ignore_index=True)\n", + " out = out.drop(columns=[c for c in [\"_site_key\"] if c in out.columns])\n", + " out = out[base_cols]\n", + " out = out.drop_duplicates(subset=key_cols + [\"name\", \"source\", \"feature_type\"], keep=\"first\")\n", + " return out.sort_values([\"position\", \"source\", \"name\"], na_position=\"last\").reset_index(drop=True)\n" + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "id": "353ffcec-1839-4083-8bca-16cc9370b723", + "metadata": {}, + "outputs": [], + "source": [ + "import requests\n", + "import pandas as pd\n", + "\n", + "def fetch_uniprot_variants_disease(accession: str) -> pd.DataFrame:\n", + " \"\"\"Fetch UniProt (EBI proteins API) variants with disease association for a UniProt accession.\"\"\"\n", + " url = f\"https://www.ebi.ac.uk/proteins/api/variation/{accession}\"\n", + " headers = {\"Accept\": \"application/json\"}\n", + " r = requests.get(url, headers=headers, timeout=60)\n", + " r.raise_for_status()\n", + " data = r.json()\n", + "\n", + " rows = []\n", + " for feat in data.get(\"features\", []):\n", + " if feat.get(\"type\") != \"VARIANT\":\n", + " continue\n", + " for assoc in feat.get(\"association\", []):\n", + " if assoc.get(\"disease\") is not True:\n", + " continue\n", + " begin = feat.get(\"begin\")\n", + " try:\n", + " pos = int(begin) if begin is not None else None\n", + " except Exception:\n", + " pos = None\n", + " rows.append({\n", + " \"ACC_ID\": accession,\n", + " \"position\": pos,\n", + " \"WT\": feat.get(\"wildType\"),\n", + " \"MT\": feat.get(\"mutatedType\"),\n", + " \"consequence\": feat.get(\"consequenceType\"),\n", + " \"disease_name\": assoc.get(\"name\"),\n", + " })\n", + "\n", + " return pd.DataFrame(rows)\n" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "id": "157e10c3", + "metadata": {}, + "outputs": [], + "source": [ + "import py3Dmol\n", + "\n", + "def display_local_pdb_3D(modification_table, accession):\n", + " view = py3Dmol.view(width=700, height=500)\n", + " view.addModel(open(accession + '.pdb', 'r').read(), 'pdb')\n", + "\n", + " view.setStyle({}, {'cartoon': {'color': 'silver'}})\n", + " view.addSurface(py3Dmol.VDW, {'opacity': 0.35, 'color': 'white'}, {})\n", + "\n", + " # --- Color phosphosites \n", + " for _, row in modification_table.iterrows():\n", + " position = str(row['position'])\n", + "\n", + " # Normalize residue label to avoid mismatches\n", + " residue = str(row['residue']).strip() # removes trailing spaces etc.\n", + "\n", + " if residue == 'TYR':\n", + " color = '#2CA02C'\n", + " elif residue == 'SER':\n", + " color = '#1F77B4'\n", + " elif residue == 'THR':\n", + " color = '#FF7F0E'\n", + " else:\n", + " color = '#7B241C'\n", + "\n", + " sel = {'resi': position} # add {'chain': row['chain']} if needed\n", + "\n", + " view.addStyle(sel, {'stick': {'color': color}})\n", + " view.addStyle(sel, {'sphere': {'color': color, 'radius': 0.9}})\n", + "\n", + " # --- Hover for ALL amino acids (all atoms) ---\n", + " view.setHoverable(\n", + " {}, True,\n", + " \"\"\"\n", + " function(atom, viewer, event, container) {\n", + " if(!atom.label) {\n", + " atom.label = viewer.addLabel(\n", + " atom.resn + \" \" + atom.resi + (atom.chain ? (\" : \" + atom.chain) : \"\"),\n", + " {position: atom, backgroundColor: 'mintcream', fontColor: 'black'}\n", + " );\n", + " }\n", + " }\n", + " \"\"\",\n", + " \"\"\"\n", + " function(atom, viewer) {\n", + " if(atom.label) {\n", + " viewer.removeLabel(atom.label);\n", + " delete atom.label;\n", + " }\n", + " }\n", + " \"\"\"\n", + " )\n", + "\n", + " view.zoomTo()\n", + " view.render()\n", + " return view\n" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "id": "e15fc47d", + "metadata": {}, + "outputs": [], + "source": [ + "def display_ptm_3D(modification_table, pdb_id, chain=None):\n", + " view = py3Dmol.view(query=f\"pdb:{pdb_id}\")\n", + "\n", + " # Protein context\n", + " view.setStyle({}, {'cartoon': {'color': 'skyblue'}})\n", + "\n", + " # Global surface (NO hover expected here)\n", + " view.addSurface(py3Dmol.VDW, {'opacity': 0.6, 'color': 'white'}, {})\n", + "\n", + " # ---- Colored modified residues (ATOMS) ----\n", + " for _, row in modification_table.iterrows():\n", + " position = str(row['position'])\n", + " residue = str(row['residue']).strip()\n", + "\n", + " if residue == 'TYR':\n", + " color = '#2CA02C'\n", + " elif residue == 'SER':\n", + " color = '#1F77B4'\n", + " elif residue == 'THR':\n", + " color = '#FF7F0E'\n", + " else:\n", + " color = '#7B241C'\n", + "\n", + " sel = {'resi': position}\n", + " if chain:\n", + " sel['chain'] = chain\n", + "\n", + " # ATOMS → hover works\n", + " view.addStyle(sel, {'stick': {'color': color}})\n", + " view.addStyle(sel, {'sphere': {'color': color, 'radius': 0.9}})\n", + "\n", + " # ---- Hover for ALL amino acids ----\n", + " view.setHoverable(\n", + " {}, True,\n", + " \"\"\"\n", + " function(atom, viewer, event, container) {\n", + " if (!atom.label) {\n", + " atom.label = viewer.addLabel(\n", + " atom.resn + \" \" + atom.resi + (atom.chain ? (\" : \" + atom.chain) : \"\"),\n", + " {position: atom, backgroundColor: 'mintcream', fontColor: 'black'}\n", + " );\n", + " }\n", + " }\n", + " \"\"\",\n", + " \"\"\"\n", + " function(atom, viewer) {\n", + " if (atom.label) {\n", + " viewer.removeLabel(atom.label);\n", + " delete atom.label;\n", + " }\n", + " }\n", + " \"\"\"\n", + " )\n", + "\n", + " view.zoomTo()\n", + " view.render()\n", + " return view\n" + ] + }, + { + "cell_type": "code", + "execution_count": 11, + "id": "674c34e7-e508-41be-a2ac-671dc8f47c49", + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "import requests\n", + "\n", + "def download_alphafold_pdb(uniprot_acc: str, outdir: str) -> str:\n", + " \"\"\"\n", + " Downloads AlphaFold DB PDB for a UniProt accession.\n", + " Returns local file path.\n", + " \"\"\"\n", + " os.makedirs(outdir, exist_ok=True)\n", + " # AFDB file naming convention\n", + " url = f\"https://alphafold.ebi.ac.uk/files/AF-{uniprot_acc}-F1-model_v6.pdb\"\n", + " out_path = os.path.join(outdir, f\"AF-{uniprot_acc}-F1-model_v6.pdb\")\n", + "\n", + " r = requests.get(url, timeout=60)\n", + " r.raise_for_status()\n", + " with open(out_path, \"wb\") as f:\n", + " f.write(r.content)\n", + "\n", + " return out_path\n" + ] + }, + { + "cell_type": "code", + "execution_count": 12, + "id": "054287d5", + "metadata": {}, + "outputs": [], + "source": [ + "def fetch_sequence_aminoacids(accession):\n", + " BASE_URL = f\"http://uniprot.org/uniprotkb/{accession}.fasta\"\n", + " url = f'{BASE_URL}?accession={accession}'\n", + " response = requests.get(url)\n", + " if response.status_code == 200:\n", + " raw_fasta_sequence = response.content.decode(\"utf-8\")\n", + " else:\n", + " raw_fasta_sequence = \"\"\n", + " \n", + " lines = raw_fasta_sequence.split('\\n')\n", + " protein_id = str(lines[0])\n", + " amino_acids = \"\".join([str(l) for l in lines[1:]])\n", + " \n", + " return protein_id, amino_acids" + ] + }, + { + "cell_type": "code", + "execution_count": 13, + "id": "a1beaf87", + "metadata": {}, + "outputs": [], + "source": [ + "def predict_biophysical_features(accession, sequence):\n", + "\n", + " with tempfile.NamedTemporaryFile(prefix=\"seq_\", suffix=\".fasta\", mode=\"w\") as fp:\n", + " fp.write(f\">{accession}\\n{sequence}\\n\")\n", + " fp.flush()\n", + " fp.seek(0)\n", + " \n", + " pred = SingleSeq(fp.name).predict(tools=[constants.TOOL_DYNAMINE, constants.TOOL_DISOMINE, constants.TOOL_EFOLDMINE]).get_all_predictions()\n", + " \n", + " return pred\n" + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "id": "1e066d76", + "metadata": {}, + "outputs": [], + "source": [ + "import colorsys\n", + "\n", + "\n", + "def pseudocolor(minval, maxval,val):\n", + " \"\"\" Convert predicted values min.....max in range Green...Yellow..RED \n", + " The colors correspond to Red and Green in the HSV colorspace\n", + " \"\"\"\n", + " minval,maxval=float(minval),float(maxval)\n", + " h = (float(maxval-val) / (maxval-minval)) * 120\n", + " r, g, b = colorsys.hsv_to_rgb(h/360, 1., 1.)\n", + " rgb=map(lambda x: int(255 * x), (r, g, b))\n", + " rgb=tuple(rgb)\n", + " rgb='0x%02x%02x%02x' % rgb\n", + " return rgb" + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "id": "53203ebf", + "metadata": {}, + "outputs": [], + "source": [ + "def remap(df):\n", + " BDcolor,EFcolor,DOcolor={},{},{}\n", + " seqpos=0\n", + " min_BD,max_BD=min(df.backbone),max(df.backbone)\n", + " min_DO,max_DO=min(df.disoMine),max(df.disoMine)\n", + " min_EF,max_EF=min(df.earlyFolding),max(df.earlyFolding)\n", + " \n", + " for index, row in df.iterrows():\n", + " seqpos+=1\n", + " BDrescol=pseudocolor(min_BD,max_BD,float(row.backbone))\n", + " DOrescol=pseudocolor(min_EF,max_EF,float(row.disoMine))\n", + " EFrescol=pseudocolor(min_EF,max_EF,float(row.earlyFolding))\n", + " BDcolor[seqpos]=BDrescol\n", + " DOcolor[seqpos]=DOrescol\n", + " EFcolor[seqpos]=EFrescol\n", + " \n", + " return BDcolor,EFcolor,DOcolor\n", + " \n", + " " + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "id": "650fb2a9", + "metadata": {}, + "outputs": [], + "source": [ + "def display_b2b_3D(dynamic_properties, pdb_path: str):\n", + " BDcolor, EFcolor, DOcolor = remap(dynamic_properties)\n", + " modpos = modification_table.position.tolist()\n", + "\n", + " view = py3Dmol.view(viewergrid=(2,2))\n", + " with open(pdb_path, \"r\") as f:\n", + " view.addModel(f.read(), \"pdb\")\n", + "\n", + " # IMPORTANT: setStyle(selection, style)\n", + " view.setStyle({}, {'cartoon': {'colorscheme': {'prop':'b','gradient':'rwb','min':0.0,'max':100.0}}}, viewer=(0,0))\n", + " view.setStyle({}, {'cartoon': {'colorscheme': {'prop':'resi','map':BDcolor}}}, viewer=(0,1))\n", + " view.setStyle({}, {'cartoon': {'colorscheme': {'prop':'resi','map':DOcolor}}}, viewer=(1,0))\n", + " view.setStyle({}, {'cartoon': {'colorscheme': {'prop':'resi','map':EFcolor}}}, viewer=(1,1))\n", + "\n", + " # Surface highlight + pickable overlay on mod residues\n", + " for mod in modpos:\n", + " m = str(mod)\n", + " sel = {'resi': m}\n", + "\n", + " view.addSurface(py3Dmol.VDW, {'opacity': 1.0}, sel, viewer=(0,0))\n", + " view.addSurface(py3Dmol.VDW, {'opacity': 1.0, 'color': BDcolor[mod]}, sel, viewer=(0,1))\n", + " view.addSurface(py3Dmol.VDW, {'opacity': 1.0, 'color': DOcolor[mod]}, sel, viewer=(1,0))\n", + " view.addSurface(py3Dmol.VDW, {'opacity': 1.0, 'color': EFcolor[mod]}, sel, viewer=(1,1))\n", + "\n", + " # MAKE IT PICKABLE: opacity must be > 0\n", + " for panel in [(0,0), (0,1), (1,0), (1,1)]:\n", + " view.addStyle(sel, {'sphere': {'radius': 0.8, 'opacity': 0.15}}, viewer=panel)\n", + " # optional: stick helps pickability even more\n", + " # view.addStyle(sel, {'stick': {'opacity': 0.15}}, viewer=panel)\n", + "\n", + " # Background + hover everywhere (per panel)\n", + " for panel in [(0,0), (0,1), (1,0), (1,1)]:\n", + " view.setBackgroundColor('white', viewer=panel)\n", + "\n", + " view.setHoverable(\n", + " {}, # hover everywhere\n", + " True,\n", + " \"\"\"\n", + " function(atom, viewer, event, container) {\n", + " if (!atom.label) {\n", + " atom.label = viewer.addLabel(\n", + " atom.resn + \" \" + atom.resi + (atom.chain ? (\" : \" + atom.chain) : \"\"),\n", + " {position: atom, backgroundColor: 'mintcream', fontColor:'black'}\n", + " );\n", + " }\n", + " }\n", + " \"\"\",\n", + " \"\"\"\n", + " function(atom, viewer) {\n", + " if (atom.label) {\n", + " viewer.removeLabel(atom.label);\n", + " delete atom.label;\n", + " }\n", + " }\n", + " \"\"\",\n", + " viewer=panel\n", + " )\n", + "\n", + " view.zoomTo()\n", + " view.render()\n", + " return view\n" + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "id": "3886bc0c-1630-4bde-9b62-2125f3f81314", + "metadata": {}, + "outputs": [], + "source": [ + "import numpy as np\n", + "import networkx as nx\n", + "from scipy.spatial import KDTree\n", + "from Bio.PDB import PDBParser\n", + "\n", + "def build_geometry_graph_from_pdb(pdb_path, chain=\"A\", cutoff=8.0, atom_name=\"CA\"):\n", + " \"\"\"\n", + " Build a residue interaction network from a PDB file using CA (or CB fallback) distances.\n", + " Nodes: residue positions (ints)\n", + " Edges: if distance <= cutoff, with attributes distance, weight=1/distance, resistance=distance\n", + " \"\"\"\n", + " parser = PDBParser(QUIET=True)\n", + " structure = parser.get_structure(\"af\", pdb_path)\n", + "\n", + " # Use first model\n", + " model = next(structure.get_models())\n", + "\n", + " # Pick chain (AlphaFold is usually 'A')\n", + " if chain not in model:\n", + " chain_obj = next(model.get_chains())\n", + " chain = chain_obj.id # fallback\n", + " else:\n", + " chain_obj = model[chain]\n", + "\n", + "\n", + " coords = []\n", + " meta = []\n", + "\n", + " for res in chain_obj:\n", + " # standard residues only\n", + " if res.id[0] != \" \":\n", + " continue\n", + "\n", + " resi = int(res.id[1])\n", + " resn = res.resname\n", + "\n", + " # choose atom\n", + " atom = None\n", + " if atom_name in res:\n", + " atom = res[atom_name]\n", + " elif atom_name == \"CB\" and \"CA\" in res:\n", + " atom = res[\"CA\"]\n", + " elif atom_name == \"CA\":\n", + " # CA required; skip if missing\n", + " continue\n", + " else:\n", + " # fallback to CA if present\n", + " atom = res[\"CA\"] if \"CA\" in res else None\n", + "\n", + " if atom is None:\n", + " continue\n", + "\n", + " coords.append(atom.coord.astype(float))\n", + " meta.append({\"Chain\": chain, \"Residue\": resi, \"ResName\": resn})\n", + "\n", + " coords = np.asarray(coords, dtype=float)\n", + " if len(coords) == 0:\n", + " raise ValueError(\"No residue coordinates found. Check chain/atom_name.\")\n", + "\n", + " nodes = [(m[\"Chain\"], int(m[\"Residue\"])) for m in meta]\n", + " tree = KDTree(coords)\n", + "\n", + " G = nx.Graph(layer=f\"geometry:{atom_name}_cut{cutoff}\", chain=chain, pdb=pdb_path)\n", + "\n", + " for n, m in zip(nodes, meta):\n", + " G.add_node(n, **m)\n", + "\n", + " for i in range(len(nodes)):\n", + " idxs = tree.query_ball_point(coords[i], cutoff)\n", + " for j in idxs:\n", + " if j <= i:\n", + " continue\n", + " d = float(np.linalg.norm(coords[i] - coords[j]))\n", + " w = 1.0 / max(d, 1e-6)\n", + " G.add_edge(nodes[i], nodes[j], weight=w, distance=d, resistance=1.0 / max(w, 1e-9))\n", + "\n", + " return G, meta\n" + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "id": "67836388-e788-45d1-8581-88491e542560", + "metadata": {}, + "outputs": [], + "source": [ + "from pyvis.network import Network\n", + "\n", + "def nx_rin_to_pyvis_default(\n", + " G,\n", + " ptm_positions=None,\n", + " mutation_positions=None,\n", + " out_html=\"rin_pyvis.html\",\n", + " height=\"600px\",\n", + " width=\"100%\",\n", + " default_color=\"#B0B0B0\", # light grey\n", + " ptm_color=\"#1f77b4\", # blue\n", + " mut_color=\"#d62728\", # red\n", + " both_color=\"#9467bd\", # purple\n", + " node_size=30,\n", + " ptm_size=35,\n", + " mut_size=35,\n", + " both_size=40,\n", + " select_menu=True,\n", + " filter_menu=False\n", + "):\n", + " ptm_set = set(int(x) for x in (ptm_positions or []))\n", + " mut_set = set(int(x) for x in (mutation_positions or []))\n", + "\n", + " net = Network(\n", + " height=height,\n", + " width=width,\n", + " directed=False,\n", + " notebook=True,\n", + " cdn_resources=\"in_line\",\n", + " select_menu=select_menu,\n", + " filter_menu=filter_menu\n", + " )\n", + "\n", + " net.set_options(\"\"\"\n", + " {\n", + " \"groups\": {\n", + " \"PTM\": {\n", + " \"color\": {\n", + " \"background\": \"#d62728\",\n", + " \"border\": \"#d62728\",\n", + " \"highlight\": { \"background\": \"#d62728\", \"border\": \"#d62728\" },\n", + " \"hover\": { \"background\": \"#d62728\", \"border\": \"#d62728\" }\n", + " }\n", + " },\n", + " \"Mutation\": {\n", + " \"color\": {\n", + " \"background\": \"#1f77b4\",\n", + " \"border\": \"#1f77b4\",\n", + " \"highlight\": { \"background\": \"#1f77b4\", \"border\": \"#1f77b4\" },\n", + " \"hover\": { \"background\": \"#1f77b4\", \"border\": \"#1f77b4\" }\n", + " }\n", + " },\n", + " \"PTM+Mutation\": {\n", + " \"color\": {\n", + " \"background\": \"#2ca02c\",\n", + " \"border\": \"#2ca02c\",\n", + " \"highlight\": { \"background\": \"#2ca02c\", \"border\": \"#2ca02c\" },\n", + " \"hover\": { \"background\": \"#2ca02c\", \"border\": \"#2ca02c\" }\n", + " }\n", + " },\n", + " \"Other\": {\n", + " \"color\": {\n", + " \"background\": \"#9FA8B0\",\n", + " \"border\": \"#9FA8B0\",\n", + " \"highlight\": { \"background\": \"#9FA8B0\", \"border\": \"#9FA8B0\" },\n", + " \"hover\": { \"background\": \"#9FA8B0\", \"border\": \"#9FA8B0\" }\n", + " }\n", + " }\n", + " }\n", + " }\n", + " \"\"\")\n", + "\n", + "\n", + "\n", + "\n", + " # ---- Nodes ----\n", + " for (ch, resi), attrs in G.nodes(data=True):\n", + " resi = int(resi)\n", + " resn = attrs.get(\"ResName\", \"\")\n", + "\n", + " is_ptm = resi in ptm_set\n", + " is_mut = resi in mut_set\n", + "\n", + " if is_ptm and is_mut:\n", + " bg = both_color\n", + " size = both_size\n", + " group = \"PTM+Mutation\"\n", + " elif is_mut:\n", + " bg = mut_color\n", + " size = mut_size\n", + " group = \"Mutation\"\n", + " elif is_ptm:\n", + " bg = ptm_color\n", + " size = ptm_size\n", + " group = \"PTM\"\n", + " else:\n", + " bg = default_color\n", + " size = node_size\n", + " group = \"Other\"\n", + "\n", + " node_id = f\"{ch}:{resi}\"\n", + "\n", + " net.add_node(\n", + " node_id,\n", + " label=f\"{resn} {resi}\" if resn else str(resi),\n", + " title=f\"{resn}:{ch}:{resi}:{group}\",\n", + " color={\n", + " \"background\": bg,\n", + " \"border\": \"#333333\",\n", + " \"highlight\": {\"background\": bg, \"border\": \"#000000\"},\n", + " \"hover\": {\"background\": bg, \"border\": \"#000000\"}\n", + " },\n", + " size=size,\n", + " group=group,\n", + " font={\"size\": 12}\n", + " )\n", + "\n", + " # ---- Edges ----\n", + " for (ch1, r1), (ch2, r2), eattrs in G.edges(data=True):\n", + " a = f\"{ch1}:{int(r1)}\"\n", + " b = f\"{ch2}:{int(r2)}\"\n", + " dist = eattrs.get(\"distance\", None)\n", + "\n", + " net.add_edge(\n", + " a, b,\n", + " color=\"#A9A9A9\",\n", + " title=f\"distance: {dist:.2f} Å\" if dist is not None else \"\"\n", + " )\n", + "\n", + " html = net.generate_html()\n", + " with open(out_html, \"w\", encoding=\"utf-8\") as f:\n", + " f.write(html)\n", + " \n", + " return out_html\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "ee3f0d87-6637-4925-b3d3-d58a3db62872", + "metadata": {}, + "outputs": [], + "source": [] + }, + { + "cell_type": "code", + "execution_count": 19, + "id": "172f1ebc-a43c-4468-971f-3660f6a32e98", + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "import subprocess\n", + "import tempfile\n", + "from Bio.PDB import PDBParser, PDBIO, Select\n", + "import nglview as nv\n", + "import ipywidgets as widgets\n", + "from IPython.display import display, clear_output\n", + "\n", + "def save_upload(upload_widget, out_dir):\n", + " os.makedirs(out_dir, exist_ok=True)\n", + " v = upload_widget.value\n", + " if not v:\n", + " raise ValueError(\"No file uploaded\")\n", + "\n", + " # Newer ipywidgets: tuple/list of dicts\n", + " if isinstance(v, (tuple, list)):\n", + " fileinfo = v[0]\n", + " name = fileinfo.get(\"name\", \"upload.pdb\")\n", + " content = fileinfo[\"content\"]\n", + "\n", + " # Older ipywidgets: dict name -> fileinfo\n", + " elif isinstance(v, dict):\n", + " name, fileinfo = next(iter(v.items()))\n", + " content = fileinfo[\"content\"]\n", + "\n", + " else:\n", + " raise TypeError(f\"Unexpected upload_widget.value type: {type(v)}\")\n", + "\n", + " path = os.path.join(out_dir, name)\n", + " with open(path, \"wb\") as f:\n", + " f.write(content)\n", + " return path\n", + "\n", + "\n", + "\n", + "def chain_range_from_pdb(pdb_path, chain_id):\n", + " parser = PDBParser(QUIET=True)\n", + " structure = parser.get_structure(\"X\", pdb_path)\n", + " residues = [\n", + " res.id[1]\n", + " for model in structure\n", + " for chain in model\n", + " if chain.id == chain_id\n", + " for res in chain\n", + " if res.id[0] == \" \"\n", + " ]\n", + " if not residues:\n", + " raise ValueError(f\"No residues found for chain {chain_id}\")\n", + " return min(residues), max(residues)\n", + "\n", + "\n", + "class ChainRangeSelect(Select):\n", + " def __init__(self, chain_id, start, end):\n", + " self.chain_id = chain_id\n", + " self.start = start\n", + " self.end = end\n", + "\n", + " def accept_chain(self, chain):\n", + " return chain.id == self.chain_id\n", + "\n", + " def accept_residue(self, residue):\n", + " r = residue.id[1]\n", + " return (self.start <= r <= self.end)\n", + "\n", + "def run_tmalign_write(pdb1, pdb2, out_dir, out_name):\n", + " os.makedirs(out_dir, exist_ok=True)\n", + " cmd = [\"TM-align\", os.path.abspath(pdb1), os.path.abspath(pdb2), \"-o\", out_name]\n", + " res = subprocess.run(cmd, cwd=out_dir, capture_output=True, text=True, check=True)\n", + "\n", + " candidates = [\n", + " os.path.join(out_dir, out_name),\n", + " os.path.join(out_dir, out_name + \".pdb\"),\n", + " os.path.join(out_dir, \"TM_sup.pdb\"),\n", + " ]\n", + " out_pdb = next((c for c in candidates if os.path.exists(c)), None)\n", + " if out_pdb is None:\n", + " raise RuntimeError(f\"No TM-align output found. Files: {os.listdir(out_dir)}\")\n", + " return out_pdb, res.stdout\n", + "\n", + "import nglview as nv\n", + "\n", + "def visualize_ngl(pdb_ref, pdb_aligned, selection=\"protein\"):\n", + " view = nv.NGLWidget()\n", + "\n", + " # CRITICAL: disable default rainbow reps\n", + " view.add_component(pdb_ref, ext=\"pdb\", defaultRepresentation=False)\n", + " view.add_component(pdb_aligned, ext=\"pdb\", defaultRepresentation=False)\n", + "\n", + " view.clear_representations()\n", + "\n", + " # Reference (blue, translucent)\n", + " view.add_cartoon(\n", + " component=0,\n", + " selection=selection,\n", + " colorScheme=\"uniform\",\n", + " colorValue=\"blue\",\n", + " opacity=0.7\n", + " )\n", + "\n", + " # Aligned (red, solid)\n", + " view.add_cartoon(\n", + " component=1,\n", + " selection=selection,\n", + " colorScheme=\"uniform\",\n", + " colorValue=\"red\",\n", + " opacity=1.0\n", + " )\n", + "\n", + " view.center()\n", + " return view\n" + ] + }, + { + "cell_type": "code", + "execution_count": 20, + "id": "04c25a76-8689-41ec-82ce-a1236ca5c5d5", + "metadata": {}, + "outputs": [], + "source": [ + "upload1 = widgets.FileUpload(accept=\".pdb\", multiple=False, description=\"Upload PDB 1\")\n", + "upload2 = widgets.FileUpload(accept=\".pdb\", multiple=False, description=\"Upload PDB 2\")\n", + "\n", + "chain1 = widgets.Text(value=\"A\", description=\"Chain 1\")\n", + "chain2 = widgets.Text(value=\"A\", description=\"Chain 2\")\n", + "\n", + "start1 = widgets.IntText(description=\"Start 1\")\n", + "end1 = widgets.IntText(description=\"End 1\")\n", + "start2 = widgets.IntText(description=\"Start 2\")\n", + "end2 = widgets.IntText(description=\"End 2\")\n", + "\n", + "btn_range = widgets.Button(description=\"Auto-fill ranges\")\n", + "btn_run = widgets.Button(description=\"Align + Visualize\", button_style=\"primary\")\n", + "\n", + "out = widgets.Output()\n", + "workdir = tempfile.mkdtemp(prefix=\"tmalign_upload_tool_\")\n" + ] + }, + { + "cell_type": "code", + "execution_count": 21, + "id": "98944d2d-f9b6-4536-82f3-fd46a97f7b62", + "metadata": {}, + "outputs": [], + "source": [ + "# Original TM-align upload-only autofill callback replaced by enhanced dropdown-aware callback in the main app cell." + ] + }, + { + "cell_type": "code", + "execution_count": 22, + "id": "7d1a40c2-d88c-4761-b644-e25bc04a21fe", + "metadata": {}, + "outputs": [], + "source": [ + "# Original TM-align upload-only run callback replaced by enhanced dropdown-aware callback in the main app cell." + ] + }, + { + "cell_type": "code", + "execution_count": 23, + "id": "718234f0-1c8f-4cd7-ac52-5149dc6610cf", + "metadata": {}, + "outputs": [], + "source": [ + "tmalign_ui = widgets.VBox([\n", + " widgets.HBox([upload1, upload2]),\n", + " widgets.HBox([chain1, start1, end1]),\n", + " widgets.HBox([chain2, start2, end2]),\n", + " widgets.HBox([btn_range, btn_run]),\n", + " out,\n", + "])\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "dc27a26e-3a91-4bef-9f08-1c77ca7289ae", + "metadata": {}, + "outputs": [], + "source": [] + }, + { + "cell_type": "code", + "execution_count": 24, + "id": "a104d002", + "metadata": {}, + "outputs": [ + { + "data": { + "application/vnd.jupyter.widget-view+json": { + "model_id": "b87a3ad1887c4db4a31e7de728f0c2bb", + "version_major": 2, + "version_minor": 0 + }, + "text/plain": [ + "VBox(children=(VBox(children=(HBox(children=(Text(value='', description='UniProt:', layout=Layout(width='320px…" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "import os, tempfile, traceback, re\n", + "import ipywidgets as w\n", + "from IPython.display import display, clear_output, IFrame, HTML\n", + "import requests\n", + "\n", + "# ----------------------------\n", + "# Scrollable df helper\n", + "# ----------------------------\n", + "def display_scrollable_df(df, max_height=\"420px\", max_width=\"100%\"):\n", + " if df is None:\n", + " return\n", + " html_table = df.to_html(index=False, escape=False)\n", + " css = f\"\"\"\n", + " \n", + " \"\"\"\n", + " display(HTML(css + f\"
{html_table}
\"))\n", + "\n", + "def _err(out: w.Output, e: Exception):\n", + " with out:\n", + " print(\"❌ Error:\", e)\n", + " traceback.print_exc()\n", + "\n", + "def _need_acc(out: w.Output):\n", + " if not state.get(\"acc\"):\n", + " with out:\n", + " print(\"Set a UniProt accession first (top bar).\")\n", + " return True\n", + " return False\n", + "\n", + "def download_alphafold_pdb(accession: str, out_dir: str) -> str:\n", + " \"\"\"Download AlphaFold PDB (model_v6) to out_dir and return file path.\"\"\"\n", + " os.makedirs(out_dir, exist_ok=True)\n", + " url = f\"https://alphafold.ebi.ac.uk/files/AF-{accession}-F1-model_v6.pdb\"\n", + " fp = os.path.join(out_dir, f\"AF-{accession}-F1-model_v6.pdb\")\n", + " r = requests.get(url, timeout=120)\n", + " r.raise_for_status()\n", + " with open(fp, \"wb\") as f:\n", + " f.write(r.content)\n", + " return fp\n", + "\n", + "# ----------------------------\n", + "# Top bar: select protein\n", + "# ----------------------------\n", + "acc_input = w.Text(description=\"UniProt:\", placeholder=\"e.g., P07949\", layout=w.Layout(width=\"320px\"))\n", + "btn_set = w.Button(description=\"Set protein\", button_style=\"info\")\n", + "lbl = w.HTML(\"Current: (not set)\")\n", + "top_out = w.Output(layout={\"border\":\"1px solid #ddd\",\"padding\":\"6px\"})\n", + "\n", + "# ----------------------------\n", + "# UniProt PDB cross-references (for Tab 3/4 dropdowns)\n", + "# ----------------------------\n", + "def fetch_uniprot_pdb_xrefs(accession: str):\n", + " \"\"\"Fetch UniProtKB JSON and parse PDB IDs + chain->(start,end) residue ranges when available.\"\"\"\n", + " url = f\"https://rest.uniprot.org/uniprotkb/{accession}.json\"\n", + " r = requests.get(url, timeout=60)\n", + " r.raise_for_status()\n", + " data = r.json()\n", + "\n", + " refs = []\n", + " for x in data.get(\"uniProtKBCrossReferences\", []) or []:\n", + " if x.get(\"database\") != \"PDB\":\n", + " continue\n", + " pdb_id = x.get(\"id\")\n", + " props = {p.get(\"key\"): p.get(\"value\") for p in (x.get(\"properties\") or []) if isinstance(p, dict)}\n", + " chains_raw = props.get(\"Chains\") or props.get(\"Chain\") or \"\"\n", + " chain_ranges = {}\n", + "\n", + " # Chains formats seen in UniProt:\n", + " # \"A=1-200\" or \"A=1-200, B=5-150\" or \"A=10-50; 70-120\" or \"A/B=1-120\"\n", + " if chains_raw:\n", + " parts = [p.strip() for p in re.split(r\",\\s*(?=[A-Za-z0-9/]+=)\", chains_raw) if p.strip()]\n", + " for part in parts:\n", + " if \"=\" not in part:\n", + " continue\n", + " lhs, rngs = part.split(\"=\", 1)\n", + " lhs = lhs.strip()\n", + " rngs = rngs.strip()\n", + "\n", + " starts, ends = [], []\n", + " for m in re.finditer(r\"(\\d+)\\s*-\\s*(\\d+)\", rngs):\n", + " starts.append(int(m.group(1)))\n", + " ends.append(int(m.group(2)))\n", + "\n", + " # chain part may be A or A/B\n", + " chains = [c.strip().upper()[:1] for c in re.split(r\"[\\/\\s]+\", lhs) if c.strip()]\n", + " if starts and ends:\n", + " for ch in chains:\n", + " chain_ranges[ch] = (min(starts), max(ends))\n", + " else:\n", + " for ch in chains:\n", + " chain_ranges.setdefault(ch, None)\n", + "\n", + " refs.append({\n", + " \"pdb_id\": pdb_id,\n", + " \"chain_ranges\": chain_ranges, # may include None for range n/a\n", + " \"raw_chains\": chains_raw,\n", + " \"method\": props.get(\"Method\"),\n", + " \"resolution\": props.get(\"Resolution\"),\n", + " })\n", + " return refs\n", + "\n", + "def on_set(_):\n", + " with top_out:\n", + " clear_output()\n", + " acc = acc_input.value.strip()\n", + " if not acc:\n", + " print(\"Please enter a UniProt accession.\")\n", + " return\n", + "\n", + " state[\"acc\"] = acc\n", + " lbl.value = f\"Current: {acc}\"\n", + "\n", + " # Fetch compact UniProt protein metadata for the Tab 1 information card\n", + " try:\n", + " state[\"protein_info\"] = fetch_uniprot_protein_info(acc)\n", + " protein_info_box.value = render_protein_info_html(state[\"protein_info\"], state.get(\"ptm_source_label\"))\n", + " except Exception as e:\n", + " state[\"protein_info\"] = None\n", + " protein_info_box.value = f\"
Protein information fetch failed: {_safe_html(e)}
\"\n", + "\n", + " # Fetch UniProt PDB cross-references for dropdowns (Tabs 3/4/5/6)\n", + " try:\n", + " state[\"uniprot_pdb_refs\"] = fetch_uniprot_pdb_xrefs(acc)\n", + " except Exception as e:\n", + " state[\"uniprot_pdb_refs\"] = []\n", + " print(f\"⚠️ UniProt PDB cross-ref fetch failed: {e}\")\n", + "\n", + " print(f\"✅ Protein set: {acc}\")\n", + " print(f\"Session workdir: {state['workdir']}\")\n", + "\n", + " # Refresh Tab 3 dropdowns if present\n", + " try:\n", + " _refresh_pdb_dropdowns()\n", + " except Exception:\n", + " pass\n", + "\n", + " # Refresh Tab 4 dropdowns if present\n", + " try:\n", + " _refresh_b2b_pdb_dropdowns()\n", + " except Exception:\n", + " pass\n", + "\n", + " # Refresh Tab 5 dropdowns if present\n", + " try:\n", + " _refresh_rin_pdb_dropdowns()\n", + " except Exception:\n", + " pass\n", + "\n", + " # Refresh Tab 6 dropdowns if present\n", + " try:\n", + " _refresh_tm_pdb_dropdowns()\n", + " except Exception:\n", + " pass\n", + "\n", + "btn_set.on_click(on_set)\n", + "top = w.VBox([w.HBox([acc_input, btn_set, lbl]), top_out])\n", + "\n", + "# ----------------------------\n", + "# TAB 1: PTMs (Scop3P + UniProt)\n", + "# ----------------------------\n", + "out_ptm = w.Output(layout={\"border\":\"1px solid #ddd\",\"padding\":\"6px\"})\n", + "btn_fetch_ptm = w.Button(description=\"Fetch PTMs\", button_style=\"warning\")\n", + "btn_show_ptm = w.Button(description=\"Show table\")\n", + "include_uniprot_ptm = w.Checkbox(\n", + " value=False,\n", + " description=\"Also include all UniProt PTMs\",\n", + " indent=False,\n", + " layout=w.Layout(width=\"420px\")\n", + ")\n", + "ptm_header = w.HTML(\"

Scop3P PTMs

\")\n", + "protein_info_box = w.HTML(render_protein_info_html(None))\n", + "\n", + "def fetch_ptm(_):\n", + " try:\n", + " with out_ptm:\n", + " clear_output()\n", + " if _need_acc(out_ptm):\n", + " return\n", + " print(\"Fetching PTMs...\")\n", + "\n", + " acc = state[\"acc\"]\n", + "\n", + " # Always try Scop3P first. This preserves the original human Scop3P behavior.\n", + " scop3p_res = fetch_protein_modifications(acc)\n", + " scop3p_mods = (scop3p_res or {}).get(\"modifications\", [])\n", + " scop3p_tbl = get_modification_table(scop3p_mods, accession=acc, source=\"Scop3P\")\n", + "\n", + " # UniProt PTMs are optional when Scop3P data exists, and automatic fallback otherwise.\n", + " use_uniprot = include_uniprot_ptm.value or scop3p_tbl.empty\n", + " if use_uniprot:\n", + " uniprot_tbl = fetch_uniprot_ptms(acc)\n", + " else:\n", + " uniprot_tbl = pd.DataFrame(columns=scop3p_tbl.columns)\n", + "\n", + " if not scop3p_tbl.empty and not uniprot_tbl.empty:\n", + " ptm_label = \"Scop3P + UniProt PTMs\"\n", + " elif not scop3p_tbl.empty:\n", + " ptm_label = \"Scop3P PTMs\"\n", + " elif not uniprot_tbl.empty:\n", + " ptm_label = \"UniProt PTMs\"\n", + " else:\n", + " ptm_label = \"No PTMs found\"\n", + "\n", + " # Merge Scop3P + UniProt by biological site.\n", + " # Scop3P wins for duplicate phosphosites, so names such as \"phosphorylation\",\n", + " # source keywords such as \"UP\", and the Scop3P feature label are retained.\n", + " tbl = merge_scop3p_uniprot_ptms(scop3p_tbl, uniprot_tbl)\n", + "\n", + " state[\"ptm_json\"] = {\n", + " \"Scop3P\": scop3p_res,\n", + " \"UniProt\": {\"enabled\": bool(use_uniprot), \"n_features\": len(uniprot_tbl)},\n", + " }\n", + " state[\"ptm_table\"] = tbl\n", + " state[\"ptm_source_label\"] = ptm_label\n", + " globals()[\"modification_table\"] = tbl # legacy compatibility\n", + "\n", + " ptm_header.value = f\"

{_safe_html(ptm_label)}

\"\n", + " protein_info_box.value = render_protein_info_html(state.get(\"protein_info\"), ptm_label)\n", + "\n", + " with out_ptm:\n", + " print(f\"✅ Done. Scop3P PTMs: {len(scop3p_tbl)} | UniProt PTMs shown: {len(uniprot_tbl)} | Total shown: {len(tbl)}\")\n", + " if not include_uniprot_ptm.value and not scop3p_tbl.empty:\n", + " print(\"Tip: enable 'Also include all UniProt PTMs' to append all single-site UniProt PTM annotations.\")\n", + " display_scrollable_df(tbl, max_height=\"420px\", max_width=\"95vw\")\n", + "\n", + " except Exception as e:\n", + " _err(out_ptm, e)\n", + "\n", + "def show_ptm(_):\n", + " with out_ptm:\n", + " clear_output()\n", + " if state.get(\"ptm_table\") is None:\n", + " print(\"No PTM table yet. Click 'Fetch PTMs'.\")\n", + " return\n", + " display_scrollable_df(state[\"ptm_table\"], max_height=\"420px\", max_width=\"95vw\")\n", + "\n", + "btn_fetch_ptm.on_click(fetch_ptm)\n", + "btn_show_ptm.on_click(show_ptm)\n", + "tab1 = w.VBox([\n", + " ptm_header,\n", + " protein_info_box,\n", + " w.HTML(\"

Fetches Scop3P PTMs by default. Enable the UniProt option to append all single-site UniProt PTM annotations, or use UniProt automatically when Scop3P has no PTMs.

\"),\n", + " include_uniprot_ptm,\n", + " w.HBox([btn_fetch_ptm, btn_show_ptm]),\n", + " out_ptm\n", + "])\n", + "\n", + "# ----------------------------\n", + "# TAB 2: Variants (UniProt/EBI API)\n", + "# ----------------------------\n", + "out_var = w.Output(layout={\"border\":\"1px solid #ddd\",\"padding\":\"6px\"})\n", + "btn_fetch_var = w.Button(description=\"Fetch disease-associated variants\", button_style=\"warning\")\n", + "\n", + "def fetch_var(_):\n", + " try:\n", + " with out_var:\n", + " clear_output()\n", + " if _need_acc(out_var):\n", + " return\n", + " print(\"Fetching variants...\")\n", + "\n", + " df = fetch_uniprot_variants_disease(state[\"acc\"])\n", + " state[\"variants_df\"] = df\n", + "\n", + " with out_var:\n", + " print(\"✅ Done.\")\n", + " display_scrollable_df(df, max_height=\"420px\", max_width=\"95vw\")\n", + "\n", + " except Exception as e:\n", + " _err(out_var, e)\n", + "\n", + "btn_fetch_var.on_click(fetch_var)\n", + "tab2 = w.VBox([w.HTML(\"

Disease-associated variants

\"), btn_fetch_var, out_var])\n", + "\n", + "# ----------------------------\n", + "# TAB 3: 3D structure viewer (PDB + AlphaFold) [NGLVIEW ONLY]\n", + "# ----------------------------\n", + "import nglview as nv\n", + "\n", + "out_3d = w.Output(layout={\"border\":\"1px solid #ddd\",\"padding\":\"8px\"})\n", + "\n", + "structure_source = w.ToggleButtons(\n", + " options=[(\"PDB\", \"pdb\"), (\"AlphaFold\", \"af\")],\n", + " value=\"pdb\",\n", + " description=\"Source:\"\n", + ")\n", + "\n", + "pdb_input = w.Text(description=\"PDB:\", placeholder=\"e.g., 2IVT\", layout=w.Layout(width=\"240px\"))\n", + "chain_input = w.Text(description=\"Chain:\", placeholder=\"A (optional)\", layout=w.Layout(width=\"200px\"))\n", + "\n", + "map_mode = w.Dropdown(\n", + " description=\"Map:\",\n", + " options=[(\"PTMs\", \"ptm\"), (\"Mutations\", \"mut\"), (\"Both\", \"both\")],\n", + " value=\"both\",\n", + " layout=w.Layout(width=\"220px\")\n", + ")\n", + "\n", + "# Dropdowns populated from UniProt PDB cross-references\n", + "pdb_dd = w.Dropdown(options=[(\"\", \"\")], value=\"\", description=\"UniProt PDB:\", layout=w.Layout(width=\"420px\"))\n", + "chain_dd = w.Dropdown(options=[(\"\", \"\")], value=\"\", description=\"Chain/range:\", layout=w.Layout(width=\"420px\"))\n", + "range_lbl = w.HTML(\"\")\n", + "\n", + "def _refresh_pdb_dropdowns():\n", + " refs = state.get(\"uniprot_pdb_refs\") or []\n", + " pdb_ids = sorted({(r.get(\"pdb_id\") or \"\").upper() for r in refs if r.get(\"pdb_id\")})\n", + " if not pdb_ids:\n", + " pdb_dd.options = [(\"\", \"\")]\n", + " pdb_dd.value = \"\"\n", + " chain_dd.options = [(\"\", \"\")]\n", + " chain_dd.value = \"\"\n", + " range_lbl.value = \"No UniProt PDB cross-references found.\"\n", + " return\n", + "\n", + " pdb_dd.options = [(\"\", \"\")] + [(pid, pid) for pid in pdb_ids]\n", + " if pdb_dd.value not in [v for _, v in pdb_dd.options]:\n", + " pdb_dd.value = \"\"\n", + " _update_chain_dropdown_from_pdb()\n", + "\n", + "def _update_chain_dropdown_from_pdb(*_):\n", + " pid = (pdb_dd.value or \"\").upper().strip()\n", + " if not pid:\n", + " chain_dd.options = [(\"\", \"\")]\n", + " chain_dd.value = \"\"\n", + " range_lbl.value = \"\"\n", + " return\n", + "\n", + " refs = state.get(\"uniprot_pdb_refs\") or []\n", + " cr = {}\n", + " for r in refs:\n", + " if (r.get(\"pdb_id\") or \"\").upper() != pid:\n", + " continue\n", + " for ch, rng in (r.get(\"chain_ranges\") or {}).items():\n", + " cr[ch] = rng\n", + "\n", + " if not cr:\n", + " chain_dd.options = [(\"\", \"\")]\n", + " chain_dd.value = \"\"\n", + " range_lbl.value = \"No chain information available in UniProt for this PDB.\"\n", + " return\n", + "\n", + " opts = [(\"\", \"\")]\n", + " for ch in sorted(cr.keys()):\n", + " rng = cr[ch]\n", + " if rng and len(rng) == 2:\n", + " label = f\"{ch} ({rng[0]}-{rng[1]})\"\n", + " else:\n", + " label = f\"{ch} (range n/a)\"\n", + " opts.append((label, ch))\n", + " chain_dd.options = opts\n", + " if chain_dd.value not in [v for _, v in opts]:\n", + " chain_dd.value = \"\"\n", + "\n", + " _sync_textboxes_from_dropdowns()\n", + "\n", + "def _sync_textboxes_from_dropdowns(*_):\n", + " if pdb_dd.value:\n", + " pdb_input.value = pdb_dd.value\n", + " if chain_dd.value:\n", + " chain_input.value = chain_dd.value\n", + "\n", + " # update range label if known\n", + " pid = (pdb_dd.value or \"\").upper().strip()\n", + " ch = (chain_dd.value or \"\").strip().upper()[:1] if chain_dd.value else \"\"\n", + " if pid and ch:\n", + " refs = state.get(\"uniprot_pdb_refs\") or []\n", + " for r in refs:\n", + " if (r.get(\"pdb_id\") or \"\").upper() != pid:\n", + " continue\n", + " rng = (r.get(\"chain_ranges\") or {}).get(ch)\n", + " if rng and len(rng) == 2:\n", + " range_lbl.value = f\"UniProt range: {ch} = {rng[0]}–{rng[1]}\"\n", + " return\n", + " range_lbl.value = f\"UniProt range: {ch} = n/a\"\n", + " else:\n", + " range_lbl.value = \"\"\n", + "\n", + "pdb_dd.observe(_update_chain_dropdown_from_pdb, names=\"value\")\n", + "chain_dd.observe(_sync_textboxes_from_dropdowns, names=\"value\")\n", + "\n", + "btn_fetch_af = w.Button(description=\"Fetch AlphaFold\", button_style=\"warning\")\n", + "btn_show_3d = w.Button(description=\"Show 3D\", button_style=\"success\")\n", + "\n", + "PTM_COLOR = {\"SER\": \"red\", \"THR\": \"green\", \"TYR\": \"orange\"}\n", + "\n", + "def _download_pdb_to_workdir(pdb_id: str, outdir: str) -> str:\n", + " pdb_id = pdb_id.strip().lower()\n", + " os.makedirs(outdir, exist_ok=True)\n", + " outpath = os.path.join(outdir, f\"{pdb_id}.pdb\")\n", + " if os.path.exists(outpath) and os.path.getsize(outpath) > 0:\n", + " return outpath\n", + "\n", + " url = f\"https://files.rcsb.org/download/{pdb_id.upper()}.pdb\"\n", + " r = requests.get(url, timeout=30)\n", + " r.raise_for_status()\n", + " with open(outpath, \"wb\") as f:\n", + " f.write(r.content)\n", + " return outpath\n", + "\n", + "def _build_nglview_from_pdbfile(pdb_path: str):\n", + " v = nv.show_file(pdb_path)\n", + " v.camera = \"orthographic\"\n", + " try:\n", + " v._remote_call(\"setParameters\", target=\"stage\", kwargs={\"tooltip\": True})\n", + " except Exception:\n", + " pass\n", + " return v\n", + "\n", + "def _style_base_ngl(view, chain=None):\n", + " try:\n", + " view.clear_representations()\n", + " except Exception:\n", + " pass\n", + " chain = (chain or \"\").strip()\n", + " if chain:\n", + " chain = chain[0].upper()\n", + " sel = f\"protein and chain {chain}\"\n", + " else:\n", + " sel = \"protein\"\n", + " view.add_representation(\"cartoon\", selection=sel, color=\"grey\")\n", + "\n", + "def _collect_ptms_from_table(ptm_table):\n", + " if ptm_table is None:\n", + " return []\n", + " pos_col = next((c for c in [\"position\",\"modpos\",\"Position\",\"MODPOS\"] if c in ptm_table.columns), None)\n", + " res_col = next((c for c in [\"residue\",\"modres\",\"Residue\",\"MODRES\"] if c in ptm_table.columns), None)\n", + " if pos_col is None or res_col is None:\n", + " return []\n", + " out = []\n", + " for _, row in ptm_table[[pos_col, res_col]].dropna().iterrows():\n", + " try:\n", + " pos = int(row[pos_col])\n", + " except Exception:\n", + " continue\n", + " res = str(row[res_col]).strip().upper()\n", + " out.append((pos, res))\n", + " return out\n", + "\n", + "def _collect_variant_positions(variants_df):\n", + " if variants_df is None or len(variants_df) == 0:\n", + " return []\n", + " if \"position\" not in variants_df.columns:\n", + " return []\n", + " out = []\n", + " for v in variants_df[\"position\"].dropna().tolist():\n", + " try:\n", + " out.append(int(v))\n", + " except Exception:\n", + " continue\n", + " return sorted(set(out))\n", + "\n", + "def _highlight_sites_ngl(view, ptm_table, variants_df=None, chain=None, mode=\"both\"):\n", + " \"\"\"\n", + " NOTE: This keeps your working behaviour (overlay). If you currently use\n", + " \"cartoon recolor only\", swap this with your recolor-only version.\n", + " \"\"\"\n", + " ptms = _collect_ptms_from_table(ptm_table)\n", + " muts = set(_collect_variant_positions(variants_df))\n", + "\n", + " chain = (chain or \"\").strip()\n", + " if chain:\n", + " chain = chain[0].upper()\n", + "\n", + " ptm_pos_to_res = {int(pos): str(res).strip().upper() for pos, res in ptms if pos is not None}\n", + "\n", + " if mode == \"ptm\":\n", + " positions = sorted(ptm_pos_to_res.keys())\n", + " elif mode == \"mut\":\n", + " positions = sorted(muts)\n", + " else:\n", + " positions = sorted(set(ptm_pos_to_res.keys()) | set(muts))\n", + "\n", + " if not positions:\n", + " return\n", + "\n", + " for pos in positions:\n", + " in_ptm = pos in ptm_pos_to_res\n", + " in_mut = pos in muts\n", + "\n", + " if mode == \"ptm\":\n", + " if not in_ptm:\n", + " continue\n", + " color = PTM_COLOR.get(ptm_pos_to_res[pos], \"#7B241C\")\n", + " elif mode == \"mut\":\n", + " if not in_mut:\n", + " continue\n", + " color = \"red\"\n", + " else:\n", + " if in_ptm and in_mut:\n", + " color = \"green\"\n", + " elif in_mut:\n", + " color = \"red\"\n", + " else:\n", + " color = PTM_COLOR.get(ptm_pos_to_res[pos], \"#7B241C\")\n", + "\n", + " sel = f\"{int(pos)}:{chain}\" if chain else f\"{int(pos)}\"\n", + " view.add_representation(\"spacefill\", selection=sel, color=color, radius=0.9)\n", + "\n", + "def on_fetch_af(_):\n", + " try:\n", + " with out_3d:\n", + " clear_output()\n", + " if not state.get(\"acc\"):\n", + " print(\"Set a UniProt accession first (header).\")\n", + " return\n", + " print(\"Downloading AlphaFold model...\")\n", + " af_path = download_alphafold_pdb(state[\"acc\"], out_dir=state[\"workdir\"])\n", + " state[\"af_path\"] = af_path\n", + " print(\"✅ Saved:\", af_path)\n", + " except Exception as e:\n", + " with out_3d:\n", + " print(\"❌ Failed to fetch AlphaFold:\", e)\n", + "\n", + "def on_show_3d(_):\n", + " try:\n", + " with out_3d:\n", + " clear_output()\n", + "\n", + " ptm_table = state.get(\"ptm_table\")\n", + "\n", + " # AlphaFold branch\n", + " if structure_source.value == \"af\":\n", + " af_path = state.get(\"af_path\")\n", + " if not af_path or not os.path.exists(af_path):\n", + " print(\"No AlphaFold model found. Click 'Fetch AlphaFold' first.\")\n", + " return\n", + " v = _build_nglview_from_pdbfile(af_path)\n", + " _style_base_ngl(v)\n", + " _highlight_sites_ngl(v, ptm_table, state.get(\"variants_df\"), chain=\"A\", mode=map_mode.value)\n", + " display(v)\n", + " return\n", + "\n", + " # PDB branch\n", + " pdb = pdb_input.value.strip()\n", + " if not pdb:\n", + " print(\"Enter a PDB ID.\")\n", + " return\n", + "\n", + " ch = chain_input.value.strip() or None\n", + " if ch:\n", + " ch = ch[0].upper()\n", + "\n", + " pdb_path = _download_pdb_to_workdir(pdb, state[\"workdir\"])\n", + " v = _build_nglview_from_pdbfile(pdb_path)\n", + " _style_base_ngl(v, chain=ch)\n", + " _highlight_sites_ngl(v, ptm_table, state.get(\"variants_df\"), chain=ch, mode=map_mode.value)\n", + " display(v)\n", + "\n", + " except Exception as e:\n", + " with out_3d:\n", + " print(\"❌ Error:\", e)\n", + "\n", + "btn_fetch_af.on_click(on_fetch_af)\n", + "btn_show_3d.on_click(on_show_3d)\n", + "\n", + "pdb_controls = w.VBox([\n", + " w.HBox([pdb_input, chain_input]),\n", + " w.HBox([pdb_dd, chain_dd]),\n", + " range_lbl,\n", + "])\n", + "\n", + "def _sync_tab3_visibility(*_):\n", + " with out_3d:\n", + " clear_output()\n", + "\n", + " if structure_source.value == \"af\":\n", + " pdb_input.value = \"\"\n", + " chain_input.value = \"\"\n", + " try: pdb_dd.value = \"\"\n", + " except Exception: pass\n", + " try: chain_dd.value = \"\"\n", + " except Exception: pass\n", + "\n", + " pdb_controls.layout.display = \"none\"\n", + " btn_fetch_af.layout.display = \"\"\n", + " with out_3d:\n", + " print(\"AlphaFold selected. Click 'Fetch AlphaFold' (then 'Show 3D').\")\n", + " else:\n", + " pdb_controls.layout.display = \"\"\n", + " btn_fetch_af.layout.display = \"none\"\n", + " with out_3d:\n", + " print(\"PDB selected. Enter a PDB ID + (optional) chain, or pick from the UniProt dropdowns.\")\n", + "\n", + "structure_source.observe(_sync_tab3_visibility, names=\"value\")\n", + "_sync_tab3_visibility()\n", + "\n", + "tab3 = w.VBox([\n", + " w.HTML(\"

3D Structure Viewer

\"),\n", + " w.HBox([structure_source, btn_fetch_af, btn_show_3d, map_mode]),\n", + " pdb_controls,\n", + " out_3d\n", + "])\n", + "\n", + "# Initialize Tab 3 dropdowns (safe)\n", + "try:\n", + " _refresh_pdb_dropdowns()\n", + "except Exception:\n", + " pass\n", + "\n", + "# ----------------------------\n", + "# TAB 4: Bio2Byte predictions (on-demand)\n", + "# ----------------------------\n", + "out_b2b = w.Output(layout={\"border\":\"1px solid #ddd\",\"padding\":\"6px\"})\n", + "btn_fetch_seq = w.Button(description=\"Fetch sequence\", button_style=\"warning\")\n", + "btn_run_b2b = w.Button(description=\"Run predictions\", button_style=\"danger\")\n", + "btn_show_b2b = w.Button(description=\"Show prediction table\", button_style=\"success\")\n", + "btn_show_b2b3d = w.Button(description=\"3D panel (Bio2Byte colors)\", button_style=\"\")\n", + "\n", + "b2b_metric = w.Dropdown(description=\"Color by:\", options=[], layout=w.Layout(width=\"320px\"))\n", + "\n", + "viewer_mode = w.ToggleButtons(\n", + " options=[(\"Single (NGL)\", \"ngl\"), (\"4-panel (py3Dmol)\", \"py3dmol\")],\n", + " value=\"ngl\",\n", + " description=\"Viewer:\",\n", + " layout=w.Layout(margin=\"0 0 0 10px\")\n", + ")\n", + "\n", + "# structure source\n", + "b2b_source = w.ToggleButtons(\n", + " options=[(\"AlphaFold\", \"af\"), (\"PDB\", \"pdb\")],\n", + " value=\"af\",\n", + " description=\"Structure:\",\n", + " layout=w.Layout(width=\"360px\")\n", + ")\n", + "\n", + "# PDB entry + dropdowns\n", + "b2b_pdb_text = w.Text(description=\"PDB ID:\", placeholder=\"e.g. 6CER\", layout=w.Layout(width=\"220px\"))\n", + "b2b_chain_text = w.Text(description=\"Chain:\", placeholder=\"A\", layout=w.Layout(width=\"160px\"))\n", + "\n", + "b2b_pdb_dropdown = w.Dropdown(description=\"UniProt PDB:\", options=[\"\"], layout=w.Layout(width=\"320px\"))\n", + "b2b_chain_dropdown = w.Dropdown(description=\"Chain/range:\", options=[(\"\", \"\")], layout=w.Layout(width=\"380px\"))\n", + "\n", + "# ---- FIXED: Tab 4 dropdown population (show ALL chains, ranges if available) ----\n", + "def _refresh_b2b_pdb_dropdowns():\n", + " \"\"\"\n", + " Populate Tab 4 PDB + chain/range dropdowns from state['uniprot_pdb_refs'].\n", + "\n", + " Shows ALL chains mentioned by UniProt.\n", + " If range is known -> label \"A (UniProt 10–220)\" value \"A|10|220\"\n", + " If range is n/a -> label \"A (range n/a)\" value \"A||\"\n", + " \"\"\"\n", + " refs = state.get(\"uniprot_pdb_refs\") or []\n", + "\n", + " pdb_to_chains = {} # pid -> { chain -> (u0,u1) or None }\n", + "\n", + " for r in refs:\n", + " pid = (r.get(\"pdb_id\") or \"\").strip().upper()\n", + " if not pid:\n", + " continue\n", + " chain_map = pdb_to_chains.setdefault(pid, {})\n", + "\n", + " cr = r.get(\"chain_ranges\") or {}\n", + " for ch, rng in cr.items():\n", + " if not ch:\n", + " continue\n", + " ch = ch.strip().upper()[:1]\n", + " if rng and isinstance(rng, (tuple, list)) and len(rng) == 2:\n", + " try:\n", + " chain_map[ch] = (int(rng[0]), int(rng[1]))\n", + " except Exception:\n", + " chain_map.setdefault(ch, None)\n", + " else:\n", + " chain_map.setdefault(ch, None)\n", + "\n", + " # Also include any chain letters in raw_chains even if range not parsed\n", + " raw = (r.get(\"raw_chains\") or \"\").strip()\n", + " if raw:\n", + " for part in [p.strip() for p in raw.split(\",\") if p.strip()]:\n", + " if \"=\" not in part:\n", + " continue\n", + " lhs = part.split(\"=\", 1)[0].strip()\n", + " for ch in re.split(r\"[\\/\\s]+\", lhs):\n", + " ch = (ch or \"\").strip().upper()\n", + " if not ch:\n", + " continue\n", + " ch = ch[:1]\n", + " chain_map.setdefault(ch, None)\n", + "\n", + " state[\"b2b_pdb_chain_map\"] = pdb_to_chains\n", + "\n", + " pdb_ids = sorted(pdb_to_chains.keys())\n", + " b2b_pdb_dropdown.options = [\"\"] + pdb_ids\n", + "\n", + " if b2b_pdb_dropdown.value not in ([\"\"] + pdb_ids):\n", + " b2b_pdb_dropdown.value = \"\"\n", + "\n", + " _b2b_on_pdb_pick()\n", + "\n", + "def _b2b_on_pdb_pick(change=None):\n", + " pid = (b2b_pdb_dropdown.value or \"\").strip().upper()\n", + " pdb_map = state.get(\"b2b_pdb_chain_map\") or {}\n", + "\n", + " if not pid or pid not in pdb_map:\n", + " b2b_chain_dropdown.options = [(\"\", \"\")]\n", + " b2b_chain_dropdown.value = \"\"\n", + " return\n", + "\n", + " chain_map = pdb_map[pid] # { 'A': (u0,u1) or None }\n", + "\n", + " opts = [(\"\", \"\")]\n", + " for ch in sorted(chain_map.keys()):\n", + " rng = chain_map[ch]\n", + " if rng and len(rng) == 2:\n", + " u0, u1 = int(rng[0]), int(rng[1])\n", + " opts.append((f\"{ch} (UniProt {u0}–{u1})\", f\"{ch}|{u0}|{u1}\"))\n", + " else:\n", + " opts.append((f\"{ch} (range n/a)\", f\"{ch}||\"))\n", + "\n", + " b2b_chain_dropdown.options = opts\n", + " b2b_chain_dropdown.value = \"\"\n", + "\n", + "def _b2b_on_chain_pick(change=None):\n", + " val = b2b_chain_dropdown.value or \"\"\n", + " if \"|\" in val:\n", + " parts = (val.split(\"|\") + [\"\", \"\"])[:3]\n", + " ch = (parts[0] or \"\").strip().upper()[:1]\n", + " if ch:\n", + " b2b_chain_text.value = ch\n", + " if b2b_pdb_dropdown.value:\n", + " b2b_pdb_text.value = b2b_pdb_dropdown.value\n", + "\n", + "b2b_pdb_dropdown.observe(_b2b_on_pdb_pick, names=\"value\")\n", + "b2b_chain_dropdown.observe(_b2b_on_chain_pick, names=\"value\")\n", + "\n", + "# ---- end dropdown plumbing ----\n", + "\n", + "import colorsys\n", + "import py3Dmol\n", + "import pandas as pd\n", + "\n", + "def download_rcsb_pdb(pdbid: str, out_dir: str) -> str:\n", + " pdbid = pdbid.strip().upper()\n", + " os.makedirs(out_dir, exist_ok=True)\n", + " out_path = os.path.join(out_dir, f\"{pdbid}.pdb\")\n", + " if os.path.exists(out_path) and os.path.getsize(out_path) > 1000:\n", + " return out_path\n", + " url = f\"https://files.rcsb.org/download/{pdbid}.pdb\"\n", + " r = requests.get(url, timeout=30)\n", + " r.raise_for_status()\n", + " with open(out_path, \"wb\") as f:\n", + " f.write(r.content)\n", + " return out_path\n", + "\n", + "def pseudocolor(minval, maxval, val):\n", + " minval, maxval = float(minval), float(maxval)\n", + " if maxval == minval:\n", + " h = 120.0\n", + " else:\n", + " h = (float(maxval - val) / (maxval - minval)) * 120.0\n", + " r, g, b = colorsys.hsv_to_rgb(h/360.0, 1.0, 1.0)\n", + " rgb = tuple(int(255*x) for x in (r, g, b))\n", + " return \"0x%02x%02x%02x\" % rgb\n", + "\n", + "def remap_b2b_colors(df):\n", + " BDcolor, EFcolor, DOcolor = {}, {}, {}\n", + " seqpos = 0\n", + " min_BD, max_BD = float(df[\"backbone\"].min()), float(df[\"backbone\"].max())\n", + " min_DO, max_DO = float(df[\"disoMine\"].min()), float(df[\"disoMine\"].max())\n", + " min_EF, max_EF = float(df[\"earlyFolding\"].min()), float(df[\"earlyFolding\"].max())\n", + " for _, row in df.iterrows():\n", + " seqpos += 1\n", + " BDcolor[seqpos] = pseudocolor(min_BD, max_BD, float(row[\"backbone\"]))\n", + " DOcolor[seqpos] = pseudocolor(min_DO, max_DO, float(row[\"disoMine\"]))\n", + " EFcolor[seqpos] = pseudocolor(min_EF, max_EF, float(row[\"earlyFolding\"]))\n", + " return BDcolor, EFcolor, DOcolor\n", + "\n", + "def display_b2b_4panel_py3dmol(dynamic_properties_df, pdb_path: str, chain=None, ptm_positions=None):\n", + " BDcolor, EFcolor, DOcolor = remap_b2b_colors(dynamic_properties_df)\n", + " with open(pdb_path, \"r\") as f:\n", + " pdb_txt = f.read()\n", + "\n", + " view = py3Dmol.view(viewergrid=(2, 2), linked=True, width=950, height=740)\n", + " view.addModel(pdb_txt, \"pdb\")\n", + "\n", + " view.setStyle({}, {\"cartoon\": {\"colorscheme\": {\"prop\": \"b\", \"gradient\": \"rwb\", \"min\": 0.0, \"max\": 100.0}}}, viewer=(0, 0))\n", + " view.setStyle({}, {\"cartoon\": {\"colorscheme\": {\"prop\": \"resi\", \"map\": BDcolor}}}, viewer=(0, 1))\n", + " view.setStyle({}, {\"cartoon\": {\"colorscheme\": {\"prop\": \"resi\", \"map\": DOcolor}}}, viewer=(1, 0))\n", + " view.setStyle({}, {\"cartoon\": {\"colorscheme\": {\"prop\": \"resi\", \"map\": EFcolor}}}, viewer=(1, 1))\n", + "\n", + " for panel in [(0,0), (0,1), (1,0), (1,1)]:\n", + " view.setBackgroundColor(\"white\", viewer=panel)\n", + "\n", + " view.zoomTo()\n", + " view.render()\n", + " return view\n", + "\n", + "def fetch_seq(_):\n", + " try:\n", + " with out_b2b:\n", + " clear_output()\n", + " if _need_acc(out_b2b):\n", + " return\n", + " print(\"Fetching sequence...\")\n", + " _pid, seq = fetch_sequence_aminoacids(state[\"acc\"])\n", + " state[\"sequence\"] = seq\n", + " with out_b2b:\n", + " print(f\"✅ Sequence length: {len(seq)} aa\")\n", + " except Exception as e:\n", + " _err(out_b2b, e)\n", + "\n", + "def run_b2b(_):\n", + " try:\n", + " if not state.get(\"sequence\"):\n", + " with out_b2b:\n", + " clear_output()\n", + " print(\"Fetch sequence first.\")\n", + " return\n", + "\n", + " btn_run_b2b.disabled = True\n", + " with out_b2b:\n", + " clear_output()\n", + " print(\"Running Bio2Byte predictions (this can take a bit)...\")\n", + "\n", + " pred = predict_biophysical_features(state[\"acc\"], state[\"sequence\"])\n", + " state[\"bio2byte_raw\"] = pred\n", + " prot = pred.get(\"proteins\", {}).get(state[\"acc\"], {})\n", + " dyn = pd.DataFrame(prot)\n", + "\n", + " num_cols = [c for c in dyn.columns if dyn[c].dtype.kind in \"if\"]\n", + " b2b_metric.options = num_cols\n", + " if num_cols:\n", + " b2b_metric.value = num_cols[0]\n", + "\n", + " state[\"dynamic_properties\"] = dyn\n", + "\n", + " with out_b2b:\n", + " print(\"✅ Done.\")\n", + " display(dyn.head())\n", + "\n", + " except Exception as e:\n", + " _err(out_b2b, e)\n", + " finally:\n", + " btn_run_b2b.disabled = False\n", + "\n", + "def show_b2b(_):\n", + " with out_b2b:\n", + " clear_output()\n", + " if state.get(\"dynamic_properties\") is None:\n", + " print(\"Run predictions first.\")\n", + " return\n", + " display_scrollable_df(state[\"dynamic_properties\"], max_height=\"420px\", max_width=\"95vw\")\n", + "\n", + "def _pdb_with_bfactor_from_df(pdb_in: str, df, value_col: str, out_dir: str, chain: str = None, uni_range=None) -> str:\n", + " os.makedirs(out_dir, exist_ok=True)\n", + " out_path = os.path.join(out_dir, f\"b2b_{value_col}.pdb\")\n", + "\n", + " values = df[value_col].tolist()\n", + " pos_to_val = {i + 1: float(v) for i, v in enumerate(values) if v is not None and v == v}\n", + "\n", + " u0, u1 = None, None\n", + " if uni_range and len(uni_range) == 2:\n", + " u0, u1 = int(uni_range[0]), int(uni_range[1])\n", + "\n", + " def _set_b(line, b):\n", + " b_str = f\"{b:6.2f}\"\n", + " return line[:60] + b_str + line[66:]\n", + "\n", + " with open(pdb_in, \"r\") as fin, open(out_path, \"w\") as fout:\n", + " for line in fin:\n", + " if not (line.startswith(\"ATOM\") or line.startswith(\"HETATM\")):\n", + " fout.write(line)\n", + " continue\n", + "\n", + " ch = line[21].strip()\n", + " if chain and ch and ch != chain:\n", + " fout.write(line)\n", + " continue\n", + "\n", + " try:\n", + " resseq = int(line[22:26].strip())\n", + " except:\n", + " fout.write(line)\n", + " continue\n", + "\n", + " if u0 is not None and not (u0 <= resseq <= u1):\n", + " fout.write(line)\n", + " continue\n", + "\n", + " if resseq in pos_to_val:\n", + " fout.write(_set_b(line, pos_to_val[resseq]))\n", + " else:\n", + " fout.write(line)\n", + "\n", + " return out_path\n", + "\n", + "def display_b2b_3D_ngl(dyn_df, pdb_path: str, value_col: str, chain: str = None, uni_range=None):\n", + " out_pdb = _pdb_with_bfactor_from_df(\n", + " pdb_in=pdb_path,\n", + " df=dyn_df,\n", + " value_col=value_col,\n", + " out_dir=state[\"workdir\"],\n", + " chain=(chain or None),\n", + " uni_range=uni_range\n", + " )\n", + "\n", + " v = nv.show_file(out_pdb)\n", + " v.clear_representations()\n", + " v.add_representation(\"cartoon\", selection=\"protein\", color=\"grey\")\n", + "\n", + " sel = \"protein\"\n", + " ch = (chain or \"\").strip()\n", + " if ch:\n", + " sel = f\"protein and :{ch}\"\n", + " if uni_range and len(uni_range) == 2:\n", + " u0, u1 = int(uni_range[0]), int(uni_range[1])\n", + " if ch:\n", + " sel = f\"{u0}-{u1}:{ch}\"\n", + " else:\n", + " sel = f\"{u0}-{u1}\"\n", + "\n", + " v.add_representation(\"cartoon\", selection=sel, color_scheme=\"bfactor\")\n", + " try:\n", + " v.center()\n", + " except Exception:\n", + " try:\n", + " v._remote_call(\"autoView\", target=\"stage\")\n", + " except Exception:\n", + " pass\n", + " return v\n", + "\n", + "def show_b2b3d(_):\n", + " try:\n", + " with out_b2b:\n", + " clear_output()\n", + "\n", + " if state.get(\"dynamic_properties\") is None:\n", + " print(\"Run predictions first.\")\n", + " return\n", + "\n", + " if not b2b_metric.value:\n", + " print(\"Pick a metric.\")\n", + " return\n", + "\n", + " pdb_path = None\n", + " chain = None\n", + " uni_range = None\n", + "\n", + " if b2b_source.value == \"af\":\n", + " if not state.get(\"af_path\"):\n", + " print(\"Fetch AlphaFold model first (Tab 3).\")\n", + " return\n", + " pdb_path = state[\"af_path\"]\n", + " chain = \"A\"\n", + " uni_range = None\n", + " else:\n", + " pdbid = (b2b_pdb_text.value or \"\").strip().upper() or (b2b_pdb_dropdown.value or \"\").strip().upper()\n", + " if not pdbid:\n", + " print(\"Provide a PDB ID (type it or pick from the UniProt PDB dropdown).\")\n", + " return\n", + " pdb_path = download_rcsb_pdb(pdbid, out_dir=state[\"workdir\"])\n", + "\n", + " chain = (b2b_chain_text.value or \"\").strip().upper() or None\n", + "\n", + " v = (b2b_chain_dropdown.value or \"\")\n", + " if \"|\" in v:\n", + " parts = (v.split(\"|\") + [\"\", \"\"])[:3]\n", + " _ch, u0, u1 = parts[0], parts[1], parts[2]\n", + " _ch = (_ch or \"\").strip().upper()[:1]\n", + " if _ch and not chain:\n", + " chain = _ch\n", + " if u0 and u1:\n", + " try:\n", + " uni_range = (int(u0), int(u1))\n", + " except Exception:\n", + " uni_range = None\n", + "\n", + " if viewer_mode.value == \"ngl\":\n", + " v = display_b2b_3D_ngl(\n", + " state[\"dynamic_properties\"],\n", + " pdb_path=pdb_path,\n", + " value_col=b2b_metric.value,\n", + " chain=chain,\n", + " uni_range=uni_range\n", + " )\n", + " display(v)\n", + " return\n", + "\n", + " # 4-panel py3Dmol\n", + " view = display_b2b_4panel_py3dmol(\n", + " state[\"dynamic_properties\"],\n", + " pdb_path=pdb_path,\n", + " chain=chain\n", + " )\n", + " display(view)\n", + "\n", + " except Exception as e:\n", + " _err(out_b2b, e)\n", + "\n", + "import threading\n", + "\n", + "# --- Auto-refresh controller for Tab 4 ---\n", + "state[\"b2b_autorefresh\"] = True\n", + "_b2b_refresh_timer = None\n", + "\n", + "def _b2b_autorefresh(_=None, delay=0.15):\n", + " \"\"\"Debounced auto refresh for Bio2Byte 3D panel.\"\"\"\n", + " global _b2b_refresh_timer\n", + " if not state.get(\"b2b_autorefresh\", True):\n", + " return\n", + " # Only auto-refresh if user already has predictions\n", + " if state.get(\"dynamic_properties\") is None:\n", + " return\n", + "\n", + " # cancel pending\n", + " try:\n", + " if _b2b_refresh_timer is not None:\n", + " _b2b_refresh_timer.cancel()\n", + " except Exception:\n", + " pass\n", + "\n", + " def _go():\n", + " try:\n", + " show_b2b3d(None)\n", + " except Exception:\n", + " pass\n", + "\n", + " _b2b_refresh_timer = threading.Timer(delay, _go)\n", + " _b2b_refresh_timer.start()\n", + "\n", + "\n", + "btn_fetch_seq.on_click(fetch_seq)\n", + "btn_run_b2b.on_click(run_b2b)\n", + "btn_show_b2b.on_click(show_b2b)\n", + "btn_show_b2b3d.on_click(show_b2b3d)\n", + "\n", + "# Auto-refresh whenever these change\n", + "viewer_mode.observe(_b2b_autorefresh, names=\"value\")\n", + "b2b_metric.observe(_b2b_autorefresh, names=\"value\")\n", + "b2b_source.observe(_b2b_autorefresh, names=\"value\")\n", + "\n", + "b2b_pdb_text.observe(_b2b_autorefresh, names=\"value\")\n", + "b2b_chain_text.observe(_b2b_autorefresh, names=\"value\")\n", + "b2b_pdb_dropdown.observe(_b2b_autorefresh, names=\"value\")\n", + "b2b_chain_dropdown.observe(_b2b_autorefresh, names=\"value\")\n", + "\n", + "\n", + "tab4_controls_pdb = w.VBox([\n", + " w.HBox([b2b_pdb_text, b2b_chain_text]),\n", + " w.HBox([b2b_pdb_dropdown, b2b_chain_dropdown]),\n", + "])\n", + "tab4_controls_pdb.layout.display = \"none\"\n", + "\n", + "def _b2b_set_source_ui(*_):\n", + " with out_b2b:\n", + " clear_output()\n", + " if b2b_source.value == \"af\":\n", + " b2b_pdb_text.value = \"\"\n", + " b2b_chain_text.value = \"\"\n", + " try: b2b_pdb_dropdown.value = \"\"\n", + " except Exception: pass\n", + " try: b2b_chain_dropdown.value = \"\"\n", + " except Exception: pass\n", + " tab4_controls_pdb.layout.display = \"none\"\n", + " print(\"AlphaFold selected. Use Tab 3 to fetch the AlphaFold model, then come back here to color by Bio2Byte properties.\")\n", + " else:\n", + " tab4_controls_pdb.layout.display = \"\"\n", + " print(\"PDB selected. Provide a PDB ID (or pick from UniProt PDB dropdown). Optional: choose chain/range from dropdown to restrict coloring.\")\n", + "\n", + "b2b_source.observe(lambda ch: _b2b_set_source_ui(), names=\"value\")\n", + "_b2b_set_source_ui()\n", + "\n", + "tab4 = w.VBox([\n", + " w.HTML(\"

Bio2Byte biophysical predictions

\"),\n", + " w.HBox([btn_fetch_seq, btn_run_b2b, btn_show_b2b, btn_show_b2b3d]),\n", + " w.HBox([b2b_source, viewer_mode, b2b_metric]),\n", + " tab4_controls_pdb,\n", + " out_b2b\n", + "])\n", + "\n", + "# Initialize Tab 4 dropdowns (safe)\n", + "try:\n", + " _refresh_b2b_pdb_dropdowns()\n", + "except Exception:\n", + " pass\n", + "\n", + "\n", + "\n", + "# ----------------------------\n", + "# Shared UniProt PDB dropdown helpers for Tabs 5/6\n", + "# ----------------------------\n", + "def _pdb_options_from_uniprot_refs():\n", + " refs = state.get(\"uniprot_pdb_refs\") or []\n", + " pdb_ids = sorted({(r.get(\"pdb_id\") or \"\").upper() for r in refs if r.get(\"pdb_id\")})\n", + " return [(\"\", \"\")] + [(pid, pid) for pid in pdb_ids]\n", + "\n", + "def _chain_options_for_uniprot_pdb(pdb_id: str):\n", + " pdb_id = (pdb_id or \"\").upper().strip()\n", + " refs = state.get(\"uniprot_pdb_refs\") or []\n", + " cr = {}\n", + " for r in refs:\n", + " if (r.get(\"pdb_id\") or \"\").upper() != pdb_id:\n", + " continue\n", + " for ch, rng in (r.get(\"chain_ranges\") or {}).items():\n", + " cr[ch] = rng\n", + " opts = [(\"\", \"\")]\n", + " for ch in sorted(cr.keys()):\n", + " rng = cr[ch]\n", + " if rng and len(rng) == 2:\n", + " opts.append((f\"{ch} ({rng[0]}-{rng[1]})\", ch))\n", + " else:\n", + " opts.append((f\"{ch} (range n/a)\", ch))\n", + " return opts\n", + "\n", + "def _selected_uniprot_chain_range(pdb_id: str, chain_id: str):\n", + " pdb_id = (pdb_id or \"\").upper().strip()\n", + " chain_id = (chain_id or \"\").upper().strip()[:1]\n", + " if not pdb_id or not chain_id:\n", + " return None\n", + " for r in state.get(\"uniprot_pdb_refs\") or []:\n", + " if (r.get(\"pdb_id\") or \"\").upper() != pdb_id:\n", + " continue\n", + " rng = (r.get(\"chain_ranges\") or {}).get(chain_id)\n", + " if rng and len(rng) == 2:\n", + " return int(rng[0]), int(rng[1])\n", + " return None\n", + "\n", + "def _set_dd_options(dd, options):\n", + " values = [v for _, v in options]\n", + " old = dd.value\n", + " dd.options = options\n", + " dd.value = old if old in values else \"\"\n", + "\n", + "def _sync_chain_dropdown_for_pdb(pdb_dd_widget, chain_dd_widget, range_label_widget=None):\n", + " pid = (pdb_dd_widget.value or \"\").upper().strip()\n", + " if not pid:\n", + " chain_dd_widget.options = [(\"\", \"\")]\n", + " chain_dd_widget.value = \"\"\n", + " if range_label_widget is not None:\n", + " range_label_widget.value = \"\"\n", + " return\n", + " opts = _chain_options_for_uniprot_pdb(pid)\n", + " _set_dd_options(chain_dd_widget, opts)\n", + " if range_label_widget is not None:\n", + " ch = (chain_dd_widget.value or \"\").upper().strip()[:1]\n", + " rng = _selected_uniprot_chain_range(pid, ch)\n", + " if ch and rng:\n", + " range_label_widget.value = f\"UniProt range: {ch} = {rng[0]}–{rng[1]}\"\n", + " elif ch:\n", + " range_label_widget.value = f\"UniProt range: {ch} = n/a\"\n", + " else:\n", + " range_label_widget.value = \"\"\n", + "\n", + "def _extract_chain_or_range(pdb_path: str, chain_id: str, out_path: str, start=None, end=None) -> str:\n", + " chain_id = (chain_id or \"A\").strip()[:1]\n", + " if start is None or end is None:\n", + " start, end = chain_range_from_pdb(pdb_path, chain_id)\n", + " parser = PDBParser(QUIET=True)\n", + " io = PDBIO()\n", + " io.set_structure(parser.get_structure(\"X\", pdb_path))\n", + " io.save(out_path, select=ChainRangeSelect(chain_id, int(start), int(end)))\n", + " return out_path\n", + "\n", + "# ----------------------------\n", + "# TAB 5: RIN (Residue Interaction Network)\n", + "# ----------------------------\n", + "out_rin = w.Output(layout={\"border\":\"1px solid #ddd\",\"padding\":\"6px\"})\n", + "rin_source = w.RadioButtons(\n", + " options=[(\"AlphaFold\", \"alphafold\"), (\"UniProt PDB dropdown\", \"uniprot_pdb\"), (\"Upload PDB\", \"upload\")],\n", + " value=\"alphafold\",\n", + " description=\"Structure:\",\n", + " layout=w.Layout(width=\"260px\")\n", + ")\n", + "btn_dl_af = w.Button(description=\"Download AlphaFold PDB\", button_style=\"warning\")\n", + "rin_pdb_dd = w.Dropdown(options=[(\"\", \"\")], value=\"\", description=\"UniProt PDB:\", layout=w.Layout(width=\"420px\"))\n", + "rin_chain_dd = w.Dropdown(options=[(\"\", \"\")], value=\"\", description=\"Chain/range:\", layout=w.Layout(width=\"420px\"))\n", + "rin_range_lbl = w.HTML(\"\")\n", + "upload_pdb = w.FileUpload(accept=\".pdb\", multiple=False, description=\"Upload PDB\")\n", + "chain_rin = w.Text(description=\"Upload/AF chain:\", placeholder=\"A\", value=\"A\", layout=w.Layout(width=\"220px\"))\n", + "cutoff = w.FloatSlider(description=\"Cutoff Å:\", min=4.0, max=12.0, step=0.5, value=8.0, readout=True)\n", + "btn_build_rin = w.Button(description=\"Build RIN\", button_style=\"danger\")\n", + "btn_show_rin = w.Button(description=\"Show RIN\", button_style=\"success\")\n", + "\n", + "import os\n", + "\n", + "def _save_upload_to_path(upl: w.FileUpload, out_dir: str) -> str:\n", + " if not upl.value:\n", + " raise ValueError(\"No PDB uploaded\")\n", + " v = upl.value\n", + " if isinstance(v, dict):\n", + " fname, item = next(iter(v.items()))\n", + " name = item.get(\"metadata\", {}).get(\"name\") or item.get(\"name\") or fname or \"uploaded.pdb\"\n", + " content = item.get(\"content\", b\"\")\n", + " elif isinstance(v, (list, tuple)):\n", + " item = v[0]\n", + " name = item.get(\"metadata\", {}).get(\"name\") or item.get(\"name\") or \"uploaded.pdb\"\n", + " content = item.get(\"content\", b\"\")\n", + " else:\n", + " raise TypeError(f\"Unexpected FileUpload.value type: {type(v)}\")\n", + " if isinstance(content, memoryview):\n", + " content = content.tobytes()\n", + " elif isinstance(content, bytearray):\n", + " content = bytes(content)\n", + " os.makedirs(out_dir, exist_ok=True)\n", + " fp = os.path.join(out_dir, name)\n", + " with open(fp, \"wb\") as f:\n", + " f.write(content)\n", + " if os.path.getsize(fp) < 100:\n", + " raise ValueError(f\"Uploaded file looks too small ({os.path.getsize(fp)} bytes). Not a valid PDB?\")\n", + " return fp\n", + "\n", + "def _refresh_rin_pdb_dropdowns():\n", + " _set_dd_options(rin_pdb_dd, _pdb_options_from_uniprot_refs())\n", + " _sync_chain_dropdown_for_pdb(rin_pdb_dd, rin_chain_dd, rin_range_lbl)\n", + "\n", + "def _update_rin_chain_dropdown(*_):\n", + " _sync_chain_dropdown_for_pdb(rin_pdb_dd, rin_chain_dd, rin_range_lbl)\n", + "\n", + "def _update_rin_source_ui(*_):\n", + " if rin_source.value == \"uniprot_pdb\":\n", + " rin_uniprot_controls.layout.display = \"\"\n", + " rin_upload_controls.layout.display = \"none\"\n", + " btn_dl_af.layout.display = \"none\"\n", + " chain_rin.description = \"Fallback chain:\"\n", + " elif rin_source.value == \"upload\":\n", + " rin_uniprot_controls.layout.display = \"none\"\n", + " rin_upload_controls.layout.display = \"\"\n", + " btn_dl_af.layout.display = \"none\"\n", + " chain_rin.description = \"Upload chain:\"\n", + " else:\n", + " rin_uniprot_controls.layout.display = \"none\"\n", + " rin_upload_controls.layout.display = \"none\"\n", + " btn_dl_af.layout.display = \"\"\n", + " chain_rin.description = \"AF chain:\"\n", + "\n", + "rin_pdb_dd.observe(_update_rin_chain_dropdown, names=\"value\")\n", + "rin_chain_dd.observe(_update_rin_chain_dropdown, names=\"value\")\n", + "rin_source.observe(_update_rin_source_ui, names=\"value\")\n", + "\n", + "def dl_af(_):\n", + " try:\n", + " with out_rin:\n", + " clear_output()\n", + " if _need_acc(out_rin): \n", + " return\n", + " print(\"Downloading AlphaFold PDB...\")\n", + " fp = download_alphafold_pdb(state[\"acc\"], state[\"workdir\"])\n", + " state[\"rin_pdb_path\"] = fp\n", + " with out_rin:\n", + " print(f\"✅ Saved: {fp}\")\n", + " except Exception as e:\n", + " _err(out_rin, e)\n", + "\n", + "def _resolve_rin_structure():\n", + " src = rin_source.value\n", + " if src == \"upload\":\n", + " pdb_path = _save_upload_to_path(upload_pdb, state[\"workdir\"])\n", + " ch = (chain_rin.value or \"A\").strip()[:1]\n", + " rng = None\n", + " label = f\"uploaded {os.path.basename(pdb_path)}\"\n", + " elif src == \"uniprot_pdb\":\n", + " pid = (rin_pdb_dd.value or \"\").upper().strip()\n", + " if not pid:\n", + " raise ValueError(\"Select a UniProt PDB entry first.\")\n", + " pdb_path = _download_pdb_to_workdir(pid, state[\"workdir\"])\n", + " ch = (rin_chain_dd.value or chain_rin.value or \"A\").strip()[:1]\n", + " rng = _selected_uniprot_chain_range(pid, ch)\n", + " label = f\"{pid} chain {ch}\"\n", + " else:\n", + " if state.get(\"rin_pdb_path\") and os.path.exists(state[\"rin_pdb_path\"]):\n", + " pdb_path = state[\"rin_pdb_path\"]\n", + " else:\n", + " pdb_path = download_alphafold_pdb(state[\"acc\"], state[\"workdir\"])\n", + " state[\"rin_pdb_path\"] = pdb_path\n", + " ch = (chain_rin.value or \"A\").strip()[:1]\n", + " rng = None\n", + " label = f\"AlphaFold chain {ch}\"\n", + " return pdb_path, ch, rng, label\n", + "\n", + "def build_rin(_):\n", + " try:\n", + " with out_rin:\n", + " clear_output()\n", + " if _need_acc(out_rin):\n", + " return\n", + " pdb_path, ch, rng, label = _resolve_rin_structure()\n", + " print(\"Using pdb_path:\", pdb_path)\n", + " print(\"File size (bytes):\", os.path.getsize(pdb_path))\n", + " if rng:\n", + " print(f\"Building RIN from {label}, UniProt mapped range {rng[0]}-{rng[1]}, cutoff {cutoff.value} Å ...\")\n", + " rin_input = os.path.join(state[\"workdir\"], f\"rin_{os.path.basename(pdb_path).replace('.pdb','')}_{ch}_{rng[0]}_{rng[1]}.pdb\")\n", + " _extract_chain_or_range(pdb_path, ch, rin_input, rng[0], rng[1])\n", + " else:\n", + " print(f\"Building RIN from {label}, cutoff {cutoff.value} Å ...\")\n", + " rin_input = pdb_path\n", + "\n", + " tmp = build_geometry_graph_from_pdb(rin_input, chain=ch, cutoff=float(cutoff.value))\n", + " G = tmp[0] if isinstance(tmp, tuple) else tmp\n", + " print(\"Chain used for RIN:\", G.graph.get(\"chain\"))\n", + " ptm_pos = None\n", + " mut_pos = None\n", + " if state.get(\"ptm_table\") is not None and \"position\" in state[\"ptm_table\"].columns:\n", + " ptm_pos = list(set(state[\"ptm_table\"][\"position\"].dropna().astype(int).tolist()))\n", + " if state.get(\"variants_df\") is not None and \"position\" in state[\"variants_df\"].columns:\n", + " mut_pos = list(set(state[\"variants_df\"][\"position\"].dropna().astype(int).tolist()))\n", + "\n", + " out_html = os.path.join(state[\"workdir\"], f\"rin_pyvis_{state['acc'] or 'session'}.html\")\n", + " html_path = nx_rin_to_pyvis_default(G, ptm_positions=ptm_pos, mutation_positions=mut_pos, out_html=out_html)\n", + " state[\"rin_html\"] = html_path\n", + "\n", + " with out_rin:\n", + " print(\"✅ RIN built.\")\n", + " print(\"Click 'Show RIN' to open the interactive network.\")\n", + "\n", + " except Exception as e:\n", + " _err(out_rin, e)\n", + "\n", + "from IPython.display import HTML\n", + "\n", + "def show_rin(_):\n", + " with out_rin:\n", + " clear_output()\n", + " p = state.get(\"rin_html\")\n", + " if not p or not os.path.exists(p):\n", + " print(\"No RIN HTML yet. Build it first.\")\n", + " return\n", + " with open(p, \"r\", encoding=\"utf-8\") as f:\n", + " html = f.read()\n", + " display(HTML(html))\n", + "\n", + "btn_dl_af.on_click(dl_af)\n", + "btn_build_rin.on_click(build_rin)\n", + "btn_show_rin.on_click(show_rin)\n", + "\n", + "rin_uniprot_controls = w.VBox([w.HBox([rin_pdb_dd, rin_chain_dd]), rin_range_lbl])\n", + "rin_upload_controls = w.HBox([upload_pdb])\n", + "_update_rin_source_ui()\n", + "try:\n", + " _refresh_rin_pdb_dropdowns()\n", + "except Exception:\n", + " pass\n", + "\n", + "tab5 = w.VBox([\n", + " w.HTML(\"

Residue Interaction Network (PyVis)

\"),\n", + " w.HBox([rin_source, btn_dl_af]),\n", + " rin_uniprot_controls,\n", + " rin_upload_controls,\n", + " w.HBox([chain_rin, cutoff]),\n", + " w.HBox([btn_build_rin, btn_show_rin]),\n", + " out_rin\n", + "])\n", + "\n", + "# ----------------------------\n", + "# TAB 6: TM-align tool with upload or UniProt PDB dropdowns\n", + "# ----------------------------\n", + "tm_source1 = w.RadioButtons(\n", + " options=[(\"AlphaFold\", \"alphafold\"), (\"UniProt PDB dropdown\", \"uniprot_pdb\"), (\"Upload PDB\", \"upload\")],\n", + " value=\"uniprot_pdb\",\n", + " description=\"Structure 1:\",\n", + " layout=w.Layout(width=\"260px\")\n", + ")\n", + "tm_source2 = w.RadioButtons(\n", + " options=[(\"AlphaFold\", \"alphafold\"), (\"UniProt PDB dropdown\", \"uniprot_pdb\"), (\"Upload PDB\", \"upload\")],\n", + " value=\"uniprot_pdb\",\n", + " description=\"Structure 2:\",\n", + " layout=w.Layout(width=\"260px\")\n", + ")\n", + "tm_pdb1_dd = w.Dropdown(options=[(\"\", \"\")], value=\"\", description=\"PDB 1:\", layout=w.Layout(width=\"390px\"))\n", + "tm_pdb2_dd = w.Dropdown(options=[(\"\", \"\")], value=\"\", description=\"PDB 2:\", layout=w.Layout(width=\"390px\"))\n", + "tm_chain1_dd = w.Dropdown(options=[(\"\", \"\")], value=\"\", description=\"Chain 1:\", layout=w.Layout(width=\"390px\"))\n", + "tm_chain2_dd = w.Dropdown(options=[(\"\", \"\")], value=\"\", description=\"Chain 2:\", layout=w.Layout(width=\"390px\"))\n", + "tm_range1_lbl = w.HTML(\"\")\n", + "tm_range2_lbl = w.HTML(\"\")\n", + "\n", + "# Reuse the original upload/range widgets, but relabel the upload controls.\n", + "upload1.description = \"Upload PDB 1\"\n", + "upload2.description = \"Upload PDB 2\"\n", + "chain1.description = \"Chain 1\"\n", + "chain2.description = \"Chain 2\"\n", + "\n", + "out_tm = out\n", + "workdir = state.get(\"workdir\") or workdir\n", + "\n", + "def _refresh_tm_pdb_dropdowns():\n", + " opts = _pdb_options_from_uniprot_refs()\n", + " _set_dd_options(tm_pdb1_dd, opts)\n", + " _set_dd_options(tm_pdb2_dd, opts)\n", + " _sync_chain_dropdown_for_pdb(tm_pdb1_dd, tm_chain1_dd, tm_range1_lbl)\n", + " _sync_chain_dropdown_for_pdb(tm_pdb2_dd, tm_chain2_dd, tm_range2_lbl)\n", + "\n", + "def _update_tm_chain1(*_):\n", + " _sync_chain_dropdown_for_pdb(tm_pdb1_dd, tm_chain1_dd, tm_range1_lbl)\n", + " if tm_chain1_dd.value:\n", + " chain1.value = tm_chain1_dd.value\n", + " rng = _selected_uniprot_chain_range(tm_pdb1_dd.value, tm_chain1_dd.value)\n", + " if rng:\n", + " start1.value, end1.value = rng[0], rng[1]\n", + "\n", + "def _update_tm_chain2(*_):\n", + " _sync_chain_dropdown_for_pdb(tm_pdb2_dd, tm_chain2_dd, tm_range2_lbl)\n", + " if tm_chain2_dd.value:\n", + " chain2.value = tm_chain2_dd.value\n", + " rng = _selected_uniprot_chain_range(tm_pdb2_dd.value, tm_chain2_dd.value)\n", + " if rng:\n", + " start2.value, end2.value = rng[0], rng[1]\n", + "\n", + "def _update_tm_source_ui(*_):\n", + " tm1_uniprot_controls.layout.display = \"\" if tm_source1.value == \"uniprot_pdb\" else \"none\"\n", + " tm1_upload_controls.layout.display = \"\" if tm_source1.value == \"upload\" else \"none\"\n", + " tm2_uniprot_controls.layout.display = \"\" if tm_source2.value == \"uniprot_pdb\" else \"none\"\n", + " tm2_upload_controls.layout.display = \"\" if tm_source2.value == \"upload\" else \"none\"\n", + "\n", + " # AlphaFold uses chain A by default and the full model range is auto-filled at run time.\n", + " if tm_source1.value == \"alphafold\":\n", + " chain1.value = \"A\"\n", + " if tm_source2.value == \"alphafold\":\n", + " chain2.value = \"A\"\n", + "\n", + "tm_pdb1_dd.observe(_update_tm_chain1, names=\"value\")\n", + "tm_chain1_dd.observe(_update_tm_chain1, names=\"value\")\n", + "tm_pdb2_dd.observe(_update_tm_chain2, names=\"value\")\n", + "tm_chain2_dd.observe(_update_tm_chain2, names=\"value\")\n", + "tm_source1.observe(_update_tm_source_ui, names=\"value\")\n", + "tm_source2.observe(_update_tm_source_ui, names=\"value\")\n", + "\n", + "def _resolve_tm_structure(which: int):\n", + " source = tm_source1.value if which == 1 else tm_source2.value\n", + "\n", + " if source == \"alphafold\":\n", + " if not state.get(\"acc\"):\n", + " raise ValueError(\"Set a UniProt accession first before using AlphaFold in TM-align.\")\n", + "\n", + " # Reuse the AlphaFold model fetched in Tab 3 when available.\n", + " # If it has not been fetched yet, download it here so Tab 6 works independently.\n", + " pdb = state.get(\"af_path\")\n", + " if not pdb or not os.path.exists(pdb):\n", + " pdb = download_alphafold_pdb(state[\"acc\"], out_dir=state[\"workdir\"])\n", + " state[\"af_path\"] = pdb\n", + "\n", + " ch = (chain1.value if which == 1 else chain2.value) or \"A\"\n", + " ch = ch.strip()[:1] or \"A\"\n", + " s0, e0 = chain_range_from_pdb(pdb, ch)\n", + "\n", + " if which == 1:\n", + " chain1.value, start1.value, end1.value = ch, int(s0), int(e0)\n", + " else:\n", + " chain2.value, start2.value, end2.value = ch, int(s0), int(e0)\n", + "\n", + " label = f\"AlphaFold_{state['acc']}_{ch}\"\n", + " return pdb, ch, int(s0), int(e0), label\n", + "\n", + " if which == 1:\n", + " if source == \"upload\":\n", + " pdb = save_upload(upload1, workdir)\n", + " ch = (chain1.value or \"A\").strip()[:1]\n", + " s0, e0 = int(start1.value), int(end1.value)\n", + " label = os.path.basename(pdb)\n", + " else:\n", + " pid = (tm_pdb1_dd.value or \"\").upper().strip()\n", + " if not pid:\n", + " raise ValueError(\"Select PDB 1 from the UniProt dropdown, switch Structure 1 to AlphaFold, or upload a PDB.\")\n", + " pdb = _download_pdb_to_workdir(pid, workdir)\n", + " ch = (tm_chain1_dd.value or chain1.value or \"A\").strip()[:1]\n", + " rng = _selected_uniprot_chain_range(pid, ch)\n", + " s0, e0 = rng if rng else chain_range_from_pdb(pdb, ch)\n", + " chain1.value, start1.value, end1.value = ch, int(s0), int(e0)\n", + " label = f\"{pid}_{ch}\"\n", + " else:\n", + " if source == \"upload\":\n", + " pdb = save_upload(upload2, workdir)\n", + " ch = (chain2.value or \"A\").strip()[:1]\n", + " s0, e0 = int(start2.value), int(end2.value)\n", + " label = os.path.basename(pdb)\n", + " else:\n", + " pid = (tm_pdb2_dd.value or \"\").upper().strip()\n", + " if not pid:\n", + " raise ValueError(\"Select PDB 2 from the UniProt dropdown, switch Structure 2 to AlphaFold, or upload a PDB.\")\n", + " pdb = _download_pdb_to_workdir(pid, workdir)\n", + " ch = (tm_chain2_dd.value or chain2.value or \"A\").strip()[:1]\n", + " rng = _selected_uniprot_chain_range(pid, ch)\n", + " s0, e0 = rng if rng else chain_range_from_pdb(pdb, ch)\n", + " chain2.value, start2.value, end2.value = ch, int(s0), int(e0)\n", + " label = f\"{pid}_{ch}\"\n", + " return pdb, ch, int(s0), int(e0), label\n", + "\n", + "def autofill_ranges(_):\n", + " out.clear_output()\n", + " with out:\n", + " try:\n", + " pdb1, ch1, s1, e1, label1 = _resolve_tm_structure(1)\n", + " pdb2, ch2, s2, e2, label2 = _resolve_tm_structure(2)\n", + " start1.value, end1.value = s1, e1\n", + " start2.value, end2.value = s2, e2\n", + " print(f\"Ranges auto-filled: {label1} {ch1}:{s1}-{e1}; {label2} {ch2}:{s2}-{e2}\")\n", + " except Exception as e:\n", + " print(\"ERROR:\", e)\n", + "\n", + "btn_range.on_click(autofill_ranges)\n", + "\n", + "def run_align(_):\n", + " out.clear_output()\n", + " with out:\n", + " try:\n", + " pdb1, ch1, s1, e1, label1 = _resolve_tm_structure(1)\n", + " pdb2, ch2, s2, e2, label2 = _resolve_tm_structure(2)\n", + "\n", + " seg1 = os.path.join(workdir, \"seg1.pdb\")\n", + " seg2 = os.path.join(workdir, \"seg2.pdb\")\n", + "\n", + " _extract_chain_or_range(pdb1, ch1, seg1, s1, e1)\n", + " _extract_chain_or_range(pdb2, ch2, seg2, s2, e2)\n", + "\n", + " aligned_pdb, stdout = run_tmalign_write(seg1, seg2, out_dir=workdir, out_name=\"aligned\")\n", + "\n", + " print(f\"Aligned {label1} chain {ch1}:{s1}-{e1} against {label2} chain {ch2}:{s2}-{e2}\")\n", + " print(stdout.splitlines()[0] if stdout.splitlines() else \"TM-align finished.\")\n", + " display(visualize_ngl(seg2, aligned_pdb))\n", + "\n", + " except Exception as e:\n", + " print(\"ERROR:\", e)\n", + "\n", + "btn_run.on_click(run_align)\n", + "\n", + "tm1_uniprot_controls = w.VBox([w.HBox([tm_pdb1_dd, tm_chain1_dd]), tm_range1_lbl])\n", + "tm2_uniprot_controls = w.VBox([w.HBox([tm_pdb2_dd, tm_chain2_dd]), tm_range2_lbl])\n", + "tm1_upload_controls = w.HBox([upload1])\n", + "tm2_upload_controls = w.HBox([upload2])\n", + "_update_tm_source_ui()\n", + "try:\n", + " _refresh_tm_pdb_dropdowns()\n", + "except Exception:\n", + " pass\n", + "\n", + "tmalign_ui = widgets.VBox([\n", + " widgets.HBox([tm_source1, tm_source2]),\n", + " widgets.HTML(\"Structure 1\"),\n", + " tm1_uniprot_controls,\n", + " tm1_upload_controls,\n", + " widgets.HBox([chain1, start1, end1]),\n", + " widgets.HTML(\"Structure 2\"),\n", + " tm2_uniprot_controls,\n", + " tm2_upload_controls,\n", + " widgets.HBox([chain2, start2, end2]),\n", + " widgets.HBox([btn_range, btn_run]),\n", + " out,\n", + "])\n", + "\n", + "tab6 = w.VBox([\n", + " w.HTML(\"

TM-align (AlphaFold, UniProt PDB dropdown, or uploaded structures)

\"),\n", + " w.HTML(\"

Note: TM-align must be installed in the container/server and available on PATH as TM-align.

\"),\n", + " tmalign_ui,\n", + "])\n", + "\n", + "# ----------------------------\n", + "# Assemble tabs\n", + "# ----------------------------\n", + "tabs = w.Tab(children=[tab1, tab2, tab3, tab4, tab5, tab6])\n", + "titles = [\"1) PTMs\", \"2) Variants\", \"3) 3D Viewer\", \"4) Bio2Byte\", \"5) RIN\", \"6) TM-align\"]\n", + "for i, t in enumerate(titles):\n", + " tabs.set_title(i, t)\n", + "\n", + "display(w.VBox([top, tabs]))\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "6ea94237-9eaa-42e9-acbf-4a29d0395b00", + "metadata": {}, + "outputs": [], + "source": [] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "1c1da6a1-6e7b-4b21-968a-d515eeb37bce", + "metadata": {}, + "outputs": [], + "source": [] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "ee60ab89-e247-483e-9196-04cfd1b4a90d", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.3" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/notebooks/Scop3P_PTM_structure_viz_voila_app.ipynb b/notebooks/Scop3P_PTM_structure_viz_voila_app.ipynb index 16246c8..60bcaa4 100644 --- a/notebooks/Scop3P_PTM_structure_viz_voila_app.ipynb +++ b/notebooks/Scop3P_PTM_structure_viz_voila_app.ipynb @@ -34,7 +34,7 @@ }, { "cell_type": "code", - "execution_count": 2, + "execution_count": 22, "id": "62a30299-1084-4700-a8ed-64f77b68c0c5", "metadata": {}, "outputs": [], @@ -44,12 +44,12 @@ "from b2bTools import SingleSeq, constants\n", "import py3Dmol\n", "import os\n", - "import nglview as nv\n" + "#import nglview as nv\n" ] }, { "cell_type": "code", - "execution_count": 3, + "execution_count": 23, "id": "c9d14f98-2059-424f-b794-fb169ce4f634", "metadata": {}, "outputs": [], @@ -75,7 +75,7 @@ }, { "cell_type": "code", - "execution_count": 4, + "execution_count": 24, "id": "87d604d4-ba1a-4acb-94b7-0481abe40fac", "metadata": {}, "outputs": [], @@ -102,7 +102,7 @@ }, { "cell_type": "code", - "execution_count": 5, + "execution_count": 25, "id": "51c73c52-5955-45d9-9d9d-fa3fe6069bfb", "metadata": {}, "outputs": [], @@ -123,7 +123,7 @@ }, { "cell_type": "code", - "execution_count": 6, + "execution_count": 26, "id": "353ffcec-1839-4083-8bca-16cc9370b723", "metadata": {}, "outputs": [], @@ -165,7 +165,7 @@ }, { "cell_type": "code", - "execution_count": 7, + "execution_count": 27, "id": "157e10c3", "metadata": {}, "outputs": [], @@ -230,7 +230,7 @@ }, { "cell_type": "code", - "execution_count": 8, + "execution_count": 28, "id": "e15fc47d", "metadata": {}, "outputs": [], @@ -296,7 +296,7 @@ }, { "cell_type": "code", - "execution_count": 9, + "execution_count": 29, "id": "674c34e7-e508-41be-a2ac-671dc8f47c49", "metadata": {}, "outputs": [], @@ -324,7 +324,7 @@ }, { "cell_type": "code", - "execution_count": 10, + "execution_count": 30, "id": "054287d5", "metadata": {}, "outputs": [], @@ -347,7 +347,7 @@ }, { "cell_type": "code", - "execution_count": 11, + "execution_count": 31, "id": "a1beaf87", "metadata": {}, "outputs": [], @@ -366,7 +366,7 @@ }, { "cell_type": "code", - "execution_count": 12, + "execution_count": 32, "id": "1e066d76", "metadata": {}, "outputs": [], @@ -389,7 +389,7 @@ }, { "cell_type": "code", - "execution_count": 13, + "execution_count": 33, "id": "53203ebf", "metadata": {}, "outputs": [], @@ -417,7 +417,7 @@ }, { "cell_type": "code", - "execution_count": 14, + "execution_count": 34, "id": "650fb2a9", "metadata": {}, "outputs": [], @@ -487,7 +487,7 @@ }, { "cell_type": "code", - "execution_count": 15, + "execution_count": 35, "id": "3886bc0c-1630-4bde-9b62-2125f3f81314", "metadata": {}, "outputs": [], @@ -573,7 +573,7 @@ }, { "cell_type": "code", - "execution_count": 23, + "execution_count": 36, "id": "67836388-e788-45d1-8581-88491e542560", "metadata": {}, "outputs": [], @@ -724,7 +724,7 @@ }, { "cell_type": "code", - "execution_count": 24, + "execution_count": 37, "id": "172f1ebc-a43c-4468-971f-3660f6a32e98", "metadata": {}, "outputs": [], @@ -843,7 +843,7 @@ }, { "cell_type": "code", - "execution_count": 25, + "execution_count": 38, "id": "04c25a76-8689-41ec-82ce-a1236ca5c5d5", "metadata": {}, "outputs": [], @@ -868,7 +868,7 @@ }, { "cell_type": "code", - "execution_count": 26, + "execution_count": 39, "id": "98944d2d-f9b6-4536-82f3-fd46a97f7b62", "metadata": {}, "outputs": [], @@ -895,7 +895,7 @@ }, { "cell_type": "code", - "execution_count": 27, + "execution_count": 40, "id": "7d1a40c2-d88c-4761-b644-e25bc04a21fe", "metadata": {}, "outputs": [], @@ -935,7 +935,7 @@ }, { "cell_type": "code", - "execution_count": 28, + "execution_count": 41, "id": "718234f0-1c8f-4cd7-ac52-5149dc6610cf", "metadata": {}, "outputs": [], @@ -959,14 +959,14 @@ }, { "cell_type": "code", - "execution_count": 29, + "execution_count": 42, "id": "a104d002", "metadata": {}, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "f8968325b9c84298a5a03e00a414b81c", + "model_id": "a5ffbfc8423449fcae6a671087de778b", "version_major": 2, "version_minor": 0 }, @@ -1885,6 +1885,14 @@ "metadata": {}, "outputs": [], "source": [] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "ee60ab89-e247-483e-9196-04cfd1b4a90d", + "metadata": {}, + "outputs": [], + "source": [] } ], "metadata": { @@ -1903,7 +1911,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.12" + "version": "3.12.3" } }, "nbformat": 4, diff --git a/notebooks/Scop3P_b2b_mutation_effect_voila_app.ipynb b/notebooks/Scop3P_b2b_mutation_effect_voila_app.ipynb index 642f417..96268d3 100644 --- a/notebooks/Scop3P_b2b_mutation_effect_voila_app.ipynb +++ b/notebooks/Scop3P_b2b_mutation_effect_voila_app.ipynb @@ -32,16 +32,43 @@ " > - This app keeps the predictions in memory and the Inference tab will summarize the effect\n" ] }, + { + "cell_type": "code", + "execution_count": 1, + "id": "bcd1ea33-0b68-4d38-9179-97c9ec027402", + "metadata": {}, + "outputs": [], + "source": [ + "import warnings\n", + "from sklearn.exceptions import InconsistentVersionWarning\n", + "\n", + "warnings.filterwarnings(\"ignore\", category=InconsistentVersionWarning)\n", + "\n", + "## this warning becoz of b2btools inconsistnat with other packages b2btools uses old versions " + ] + }, { "cell_type": "code", "execution_count": 2, "id": "0b06183b", "metadata": {}, "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/paddy/venvs/ptm/lib/python3.12/site-packages/b2bTools/singleSeq/PSPer/Constants.py:18: UserWarning: \n", + "PSPer can only run if HMMER is installed.\n", + "Please install it from http://hmmer.org on your computer, and refer to this installation in the\n", + " b2bTools/python/b2bTools/singleSeq/PSPer/Constant.py\n", + "file by pointing the hmmbuild_bin and hmmscan_bin variables at the binaries.\n", + " warnings.warn(\"\"\"\n" + ] + }, { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "91322a43082048568f43ec22b4d0af45", + "model_id": "a8f25b1f25d945d7ad95c58ad111e918", "version_major": 2, "version_minor": 0 }, @@ -815,7 +842,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.12" + "version": "3.12.3" } }, "nbformat": 4, diff --git a/notebooks/af_cache/O00141.pdb b/notebooks/af_cache/O00141.pdb new file mode 100644 index 0000000..7a7ce2a --- /dev/null +++ b/notebooks/af_cache/O00141.pdb @@ -0,0 +1,3537 @@ +HEADER 01-AUG-25 +TITLE ALPHAFOLD MONOMER V2.0 PREDICTION FOR SERINE/THREONINE-PROTEIN KINASE +TITLE 2 SGK1 (O00141) +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE SGK1; +COMPND 3 CHAIN: A +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_TAXID: 9606 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH JOHN JUMPER, RICHARD EVANS, ALEXANDER PRITZEL, TIM GREEN, +REMARK 1 AUTH 2 MICHAEL FIGURNOV, OLAF RONNEBERGER, KATHRYN TUNYASUVUNAKOOL, +REMARK 1 AUTH 3 RUSS BATES, AUGUSTIN ZIDEK, ANNA POTAPENKO, ALEX BRIDGLAND, +REMARK 1 AUTH 4 CLEMENS MEYER, SIMON A A KOHL, ANDREW J BALLARD, +REMARK 1 AUTH 5 ANDREW COWIE, BERNARDINO ROMERA-PAREDES, STANISLAV NIKOLOV, +REMARK 1 AUTH 6 RISHUB JAIN, JONAS ADLER, TREVOR BACK, STIG PETERSEN, +REMARK 1 AUTH 7 DAVID REIMAN, ELLEN CLANCY, MICHAL ZIELINSKI, +REMARK 1 AUTH 8 MARTIN STEINEGGER, MICHALINA PACHOLSKA, TAMAS BERGHAMMER, +REMARK 1 AUTH 9 DAVID SILVER, ORIOL VINYALS, ANDREW W SENIOR, +REMARK 1 AUTH10 KORAY KAVUKCUOGLU, PUSHMEET KOHLI, DEMIS HASSABIS +REMARK 1 TITL HIGHLY ACCURATE PROTEIN STRUCTURE PREDICTION WITH ALPHAFOLD +REMARK 1 REF NATURE V. 596 583 2021 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 PMID 34265844 +REMARK 1 DOI 10.1038/s41586-021-03819-2 +REMARK 1 +REMARK 1 DISCLAIMERS +REMARK 1 ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE +REMARK 1 INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD +REMARK 1 BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY +REMARK 1 OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +REMARK 1 USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD +REMARK 1 PARTY. THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR +REMARK 1 PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT +REMARK 1 CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +REMARK 1 ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +DBREF XXXX A 1 431 UNP O00141 SGK1_HUMAN 1 431 +SEQRES 1 A 431 MET THR VAL LYS THR GLU ALA ALA LYS GLY THR LEU THR +SEQRES 2 A 431 TYR SER ARG MET ARG GLY MET VAL ALA ILE LEU ILE ALA +SEQRES 3 A 431 PHE MET LYS GLN ARG ARG MET GLY LEU ASN ASP PHE ILE +SEQRES 4 A 431 GLN LYS ILE ALA ASN ASN SER TYR ALA CYS LYS HIS PRO +SEQRES 5 A 431 GLU VAL GLN SER ILE LEU LYS ILE SER GLN PRO GLN GLU +SEQRES 6 A 431 PRO GLU LEU MET ASN ALA ASN PRO SER PRO PRO PRO SER +SEQRES 7 A 431 PRO SER GLN GLN ILE ASN LEU GLY PRO SER SER ASN PRO +SEQRES 8 A 431 HIS ALA LYS PRO SER ASP PHE HIS PHE LEU LYS VAL ILE +SEQRES 9 A 431 GLY LYS GLY SER PHE GLY LYS VAL LEU LEU ALA ARG HIS +SEQRES 10 A 431 LYS ALA GLU GLU VAL PHE TYR ALA VAL LYS VAL LEU GLN +SEQRES 11 A 431 LYS LYS ALA ILE LEU LYS LYS LYS GLU GLU LYS HIS ILE +SEQRES 12 A 431 MET SER GLU ARG ASN VAL LEU LEU LYS ASN VAL LYS HIS +SEQRES 13 A 431 PRO PHE LEU VAL GLY LEU HIS PHE SER PHE GLN THR ALA +SEQRES 14 A 431 ASP LYS LEU TYR PHE VAL LEU ASP TYR ILE ASN GLY GLY +SEQRES 15 A 431 GLU LEU PHE TYR HIS LEU GLN ARG GLU ARG CYS PHE LEU +SEQRES 16 A 431 GLU PRO ARG ALA ARG PHE TYR ALA ALA GLU ILE ALA SER +SEQRES 17 A 431 ALA LEU GLY TYR LEU HIS SER LEU ASN ILE VAL TYR ARG +SEQRES 18 A 431 ASP LEU LYS PRO GLU ASN ILE LEU LEU ASP SER GLN GLY +SEQRES 19 A 431 HIS ILE VAL LEU THR ASP PHE GLY LEU CYS LYS GLU ASN +SEQRES 20 A 431 ILE GLU HIS ASN SER THR THR SER THR PHE CYS GLY THR +SEQRES 21 A 431 PRO GLU TYR LEU ALA PRO GLU VAL LEU HIS LYS GLN PRO +SEQRES 22 A 431 TYR ASP ARG THR VAL ASP TRP TRP CYS LEU GLY ALA VAL +SEQRES 23 A 431 LEU TYR GLU MET LEU TYR GLY LEU PRO PRO PHE TYR SER +SEQRES 24 A 431 ARG ASN THR ALA GLU MET TYR ASP ASN ILE LEU ASN LYS +SEQRES 25 A 431 PRO LEU GLN LEU LYS PRO ASN ILE THR ASN SER ALA ARG +SEQRES 26 A 431 HIS LEU LEU GLU GLY LEU LEU GLN LYS ASP ARG THR LYS +SEQRES 27 A 431 ARG LEU GLY ALA LYS ASP ASP PHE MET GLU ILE LYS SER +SEQRES 28 A 431 HIS VAL PHE PHE SER LEU ILE ASN TRP ASP ASP LEU ILE +SEQRES 29 A 431 ASN LYS LYS ILE THR PRO PRO PHE ASN PRO ASN VAL SER +SEQRES 30 A 431 GLY PRO ASN ASP LEU ARG HIS PHE ASP PRO GLU PHE THR +SEQRES 31 A 431 GLU GLU PRO VAL PRO ASN SER ILE GLY LYS SER PRO ASP +SEQRES 32 A 431 SER VAL LEU VAL THR ALA SER VAL LYS GLU ALA ALA GLU +SEQRES 33 A 431 ALA PHE LEU GLY PHE SER TYR ALA PRO PRO THR ASP SER +SEQRES 34 A 431 PHE LEU +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +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 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N MET A 1 -23.125 49.167 -50.988 1.00 36.88 N +ATOM 2 CA MET A 1 -22.303 47.956 -51.186 1.00 36.88 C +ATOM 3 C MET A 1 -21.815 47.539 -49.799 1.00 36.88 C +ATOM 4 CB MET A 1 -21.152 48.250 -52.169 1.00 36.88 C +ATOM 5 O MET A 1 -20.825 48.089 -49.356 1.00 36.88 O +ATOM 6 CG MET A 1 -21.644 48.414 -53.615 1.00 36.88 C +ATOM 7 SD MET A 1 -20.304 48.730 -54.792 1.00 36.88 S +ATOM 8 CE MET A 1 -21.214 48.786 -56.361 1.00 36.88 C +ATOM 9 N THR A 2 -22.583 46.862 -48.927 1.00 28.88 N +ATOM 10 CA THR A 2 -23.166 45.492 -49.018 1.00 28.88 C +ATOM 11 C THR A 2 -22.048 44.486 -49.343 1.00 28.88 C +ATOM 12 CB THR A 2 -24.396 45.364 -49.961 1.00 28.88 C +ATOM 13 O THR A 2 -21.469 44.626 -50.409 1.00 28.88 O +ATOM 14 CG2 THR A 2 -25.638 44.919 -49.189 1.00 28.88 C +ATOM 15 OG1 THR A 2 -24.790 46.569 -50.590 1.00 28.88 O +ATOM 16 N VAL A 3 -21.608 43.542 -48.491 1.00 32.12 N +ATOM 17 CA VAL A 3 -22.271 42.370 -47.849 1.00 32.12 C +ATOM 18 C VAL A 3 -21.244 41.756 -46.843 1.00 32.12 C +ATOM 19 CB VAL A 3 -22.569 41.362 -48.998 1.00 32.12 C +ATOM 20 O VAL A 3 -20.069 41.729 -47.187 1.00 32.12 O +ATOM 21 CG1 VAL A 3 -22.885 39.925 -48.604 1.00 32.12 C +ATOM 22 CG2 VAL A 3 -23.777 41.802 -49.840 1.00 32.12 C +ATOM 23 N LYS A 4 -21.564 41.538 -45.544 1.00 30.17 N +ATOM 24 CA LYS A 4 -21.870 40.255 -44.811 1.00 30.17 C +ATOM 25 C LYS A 4 -20.811 39.131 -44.950 1.00 30.17 C +ATOM 26 CB LYS A 4 -23.243 39.679 -45.194 1.00 30.17 C +ATOM 27 O LYS A 4 -20.253 39.002 -46.023 1.00 30.17 O +ATOM 28 CG LYS A 4 -24.470 40.587 -45.083 1.00 30.17 C +ATOM 29 CD LYS A 4 -25.709 39.763 -45.471 1.00 30.17 C +ATOM 30 CE LYS A 4 -27.002 40.539 -45.212 1.00 30.17 C +ATOM 31 NZ LYS A 4 -28.191 39.748 -45.621 1.00 30.17 N +ATOM 32 N THR A 5 -20.514 38.207 -44.026 1.00 30.98 N +ATOM 33 CA THR A 5 -20.899 37.765 -42.654 1.00 30.98 C +ATOM 34 C THR A 5 -19.923 36.611 -42.327 1.00 30.98 C +ATOM 35 CB THR A 5 -22.306 37.136 -42.571 1.00 30.98 C +ATOM 36 O THR A 5 -19.487 35.942 -43.255 1.00 30.98 O +ATOM 37 CG2 THR A 5 -23.342 38.104 -41.997 1.00 30.98 C +ATOM 38 OG1 THR A 5 -22.746 36.657 -43.823 1.00 30.98 O +ATOM 39 N GLU A 6 -19.462 36.404 -41.089 1.00 33.12 N +ATOM 40 CA GLU A 6 -19.787 35.269 -40.178 1.00 33.12 C +ATOM 41 C GLU A 6 -18.579 35.114 -39.220 1.00 33.12 C +ATOM 42 CB GLU A 6 -19.887 33.907 -40.911 1.00 33.12 C +ATOM 43 O GLU A 6 -17.469 35.464 -39.603 1.00 33.12 O +ATOM 44 CG GLU A 6 -21.246 33.631 -41.573 1.00 33.12 C +ATOM 45 CD GLU A 6 -21.354 32.225 -42.188 1.00 33.12 C +ATOM 46 OE1 GLU A 6 -22.513 31.788 -42.367 1.00 33.12 O +ATOM 47 OE2 GLU A 6 -20.303 31.607 -42.462 1.00 33.12 O +ATOM 48 N ALA A 7 -18.592 34.529 -38.024 1.00 32.56 N +ATOM 49 CA ALA A 7 -19.539 34.275 -36.941 1.00 32.56 C +ATOM 50 C ALA A 7 -18.673 33.702 -35.785 1.00 32.56 C +ATOM 51 CB ALA A 7 -20.639 33.290 -37.355 1.00 32.56 C +ATOM 52 O ALA A 7 -17.652 33.052 -36.011 1.00 32.56 O +ATOM 53 N ALA A 8 -19.037 33.992 -34.537 1.00 29.00 N +ATOM 54 CA ALA A 8 -18.193 33.845 -33.351 1.00 29.00 C +ATOM 55 C ALA A 8 -17.905 32.389 -32.908 1.00 29.00 C +ATOM 56 CB ALA A 8 -18.882 34.632 -32.229 1.00 29.00 C +ATOM 57 O ALA A 8 -18.809 31.558 -32.844 1.00 29.00 O +ATOM 58 N LYS A 9 -16.668 32.114 -32.458 1.00 32.38 N +ATOM 59 CA LYS A 9 -16.323 30.980 -31.575 1.00 32.38 C +ATOM 60 C LYS A 9 -15.954 31.523 -30.192 1.00 32.38 C +ATOM 61 CB LYS A 9 -15.193 30.114 -32.172 1.00 32.38 C +ATOM 62 O LYS A 9 -14.847 32.007 -29.984 1.00 32.38 O +ATOM 63 CG LYS A 9 -15.708 29.117 -33.223 1.00 32.38 C +ATOM 64 CD LYS A 9 -14.575 28.227 -33.761 1.00 32.38 C +ATOM 65 CE LYS A 9 -15.134 27.223 -34.780 1.00 32.38 C +ATOM 66 NZ LYS A 9 -14.065 26.404 -35.407 1.00 32.38 N +ATOM 67 N GLY A 10 -16.904 31.471 -29.259 1.00 33.84 N +ATOM 68 CA GLY A 10 -16.695 31.843 -27.859 1.00 33.84 C +ATOM 69 C GLY A 10 -15.849 30.807 -27.113 1.00 33.84 C +ATOM 70 O GLY A 10 -16.219 29.637 -27.028 1.00 33.84 O +ATOM 71 N THR A 11 -14.718 31.249 -26.570 1.00 33.19 N +ATOM 72 CA THR A 11 -13.774 30.469 -25.761 1.00 33.19 C +ATOM 73 C THR A 11 -14.425 29.993 -24.455 1.00 33.19 C +ATOM 74 CB THR A 11 -12.531 31.332 -25.467 1.00 33.19 C +ATOM 75 O THR A 11 -14.951 30.792 -23.680 1.00 33.19 O +ATOM 76 CG2 THR A 11 -11.322 30.513 -25.023 1.00 33.19 C +ATOM 77 OG1 THR A 11 -12.148 32.019 -26.638 1.00 33.19 O +ATOM 78 N LEU A 12 -14.399 28.679 -24.203 1.00 32.78 N +ATOM 79 CA LEU A 12 -14.960 28.047 -23.005 1.00 32.78 C +ATOM 80 C LEU A 12 -14.112 28.415 -21.770 1.00 32.78 C +ATOM 81 CB LEU A 12 -15.029 26.515 -23.234 1.00 32.78 C +ATOM 82 O LEU A 12 -12.960 28.000 -21.651 1.00 32.78 O +ATOM 83 CG LEU A 12 -16.268 25.845 -22.613 1.00 32.78 C +ATOM 84 CD1 LEU A 12 -17.472 25.967 -23.551 1.00 32.78 C +ATOM 85 CD2 LEU A 12 -16.019 24.358 -22.358 1.00 32.78 C +ATOM 86 N THR A 13 -14.661 29.205 -20.849 1.00 40.22 N +ATOM 87 CA THR A 13 -13.967 29.622 -19.621 1.00 40.22 C +ATOM 88 C THR A 13 -13.828 28.470 -18.616 1.00 40.22 C +ATOM 89 CB THR A 13 -14.658 30.835 -18.975 1.00 40.22 C +ATOM 90 O THR A 13 -14.690 27.598 -18.499 1.00 40.22 O +ATOM 91 CG2 THR A 13 -14.489 32.102 -19.814 1.00 40.22 C +ATOM 92 OG1 THR A 13 -16.043 30.605 -18.840 1.00 40.22 O +ATOM 93 N TYR A 14 -12.736 28.475 -17.844 1.00 33.19 N +ATOM 94 CA TYR A 14 -12.389 27.453 -16.842 1.00 33.19 C +ATOM 95 C TYR A 14 -13.477 27.230 -15.770 1.00 33.19 C +ATOM 96 CB TYR A 14 -11.052 27.883 -16.217 1.00 33.19 C +ATOM 97 O TYR A 14 -13.672 26.108 -15.304 1.00 33.19 O +ATOM 98 CG TYR A 14 -10.450 26.919 -15.214 1.00 33.19 C +ATOM 99 CD1 TYR A 14 -10.427 27.247 -13.842 1.00 33.19 C +ATOM 100 CD2 TYR A 14 -9.883 25.709 -15.657 1.00 33.19 C +ATOM 101 CE1 TYR A 14 -9.819 26.376 -12.915 1.00 33.19 C +ATOM 102 CE2 TYR A 14 -9.298 24.827 -14.730 1.00 33.19 C +ATOM 103 OH TYR A 14 -8.624 24.320 -12.506 1.00 33.19 O +ATOM 104 CZ TYR A 14 -9.245 25.167 -13.363 1.00 33.19 C +ATOM 105 N SER A 15 -14.264 28.258 -15.438 1.00 34.62 N +ATOM 106 CA SER A 15 -15.421 28.144 -14.538 1.00 34.62 C +ATOM 107 C SER A 15 -16.549 27.278 -15.114 1.00 34.62 C +ATOM 108 CB SER A 15 -15.949 29.542 -14.198 1.00 34.62 C +ATOM 109 O SER A 15 -17.157 26.503 -14.376 1.00 34.62 O +ATOM 110 OG SER A 15 -16.198 30.286 -15.379 1.00 34.62 O +ATOM 111 N ARG A 16 -16.786 27.326 -16.435 1.00 34.19 N +ATOM 112 CA ARG A 16 -17.747 26.443 -17.119 1.00 34.19 C +ATOM 113 C ARG A 16 -17.263 24.991 -17.171 1.00 34.19 C +ATOM 114 CB ARG A 16 -18.085 26.982 -18.522 1.00 34.19 C +ATOM 115 O ARG A 16 -18.081 24.093 -16.997 1.00 34.19 O +ATOM 116 CG ARG A 16 -19.193 28.044 -18.479 1.00 34.19 C +ATOM 117 CD ARG A 16 -19.573 28.504 -19.896 1.00 34.19 C +ATOM 118 NE ARG A 16 -20.994 28.900 -19.978 1.00 34.19 N +ATOM 119 NH1 ARG A 16 -20.997 29.657 -22.148 1.00 34.19 N +ATOM 120 NH2 ARG A 16 -22.912 29.572 -21.010 1.00 34.19 N +ATOM 121 CZ ARG A 16 -21.624 29.373 -21.041 1.00 34.19 C +ATOM 122 N MET A 17 -15.955 24.748 -17.317 1.00 37.56 N +ATOM 123 CA MET A 17 -15.386 23.392 -17.211 1.00 37.56 C +ATOM 124 C MET A 17 -15.553 22.802 -15.804 1.00 37.56 C +ATOM 125 CB MET A 17 -13.905 23.370 -17.628 1.00 37.56 C +ATOM 126 O MET A 17 -15.916 21.635 -15.677 1.00 37.56 O +ATOM 127 CG MET A 17 -13.753 23.361 -19.151 1.00 37.56 C +ATOM 128 SD MET A 17 -12.063 23.065 -19.739 1.00 37.56 S +ATOM 129 CE MET A 17 -11.403 24.751 -19.748 1.00 37.56 C +ATOM 130 N ARG A 18 -15.380 23.616 -14.753 1.00 38.16 N +ATOM 131 CA ARG A 18 -15.581 23.208 -13.351 1.00 38.16 C +ATOM 132 C ARG A 18 -17.018 22.745 -13.079 1.00 38.16 C +ATOM 133 CB ARG A 18 -15.163 24.374 -12.434 1.00 38.16 C +ATOM 134 O ARG A 18 -17.219 21.718 -12.440 1.00 38.16 O +ATOM 135 CG ARG A 18 -14.404 23.888 -11.195 1.00 38.16 C +ATOM 136 CD ARG A 18 -13.974 25.086 -10.339 1.00 38.16 C +ATOM 137 NE ARG A 18 -13.150 24.662 -9.192 1.00 38.16 N +ATOM 138 NH1 ARG A 18 -12.505 26.751 -8.481 1.00 38.16 N +ATOM 139 NH2 ARG A 18 -11.788 24.942 -7.390 1.00 38.16 N +ATOM 140 CZ ARG A 18 -12.487 25.451 -8.364 1.00 38.16 C +ATOM 141 N GLY A 19 -18.003 23.461 -13.630 1.00 34.31 N +ATOM 142 CA GLY A 19 -19.411 23.062 -13.577 1.00 34.31 C +ATOM 143 C GLY A 19 -19.693 21.780 -14.364 1.00 34.31 C +ATOM 144 O GLY A 19 -20.360 20.890 -13.852 1.00 34.31 O +ATOM 145 N MET A 20 -19.145 21.637 -15.577 1.00 38.12 N +ATOM 146 CA MET A 20 -19.389 20.443 -16.397 1.00 38.12 C +ATOM 147 C MET A 20 -18.781 19.168 -15.808 1.00 38.12 C +ATOM 148 CB MET A 20 -18.900 20.639 -17.837 1.00 38.12 C +ATOM 149 O MET A 20 -19.429 18.132 -15.884 1.00 38.12 O +ATOM 150 CG MET A 20 -19.805 21.595 -18.620 1.00 38.12 C +ATOM 151 SD MET A 20 -19.580 21.522 -20.419 1.00 38.12 S +ATOM 152 CE MET A 20 -20.621 20.083 -20.800 1.00 38.12 C +ATOM 153 N VAL A 21 -17.586 19.223 -15.208 1.00 42.34 N +ATOM 154 CA VAL A 21 -16.953 18.045 -14.581 1.00 42.34 C +ATOM 155 C VAL A 21 -17.695 17.630 -13.309 1.00 42.34 C +ATOM 156 CB VAL A 21 -15.453 18.282 -14.318 1.00 42.34 C +ATOM 157 O VAL A 21 -17.981 16.447 -13.145 1.00 42.34 O +ATOM 158 CG1 VAL A 21 -14.800 17.110 -13.574 1.00 42.34 C +ATOM 159 CG2 VAL A 21 -14.696 18.454 -15.643 1.00 42.34 C +ATOM 160 N ALA A 22 -18.098 18.582 -12.460 1.00 42.94 N +ATOM 161 CA ALA A 22 -18.927 18.289 -11.288 1.00 42.94 C +ATOM 162 C ALA A 22 -20.292 17.697 -11.687 1.00 42.94 C +ATOM 163 CB ALA A 22 -19.083 19.573 -10.467 1.00 42.94 C +ATOM 164 O ALA A 22 -20.714 16.687 -11.128 1.00 42.94 O +ATOM 165 N ILE A 23 -20.938 18.260 -12.719 1.00 40.19 N +ATOM 166 CA ILE A 23 -22.176 17.711 -13.292 1.00 40.19 C +ATOM 167 C ILE A 23 -21.935 16.306 -13.854 1.00 40.19 C +ATOM 168 CB ILE A 23 -22.773 18.669 -14.354 1.00 40.19 C +ATOM 169 O ILE A 23 -22.784 15.444 -13.672 1.00 40.19 O +ATOM 170 CG1 ILE A 23 -23.328 19.943 -13.674 1.00 40.19 C +ATOM 171 CG2 ILE A 23 -23.901 18.000 -15.167 1.00 40.19 C +ATOM 172 CD1 ILE A 23 -23.612 21.093 -14.652 1.00 40.19 C +ATOM 173 N LEU A 24 -20.793 16.036 -14.496 1.00 38.56 N +ATOM 174 CA LEU A 24 -20.476 14.712 -15.040 1.00 38.56 C +ATOM 175 C LEU A 24 -20.233 13.666 -13.948 1.00 38.56 C +ATOM 176 CB LEU A 24 -19.274 14.792 -16.005 1.00 38.56 C +ATOM 177 O LEU A 24 -20.741 12.556 -14.076 1.00 38.56 O +ATOM 178 CG LEU A 24 -19.657 14.533 -17.478 1.00 38.56 C +ATOM 179 CD1 LEU A 24 -19.203 15.674 -18.388 1.00 38.56 C +ATOM 180 CD2 LEU A 24 -19.022 13.234 -17.977 1.00 38.56 C +ATOM 181 N ILE A 25 -19.519 14.003 -12.872 1.00 45.22 N +ATOM 182 CA ILE A 25 -19.298 13.094 -11.735 1.00 45.22 C +ATOM 183 C ILE A 25 -20.624 12.816 -11.020 1.00 45.22 C +ATOM 184 CB ILE A 25 -18.222 13.657 -10.778 1.00 45.22 C +ATOM 185 O ILE A 25 -20.962 11.653 -10.791 1.00 45.22 O +ATOM 186 CG1 ILE A 25 -16.846 13.657 -11.484 1.00 45.22 C +ATOM 187 CG2 ILE A 25 -18.154 12.834 -9.474 1.00 45.22 C +ATOM 188 CD1 ILE A 25 -15.745 14.394 -10.712 1.00 45.22 C +ATOM 189 N ALA A 26 -21.418 13.859 -10.752 1.00 41.09 N +ATOM 190 CA ALA A 26 -22.759 13.715 -10.192 1.00 41.09 C +ATOM 191 C ALA A 26 -23.658 12.873 -11.113 1.00 41.09 C +ATOM 192 CB ALA A 26 -23.343 15.110 -9.946 1.00 41.09 C +ATOM 193 O ALA A 26 -24.341 11.964 -10.650 1.00 41.09 O +ATOM 194 N PHE A 27 -23.593 13.085 -12.430 1.00 40.47 N +ATOM 195 CA PHE A 27 -24.344 12.315 -13.420 1.00 40.47 C +ATOM 196 C PHE A 27 -23.891 10.851 -13.496 1.00 40.47 C +ATOM 197 CB PHE A 27 -24.219 13.000 -14.784 1.00 40.47 C +ATOM 198 O PHE A 27 -24.729 9.958 -13.611 1.00 40.47 O +ATOM 199 CG PHE A 27 -25.025 12.356 -15.887 1.00 40.47 C +ATOM 200 CD1 PHE A 27 -24.396 11.552 -16.855 1.00 40.47 C +ATOM 201 CD2 PHE A 27 -26.404 12.612 -15.969 1.00 40.47 C +ATOM 202 CE1 PHE A 27 -25.143 11.045 -17.933 1.00 40.47 C +ATOM 203 CE2 PHE A 27 -27.153 12.097 -17.039 1.00 40.47 C +ATOM 204 CZ PHE A 27 -26.516 11.335 -18.032 1.00 40.47 C +ATOM 205 N MET A 28 -22.590 10.568 -13.392 1.00 43.38 N +ATOM 206 CA MET A 28 -22.056 9.202 -13.369 1.00 43.38 C +ATOM 207 C MET A 28 -22.431 8.465 -12.079 1.00 43.38 C +ATOM 208 CB MET A 28 -20.534 9.216 -13.562 1.00 43.38 C +ATOM 209 O MET A 28 -22.868 7.313 -12.146 1.00 43.38 O +ATOM 210 CG MET A 28 -20.154 9.464 -15.025 1.00 43.38 C +ATOM 211 SD MET A 28 -18.374 9.439 -15.368 1.00 43.38 S +ATOM 212 CE MET A 28 -17.948 7.725 -14.945 1.00 43.38 C +ATOM 213 N LYS A 29 -22.347 9.132 -10.918 1.00 47.47 N +ATOM 214 CA LYS A 29 -22.854 8.614 -9.636 1.00 47.47 C +ATOM 215 C LYS A 29 -24.369 8.370 -9.714 1.00 47.47 C +ATOM 216 CB LYS A 29 -22.507 9.590 -8.489 1.00 47.47 C +ATOM 217 O LYS A 29 -24.825 7.277 -9.377 1.00 47.47 O +ATOM 218 CG LYS A 29 -21.052 9.536 -7.964 1.00 47.47 C +ATOM 219 CD LYS A 29 -20.858 10.635 -6.892 1.00 47.47 C +ATOM 220 CE LYS A 29 -19.534 10.632 -6.099 1.00 47.47 C +ATOM 221 NZ LYS A 29 -19.460 11.818 -5.179 1.00 47.47 N +ATOM 222 N GLN A 30 -25.144 9.322 -10.241 1.00 44.25 N +ATOM 223 CA GLN A 30 -26.598 9.211 -10.403 1.00 44.25 C +ATOM 224 C GLN A 30 -26.992 8.102 -11.383 1.00 44.25 C +ATOM 225 CB GLN A 30 -27.185 10.572 -10.813 1.00 44.25 C +ATOM 226 O GLN A 30 -27.956 7.387 -11.122 1.00 44.25 O +ATOM 227 CG GLN A 30 -28.722 10.601 -10.750 1.00 44.25 C +ATOM 228 CD GLN A 30 -29.301 11.998 -10.973 1.00 44.25 C +ATOM 229 NE2 GLN A 30 -30.591 12.181 -10.796 1.00 44.25 N +ATOM 230 OE1 GLN A 30 -28.624 12.944 -11.329 1.00 44.25 O +ATOM 231 N ARG A 31 -26.231 7.879 -12.463 1.00 44.53 N +ATOM 232 CA ARG A 31 -26.447 6.748 -13.377 1.00 44.53 C +ATOM 233 C ARG A 31 -26.066 5.405 -12.762 1.00 44.53 C +ATOM 234 CB ARG A 31 -25.734 6.967 -14.719 1.00 44.53 C +ATOM 235 O ARG A 31 -26.813 4.453 -12.959 1.00 44.53 O +ATOM 236 CG ARG A 31 -26.557 7.881 -15.637 1.00 44.53 C +ATOM 237 CD ARG A 31 -26.060 7.802 -17.084 1.00 44.53 C +ATOM 238 NE ARG A 31 -27.113 8.234 -18.022 1.00 44.53 N +ATOM 239 NH1 ARG A 31 -25.942 7.940 -19.974 1.00 44.53 N +ATOM 240 NH2 ARG A 31 -28.066 8.621 -20.053 1.00 44.53 N +ATOM 241 CZ ARG A 31 -27.035 8.261 -19.340 1.00 44.53 C +ATOM 242 N ARG A 32 -24.983 5.305 -11.978 1.00 50.28 N +ATOM 243 CA ARG A 32 -24.671 4.075 -11.218 1.00 50.28 C +ATOM 244 C ARG A 32 -25.750 3.771 -10.177 1.00 50.28 C +ATOM 245 CB ARG A 32 -23.279 4.149 -10.557 1.00 50.28 C +ATOM 246 O ARG A 32 -26.126 2.611 -10.028 1.00 50.28 O +ATOM 247 CG ARG A 32 -22.144 3.665 -11.477 1.00 50.28 C +ATOM 248 CD ARG A 32 -20.807 3.627 -10.714 1.00 50.28 C +ATOM 249 NE ARG A 32 -19.680 3.175 -11.560 1.00 50.28 N +ATOM 250 NH1 ARG A 32 -17.962 3.640 -10.089 1.00 50.28 N +ATOM 251 NH2 ARG A 32 -17.482 2.849 -12.107 1.00 50.28 N +ATOM 252 CZ ARG A 32 -18.389 3.220 -11.248 1.00 50.28 C +ATOM 253 N MET A 33 -26.280 4.781 -9.485 1.00 48.56 N +ATOM 254 CA MET A 33 -27.403 4.603 -8.553 1.00 48.56 C +ATOM 255 C MET A 33 -28.696 4.228 -9.288 1.00 48.56 C +ATOM 256 CB MET A 33 -27.609 5.861 -7.698 1.00 48.56 C +ATOM 257 O MET A 33 -29.329 3.245 -8.926 1.00 48.56 O +ATOM 258 CG MET A 33 -26.475 6.062 -6.684 1.00 48.56 C +ATOM 259 SD MET A 33 -26.737 7.411 -5.496 1.00 48.56 S +ATOM 260 CE MET A 33 -26.880 8.834 -6.617 1.00 48.56 C +ATOM 261 N GLY A 34 -29.042 4.938 -10.366 1.00 47.84 N +ATOM 262 CA GLY A 34 -30.247 4.689 -11.158 1.00 47.84 C +ATOM 263 C GLY A 34 -30.246 3.331 -11.858 1.00 47.84 C +ATOM 264 O GLY A 34 -31.279 2.669 -11.898 1.00 47.84 O +ATOM 265 N LEU A 35 -29.092 2.871 -12.354 1.00 48.56 N +ATOM 266 CA LEU A 35 -28.952 1.532 -12.925 1.00 48.56 C +ATOM 267 C LEU A 35 -29.099 0.455 -11.844 1.00 48.56 C +ATOM 268 CB LEU A 35 -27.607 1.426 -13.666 1.00 48.56 C +ATOM 269 O LEU A 35 -29.807 -0.522 -12.063 1.00 48.56 O +ATOM 270 CG LEU A 35 -27.423 0.106 -14.440 1.00 48.56 C +ATOM 271 CD1 LEU A 35 -28.398 -0.016 -15.614 1.00 48.56 C +ATOM 272 CD2 LEU A 35 -25.999 0.023 -14.987 1.00 48.56 C +ATOM 273 N ASN A 36 -28.501 0.650 -10.664 1.00 51.19 N +ATOM 274 CA ASN A 36 -28.681 -0.268 -9.537 1.00 51.19 C +ATOM 275 C ASN A 36 -30.146 -0.325 -9.066 1.00 51.19 C +ATOM 276 CB ASN A 36 -27.734 0.127 -8.392 1.00 51.19 C +ATOM 277 O ASN A 36 -30.651 -1.419 -8.824 1.00 51.19 O +ATOM 278 CG ASN A 36 -26.319 -0.388 -8.588 1.00 51.19 C +ATOM 279 ND2 ASN A 36 -25.319 0.419 -8.342 1.00 51.19 N +ATOM 280 OD1 ASN A 36 -26.082 -1.540 -8.900 1.00 51.19 O +ATOM 281 N ASP A 37 -30.844 0.812 -8.993 1.00 62.28 N +ATOM 282 CA ASP A 37 -32.271 0.879 -8.647 1.00 62.28 C +ATOM 283 C ASP A 37 -33.166 0.262 -9.730 1.00 62.28 C +ATOM 284 CB ASP A 37 -32.692 2.339 -8.403 1.00 62.28 C +ATOM 285 O ASP A 37 -34.145 -0.415 -9.415 1.00 62.28 O +ATOM 286 CG ASP A 37 -32.527 2.811 -6.955 1.00 62.28 C +ATOM 287 OD1 ASP A 37 -31.986 2.046 -6.124 1.00 62.28 O +ATOM 288 OD2 ASP A 37 -33.008 3.933 -6.688 1.00 62.28 O +ATOM 289 N PHE A 38 -32.837 0.450 -11.011 1.00 56.53 N +ATOM 290 CA PHE A 38 -33.563 -0.164 -12.122 1.00 56.53 C +ATOM 291 C PHE A 38 -33.381 -1.685 -12.138 1.00 56.53 C +ATOM 292 CB PHE A 38 -33.117 0.471 -13.443 1.00 56.53 C +ATOM 293 O PHE A 38 -34.367 -2.417 -12.216 1.00 56.53 O +ATOM 294 CG PHE A 38 -33.871 -0.051 -14.648 1.00 56.53 C +ATOM 295 CD1 PHE A 38 -33.233 -0.895 -15.576 1.00 56.53 C +ATOM 296 CD2 PHE A 38 -35.216 0.316 -14.846 1.00 56.53 C +ATOM 297 CE1 PHE A 38 -33.928 -1.340 -16.713 1.00 56.53 C +ATOM 298 CE2 PHE A 38 -35.917 -0.147 -15.973 1.00 56.53 C +ATOM 299 CZ PHE A 38 -35.269 -0.966 -16.912 1.00 56.53 C +ATOM 300 N ILE A 39 -32.147 -2.169 -11.963 1.00 60.25 N +ATOM 301 CA ILE A 39 -31.851 -3.601 -11.825 1.00 60.25 C +ATOM 302 C ILE A 39 -32.557 -4.173 -10.587 1.00 60.25 C +ATOM 303 CB ILE A 39 -30.321 -3.839 -11.811 1.00 60.25 C +ATOM 304 O ILE A 39 -33.152 -5.243 -10.674 1.00 60.25 O +ATOM 305 CG1 ILE A 39 -29.722 -3.529 -13.205 1.00 60.25 C +ATOM 306 CG2 ILE A 39 -29.986 -5.291 -11.416 1.00 60.25 C +ATOM 307 CD1 ILE A 39 -28.188 -3.536 -13.247 1.00 60.25 C +ATOM 308 N GLN A 40 -32.581 -3.455 -9.457 1.00 56.25 N +ATOM 309 CA GLN A 40 -33.345 -3.848 -8.263 1.00 56.25 C +ATOM 310 C GLN A 40 -34.853 -3.925 -8.528 1.00 56.25 C +ATOM 311 CB GLN A 40 -33.088 -2.852 -7.121 1.00 56.25 C +ATOM 312 O GLN A 40 -35.502 -4.863 -8.066 1.00 56.25 O +ATOM 313 CG GLN A 40 -31.751 -3.069 -6.391 1.00 56.25 C +ATOM 314 CD GLN A 40 -31.866 -3.681 -4.996 1.00 56.25 C +ATOM 315 NE2 GLN A 40 -30.753 -3.990 -4.369 1.00 56.25 N +ATOM 316 OE1 GLN A 40 -32.920 -3.926 -4.425 1.00 56.25 O +ATOM 317 N LYS A 41 -35.421 -2.968 -9.274 1.00 62.88 N +ATOM 318 CA LYS A 41 -36.841 -2.976 -9.654 1.00 62.88 C +ATOM 319 C LYS A 41 -37.174 -4.132 -10.591 1.00 62.88 C +ATOM 320 CB LYS A 41 -37.248 -1.634 -10.280 1.00 62.88 C +ATOM 321 O LYS A 41 -38.212 -4.750 -10.394 1.00 62.88 O +ATOM 322 CG LYS A 41 -37.520 -0.566 -9.212 1.00 62.88 C +ATOM 323 CD LYS A 41 -37.888 0.770 -9.868 1.00 62.88 C +ATOM 324 CE LYS A 41 -38.149 1.827 -8.790 1.00 62.88 C +ATOM 325 NZ LYS A 41 -38.436 3.158 -9.380 1.00 62.88 N +ATOM 326 N ILE A 42 -36.308 -4.458 -11.553 1.00 57.12 N +ATOM 327 CA ILE A 42 -36.491 -5.635 -12.416 1.00 57.12 C +ATOM 328 C ILE A 42 -36.390 -6.918 -11.589 1.00 57.12 C +ATOM 329 CB ILE A 42 -35.508 -5.613 -13.610 1.00 57.12 C +ATOM 330 O ILE A 42 -37.292 -7.746 -11.654 1.00 57.12 O +ATOM 331 CG1 ILE A 42 -35.919 -4.474 -14.570 1.00 57.12 C +ATOM 332 CG2 ILE A 42 -35.505 -6.966 -14.355 1.00 57.12 C +ATOM 333 CD1 ILE A 42 -34.994 -4.302 -15.779 1.00 57.12 C +ATOM 334 N ALA A 43 -35.355 -7.053 -10.755 1.00 57.44 N +ATOM 335 CA ALA A 43 -35.124 -8.250 -9.948 1.00 57.44 C +ATOM 336 C ALA A 43 -36.233 -8.511 -8.909 1.00 57.44 C +ATOM 337 CB ALA A 43 -33.750 -8.122 -9.280 1.00 57.44 C +ATOM 338 O ALA A 43 -36.540 -9.665 -8.620 1.00 57.44 O +ATOM 339 N ASN A 44 -36.852 -7.459 -8.360 1.00 60.66 N +ATOM 340 CA ASN A 44 -37.967 -7.580 -7.414 1.00 60.66 C +ATOM 341 C ASN A 44 -39.338 -7.744 -8.106 1.00 60.66 C +ATOM 342 CB ASN A 44 -37.989 -6.352 -6.487 1.00 60.66 C +ATOM 343 O ASN A 44 -40.317 -8.073 -7.435 1.00 60.66 O +ATOM 344 CG ASN A 44 -36.865 -6.238 -5.466 1.00 60.66 C +ATOM 345 ND2 ASN A 44 -36.839 -5.119 -4.779 1.00 60.66 N +ATOM 346 OD1 ASN A 44 -36.019 -7.094 -5.229 1.00 60.66 O +ATOM 347 N ASN A 45 -39.448 -7.501 -9.416 1.00 49.97 N +ATOM 348 CA ASN A 45 -40.714 -7.616 -10.132 1.00 49.97 C +ATOM 349 C ASN A 45 -40.860 -9.031 -10.715 1.00 49.97 C +ATOM 350 CB ASN A 45 -40.832 -6.466 -11.146 1.00 49.97 C +ATOM 351 O ASN A 45 -40.299 -9.357 -11.759 1.00 49.97 O +ATOM 352 CG ASN A 45 -42.259 -6.202 -11.581 1.00 49.97 C +ATOM 353 ND2 ASN A 45 -42.504 -5.072 -12.203 1.00 49.97 N +ATOM 354 OD1 ASN A 45 -43.167 -6.986 -11.355 1.00 49.97 O +ATOM 355 N SER A 46 -41.638 -9.869 -10.020 1.00 51.84 N +ATOM 356 CA SER A 46 -41.921 -11.285 -10.338 1.00 51.84 C +ATOM 357 C SER A 46 -42.275 -11.548 -11.812 1.00 51.84 C +ATOM 358 CB SER A 46 -43.081 -11.729 -9.432 1.00 51.84 C +ATOM 359 O SER A 46 -41.948 -12.606 -12.350 1.00 51.84 O +ATOM 360 OG SER A 46 -43.625 -12.990 -9.773 1.00 51.84 O +ATOM 361 N TYR A 47 -42.891 -10.579 -12.494 1.00 54.38 N +ATOM 362 CA TYR A 47 -43.250 -10.700 -13.908 1.00 54.38 C +ATOM 363 C TYR A 47 -42.089 -10.393 -14.867 1.00 54.38 C +ATOM 364 CB TYR A 47 -44.473 -9.819 -14.182 1.00 54.38 C +ATOM 365 O TYR A 47 -41.977 -11.044 -15.903 1.00 54.38 O +ATOM 366 CG TYR A 47 -45.750 -10.401 -13.606 1.00 54.38 C +ATOM 367 CD1 TYR A 47 -46.461 -11.365 -14.346 1.00 54.38 C +ATOM 368 CD2 TYR A 47 -46.219 -10.000 -12.338 1.00 54.38 C +ATOM 369 CE1 TYR A 47 -47.640 -11.929 -13.824 1.00 54.38 C +ATOM 370 CE2 TYR A 47 -47.402 -10.560 -11.814 1.00 54.38 C +ATOM 371 OH TYR A 47 -49.256 -12.074 -12.070 1.00 54.38 O +ATOM 372 CZ TYR A 47 -48.115 -11.525 -12.560 1.00 54.38 C +ATOM 373 N ALA A 48 -41.186 -9.468 -14.523 1.00 54.94 N +ATOM 374 CA ALA A 48 -40.070 -9.086 -15.393 1.00 54.94 C +ATOM 375 C ALA A 48 -38.984 -10.178 -15.457 1.00 54.94 C +ATOM 376 CB ALA A 48 -39.515 -7.738 -14.917 1.00 54.94 C +ATOM 377 O ALA A 48 -38.457 -10.461 -16.529 1.00 54.94 O +ATOM 378 N CYS A 49 -38.722 -10.873 -14.342 1.00 48.16 N +ATOM 379 CA CYS A 49 -37.797 -12.018 -14.289 1.00 48.16 C +ATOM 380 C CYS A 49 -38.302 -13.271 -15.032 1.00 48.16 C +ATOM 381 CB CYS A 49 -37.518 -12.353 -12.817 1.00 48.16 C +ATOM 382 O CYS A 49 -37.532 -14.201 -15.276 1.00 48.16 O +ATOM 383 SG CYS A 49 -36.525 -11.032 -12.072 1.00 48.16 S +ATOM 384 N LYS A 50 -39.593 -13.318 -15.386 1.00 51.72 N +ATOM 385 CA LYS A 50 -40.193 -14.406 -16.174 1.00 51.72 C +ATOM 386 C LYS A 50 -40.174 -14.137 -17.679 1.00 51.72 C +ATOM 387 CB LYS A 50 -41.616 -14.695 -15.677 1.00 51.72 C +ATOM 388 O LYS A 50 -40.552 -15.025 -18.438 1.00 51.72 O +ATOM 389 CG LYS A 50 -41.612 -15.374 -14.302 1.00 51.72 C +ATOM 390 CD LYS A 50 -43.049 -15.668 -13.861 1.00 51.72 C +ATOM 391 CE LYS A 50 -43.053 -16.309 -12.471 1.00 51.72 C +ATOM 392 NZ LYS A 50 -44.427 -16.692 -12.063 1.00 51.72 N +ATOM 393 N HIS A 51 -39.741 -12.953 -18.121 1.00 55.47 N +ATOM 394 CA HIS A 51 -39.668 -12.664 -19.548 1.00 55.47 C +ATOM 395 C HIS A 51 -38.590 -13.551 -20.206 1.00 55.47 C +ATOM 396 CB HIS A 51 -39.435 -11.169 -19.799 1.00 55.47 C +ATOM 397 O HIS A 51 -37.462 -13.591 -19.700 1.00 55.47 O +ATOM 398 CG HIS A 51 -39.978 -10.737 -21.139 1.00 55.47 C +ATOM 399 CD2 HIS A 51 -41.267 -10.346 -21.383 1.00 55.47 C +ATOM 400 ND1 HIS A 51 -39.309 -10.692 -22.346 1.00 55.47 N +ATOM 401 CE1 HIS A 51 -40.178 -10.287 -23.288 1.00 55.47 C +ATOM 402 NE2 HIS A 51 -41.386 -10.071 -22.744 1.00 55.47 N +ATOM 403 N PRO A 52 -38.889 -14.251 -21.318 1.00 52.28 N +ATOM 404 CA PRO A 52 -37.967 -15.207 -21.942 1.00 52.28 C +ATOM 405 C PRO A 52 -36.593 -14.607 -22.279 1.00 52.28 C +ATOM 406 CB PRO A 52 -38.683 -15.690 -23.209 1.00 52.28 C +ATOM 407 O PRO A 52 -35.568 -15.255 -22.086 1.00 52.28 O +ATOM 408 CG PRO A 52 -40.163 -15.498 -22.893 1.00 52.28 C +ATOM 409 CD PRO A 52 -40.182 -14.276 -21.987 1.00 52.28 C +ATOM 410 N GLU A 53 -36.564 -13.343 -22.706 1.00 58.25 N +ATOM 411 CA GLU A 53 -35.328 -12.605 -23.010 1.00 58.25 C +ATOM 412 C GLU A 53 -34.502 -12.252 -21.763 1.00 58.25 C +ATOM 413 CB GLU A 53 -35.678 -11.314 -23.752 1.00 58.25 C +ATOM 414 O GLU A 53 -33.277 -12.227 -21.806 1.00 58.25 O +ATOM 415 CG GLU A 53 -36.213 -11.572 -25.168 1.00 58.25 C +ATOM 416 CD GLU A 53 -36.551 -10.265 -25.897 1.00 58.25 C +ATOM 417 OE1 GLU A 53 -36.571 -10.294 -27.144 1.00 58.25 O +ATOM 418 OE2 GLU A 53 -36.834 -9.270 -25.190 1.00 58.25 O +ATOM 419 N VAL A 54 -35.142 -12.020 -20.613 1.00 54.16 N +ATOM 420 CA VAL A 54 -34.418 -11.776 -19.354 1.00 54.16 C +ATOM 421 C VAL A 54 -33.791 -13.081 -18.861 1.00 54.16 C +ATOM 422 CB VAL A 54 -35.337 -11.124 -18.301 1.00 54.16 C +ATOM 423 O VAL A 54 -32.660 -13.084 -18.379 1.00 54.16 O +ATOM 424 CG1 VAL A 54 -34.629 -10.915 -16.956 1.00 54.16 C +ATOM 425 CG2 VAL A 54 -35.810 -9.745 -18.785 1.00 54.16 C +ATOM 426 N GLN A 55 -34.474 -14.215 -19.054 1.00 46.59 N +ATOM 427 CA GLN A 55 -33.903 -15.529 -18.754 1.00 46.59 C +ATOM 428 C GLN A 55 -32.762 -15.923 -19.699 1.00 46.59 C +ATOM 429 CB GLN A 55 -34.982 -16.615 -18.767 1.00 46.59 C +ATOM 430 O GLN A 55 -31.828 -16.582 -19.246 1.00 46.59 O +ATOM 431 CG GLN A 55 -35.949 -16.484 -17.585 1.00 46.59 C +ATOM 432 CD GLN A 55 -36.760 -17.753 -17.345 1.00 46.59 C +ATOM 433 NE2 GLN A 55 -37.560 -17.771 -16.304 1.00 46.59 N +ATOM 434 OE1 GLN A 55 -36.670 -18.751 -18.045 1.00 46.59 O +ATOM 435 N SER A 56 -32.794 -15.532 -20.977 1.00 50.19 N +ATOM 436 CA SER A 56 -31.680 -15.802 -21.896 1.00 50.19 C +ATOM 437 C SER A 56 -30.441 -14.973 -21.551 1.00 50.19 C +ATOM 438 CB SER A 56 -32.095 -15.614 -23.358 1.00 50.19 C +ATOM 439 O SER A 56 -29.337 -15.511 -21.565 1.00 50.19 O +ATOM 440 OG SER A 56 -32.421 -14.273 -23.630 1.00 50.19 O +ATOM 441 N ILE A 57 -30.614 -13.715 -21.127 1.00 54.97 N +ATOM 442 CA ILE A 57 -29.513 -12.858 -20.659 1.00 54.97 C +ATOM 443 C ILE A 57 -28.907 -13.390 -19.347 1.00 54.97 C +ATOM 444 CB ILE A 57 -30.004 -11.394 -20.544 1.00 54.97 C +ATOM 445 O ILE A 57 -27.689 -13.374 -19.179 1.00 54.97 O +ATOM 446 CG1 ILE A 57 -30.345 -10.832 -21.946 1.00 54.97 C +ATOM 447 CG2 ILE A 57 -28.947 -10.494 -19.874 1.00 54.97 C +ATOM 448 CD1 ILE A 57 -31.166 -9.536 -21.913 1.00 54.97 C +ATOM 449 N LEU A 58 -29.729 -13.916 -18.431 1.00 44.84 N +ATOM 450 CA LEU A 58 -29.263 -14.481 -17.155 1.00 44.84 C +ATOM 451 C LEU A 58 -28.577 -15.856 -17.293 1.00 44.84 C +ATOM 452 CB LEU A 58 -30.448 -14.550 -16.173 1.00 44.84 C +ATOM 453 O LEU A 58 -27.810 -16.237 -16.411 1.00 44.84 O +ATOM 454 CG LEU A 58 -30.922 -13.180 -15.646 1.00 44.84 C +ATOM 455 CD1 LEU A 58 -32.250 -13.346 -14.903 1.00 44.84 C +ATOM 456 CD2 LEU A 58 -29.917 -12.549 -14.678 1.00 44.84 C +ATOM 457 N LYS A 59 -28.817 -16.601 -18.381 1.00 43.16 N +ATOM 458 CA LYS A 59 -28.266 -17.955 -18.605 1.00 43.16 C +ATOM 459 C LYS A 59 -26.851 -17.994 -19.198 1.00 43.16 C +ATOM 460 CB LYS A 59 -29.253 -18.785 -19.445 1.00 43.16 C +ATOM 461 O LYS A 59 -26.290 -19.075 -19.327 1.00 43.16 O +ATOM 462 CG LYS A 59 -30.349 -19.410 -18.570 1.00 43.16 C +ATOM 463 CD LYS A 59 -31.340 -20.200 -19.433 1.00 43.16 C +ATOM 464 CE LYS A 59 -32.400 -20.860 -18.546 1.00 43.16 C +ATOM 465 NZ LYS A 59 -33.357 -21.663 -19.348 1.00 43.16 N +ATOM 466 N ILE A 60 -26.241 -16.853 -19.516 1.00 41.97 N +ATOM 467 CA ILE A 60 -24.955 -16.788 -20.242 1.00 41.97 C +ATOM 468 C ILE A 60 -23.713 -17.160 -19.385 1.00 41.97 C +ATOM 469 CB ILE A 60 -24.906 -15.446 -21.033 1.00 41.97 C +ATOM 470 O ILE A 60 -22.598 -17.166 -19.897 1.00 41.97 O +ATOM 471 CG1 ILE A 60 -25.851 -15.584 -22.255 1.00 41.97 C +ATOM 472 CG2 ILE A 60 -23.515 -14.996 -21.514 1.00 41.97 C +ATOM 473 CD1 ILE A 60 -26.150 -14.278 -23.002 1.00 41.97 C +ATOM 474 N SER A 61 -23.863 -17.574 -18.116 1.00 36.84 N +ATOM 475 CA SER A 61 -22.706 -17.778 -17.216 1.00 36.84 C +ATOM 476 C SER A 61 -22.793 -18.978 -16.254 1.00 36.84 C +ATOM 477 CB SER A 61 -22.423 -16.486 -16.431 1.00 36.84 C +ATOM 478 O SER A 61 -22.465 -18.833 -15.077 1.00 36.84 O +ATOM 479 OG SER A 61 -22.268 -15.365 -17.282 1.00 36.84 O +ATOM 480 N GLN A 62 -23.198 -20.169 -16.710 1.00 30.78 N +ATOM 481 CA GLN A 62 -23.050 -21.405 -15.916 1.00 30.78 C +ATOM 482 C GLN A 62 -22.092 -22.402 -16.591 1.00 30.78 C +ATOM 483 CB GLN A 62 -24.418 -22.051 -15.635 1.00 30.78 C +ATOM 484 O GLN A 62 -22.418 -22.909 -17.664 1.00 30.78 O +ATOM 485 CG GLN A 62 -25.156 -21.334 -14.494 1.00 30.78 C +ATOM 486 CD GLN A 62 -26.484 -21.991 -14.123 1.00 30.78 C +ATOM 487 NE2 GLN A 62 -27.052 -21.648 -12.988 1.00 30.78 N +ATOM 488 OE1 GLN A 62 -27.062 -22.794 -14.833 1.00 30.78 O +ATOM 489 N PRO A 63 -20.930 -22.717 -15.982 1.00 35.84 N +ATOM 490 CA PRO A 63 -20.161 -23.912 -16.316 1.00 35.84 C +ATOM 491 C PRO A 63 -20.881 -25.173 -15.806 1.00 35.84 C +ATOM 492 CB PRO A 63 -18.783 -23.742 -15.657 1.00 35.84 C +ATOM 493 O PRO A 63 -21.428 -25.173 -14.705 1.00 35.84 O +ATOM 494 CG PRO A 63 -18.762 -22.293 -15.164 1.00 35.84 C +ATOM 495 CD PRO A 63 -20.238 -21.969 -14.948 1.00 35.84 C +ATOM 496 N GLN A 64 -20.875 -26.231 -16.618 1.00 30.75 N +ATOM 497 CA GLN A 64 -21.401 -27.565 -16.308 1.00 30.75 C +ATOM 498 C GLN A 64 -20.449 -28.328 -15.362 1.00 30.75 C +ATOM 499 CB GLN A 64 -21.545 -28.346 -17.633 1.00 30.75 C +ATOM 500 O GLN A 64 -19.256 -28.404 -15.646 1.00 30.75 O +ATOM 501 CG GLN A 64 -22.652 -27.824 -18.567 1.00 30.75 C +ATOM 502 CD GLN A 64 -22.590 -28.444 -19.965 1.00 30.75 C +ATOM 503 NE2 GLN A 64 -23.698 -28.877 -20.526 1.00 30.75 N +ATOM 504 OE1 GLN A 64 -21.554 -28.523 -20.602 1.00 30.75 O +ATOM 505 N GLU A 65 -20.972 -28.944 -14.296 1.00 33.66 N +ATOM 506 CA GLU A 65 -20.290 -30.001 -13.522 1.00 33.66 C +ATOM 507 C GLU A 65 -20.931 -31.375 -13.824 1.00 33.66 C +ATOM 508 CB GLU A 65 -20.336 -29.731 -12.005 1.00 33.66 C +ATOM 509 O GLU A 65 -22.153 -31.428 -13.998 1.00 33.66 O +ATOM 510 CG GLU A 65 -19.210 -28.799 -11.529 1.00 33.66 C +ATOM 511 CD GLU A 65 -19.189 -28.588 -10.001 1.00 33.66 C +ATOM 512 OE1 GLU A 65 -18.139 -28.119 -9.504 1.00 33.66 O +ATOM 513 OE2 GLU A 65 -20.223 -28.841 -9.341 1.00 33.66 O +ATOM 514 N PRO A 66 -20.163 -32.484 -13.894 1.00 36.28 N +ATOM 515 CA PRO A 66 -20.701 -33.825 -14.125 1.00 36.28 C +ATOM 516 C PRO A 66 -21.152 -34.542 -12.836 1.00 36.28 C +ATOM 517 CB PRO A 66 -19.600 -34.610 -14.848 1.00 36.28 C +ATOM 518 O PRO A 66 -20.516 -34.446 -11.789 1.00 36.28 O +ATOM 519 CG PRO A 66 -18.339 -33.748 -14.749 1.00 36.28 C +ATOM 520 CD PRO A 66 -18.711 -32.561 -13.865 1.00 36.28 C +ATOM 521 N GLU A 67 -22.237 -35.309 -12.971 1.00 29.45 N +ATOM 522 CA GLU A 67 -22.891 -36.173 -11.978 1.00 29.45 C +ATOM 523 C GLU A 67 -22.055 -37.401 -11.564 1.00 29.45 C +ATOM 524 CB GLU A 67 -24.193 -36.725 -12.602 1.00 29.45 C +ATOM 525 O GLU A 67 -21.414 -38.026 -12.407 1.00 29.45 O +ATOM 526 CG GLU A 67 -25.250 -35.677 -12.988 1.00 29.45 C +ATOM 527 CD GLU A 67 -26.452 -36.293 -13.732 1.00 29.45 C +ATOM 528 OE1 GLU A 67 -27.590 -35.835 -13.477 1.00 29.45 O +ATOM 529 OE2 GLU A 67 -26.233 -37.200 -14.567 1.00 29.45 O +ATOM 530 N LEU A 68 -22.174 -37.828 -10.297 1.00 34.66 N +ATOM 531 CA LEU A 68 -22.083 -39.235 -9.869 1.00 34.66 C +ATOM 532 C LEU A 68 -22.795 -39.437 -8.514 1.00 34.66 C +ATOM 533 CB LEU A 68 -20.626 -39.748 -9.874 1.00 34.66 C +ATOM 534 O LEU A 68 -22.880 -38.538 -7.681 1.00 34.66 O +ATOM 535 CG LEU A 68 -20.324 -40.679 -11.074 1.00 34.66 C +ATOM 536 CD1 LEU A 68 -18.830 -40.664 -11.392 1.00 34.66 C +ATOM 537 CD2 LEU A 68 -20.752 -42.124 -10.796 1.00 34.66 C +ATOM 538 N MET A 69 -23.380 -40.625 -8.370 1.00 34.81 N +ATOM 539 CA MET A 69 -24.629 -40.944 -7.668 1.00 34.81 C +ATOM 540 C MET A 69 -24.485 -41.483 -6.224 1.00 34.81 C +ATOM 541 CB MET A 69 -25.319 -42.039 -8.506 1.00 34.81 C +ATOM 542 O MET A 69 -23.538 -42.192 -5.914 1.00 34.81 O +ATOM 543 CG MET A 69 -25.839 -41.611 -9.885 1.00 34.81 C +ATOM 544 SD MET A 69 -26.216 -43.051 -10.929 1.00 34.81 S +ATOM 545 CE MET A 69 -27.842 -42.612 -11.597 1.00 34.81 C +ATOM 546 N ASN A 70 -25.541 -41.229 -5.429 1.00 34.41 N +ATOM 547 CA ASN A 70 -26.197 -42.042 -4.377 1.00 34.41 C +ATOM 548 C ASN A 70 -25.385 -42.809 -3.306 1.00 34.41 C +ATOM 549 CB ASN A 70 -27.171 -43.026 -5.066 1.00 34.41 C +ATOM 550 O ASN A 70 -24.783 -43.834 -3.600 1.00 34.41 O +ATOM 551 CG ASN A 70 -28.449 -42.390 -5.572 1.00 34.41 C +ATOM 552 ND2 ASN A 70 -29.188 -43.080 -6.408 1.00 34.41 N +ATOM 553 OD1 ASN A 70 -28.820 -41.291 -5.203 1.00 34.41 O +ATOM 554 N ALA A 71 -25.612 -42.485 -2.019 1.00 36.03 N +ATOM 555 CA ALA A 71 -26.602 -43.162 -1.147 1.00 36.03 C +ATOM 556 C ALA A 71 -26.509 -42.698 0.339 1.00 36.03 C +ATOM 557 CB ALA A 71 -26.473 -44.693 -1.218 1.00 36.03 C +ATOM 558 O ALA A 71 -25.437 -42.667 0.931 1.00 36.03 O +ATOM 559 N ASN A 72 -27.670 -42.351 0.915 1.00 35.03 N +ATOM 560 CA ASN A 72 -27.993 -41.988 2.320 1.00 35.03 C +ATOM 561 C ASN A 72 -27.827 -43.179 3.317 1.00 35.03 C +ATOM 562 CB ASN A 72 -29.467 -41.509 2.232 1.00 35.03 C +ATOM 563 O ASN A 72 -27.683 -44.292 2.810 1.00 35.03 O +ATOM 564 CG ASN A 72 -29.626 -40.029 1.942 1.00 35.03 C +ATOM 565 ND2 ASN A 72 -30.775 -39.621 1.459 1.00 35.03 N +ATOM 566 OD1 ASN A 72 -28.755 -39.214 2.175 1.00 35.03 O +ATOM 567 N PRO A 73 -27.941 -43.052 4.677 1.00 38.03 N +ATOM 568 CA PRO A 73 -28.716 -42.058 5.452 1.00 38.03 C +ATOM 569 C PRO A 73 -28.096 -41.496 6.769 1.00 38.03 C +ATOM 570 CB PRO A 73 -29.992 -42.848 5.796 1.00 38.03 C +ATOM 571 O PRO A 73 -27.097 -41.964 7.302 1.00 38.03 O +ATOM 572 CG PRO A 73 -29.499 -44.293 5.964 1.00 38.03 C +ATOM 573 CD PRO A 73 -28.045 -44.264 5.489 1.00 38.03 C +ATOM 574 N SER A 74 -28.764 -40.458 7.280 1.00 34.91 N +ATOM 575 CA SER A 74 -28.489 -39.536 8.404 1.00 34.91 C +ATOM 576 C SER A 74 -28.302 -40.113 9.829 1.00 34.91 C +ATOM 577 CB SER A 74 -29.710 -38.597 8.468 1.00 34.91 C +ATOM 578 O SER A 74 -28.972 -41.088 10.169 1.00 34.91 O +ATOM 579 OG SER A 74 -30.919 -39.299 8.195 1.00 34.91 O +ATOM 580 N PRO A 75 -27.555 -39.419 10.726 1.00 42.62 N +ATOM 581 CA PRO A 75 -27.661 -39.547 12.186 1.00 42.62 C +ATOM 582 C PRO A 75 -28.531 -38.437 12.853 1.00 42.62 C +ATOM 583 CB PRO A 75 -26.212 -39.548 12.689 1.00 42.62 C +ATOM 584 O PRO A 75 -28.823 -37.423 12.219 1.00 42.62 O +ATOM 585 CG PRO A 75 -25.385 -38.922 11.563 1.00 42.62 C +ATOM 586 CD PRO A 75 -26.379 -38.612 10.440 1.00 42.62 C +ATOM 587 N PRO A 76 -28.976 -38.631 14.118 1.00 40.47 N +ATOM 588 CA PRO A 76 -30.090 -37.920 14.782 1.00 40.47 C +ATOM 589 C PRO A 76 -29.684 -36.593 15.484 1.00 40.47 C +ATOM 590 CB PRO A 76 -30.630 -38.978 15.758 1.00 40.47 C +ATOM 591 O PRO A 76 -28.493 -36.288 15.564 1.00 40.47 O +ATOM 592 CG PRO A 76 -29.370 -39.685 16.234 1.00 40.47 C +ATOM 593 CD PRO A 76 -28.498 -39.701 14.988 1.00 40.47 C +ATOM 594 N PRO A 77 -30.638 -35.774 15.997 1.00 31.55 N +ATOM 595 CA PRO A 77 -30.354 -34.415 16.459 1.00 31.55 C +ATOM 596 C PRO A 77 -29.734 -34.419 17.861 1.00 31.55 C +ATOM 597 CB PRO A 77 -31.704 -33.689 16.423 1.00 31.55 C +ATOM 598 O PRO A 77 -30.160 -35.179 18.729 1.00 31.55 O +ATOM 599 CG PRO A 77 -32.699 -34.793 16.773 1.00 31.55 C +ATOM 600 CD PRO A 77 -32.060 -36.056 16.193 1.00 31.55 C +ATOM 601 N SER A 78 -28.754 -33.543 18.102 1.00 33.97 N +ATOM 602 CA SER A 78 -28.184 -33.308 19.436 1.00 33.97 C +ATOM 603 C SER A 78 -28.320 -31.834 19.849 1.00 33.97 C +ATOM 604 CB SER A 78 -26.733 -33.779 19.522 1.00 33.97 C +ATOM 605 O SER A 78 -28.244 -30.958 18.985 1.00 33.97 O +ATOM 606 OG SER A 78 -26.689 -35.181 19.359 1.00 33.97 O +ATOM 607 N PRO A 79 -28.562 -31.545 21.142 1.00 31.77 N +ATOM 608 CA PRO A 79 -29.095 -30.274 21.617 1.00 31.77 C +ATOM 609 C PRO A 79 -28.006 -29.317 22.132 1.00 31.77 C +ATOM 610 CB PRO A 79 -30.072 -30.692 22.722 1.00 31.77 C +ATOM 611 O PRO A 79 -26.971 -29.750 22.621 1.00 31.77 O +ATOM 612 CG PRO A 79 -29.436 -31.941 23.337 1.00 31.77 C +ATOM 613 CD PRO A 79 -28.482 -32.470 22.270 1.00 31.77 C +ATOM 614 N SER A 80 -28.292 -28.010 22.051 1.00 30.05 N +ATOM 615 CA SER A 80 -27.792 -26.918 22.912 1.00 30.05 C +ATOM 616 C SER A 80 -26.391 -27.064 23.530 1.00 30.05 C +ATOM 617 CB SER A 80 -28.805 -26.703 24.052 1.00 30.05 C +ATOM 618 O SER A 80 -26.257 -27.733 24.550 1.00 30.05 O +ATOM 619 OG SER A 80 -29.034 -27.908 24.757 1.00 30.05 O +ATOM 620 N GLN A 81 -25.393 -26.312 23.044 1.00 33.97 N +ATOM 621 CA GLN A 81 -24.229 -25.940 23.861 1.00 33.97 C +ATOM 622 C GLN A 81 -23.515 -24.678 23.349 1.00 33.97 C +ATOM 623 CB GLN A 81 -23.275 -27.134 24.061 1.00 33.97 C +ATOM 624 O GLN A 81 -23.396 -24.426 22.153 1.00 33.97 O +ATOM 625 CG GLN A 81 -23.306 -27.622 25.525 1.00 33.97 C +ATOM 626 CD GLN A 81 -22.751 -29.030 25.697 1.00 33.97 C +ATOM 627 NE2 GLN A 81 -23.187 -29.764 26.697 1.00 33.97 N +ATOM 628 OE1 GLN A 81 -21.896 -29.489 24.963 1.00 33.97 O +ATOM 629 N GLN A 82 -23.127 -23.860 24.324 1.00 28.11 N +ATOM 630 CA GLN A 82 -22.603 -22.500 24.254 1.00 28.11 C +ATOM 631 C GLN A 82 -21.306 -22.394 23.439 1.00 28.11 C +ATOM 632 CB GLN A 82 -22.306 -22.079 25.706 1.00 28.11 C +ATOM 633 O GLN A 82 -20.357 -23.136 23.679 1.00 28.11 O +ATOM 634 CG GLN A 82 -23.548 -21.932 26.608 1.00 28.11 C +ATOM 635 CD GLN A 82 -23.232 -22.114 28.093 1.00 28.11 C +ATOM 636 NE2 GLN A 82 -23.841 -21.356 28.977 1.00 28.11 N +ATOM 637 OE1 GLN A 82 -22.470 -22.974 28.495 1.00 28.11 O +ATOM 638 N ILE A 83 -21.221 -21.399 22.551 1.00 32.69 N +ATOM 639 CA ILE A 83 -19.949 -20.991 21.943 1.00 32.69 C +ATOM 640 C ILE A 83 -19.261 -20.021 22.907 1.00 32.69 C +ATOM 641 CB ILE A 83 -20.142 -20.417 20.521 1.00 32.69 C +ATOM 642 O ILE A 83 -19.676 -18.875 23.069 1.00 32.69 O +ATOM 643 CG1 ILE A 83 -20.796 -21.484 19.610 1.00 32.69 C +ATOM 644 CG2 ILE A 83 -18.785 -19.968 19.942 1.00 32.69 C +ATOM 645 CD1 ILE A 83 -21.136 -20.991 18.198 1.00 32.69 C +ATOM 646 N ASN A 84 -18.221 -20.525 23.566 1.00 31.00 N +ATOM 647 CA ASN A 84 -17.321 -19.785 24.438 1.00 31.00 C +ATOM 648 C ASN A 84 -16.335 -18.977 23.569 1.00 31.00 C +ATOM 649 CB ASN A 84 -16.651 -20.830 25.358 1.00 31.00 C +ATOM 650 O ASN A 84 -15.496 -19.553 22.876 1.00 31.00 O +ATOM 651 CG ASN A 84 -16.005 -20.249 26.600 1.00 31.00 C +ATOM 652 ND2 ASN A 84 -15.589 -21.087 27.521 1.00 31.00 N +ATOM 653 OD1 ASN A 84 -15.891 -19.053 26.780 1.00 31.00 O +ATOM 654 N LEU A 85 -16.476 -17.648 23.552 1.00 32.69 N +ATOM 655 CA LEU A 85 -15.526 -16.723 22.926 1.00 32.69 C +ATOM 656 C LEU A 85 -14.340 -16.581 23.892 1.00 32.69 C +ATOM 657 CB LEU A 85 -16.220 -15.368 22.668 1.00 32.69 C +ATOM 658 O LEU A 85 -14.514 -16.050 24.982 1.00 32.69 O +ATOM 659 CG LEU A 85 -17.343 -15.399 21.612 1.00 32.69 C +ATOM 660 CD1 LEU A 85 -18.199 -14.135 21.716 1.00 32.69 C +ATOM 661 CD2 LEU A 85 -16.787 -15.474 20.187 1.00 32.69 C +ATOM 662 N GLY A 86 -13.178 -17.125 23.524 1.00 32.25 N +ATOM 663 CA GLY A 86 -12.016 -17.283 24.407 1.00 32.25 C +ATOM 664 C GLY A 86 -11.531 -16.014 25.149 1.00 32.25 C +ATOM 665 O GLY A 86 -11.921 -14.896 24.819 1.00 32.25 O +ATOM 666 N PRO A 87 -10.634 -16.179 26.141 1.00 32.75 N +ATOM 667 CA PRO A 87 -10.327 -15.201 27.199 1.00 32.75 C +ATOM 668 C PRO A 87 -9.500 -13.959 26.786 1.00 32.75 C +ATOM 669 CB PRO A 87 -9.681 -16.034 28.320 1.00 32.75 C +ATOM 670 O PRO A 87 -8.811 -13.377 27.617 1.00 32.75 O +ATOM 671 CG PRO A 87 -9.004 -17.175 27.568 1.00 32.75 C +ATOM 672 CD PRO A 87 -9.973 -17.444 26.425 1.00 32.75 C +ATOM 673 N SER A 88 -9.579 -13.507 25.533 1.00 37.31 N +ATOM 674 CA SER A 88 -8.943 -12.266 25.045 1.00 37.31 C +ATOM 675 C SER A 88 -9.935 -11.233 24.486 1.00 37.31 C +ATOM 676 CB SER A 88 -7.815 -12.592 24.062 1.00 37.31 C +ATOM 677 O SER A 88 -9.536 -10.243 23.877 1.00 37.31 O +ATOM 678 OG SER A 88 -8.270 -13.431 23.014 1.00 37.31 O +ATOM 679 N SER A 89 -11.238 -11.420 24.713 1.00 34.53 N +ATOM 680 CA SER A 89 -12.282 -10.462 24.345 1.00 34.53 C +ATOM 681 C SER A 89 -12.416 -9.337 25.376 1.00 34.53 C +ATOM 682 CB SER A 89 -13.619 -11.203 24.208 1.00 34.53 C +ATOM 683 O SER A 89 -12.845 -9.593 26.500 1.00 34.53 O +ATOM 684 OG SER A 89 -13.940 -11.879 25.408 1.00 34.53 O +ATOM 685 N ASN A 90 -12.183 -8.084 24.982 1.00 44.47 N +ATOM 686 CA ASN A 90 -12.908 -6.975 25.601 1.00 44.47 C +ATOM 687 C ASN A 90 -14.368 -7.080 25.106 1.00 44.47 C +ATOM 688 CB ASN A 90 -12.218 -5.644 25.242 1.00 44.47 C +ATOM 689 O ASN A 90 -14.592 -6.979 23.891 1.00 44.47 O +ATOM 690 CG ASN A 90 -12.660 -4.489 26.127 1.00 44.47 C +ATOM 691 ND2 ASN A 90 -12.043 -3.340 25.984 1.00 44.47 N +ATOM 692 OD1 ASN A 90 -13.546 -4.606 26.956 1.00 44.47 O +ATOM 693 N PRO A 91 -15.361 -7.390 25.963 1.00 50.88 N +ATOM 694 CA PRO A 91 -16.724 -7.630 25.521 1.00 50.88 C +ATOM 695 C PRO A 91 -17.382 -6.305 25.120 1.00 50.88 C +ATOM 696 CB PRO A 91 -17.415 -8.379 26.662 1.00 50.88 C +ATOM 697 O PRO A 91 -18.043 -5.631 25.903 1.00 50.88 O +ATOM 698 CG PRO A 91 -16.681 -7.870 27.898 1.00 50.88 C +ATOM 699 CD PRO A 91 -15.265 -7.581 27.402 1.00 50.88 C +ATOM 700 N HIS A 92 -17.249 -6.040 23.821 1.00 63.78 N +ATOM 701 CA HIS A 92 -18.131 -5.261 22.959 1.00 63.78 C +ATOM 702 C HIS A 92 -17.911 -3.747 22.932 1.00 63.78 C +ATOM 703 CB HIS A 92 -19.599 -5.668 23.184 1.00 63.78 C +ATOM 704 O HIS A 92 -18.664 -2.987 23.538 1.00 63.78 O +ATOM 705 CG HIS A 92 -19.809 -7.161 23.167 1.00 63.78 C +ATOM 706 CD2 HIS A 92 -20.160 -7.950 24.229 1.00 63.78 C +ATOM 707 ND1 HIS A 92 -19.590 -7.995 22.095 1.00 63.78 N +ATOM 708 CE1 HIS A 92 -19.808 -9.257 22.500 1.00 63.78 C +ATOM 709 NE2 HIS A 92 -20.167 -9.278 23.790 1.00 63.78 N +ATOM 710 N ALA A 93 -16.999 -3.317 22.050 1.00 75.69 N +ATOM 711 CA ALA A 93 -17.188 -2.055 21.340 1.00 75.69 C +ATOM 712 C ALA A 93 -18.593 -2.057 20.716 1.00 75.69 C +ATOM 713 CB ALA A 93 -16.100 -1.889 20.270 1.00 75.69 C +ATOM 714 O ALA A 93 -18.979 -2.991 20.001 1.00 75.69 O +ATOM 715 N LYS A 94 -19.381 -1.035 21.029 1.00 84.56 N +ATOM 716 CA LYS A 94 -20.771 -0.892 20.591 1.00 84.56 C +ATOM 717 C LYS A 94 -20.967 0.477 19.949 1.00 84.56 C +ATOM 718 CB LYS A 94 -21.741 -1.179 21.760 1.00 84.56 C +ATOM 719 O LYS A 94 -20.258 1.428 20.271 1.00 84.56 O +ATOM 720 CG LYS A 94 -21.377 -0.399 23.026 1.00 84.56 C +ATOM 721 CD LYS A 94 -22.300 -0.630 24.222 1.00 84.56 C +ATOM 722 CE LYS A 94 -21.710 0.204 25.366 1.00 84.56 C +ATOM 723 NZ LYS A 94 -22.369 -0.058 26.662 1.00 84.56 N +ATOM 724 N PRO A 95 -21.984 0.638 19.082 1.00 85.75 N +ATOM 725 CA PRO A 95 -22.257 1.928 18.457 1.00 85.75 C +ATOM 726 C PRO A 95 -22.388 3.095 19.453 1.00 85.75 C +ATOM 727 CB PRO A 95 -23.567 1.718 17.699 1.00 85.75 C +ATOM 728 O PRO A 95 -22.055 4.224 19.115 1.00 85.75 O +ATOM 729 CG PRO A 95 -23.645 0.223 17.417 1.00 85.75 C +ATOM 730 CD PRO A 95 -22.887 -0.397 18.587 1.00 85.75 C +ATOM 731 N SER A 96 -22.857 2.841 20.682 1.00 88.31 N +ATOM 732 CA SER A 96 -23.020 3.872 21.713 1.00 88.31 C +ATOM 733 C SER A 96 -21.709 4.415 22.285 1.00 88.31 C +ATOM 734 CB SER A 96 -23.878 3.343 22.863 1.00 88.31 C +ATOM 735 O SER A 96 -21.753 5.440 22.966 1.00 88.31 O +ATOM 736 OG SER A 96 -23.256 2.234 23.474 1.00 88.31 O +ATOM 737 N ASP A 97 -20.573 3.766 22.032 1.00 89.62 N +ATOM 738 CA ASP A 97 -19.252 4.215 22.501 1.00 89.62 C +ATOM 739 C ASP A 97 -18.681 5.323 21.607 1.00 89.62 C +ATOM 740 CB ASP A 97 -18.287 3.025 22.582 1.00 89.62 C +ATOM 741 O ASP A 97 -17.705 5.984 21.956 1.00 89.62 O +ATOM 742 CG ASP A 97 -18.836 1.873 23.425 1.00 89.62 C +ATOM 743 OD1 ASP A 97 -19.697 2.118 24.314 1.00 89.62 O +ATOM 744 OD2 ASP A 97 -18.498 0.720 23.087 1.00 89.62 O +ATOM 745 N PHE A 98 -19.333 5.580 20.472 1.00 92.75 N +ATOM 746 CA PHE A 98 -18.920 6.563 19.484 1.00 92.75 C +ATOM 747 C PHE A 98 -19.927 7.708 19.400 1.00 92.75 C +ATOM 748 CB PHE A 98 -18.714 5.870 18.133 1.00 92.75 C +ATOM 749 O PHE A 98 -21.143 7.531 19.515 1.00 92.75 O +ATOM 750 CG PHE A 98 -17.648 4.791 18.172 1.00 92.75 C +ATOM 751 CD1 PHE A 98 -16.300 5.112 17.916 1.00 92.75 C +ATOM 752 CD2 PHE A 98 -17.995 3.476 18.538 1.00 92.75 C +ATOM 753 CE1 PHE A 98 -15.307 4.124 18.040 1.00 92.75 C +ATOM 754 CE2 PHE A 98 -17.001 2.494 18.674 1.00 92.75 C +ATOM 755 CZ PHE A 98 -15.655 2.819 18.431 1.00 92.75 C +ATOM 756 N HIS A 99 -19.416 8.911 19.175 1.00 93.56 N +ATOM 757 CA HIS A 99 -20.203 10.052 18.744 1.00 93.56 C +ATOM 758 C HIS A 99 -20.036 10.216 17.229 1.00 93.56 C +ATOM 759 CB HIS A 99 -19.780 11.282 19.551 1.00 93.56 C +ATOM 760 O HIS A 99 -18.974 10.616 16.760 1.00 93.56 O +ATOM 761 CG HIS A 99 -20.665 12.464 19.276 1.00 93.56 C +ATOM 762 CD2 HIS A 99 -20.270 13.656 18.745 1.00 93.56 C +ATOM 763 ND1 HIS A 99 -22.020 12.552 19.505 1.00 93.56 N +ATOM 764 CE1 HIS A 99 -22.429 13.768 19.107 1.00 93.56 C +ATOM 765 NE2 HIS A 99 -21.397 14.475 18.633 1.00 93.56 N +ATOM 766 N PHE A 100 -21.067 9.855 16.460 1.00 93.62 N +ATOM 767 CA PHE A 100 -21.065 9.963 14.998 1.00 93.62 C +ATOM 768 C PHE A 100 -21.319 11.412 14.578 1.00 93.62 C +ATOM 769 CB PHE A 100 -22.124 9.031 14.396 1.00 93.62 C +ATOM 770 O PHE A 100 -22.390 11.954 14.838 1.00 93.62 O +ATOM 771 CG PHE A 100 -21.906 7.567 14.709 1.00 93.62 C +ATOM 772 CD1 PHE A 100 -21.011 6.810 13.932 1.00 93.62 C +ATOM 773 CD2 PHE A 100 -22.578 6.966 15.789 1.00 93.62 C +ATOM 774 CE1 PHE A 100 -20.793 5.455 14.234 1.00 93.62 C +ATOM 775 CE2 PHE A 100 -22.355 5.612 16.091 1.00 93.62 C +ATOM 776 CZ PHE A 100 -21.460 4.855 15.316 1.00 93.62 C +ATOM 777 N LEU A 101 -20.334 12.024 13.927 1.00 93.19 N +ATOM 778 CA LEU A 101 -20.295 13.460 13.663 1.00 93.19 C +ATOM 779 C LEU A 101 -20.817 13.808 12.270 1.00 93.19 C +ATOM 780 CB LEU A 101 -18.844 13.936 13.842 1.00 93.19 C +ATOM 781 O LEU A 101 -21.735 14.615 12.131 1.00 93.19 O +ATOM 782 CG LEU A 101 -18.373 13.919 15.305 1.00 93.19 C +ATOM 783 CD1 LEU A 101 -16.859 14.036 15.358 1.00 93.19 C +ATOM 784 CD2 LEU A 101 -18.967 15.100 16.067 1.00 93.19 C +ATOM 785 N LYS A 102 -20.220 13.218 11.230 1.00 94.06 N +ATOM 786 CA LYS A 102 -20.477 13.570 9.827 1.00 94.06 C +ATOM 787 C LYS A 102 -20.362 12.358 8.916 1.00 94.06 C +ATOM 788 CB LYS A 102 -19.492 14.672 9.379 1.00 94.06 C +ATOM 789 O LYS A 102 -19.576 11.457 9.188 1.00 94.06 O +ATOM 790 CG LYS A 102 -19.835 16.078 9.906 1.00 94.06 C +ATOM 791 CD LYS A 102 -21.202 16.546 9.394 1.00 94.06 C +ATOM 792 CE LYS A 102 -21.389 18.055 9.548 1.00 94.06 C +ATOM 793 NZ LYS A 102 -22.486 18.517 8.663 1.00 94.06 N +ATOM 794 N VAL A 103 -21.127 12.341 7.827 1.00 94.12 N +ATOM 795 CA VAL A 103 -20.898 11.395 6.729 1.00 94.12 C +ATOM 796 C VAL A 103 -19.712 11.913 5.915 1.00 94.12 C +ATOM 797 CB VAL A 103 -22.163 11.209 5.868 1.00 94.12 C +ATOM 798 O VAL A 103 -19.678 13.081 5.544 1.00 94.12 O +ATOM 799 CG1 VAL A 103 -21.922 10.193 4.744 1.00 94.12 C +ATOM 800 CG2 VAL A 103 -23.344 10.703 6.714 1.00 94.12 C +ATOM 801 N ILE A 104 -18.718 11.060 5.681 1.00 92.88 N +ATOM 802 CA ILE A 104 -17.497 11.407 4.933 1.00 92.88 C +ATOM 803 C ILE A 104 -17.350 10.602 3.641 1.00 92.88 C +ATOM 804 CB ILE A 104 -16.244 11.305 5.828 1.00 92.88 C +ATOM 805 O ILE A 104 -16.512 10.918 2.807 1.00 92.88 O +ATOM 806 CG1 ILE A 104 -16.016 9.882 6.384 1.00 92.88 C +ATOM 807 CG2 ILE A 104 -16.335 12.351 6.951 1.00 92.88 C +ATOM 808 CD1 ILE A 104 -14.696 9.730 7.150 1.00 92.88 C +ATOM 809 N GLY A 105 -18.188 9.583 3.448 1.00 89.69 N +ATOM 810 CA GLY A 105 -18.218 8.807 2.217 1.00 89.69 C +ATOM 811 C GLY A 105 -19.413 7.866 2.145 1.00 89.69 C +ATOM 812 O GLY A 105 -20.088 7.581 3.142 1.00 89.69 O +ATOM 813 N LYS A 106 -19.670 7.348 0.945 1.00 88.19 N +ATOM 814 CA LYS A 106 -20.759 6.408 0.671 1.00 88.19 C +ATOM 815 C LYS A 106 -20.270 5.291 -0.240 1.00 88.19 C +ATOM 816 CB LYS A 106 -21.937 7.186 0.077 1.00 88.19 C +ATOM 817 O LYS A 106 -19.711 5.549 -1.299 1.00 88.19 O +ATOM 818 CG LYS A 106 -23.200 6.326 -0.079 1.00 88.19 C +ATOM 819 CD LYS A 106 -24.331 7.215 -0.604 1.00 88.19 C +ATOM 820 CE LYS A 106 -25.623 6.427 -0.831 1.00 88.19 C +ATOM 821 NZ LYS A 106 -26.673 7.324 -1.376 1.00 88.19 N +ATOM 822 N GLY A 107 -20.516 4.054 0.175 1.00 81.31 N +ATOM 823 CA GLY A 107 -20.159 2.851 -0.567 1.00 81.31 C +ATOM 824 C GLY A 107 -21.379 2.107 -1.106 1.00 81.31 C +ATOM 825 O GLY A 107 -22.530 2.504 -0.921 1.00 81.31 O +ATOM 826 N SER A 108 -21.121 0.968 -1.744 1.00 77.44 N +ATOM 827 CA SER A 108 -22.138 0.089 -2.337 1.00 77.44 C +ATOM 828 C SER A 108 -23.081 -0.560 -1.315 1.00 77.44 C +ATOM 829 CB SER A 108 -21.420 -1.009 -3.127 1.00 77.44 C +ATOM 830 O SER A 108 -24.229 -0.853 -1.656 1.00 77.44 O +ATOM 831 OG SER A 108 -20.449 -1.598 -2.291 1.00 77.44 O +ATOM 832 N PHE A 109 -22.612 -0.786 -0.083 1.00 84.81 N +ATOM 833 CA PHE A 109 -23.364 -1.463 0.985 1.00 84.81 C +ATOM 834 C PHE A 109 -23.617 -0.583 2.214 1.00 84.81 C +ATOM 835 CB PHE A 109 -22.628 -2.742 1.412 1.00 84.81 C +ATOM 836 O PHE A 109 -24.172 -1.063 3.206 1.00 84.81 O +ATOM 837 CG PHE A 109 -22.192 -3.641 0.282 1.00 84.81 C +ATOM 838 CD1 PHE A 109 -23.119 -4.496 -0.340 1.00 84.81 C +ATOM 839 CD2 PHE A 109 -20.843 -3.657 -0.116 1.00 84.81 C +ATOM 840 CE1 PHE A 109 -22.684 -5.346 -1.370 1.00 84.81 C +ATOM 841 CE2 PHE A 109 -20.429 -4.475 -1.176 1.00 84.81 C +ATOM 842 CZ PHE A 109 -21.356 -5.296 -1.824 1.00 84.81 C +ATOM 843 N GLY A 110 -23.183 0.679 2.198 1.00 90.19 N +ATOM 844 CA GLY A 110 -23.083 1.439 3.434 1.00 90.19 C +ATOM 845 C GLY A 110 -22.537 2.851 3.307 1.00 90.19 C +ATOM 846 O GLY A 110 -22.427 3.409 2.216 1.00 90.19 O +ATOM 847 N LYS A 111 -22.207 3.427 4.460 1.00 93.06 N +ATOM 848 CA LYS A 111 -21.657 4.778 4.597 1.00 93.06 C +ATOM 849 C LYS A 111 -20.390 4.748 5.433 1.00 93.06 C +ATOM 850 CB LYS A 111 -22.677 5.719 5.245 1.00 93.06 C +ATOM 851 O LYS A 111 -20.242 3.876 6.283 1.00 93.06 O +ATOM 852 CG LYS A 111 -23.953 5.886 4.412 1.00 93.06 C +ATOM 853 CD LYS A 111 -24.790 7.001 5.039 1.00 93.06 C +ATOM 854 CE LYS A 111 -26.071 7.249 4.251 1.00 93.06 C +ATOM 855 NZ LYS A 111 -26.566 8.600 4.562 1.00 93.06 N +ATOM 856 N VAL A 112 -19.522 5.724 5.221 1.00 94.19 N +ATOM 857 CA VAL A 112 -18.366 5.985 6.075 1.00 94.19 C +ATOM 858 C VAL A 112 -18.654 7.261 6.851 1.00 94.19 C +ATOM 859 CB VAL A 112 -17.060 6.075 5.269 1.00 94.19 C +ATOM 860 O VAL A 112 -19.039 8.274 6.264 1.00 94.19 O +ATOM 861 CG1 VAL A 112 -15.861 6.108 6.222 1.00 94.19 C +ATOM 862 CG2 VAL A 112 -16.888 4.864 4.341 1.00 94.19 C +ATOM 863 N LEU A 113 -18.528 7.196 8.172 1.00 95.38 N +ATOM 864 CA LEU A 113 -18.804 8.310 9.070 1.00 95.38 C +ATOM 865 C LEU A 113 -17.540 8.711 9.822 1.00 95.38 C +ATOM 866 CB LEU A 113 -19.931 7.955 10.055 1.00 95.38 C +ATOM 867 O LEU A 113 -16.830 7.848 10.321 1.00 95.38 O +ATOM 868 CG LEU A 113 -21.258 7.568 9.375 1.00 95.38 C +ATOM 869 CD1 LEU A 113 -21.464 6.053 9.330 1.00 95.38 C +ATOM 870 CD2 LEU A 113 -22.441 8.149 10.143 1.00 95.38 C +ATOM 871 N LEU A 114 -17.310 10.010 9.976 1.00 95.94 N +ATOM 872 CA LEU A 114 -16.409 10.518 11.001 1.00 95.94 C +ATOM 873 C LEU A 114 -17.074 10.305 12.363 1.00 95.94 C +ATOM 874 CB LEU A 114 -16.118 12.002 10.728 1.00 95.94 C +ATOM 875 O LEU A 114 -18.203 10.759 12.579 1.00 95.94 O +ATOM 876 CG LEU A 114 -15.260 12.683 11.809 1.00 95.94 C +ATOM 877 CD1 LEU A 114 -13.885 12.036 11.942 1.00 95.94 C +ATOM 878 CD2 LEU A 114 -15.075 14.161 11.472 1.00 95.94 C +ATOM 879 N ALA A 115 -16.383 9.641 13.282 1.00 95.56 N +ATOM 880 CA ALA A 115 -16.850 9.453 14.646 1.00 95.56 C +ATOM 881 C ALA A 115 -15.743 9.741 15.659 1.00 95.56 C +ATOM 882 CB ALA A 115 -17.413 8.038 14.801 1.00 95.56 C +ATOM 883 O ALA A 115 -14.573 9.502 15.385 1.00 95.56 O +ATOM 884 N ARG A 116 -16.117 10.230 16.840 1.00 95.19 N +ATOM 885 CA ARG A 116 -15.211 10.396 17.982 1.00 95.19 C +ATOM 886 C ARG A 116 -15.469 9.284 18.989 1.00 95.19 C +ATOM 887 CB ARG A 116 -15.392 11.799 18.571 1.00 95.19 C +ATOM 888 O ARG A 116 -16.619 9.091 19.389 1.00 95.19 O +ATOM 889 CG ARG A 116 -14.300 12.196 19.578 1.00 95.19 C +ATOM 890 CD ARG A 116 -14.610 13.618 20.063 1.00 95.19 C +ATOM 891 NE ARG A 116 -13.515 14.222 20.846 1.00 95.19 N +ATOM 892 NH1 ARG A 116 -14.835 15.340 22.365 1.00 95.19 N +ATOM 893 NH2 ARG A 116 -12.662 15.452 22.587 1.00 95.19 N +ATOM 894 CZ ARG A 116 -13.670 15.015 21.897 1.00 95.19 C +ATOM 895 N HIS A 117 -14.441 8.540 19.373 1.00 92.88 N +ATOM 896 CA HIS A 117 -14.554 7.550 20.439 1.00 92.88 C +ATOM 897 C HIS A 117 -14.652 8.273 21.785 1.00 92.88 C +ATOM 898 CB HIS A 117 -13.362 6.596 20.369 1.00 92.88 C +ATOM 899 O HIS A 117 -13.813 9.111 22.094 1.00 92.88 O +ATOM 900 CG HIS A 117 -13.388 5.523 21.420 1.00 92.88 C +ATOM 901 CD2 HIS A 117 -14.460 4.757 21.789 1.00 92.88 C +ATOM 902 ND1 HIS A 117 -12.307 5.083 22.145 1.00 92.88 N +ATOM 903 CE1 HIS A 117 -12.725 4.097 22.953 1.00 92.88 C +ATOM 904 NE2 HIS A 117 -14.043 3.886 22.794 1.00 92.88 N +ATOM 905 N LYS A 118 -15.696 7.995 22.572 1.00 91.88 N +ATOM 906 CA LYS A 118 -16.026 8.795 23.764 1.00 91.88 C +ATOM 907 C LYS A 118 -15.004 8.676 24.893 1.00 91.88 C +ATOM 908 CB LYS A 118 -17.402 8.380 24.294 1.00 91.88 C +ATOM 909 O LYS A 118 -14.880 9.609 25.675 1.00 91.88 O +ATOM 910 CG LYS A 118 -18.547 8.814 23.373 1.00 91.88 C +ATOM 911 CD LYS A 118 -19.853 8.240 23.919 1.00 91.88 C +ATOM 912 CE LYS A 118 -21.020 8.649 23.026 1.00 91.88 C +ATOM 913 NZ LYS A 118 -22.273 8.059 23.539 1.00 91.88 N +ATOM 914 N ALA A 119 -14.335 7.530 25.015 1.00 89.75 N +ATOM 915 CA ALA A 119 -13.384 7.288 26.098 1.00 89.75 C +ATOM 916 C ALA A 119 -12.009 7.909 25.806 1.00 89.75 C +ATOM 917 CB ALA A 119 -13.294 5.777 26.338 1.00 89.75 C +ATOM 918 O ALA A 119 -11.433 8.562 26.668 1.00 89.75 O +ATOM 919 N GLU A 120 -11.504 7.722 24.585 1.00 88.81 N +ATOM 920 CA GLU A 120 -10.164 8.176 24.180 1.00 88.81 C +ATOM 921 C GLU A 120 -10.176 9.571 23.549 1.00 88.81 C +ATOM 922 CB GLU A 120 -9.599 7.176 23.172 1.00 88.81 C +ATOM 923 O GLU A 120 -9.131 10.189 23.376 1.00 88.81 O +ATOM 924 CG GLU A 120 -9.329 5.784 23.778 1.00 88.81 C +ATOM 925 CD GLU A 120 -9.315 4.677 22.718 1.00 88.81 C +ATOM 926 OE1 GLU A 120 -9.381 3.498 23.122 1.00 88.81 O +ATOM 927 OE2 GLU A 120 -9.499 5.010 21.527 1.00 88.81 O +ATOM 928 N GLU A 121 -11.353 10.067 23.166 1.00 91.19 N +ATOM 929 CA GLU A 121 -11.548 11.342 22.479 1.00 91.19 C +ATOM 930 C GLU A 121 -10.837 11.460 21.115 1.00 91.19 C +ATOM 931 CB GLU A 121 -11.291 12.499 23.463 1.00 91.19 C +ATOM 932 O GLU A 121 -10.721 12.557 20.558 1.00 91.19 O +ATOM 933 CG GLU A 121 -12.302 12.566 24.631 1.00 91.19 C +ATOM 934 CD GLU A 121 -13.706 13.046 24.217 1.00 91.19 C +ATOM 935 OE1 GLU A 121 -14.216 14.024 24.804 1.00 91.19 O +ATOM 936 OE2 GLU A 121 -14.249 12.629 23.175 1.00 91.19 O +ATOM 937 N VAL A 122 -10.452 10.310 20.548 1.00 92.94 N +ATOM 938 CA VAL A 122 -9.814 10.128 19.236 1.00 92.94 C +ATOM 939 C VAL A 122 -10.862 10.039 18.123 1.00 92.94 C +ATOM 940 CB VAL A 122 -8.895 8.884 19.251 1.00 92.94 C +ATOM 941 O VAL A 122 -11.971 9.533 18.317 1.00 92.94 O +ATOM 942 CG1 VAL A 122 -8.226 8.608 17.897 1.00 92.94 C +ATOM 943 CG2 VAL A 122 -7.757 9.057 20.265 1.00 92.94 C +ATOM 944 N PHE A 123 -10.512 10.548 16.940 1.00 95.25 N +ATOM 945 CA PHE A 123 -11.358 10.512 15.748 1.00 95.25 C +ATOM 946 C PHE A 123 -11.049 9.293 14.877 1.00 95.25 C +ATOM 947 CB PHE A 123 -11.213 11.811 14.949 1.00 95.25 C +ATOM 948 O PHE A 123 -9.892 8.986 14.608 1.00 95.25 O +ATOM 949 CG PHE A 123 -11.737 13.037 15.671 1.00 95.25 C +ATOM 950 CD1 PHE A 123 -13.067 13.461 15.489 1.00 95.25 C +ATOM 951 CD2 PHE A 123 -10.896 13.744 16.549 1.00 95.25 C +ATOM 952 CE1 PHE A 123 -13.539 14.596 16.176 1.00 95.25 C +ATOM 953 CE2 PHE A 123 -11.375 14.867 17.245 1.00 95.25 C +ATOM 954 CZ PHE A 123 -12.699 15.293 17.059 1.00 95.25 C +ATOM 955 N TYR A 124 -12.105 8.654 14.382 1.00 95.44 N +ATOM 956 CA TYR A 124 -12.057 7.459 13.548 1.00 95.44 C +ATOM 957 C TYR A 124 -12.964 7.589 12.325 1.00 95.44 C +ATOM 958 CB TYR A 124 -12.476 6.244 14.378 1.00 95.44 C +ATOM 959 O TYR A 124 -13.986 8.285 12.353 1.00 95.44 O +ATOM 960 CG TYR A 124 -11.512 5.903 15.491 1.00 95.44 C +ATOM 961 CD1 TYR A 124 -10.247 5.387 15.159 1.00 95.44 C +ATOM 962 CD2 TYR A 124 -11.854 6.117 16.842 1.00 95.44 C +ATOM 963 CE1 TYR A 124 -9.330 5.068 16.169 1.00 95.44 C +ATOM 964 CE2 TYR A 124 -10.934 5.776 17.855 1.00 95.44 C +ATOM 965 OH TYR A 124 -8.808 4.890 18.492 1.00 95.44 O +ATOM 966 CZ TYR A 124 -9.678 5.238 17.518 1.00 95.44 C +ATOM 967 N ALA A 125 -12.622 6.855 11.268 1.00 95.56 N +ATOM 968 CA ALA A 125 -13.505 6.611 10.138 1.00 95.56 C +ATOM 969 C ALA A 125 -14.278 5.306 10.375 1.00 95.56 C +ATOM 970 CB ALA A 125 -12.673 6.579 8.852 1.00 95.56 C +ATOM 971 O ALA A 125 -13.709 4.217 10.394 1.00 95.56 O +ATOM 972 N VAL A 126 -15.595 5.398 10.555 1.00 95.06 N +ATOM 973 CA VAL A 126 -16.458 4.243 10.814 1.00 95.06 C +ATOM 974 C VAL A 126 -17.214 3.851 9.548 1.00 95.06 C +ATOM 975 CB VAL A 126 -17.387 4.456 12.021 1.00 95.06 C +ATOM 976 O VAL A 126 -18.175 4.518 9.157 1.00 95.06 O +ATOM 977 CG1 VAL A 126 -18.086 3.132 12.366 1.00 95.06 C +ATOM 978 CG2 VAL A 126 -16.603 4.900 13.261 1.00 95.06 C +ATOM 979 N LYS A 127 -16.802 2.752 8.909 1.00 94.12 N +ATOM 980 CA LYS A 127 -17.488 2.151 7.752 1.00 94.12 C +ATOM 981 C LYS A 127 -18.635 1.279 8.266 1.00 94.12 C +ATOM 982 CB LYS A 127 -16.457 1.410 6.871 1.00 94.12 C +ATOM 983 O LYS A 127 -18.414 0.239 8.883 1.00 94.12 O +ATOM 984 CG LYS A 127 -16.974 0.769 5.564 1.00 94.12 C +ATOM 985 CD LYS A 127 -15.804 0.131 4.766 1.00 94.12 C +ATOM 986 CE LYS A 127 -16.176 -0.497 3.402 1.00 94.12 C +ATOM 987 NZ LYS A 127 -14.994 -1.077 2.682 1.00 94.12 N +ATOM 988 N VAL A 128 -19.868 1.725 8.027 1.00 94.12 N +ATOM 989 CA VAL A 128 -21.103 1.064 8.466 1.00 94.12 C +ATOM 990 C VAL A 128 -21.793 0.412 7.279 1.00 94.12 C +ATOM 991 CB VAL A 128 -22.064 2.031 9.179 1.00 94.12 C +ATOM 992 O VAL A 128 -22.261 1.107 6.376 1.00 94.12 O +ATOM 993 CG1 VAL A 128 -23.250 1.242 9.751 1.00 94.12 C +ATOM 994 CG2 VAL A 128 -21.361 2.746 10.333 1.00 94.12 C +ATOM 995 N LEU A 129 -21.898 -0.916 7.301 1.00 93.00 N +ATOM 996 CA LEU A 129 -22.452 -1.726 6.215 1.00 93.00 C +ATOM 997 C LEU A 129 -23.759 -2.399 6.632 1.00 93.00 C +ATOM 998 CB LEU A 129 -21.437 -2.786 5.767 1.00 93.00 C +ATOM 999 O LEU A 129 -23.908 -2.834 7.772 1.00 93.00 O +ATOM 1000 CG LEU A 129 -20.003 -2.296 5.503 1.00 93.00 C +ATOM 1001 CD1 LEU A 129 -19.142 -3.498 5.137 1.00 93.00 C +ATOM 1002 CD2 LEU A 129 -19.955 -1.293 4.351 1.00 93.00 C +ATOM 1003 N GLN A 130 -24.706 -2.528 5.706 1.00 92.06 N +ATOM 1004 CA GLN A 130 -25.986 -3.190 5.965 1.00 92.06 C +ATOM 1005 C GLN A 130 -25.908 -4.687 5.644 1.00 92.06 C +ATOM 1006 CB GLN A 130 -27.093 -2.518 5.143 1.00 92.06 C +ATOM 1007 O GLN A 130 -25.745 -5.060 4.480 1.00 92.06 O +ATOM 1008 CG GLN A 130 -27.300 -1.041 5.509 1.00 92.06 C +ATOM 1009 CD GLN A 130 -28.436 -0.402 4.717 1.00 92.06 C +ATOM 1010 NE2 GLN A 130 -28.619 0.896 4.826 1.00 92.06 N +ATOM 1011 OE1 GLN A 130 -29.188 -1.041 4.000 1.00 92.06 O +ATOM 1012 N LYS A 131 -26.125 -5.555 6.643 1.00 90.94 N +ATOM 1013 CA LYS A 131 -26.065 -7.022 6.474 1.00 90.94 C +ATOM 1014 C LYS A 131 -27.009 -7.519 5.382 1.00 90.94 C +ATOM 1015 CB LYS A 131 -26.402 -7.726 7.795 1.00 90.94 C +ATOM 1016 O LYS A 131 -26.609 -8.284 4.511 1.00 90.94 O +ATOM 1017 CG LYS A 131 -25.296 -7.582 8.845 1.00 90.94 C +ATOM 1018 CD LYS A 131 -25.714 -8.319 10.120 1.00 90.94 C +ATOM 1019 CE LYS A 131 -24.543 -8.427 11.089 1.00 90.94 C +ATOM 1020 NZ LYS A 131 -24.944 -9.135 12.319 1.00 90.94 N +ATOM 1021 N LYS A 132 -28.247 -7.010 5.370 1.00 89.44 N +ATOM 1022 CA LYS A 132 -29.253 -7.356 4.351 1.00 89.44 C +ATOM 1023 C LYS A 132 -28.786 -7.030 2.927 1.00 89.44 C +ATOM 1024 CB LYS A 132 -30.588 -6.648 4.645 1.00 89.44 C +ATOM 1025 O LYS A 132 -29.055 -7.799 2.010 1.00 89.44 O +ATOM 1026 CG LYS A 132 -31.285 -7.189 5.903 1.00 89.44 C +ATOM 1027 CD LYS A 132 -32.695 -6.598 6.059 1.00 89.44 C +ATOM 1028 CE LYS A 132 -33.390 -7.232 7.272 1.00 89.44 C +ATOM 1029 NZ LYS A 132 -34.798 -6.781 7.419 1.00 89.44 N +ATOM 1030 N ALA A 133 -28.090 -5.906 2.735 1.00 90.50 N +ATOM 1031 CA ALA A 133 -27.591 -5.501 1.422 1.00 90.50 C +ATOM 1032 C ALA A 133 -26.422 -6.382 0.954 1.00 90.50 C +ATOM 1033 CB ALA A 133 -27.194 -4.020 1.472 1.00 90.50 C +ATOM 1034 O ALA A 133 -26.360 -6.717 -0.229 1.00 90.50 O +ATOM 1035 N ILE A 134 -25.540 -6.777 1.879 1.00 90.06 N +ATOM 1036 CA ILE A 134 -24.414 -7.684 1.614 1.00 90.06 C +ATOM 1037 C ILE A 134 -24.934 -9.067 1.202 1.00 90.06 C +ATOM 1038 CB ILE A 134 -23.487 -7.765 2.850 1.00 90.06 C +ATOM 1039 O ILE A 134 -24.585 -9.556 0.130 1.00 90.06 O +ATOM 1040 CG1 ILE A 134 -22.832 -6.398 3.156 1.00 90.06 C +ATOM 1041 CG2 ILE A 134 -22.381 -8.813 2.625 1.00 90.06 C +ATOM 1042 CD1 ILE A 134 -22.302 -6.306 4.593 1.00 90.06 C +ATOM 1043 N LEU A 135 -25.839 -9.653 1.992 1.00 89.94 N +ATOM 1044 CA LEU A 135 -26.397 -10.987 1.731 1.00 89.94 C +ATOM 1045 C LEU A 135 -27.201 -11.037 0.431 1.00 89.94 C +ATOM 1046 CB LEU A 135 -27.291 -11.400 2.909 1.00 89.94 C +ATOM 1047 O LEU A 135 -27.075 -11.984 -0.340 1.00 89.94 O +ATOM 1048 CG LEU A 135 -26.494 -11.639 4.197 1.00 89.94 C +ATOM 1049 CD1 LEU A 135 -27.449 -11.682 5.378 1.00 89.94 C +ATOM 1050 CD2 LEU A 135 -25.692 -12.936 4.162 1.00 89.94 C +ATOM 1051 N LYS A 136 -27.974 -9.983 0.127 1.00 90.06 N +ATOM 1052 CA LYS A 136 -28.705 -9.882 -1.148 1.00 90.06 C +ATOM 1053 C LYS A 136 -27.766 -9.948 -2.360 1.00 90.06 C +ATOM 1054 CB LYS A 136 -29.568 -8.605 -1.158 1.00 90.06 C +ATOM 1055 O LYS A 136 -28.176 -10.431 -3.412 1.00 90.06 O +ATOM 1056 CG LYS A 136 -30.406 -8.498 -2.445 1.00 90.06 C +ATOM 1057 CD LYS A 136 -31.438 -7.361 -2.435 1.00 90.06 C +ATOM 1058 CE LYS A 136 -32.229 -7.433 -3.755 1.00 90.06 C +ATOM 1059 NZ LYS A 136 -33.425 -6.553 -3.785 1.00 90.06 N +ATOM 1060 N LYS A 137 -26.534 -9.451 -2.224 1.00 87.81 N +ATOM 1061 CA LYS A 137 -25.515 -9.454 -3.282 1.00 87.81 C +ATOM 1062 C LYS A 137 -24.533 -10.632 -3.189 1.00 87.81 C +ATOM 1063 CB LYS A 137 -24.801 -8.095 -3.303 1.00 87.81 C +ATOM 1064 O LYS A 137 -23.750 -10.787 -4.116 1.00 87.81 O +ATOM 1065 CG LYS A 137 -25.702 -6.977 -3.860 1.00 87.81 C +ATOM 1066 CD LYS A 137 -24.960 -5.634 -3.892 1.00 87.81 C +ATOM 1067 CE LYS A 137 -25.665 -4.583 -4.748 1.00 87.81 C +ATOM 1068 NZ LYS A 137 -24.835 -3.357 -4.851 1.00 87.81 N +ATOM 1069 N LYS A 138 -24.629 -11.483 -2.157 1.00 88.75 N +ATOM 1070 CA LYS A 138 -23.731 -12.626 -1.888 1.00 88.75 C +ATOM 1071 C LYS A 138 -22.263 -12.220 -1.683 1.00 88.75 C +ATOM 1072 CB LYS A 138 -23.893 -13.730 -2.943 1.00 88.75 C +ATOM 1073 O LYS A 138 -21.344 -12.843 -2.206 1.00 88.75 O +ATOM 1074 CG LYS A 138 -25.339 -14.212 -3.107 1.00 88.75 C +ATOM 1075 CD LYS A 138 -25.366 -15.342 -4.139 1.00 88.75 C +ATOM 1076 CE LYS A 138 -26.788 -15.878 -4.300 1.00 88.75 C +ATOM 1077 NZ LYS A 138 -26.813 -17.027 -5.239 1.00 88.75 N +ATOM 1078 N GLU A 139 -22.060 -11.123 -0.959 1.00 87.12 N +ATOM 1079 CA GLU A 139 -20.755 -10.468 -0.779 1.00 87.12 C +ATOM 1080 C GLU A 139 -20.158 -10.720 0.619 1.00 87.12 C +ATOM 1081 CB GLU A 139 -20.922 -8.979 -1.122 1.00 87.12 C +ATOM 1082 O GLU A 139 -19.152 -10.125 1.000 1.00 87.12 O +ATOM 1083 CG GLU A 139 -21.196 -8.794 -2.628 1.00 87.12 C +ATOM 1084 CD GLU A 139 -19.948 -8.844 -3.516 1.00 87.12 C +ATOM 1085 OE1 GLU A 139 -20.102 -9.101 -4.727 1.00 87.12 O +ATOM 1086 OE2 GLU A 139 -18.851 -8.550 -3.000 1.00 87.12 O +ATOM 1087 N GLU A 140 -20.755 -11.619 1.407 1.00 88.94 N +ATOM 1088 CA GLU A 140 -20.343 -11.911 2.783 1.00 88.94 C +ATOM 1089 C GLU A 140 -18.891 -12.392 2.882 1.00 88.94 C +ATOM 1090 CB GLU A 140 -21.323 -12.895 3.458 1.00 88.94 C +ATOM 1091 O GLU A 140 -18.154 -11.960 3.770 1.00 88.94 O +ATOM 1092 CG GLU A 140 -21.439 -14.319 2.865 1.00 88.94 C +ATOM 1093 CD GLU A 140 -22.227 -14.433 1.548 1.00 88.94 C +ATOM 1094 OE1 GLU A 140 -22.210 -15.539 0.964 1.00 88.94 O +ATOM 1095 OE2 GLU A 140 -22.818 -13.418 1.106 1.00 88.94 O +ATOM 1096 N LYS A 141 -18.442 -13.211 1.922 1.00 85.56 N +ATOM 1097 CA LYS A 141 -17.061 -13.710 1.871 1.00 85.56 C +ATOM 1098 C LYS A 141 -16.050 -12.585 1.644 1.00 85.56 C +ATOM 1099 CB LYS A 141 -16.916 -14.785 0.784 1.00 85.56 C +ATOM 1100 O LYS A 141 -14.981 -12.616 2.248 1.00 85.56 O +ATOM 1101 CG LYS A 141 -17.707 -16.060 1.110 1.00 85.56 C +ATOM 1102 CD LYS A 141 -17.454 -17.142 0.052 1.00 85.56 C +ATOM 1103 CE LYS A 141 -18.273 -18.392 0.393 1.00 85.56 C +ATOM 1104 NZ LYS A 141 -18.073 -19.475 -0.603 1.00 85.56 N +ATOM 1105 N HIS A 142 -16.383 -11.596 0.812 1.00 83.56 N +ATOM 1106 CA HIS A 142 -15.509 -10.448 0.563 1.00 83.56 C +ATOM 1107 C HIS A 142 -15.400 -9.560 1.804 1.00 83.56 C +ATOM 1108 CB HIS A 142 -15.998 -9.653 -0.654 1.00 83.56 C +ATOM 1109 O HIS A 142 -14.293 -9.204 2.189 1.00 83.56 O +ATOM 1110 CG HIS A 142 -15.920 -10.390 -1.970 1.00 83.56 C +ATOM 1111 CD2 HIS A 142 -15.068 -11.402 -2.326 1.00 83.56 C +ATOM 1112 ND1 HIS A 142 -16.673 -10.109 -3.079 1.00 83.56 N +ATOM 1113 CE1 HIS A 142 -16.310 -10.932 -4.070 1.00 83.56 C +ATOM 1114 NE2 HIS A 142 -15.329 -11.755 -3.658 1.00 83.56 N +ATOM 1115 N ILE A 143 -16.512 -9.298 2.502 1.00 88.44 N +ATOM 1116 CA ILE A 143 -16.492 -8.513 3.748 1.00 88.44 C +ATOM 1117 C ILE A 143 -15.687 -9.210 4.854 1.00 88.44 C +ATOM 1118 CB ILE A 143 -17.934 -8.207 4.208 1.00 88.44 C +ATOM 1119 O ILE A 143 -14.932 -8.559 5.576 1.00 88.44 O +ATOM 1120 CG1 ILE A 143 -18.732 -7.385 3.169 1.00 88.44 C +ATOM 1121 CG2 ILE A 143 -17.943 -7.472 5.559 1.00 88.44 C +ATOM 1122 CD1 ILE A 143 -18.073 -6.076 2.713 1.00 88.44 C +ATOM 1123 N MET A 144 -15.813 -10.534 4.990 1.00 88.00 N +ATOM 1124 CA MET A 144 -15.016 -11.288 5.964 1.00 88.00 C +ATOM 1125 C MET A 144 -13.528 -11.322 5.594 1.00 88.00 C +ATOM 1126 CB MET A 144 -15.582 -12.705 6.137 1.00 88.00 C +ATOM 1127 O MET A 144 -12.688 -11.235 6.487 1.00 88.00 O +ATOM 1128 CG MET A 144 -16.938 -12.709 6.861 1.00 88.00 C +ATOM 1129 SD MET A 144 -16.955 -12.005 8.540 1.00 88.00 S +ATOM 1130 CE MET A 144 -15.964 -13.234 9.435 1.00 88.00 C +ATOM 1131 N SER A 145 -13.186 -11.392 4.302 1.00 84.75 N +ATOM 1132 CA SER A 145 -11.790 -11.296 3.855 1.00 84.75 C +ATOM 1133 C SER A 145 -11.213 -9.894 4.073 1.00 84.75 C +ATOM 1134 CB SER A 145 -11.653 -11.733 2.398 1.00 84.75 C +ATOM 1135 O SER A 145 -10.117 -9.786 4.610 1.00 84.75 O +ATOM 1136 OG SER A 145 -10.293 -11.930 2.053 1.00 84.75 O +ATOM 1137 N GLU A 146 -11.967 -8.821 3.792 1.00 87.75 N +ATOM 1138 CA GLU A 146 -11.572 -7.437 4.115 1.00 87.75 C +ATOM 1139 C GLU A 146 -11.228 -7.305 5.603 1.00 87.75 C +ATOM 1140 CB GLU A 146 -12.710 -6.458 3.747 1.00 87.75 C +ATOM 1141 O GLU A 146 -10.169 -6.795 5.967 1.00 87.75 O +ATOM 1142 CG GLU A 146 -12.310 -4.983 3.952 1.00 87.75 C +ATOM 1143 CD GLU A 146 -13.386 -3.944 3.575 1.00 87.75 C +ATOM 1144 OE1 GLU A 146 -13.081 -2.729 3.628 1.00 87.75 O +ATOM 1145 OE2 GLU A 146 -14.551 -4.287 3.268 1.00 87.75 O +ATOM 1146 N ARG A 147 -12.095 -7.838 6.473 1.00 89.12 N +ATOM 1147 CA ARG A 147 -11.869 -7.879 7.921 1.00 89.12 C +ATOM 1148 C ARG A 147 -10.604 -8.648 8.286 1.00 89.12 C +ATOM 1149 CB ARG A 147 -13.141 -8.427 8.596 1.00 89.12 C +ATOM 1150 O ARG A 147 -9.845 -8.181 9.128 1.00 89.12 O +ATOM 1151 CG ARG A 147 -13.109 -8.430 10.133 1.00 89.12 C +ATOM 1152 CD ARG A 147 -12.523 -9.739 10.667 1.00 89.12 C +ATOM 1153 NE ARG A 147 -12.667 -9.846 12.124 1.00 89.12 N +ATOM 1154 NH1 ARG A 147 -11.569 -11.856 12.320 1.00 89.12 N +ATOM 1155 NH2 ARG A 147 -12.286 -10.784 14.155 1.00 89.12 N +ATOM 1156 CZ ARG A 147 -12.185 -10.832 12.856 1.00 89.12 C +ATOM 1157 N ASN A 148 -10.365 -9.808 7.684 1.00 87.50 N +ATOM 1158 CA ASN A 148 -9.181 -10.614 7.980 1.00 87.50 C +ATOM 1159 C ASN A 148 -7.883 -9.938 7.517 1.00 87.50 C +ATOM 1160 CB ASN A 148 -9.348 -11.993 7.340 1.00 87.50 C +ATOM 1161 O ASN A 148 -6.911 -9.939 8.268 1.00 87.50 O +ATOM 1162 CG ASN A 148 -10.428 -12.839 7.985 1.00 87.50 C +ATOM 1163 ND2 ASN A 148 -10.848 -13.862 7.280 1.00 87.50 N +ATOM 1164 OD1 ASN A 148 -10.875 -12.628 9.111 1.00 87.50 O +ATOM 1165 N VAL A 149 -7.880 -9.308 6.339 1.00 86.00 N +ATOM 1166 CA VAL A 149 -6.753 -8.503 5.839 1.00 86.00 C +ATOM 1167 C VAL A 149 -6.467 -7.345 6.788 1.00 86.00 C +ATOM 1168 CB VAL A 149 -7.040 -7.986 4.415 1.00 86.00 C +ATOM 1169 O VAL A 149 -5.341 -7.184 7.244 1.00 86.00 O +ATOM 1170 CG1 VAL A 149 -6.016 -6.945 3.941 1.00 86.00 C +ATOM 1171 CG2 VAL A 149 -7.034 -9.152 3.421 1.00 86.00 C +ATOM 1172 N LEU A 150 -7.499 -6.592 7.167 1.00 87.38 N +ATOM 1173 CA LEU A 150 -7.380 -5.479 8.106 1.00 87.38 C +ATOM 1174 C LEU A 150 -6.834 -5.896 9.481 1.00 87.38 C +ATOM 1175 CB LEU A 150 -8.765 -4.844 8.252 1.00 87.38 C +ATOM 1176 O LEU A 150 -6.107 -5.128 10.101 1.00 87.38 O +ATOM 1177 CG LEU A 150 -9.130 -3.826 7.161 1.00 87.38 C +ATOM 1178 CD1 LEU A 150 -10.605 -3.454 7.314 1.00 87.38 C +ATOM 1179 CD2 LEU A 150 -8.301 -2.544 7.287 1.00 87.38 C +ATOM 1180 N LEU A 151 -7.143 -7.108 9.951 1.00 85.00 N +ATOM 1181 CA LEU A 151 -6.554 -7.649 11.180 1.00 85.00 C +ATOM 1182 C LEU A 151 -5.110 -8.109 11.025 1.00 85.00 C +ATOM 1183 CB LEU A 151 -7.365 -8.846 11.663 1.00 85.00 C +ATOM 1184 O LEU A 151 -4.340 -8.015 11.976 1.00 85.00 O +ATOM 1185 CG LEU A 151 -8.703 -8.468 12.280 1.00 85.00 C +ATOM 1186 CD1 LEU A 151 -9.323 -9.765 12.745 1.00 85.00 C +ATOM 1187 CD2 LEU A 151 -8.600 -7.575 13.506 1.00 85.00 C +ATOM 1188 N LYS A 152 -4.750 -8.636 9.852 1.00 79.50 N +ATOM 1189 CA LYS A 152 -3.373 -9.026 9.526 1.00 79.50 C +ATOM 1190 C LYS A 152 -2.470 -7.819 9.280 1.00 79.50 C +ATOM 1191 CB LYS A 152 -3.370 -9.926 8.287 1.00 79.50 C +ATOM 1192 O LYS A 152 -1.256 -7.956 9.399 1.00 79.50 O +ATOM 1193 CG LYS A 152 -3.872 -11.344 8.578 1.00 79.50 C +ATOM 1194 CD LYS A 152 -3.935 -12.116 7.258 1.00 79.50 C +ATOM 1195 CE LYS A 152 -4.307 -13.580 7.484 1.00 79.50 C +ATOM 1196 NZ LYS A 152 -4.427 -14.278 6.184 1.00 79.50 N +ATOM 1197 N ASN A 153 -3.040 -6.658 8.959 1.00 67.62 N +ATOM 1198 CA ASN A 153 -2.321 -5.410 8.699 1.00 67.62 C +ATOM 1199 C ASN A 153 -1.787 -4.779 9.996 1.00 67.62 C +ATOM 1200 CB ASN A 153 -3.223 -4.460 7.890 1.00 67.62 C +ATOM 1201 O ASN A 153 -2.134 -3.657 10.364 1.00 67.62 O +ATOM 1202 CG ASN A 153 -3.380 -4.860 6.436 1.00 67.62 C +ATOM 1203 ND2 ASN A 153 -4.232 -4.170 5.715 1.00 67.62 N +ATOM 1204 OD1 ASN A 153 -2.716 -5.741 5.916 1.00 67.62 O +ATOM 1205 N VAL A 154 -0.925 -5.505 10.707 1.00 59.69 N +ATOM 1206 CA VAL A 154 -0.446 -5.136 12.041 1.00 59.69 C +ATOM 1207 C VAL A 154 0.684 -4.099 11.957 1.00 59.69 C +ATOM 1208 CB VAL A 154 -0.079 -6.377 12.895 1.00 59.69 C +ATOM 1209 O VAL A 154 1.797 -4.365 12.392 1.00 59.69 O +ATOM 1210 CG1 VAL A 154 -0.012 -6.009 14.387 1.00 59.69 C +ATOM 1211 CG2 VAL A 154 -1.107 -7.511 12.796 1.00 59.69 C +ATOM 1212 N LYS A 155 0.360 -2.871 11.516 1.00 76.31 N +ATOM 1213 CA LYS A 155 1.153 -1.625 11.698 1.00 76.31 C +ATOM 1214 C LYS A 155 2.080 -1.184 10.545 1.00 76.31 C +ATOM 1215 CB LYS A 155 1.900 -1.588 13.060 1.00 76.31 C +ATOM 1216 O LYS A 155 3.101 -0.551 10.806 1.00 76.31 O +ATOM 1217 CG LYS A 155 1.095 -1.975 14.318 1.00 76.31 C +ATOM 1218 CD LYS A 155 2.035 -2.210 15.510 1.00 76.31 C +ATOM 1219 CE LYS A 155 1.220 -2.589 16.754 1.00 76.31 C +ATOM 1220 NZ LYS A 155 2.019 -2.498 18.006 1.00 76.31 N +ATOM 1221 N HIS A 156 1.748 -1.439 9.275 1.00 92.69 N +ATOM 1222 CA HIS A 156 2.476 -0.762 8.186 1.00 92.69 C +ATOM 1223 C HIS A 156 2.053 0.725 8.097 1.00 92.69 C +ATOM 1224 CB HIS A 156 2.306 -1.488 6.848 1.00 92.69 C +ATOM 1225 O HIS A 156 0.858 0.998 8.003 1.00 92.69 O +ATOM 1226 CG HIS A 156 3.229 -0.962 5.774 1.00 92.69 C +ATOM 1227 CD2 HIS A 156 4.470 -1.445 5.449 1.00 92.69 C +ATOM 1228 ND1 HIS A 156 2.987 0.112 4.948 1.00 92.69 N +ATOM 1229 CE1 HIS A 156 4.059 0.273 4.156 1.00 92.69 C +ATOM 1230 NE2 HIS A 156 4.988 -0.655 4.416 1.00 92.69 N +ATOM 1231 N PRO A 157 2.991 1.693 8.068 1.00 94.88 N +ATOM 1232 CA PRO A 157 2.721 3.140 8.190 1.00 94.88 C +ATOM 1233 C PRO A 157 1.878 3.753 7.061 1.00 94.88 C +ATOM 1234 CB PRO A 157 4.111 3.795 8.214 1.00 94.88 C +ATOM 1235 O PRO A 157 1.363 4.863 7.216 1.00 94.88 O +ATOM 1236 CG PRO A 157 4.975 2.790 7.464 1.00 94.88 C +ATOM 1237 CD PRO A 157 4.421 1.471 7.958 1.00 94.88 C +ATOM 1238 N PHE A 158 1.778 3.050 5.930 1.00 96.94 N +ATOM 1239 CA PHE A 158 1.073 3.478 4.715 1.00 96.94 C +ATOM 1240 C PHE A 158 -0.166 2.623 4.400 1.00 96.94 C +ATOM 1241 CB PHE A 158 2.056 3.514 3.533 1.00 96.94 C +ATOM 1242 O PHE A 158 -0.663 2.640 3.276 1.00 96.94 O +ATOM 1243 CG PHE A 158 3.361 4.246 3.781 1.00 96.94 C +ATOM 1244 CD1 PHE A 158 3.370 5.485 4.448 1.00 96.94 C +ATOM 1245 CD2 PHE A 158 4.572 3.703 3.310 1.00 96.94 C +ATOM 1246 CE1 PHE A 158 4.581 6.162 4.655 1.00 96.94 C +ATOM 1247 CE2 PHE A 158 5.788 4.360 3.551 1.00 96.94 C +ATOM 1248 CZ PHE A 158 5.785 5.596 4.216 1.00 96.94 C +ATOM 1249 N LEU A 159 -0.655 1.842 5.366 1.00 95.75 N +ATOM 1250 CA LEU A 159 -1.910 1.092 5.272 1.00 95.75 C +ATOM 1251 C LEU A 159 -2.870 1.588 6.352 1.00 95.75 C +ATOM 1252 CB LEU A 159 -1.646 -0.414 5.454 1.00 95.75 C +ATOM 1253 O LEU A 159 -2.441 1.836 7.476 1.00 95.75 O +ATOM 1254 CG LEU A 159 -0.792 -1.082 4.364 1.00 95.75 C +ATOM 1255 CD1 LEU A 159 -0.695 -2.579 4.641 1.00 95.75 C +ATOM 1256 CD2 LEU A 159 -1.380 -0.924 2.966 1.00 95.75 C +ATOM 1257 N VAL A 160 -4.161 1.709 6.033 1.00 94.00 N +ATOM 1258 CA VAL A 160 -5.168 2.051 7.044 1.00 94.00 C +ATOM 1259 C VAL A 160 -5.291 0.915 8.068 1.00 94.00 C +ATOM 1260 CB VAL A 160 -6.512 2.461 6.404 1.00 94.00 C +ATOM 1261 O VAL A 160 -5.433 -0.258 7.708 1.00 94.00 O +ATOM 1262 CG1 VAL A 160 -7.299 1.324 5.758 1.00 94.00 C +ATOM 1263 CG2 VAL A 160 -7.435 3.147 7.407 1.00 94.00 C +ATOM 1264 N GLY A 161 -5.224 1.266 9.348 1.00 91.25 N +ATOM 1265 CA GLY A 161 -5.363 0.354 10.473 1.00 91.25 C +ATOM 1266 C GLY A 161 -6.818 0.137 10.880 1.00 91.25 C +ATOM 1267 O GLY A 161 -7.663 1.030 10.777 1.00 91.25 O +ATOM 1268 N LEU A 162 -7.106 -1.068 11.378 1.00 91.56 N +ATOM 1269 CA LEU A 162 -8.378 -1.424 12.004 1.00 91.56 C +ATOM 1270 C LEU A 162 -8.243 -1.388 13.525 1.00 91.56 C +ATOM 1271 CB LEU A 162 -8.815 -2.800 11.485 1.00 91.56 C +ATOM 1272 O LEU A 162 -7.516 -2.188 14.111 1.00 91.56 O +ATOM 1273 CG LEU A 162 -10.099 -3.378 12.108 1.00 91.56 C +ATOM 1274 CD1 LEU A 162 -11.328 -2.574 11.686 1.00 91.56 C +ATOM 1275 CD2 LEU A 162 -10.334 -4.819 11.651 1.00 91.56 C +ATOM 1276 N HIS A 163 -9.005 -0.499 14.157 1.00 90.00 N +ATOM 1277 CA HIS A 163 -9.063 -0.366 15.613 1.00 90.00 C +ATOM 1278 C HIS A 163 -10.128 -1.268 16.205 1.00 90.00 C +ATOM 1279 CB HIS A 163 -9.323 1.090 16.001 1.00 90.00 C +ATOM 1280 O HIS A 163 -9.863 -2.006 17.135 1.00 90.00 O +ATOM 1281 CG HIS A 163 -8.142 1.960 15.706 1.00 90.00 C +ATOM 1282 CD2 HIS A 163 -7.795 2.447 14.483 1.00 90.00 C +ATOM 1283 ND1 HIS A 163 -7.178 2.331 16.643 1.00 90.00 N +ATOM 1284 CE1 HIS A 163 -6.257 3.025 15.959 1.00 90.00 C +ATOM 1285 NE2 HIS A 163 -6.609 3.113 14.668 1.00 90.00 N +ATOM 1286 N PHE A 164 -11.334 -1.270 15.647 1.00 89.06 N +ATOM 1287 CA PHE A 164 -12.413 -2.122 16.139 1.00 89.06 C +ATOM 1288 C PHE A 164 -13.215 -2.658 14.967 1.00 89.06 C +ATOM 1289 CB PHE A 164 -13.319 -1.365 17.127 1.00 89.06 C +ATOM 1290 O PHE A 164 -13.441 -1.960 13.982 1.00 89.06 O +ATOM 1291 CG PHE A 164 -12.593 -0.628 18.239 1.00 89.06 C +ATOM 1292 CD1 PHE A 164 -12.244 -1.301 19.424 1.00 89.06 C +ATOM 1293 CD2 PHE A 164 -12.233 0.724 18.081 1.00 89.06 C +ATOM 1294 CE1 PHE A 164 -11.541 -0.625 20.438 1.00 89.06 C +ATOM 1295 CE2 PHE A 164 -11.536 1.402 19.095 1.00 89.06 C +ATOM 1296 CZ PHE A 164 -11.188 0.726 20.275 1.00 89.06 C +ATOM 1297 N SER A 165 -13.725 -3.875 15.090 1.00 90.31 N +ATOM 1298 CA SER A 165 -14.841 -4.316 14.260 1.00 90.31 C +ATOM 1299 C SER A 165 -15.923 -4.891 15.153 1.00 90.31 C +ATOM 1300 CB SER A 165 -14.410 -5.253 13.129 1.00 90.31 C +ATOM 1301 O SER A 165 -15.653 -5.636 16.088 1.00 90.31 O +ATOM 1302 OG SER A 165 -13.616 -6.305 13.613 1.00 90.31 O +ATOM 1303 N PHE A 166 -17.168 -4.499 14.930 1.00 90.12 N +ATOM 1304 CA PHE A 166 -18.296 -4.982 15.719 1.00 90.12 C +ATOM 1305 C PHE A 166 -19.564 -4.990 14.879 1.00 90.12 C +ATOM 1306 CB PHE A 166 -18.455 -4.161 17.010 1.00 90.12 C +ATOM 1307 O PHE A 166 -19.631 -4.422 13.790 1.00 90.12 O +ATOM 1308 CG PHE A 166 -18.661 -2.674 16.808 1.00 90.12 C +ATOM 1309 CD1 PHE A 166 -17.557 -1.805 16.857 1.00 90.12 C +ATOM 1310 CD2 PHE A 166 -19.950 -2.153 16.589 1.00 90.12 C +ATOM 1311 CE1 PHE A 166 -17.741 -0.423 16.697 1.00 90.12 C +ATOM 1312 CE2 PHE A 166 -20.123 -0.771 16.405 1.00 90.12 C +ATOM 1313 CZ PHE A 166 -19.022 0.098 16.464 1.00 90.12 C +ATOM 1314 N GLN A 167 -20.593 -5.666 15.366 1.00 90.50 N +ATOM 1315 CA GLN A 167 -21.825 -5.852 14.615 1.00 90.50 C +ATOM 1316 C GLN A 167 -23.051 -5.662 15.495 1.00 90.50 C +ATOM 1317 CB GLN A 167 -21.802 -7.211 13.906 1.00 90.50 C +ATOM 1318 O GLN A 167 -23.043 -5.989 16.679 1.00 90.50 O +ATOM 1319 CG GLN A 167 -21.634 -8.429 14.829 1.00 90.50 C +ATOM 1320 CD GLN A 167 -21.637 -9.725 14.026 1.00 90.50 C +ATOM 1321 NE2 GLN A 167 -20.719 -10.630 14.270 1.00 90.50 N +ATOM 1322 OE1 GLN A 167 -22.477 -9.925 13.163 1.00 90.50 O +ATOM 1323 N THR A 168 -24.119 -5.155 14.890 1.00 86.81 N +ATOM 1324 CA THR A 168 -25.473 -5.186 15.450 1.00 86.81 C +ATOM 1325 C THR A 168 -26.272 -6.289 14.763 1.00 86.81 C +ATOM 1326 CB THR A 168 -26.180 -3.824 15.314 1.00 86.81 C +ATOM 1327 O THR A 168 -25.764 -7.016 13.903 1.00 86.81 O +ATOM 1328 CG2 THR A 168 -25.437 -2.724 16.074 1.00 86.81 C +ATOM 1329 OG1 THR A 168 -26.306 -3.459 13.955 1.00 86.81 O +ATOM 1330 N ALA A 169 -27.551 -6.420 15.109 1.00 84.12 N +ATOM 1331 CA ALA A 169 -28.451 -7.356 14.443 1.00 84.12 C +ATOM 1332 C ALA A 169 -28.495 -7.140 12.911 1.00 84.12 C +ATOM 1333 CB ALA A 169 -29.824 -7.183 15.101 1.00 84.12 C +ATOM 1334 O ALA A 169 -28.554 -8.095 12.146 1.00 84.12 O +ATOM 1335 N ASP A 170 -28.399 -5.891 12.450 1.00 87.31 N +ATOM 1336 CA ASP A 170 -28.642 -5.485 11.063 1.00 87.31 C +ATOM 1337 C ASP A 170 -27.432 -4.862 10.339 1.00 87.31 C +ATOM 1338 CB ASP A 170 -29.840 -4.519 11.070 1.00 87.31 C +ATOM 1339 O ASP A 170 -27.465 -4.733 9.109 1.00 87.31 O +ATOM 1340 CG ASP A 170 -29.559 -3.187 11.788 1.00 87.31 C +ATOM 1341 OD1 ASP A 170 -28.812 -3.168 12.797 1.00 87.31 O +ATOM 1342 OD2 ASP A 170 -30.048 -2.140 11.307 1.00 87.31 O +ATOM 1343 N LYS A 171 -26.370 -4.479 11.060 1.00 91.06 N +ATOM 1344 CA LYS A 171 -25.218 -3.756 10.502 1.00 91.06 C +ATOM 1345 C LYS A 171 -23.877 -4.332 10.955 1.00 91.06 C +ATOM 1346 CB LYS A 171 -25.296 -2.255 10.844 1.00 91.06 C +ATOM 1347 O LYS A 171 -23.776 -4.966 12.005 1.00 91.06 O +ATOM 1348 CG LYS A 171 -26.571 -1.556 10.348 1.00 91.06 C +ATOM 1349 CD LYS A 171 -26.566 -0.072 10.740 1.00 91.06 C +ATOM 1350 CE LYS A 171 -27.939 0.602 10.625 1.00 91.06 C +ATOM 1351 NZ LYS A 171 -28.808 0.268 11.779 1.00 91.06 N +ATOM 1352 N LEU A 172 -22.851 -4.072 10.154 1.00 92.00 N +ATOM 1353 CA LEU A 172 -21.440 -4.302 10.460 1.00 92.00 C +ATOM 1354 C LEU A 172 -20.730 -2.952 10.563 1.00 92.00 C +ATOM 1355 CB LEU A 172 -20.795 -5.152 9.356 1.00 92.00 C +ATOM 1356 O LEU A 172 -21.065 -2.028 9.820 1.00 92.00 O +ATOM 1357 CG LEU A 172 -21.448 -6.517 9.108 1.00 92.00 C +ATOM 1358 CD1 LEU A 172 -20.764 -7.191 7.931 1.00 92.00 C +ATOM 1359 CD2 LEU A 172 -21.357 -7.432 10.324 1.00 92.00 C +ATOM 1360 N TYR A 173 -19.759 -2.852 11.462 1.00 92.75 N +ATOM 1361 CA TYR A 173 -18.993 -1.643 11.734 1.00 92.75 C +ATOM 1362 C TYR A 173 -17.505 -1.966 11.677 1.00 92.75 C +ATOM 1363 CB TYR A 173 -19.356 -1.094 13.123 1.00 92.75 C +ATOM 1364 O TYR A 173 -17.038 -2.814 12.434 1.00 92.75 O +ATOM 1365 CG TYR A 173 -20.787 -0.615 13.274 1.00 92.75 C +ATOM 1366 CD1 TYR A 173 -21.054 0.765 13.287 1.00 92.75 C +ATOM 1367 CD2 TYR A 173 -21.842 -1.534 13.441 1.00 92.75 C +ATOM 1368 CE1 TYR A 173 -22.371 1.234 13.416 1.00 92.75 C +ATOM 1369 CE2 TYR A 173 -23.166 -1.072 13.572 1.00 92.75 C +ATOM 1370 OH TYR A 173 -24.696 0.786 13.665 1.00 92.75 O +ATOM 1371 CZ TYR A 173 -23.430 0.313 13.548 1.00 92.75 C +ATOM 1372 N PHE A 174 -16.769 -1.267 10.819 1.00 92.69 N +ATOM 1373 CA PHE A 174 -15.311 -1.192 10.873 1.00 92.69 C +ATOM 1374 C PHE A 174 -14.920 0.185 11.389 1.00 92.69 C +ATOM 1375 CB PHE A 174 -14.705 -1.398 9.486 1.00 92.69 C +ATOM 1376 O PHE A 174 -15.360 1.185 10.825 1.00 92.69 O +ATOM 1377 CG PHE A 174 -14.956 -2.746 8.863 1.00 92.69 C +ATOM 1378 CD1 PHE A 174 -13.969 -3.733 8.980 1.00 92.69 C +ATOM 1379 CD2 PHE A 174 -16.123 -2.999 8.114 1.00 92.69 C +ATOM 1380 CE1 PHE A 174 -14.123 -4.952 8.315 1.00 92.69 C +ATOM 1381 CE2 PHE A 174 -16.276 -4.234 7.458 1.00 92.69 C +ATOM 1382 CZ PHE A 174 -15.261 -5.201 7.537 1.00 92.69 C +ATOM 1383 N VAL A 175 -14.111 0.239 12.438 1.00 93.50 N +ATOM 1384 CA VAL A 175 -13.539 1.468 12.989 1.00 93.50 C +ATOM 1385 C VAL A 175 -12.089 1.540 12.540 1.00 93.50 C +ATOM 1386 CB VAL A 175 -13.653 1.511 14.519 1.00 93.50 C +ATOM 1387 O VAL A 175 -11.258 0.754 12.991 1.00 93.50 O +ATOM 1388 CG1 VAL A 175 -13.194 2.872 15.044 1.00 93.50 C +ATOM 1389 CG2 VAL A 175 -15.097 1.290 14.984 1.00 93.50 C +ATOM 1390 N LEU A 176 -11.822 2.448 11.612 1.00 94.06 N +ATOM 1391 CA LEU A 176 -10.556 2.597 10.904 1.00 94.06 C +ATOM 1392 C LEU A 176 -9.886 3.921 11.277 1.00 94.06 C +ATOM 1393 CB LEU A 176 -10.828 2.545 9.387 1.00 94.06 C +ATOM 1394 O LEU A 176 -10.560 4.833 11.772 1.00 94.06 O +ATOM 1395 CG LEU A 176 -11.585 1.303 8.884 1.00 94.06 C +ATOM 1396 CD1 LEU A 176 -11.913 1.456 7.399 1.00 94.06 C +ATOM 1397 CD2 LEU A 176 -10.773 0.026 9.071 1.00 94.06 C +ATOM 1398 N ASP A 177 -8.591 4.054 10.983 1.00 93.94 N +ATOM 1399 CA ASP A 177 -7.908 5.349 11.089 1.00 93.94 C +ATOM 1400 C ASP A 177 -8.669 6.438 10.324 1.00 93.94 C +ATOM 1401 CB ASP A 177 -6.472 5.313 10.551 1.00 93.94 C +ATOM 1402 O ASP A 177 -9.113 6.248 9.186 1.00 93.94 O +ATOM 1403 CG ASP A 177 -5.551 4.387 11.326 1.00 93.94 C +ATOM 1404 OD1 ASP A 177 -5.598 4.442 12.570 1.00 93.94 O +ATOM 1405 OD2 ASP A 177 -4.805 3.636 10.669 1.00 93.94 O +ATOM 1406 N TYR A 178 -8.808 7.609 10.946 1.00 95.12 N +ATOM 1407 CA TYR A 178 -9.314 8.783 10.252 1.00 95.12 C +ATOM 1408 C TYR A 178 -8.178 9.508 9.528 1.00 95.12 C +ATOM 1409 CB TYR A 178 -10.049 9.711 11.217 1.00 95.12 C +ATOM 1410 O TYR A 178 -7.307 10.110 10.155 1.00 95.12 O +ATOM 1411 CG TYR A 178 -10.580 10.947 10.525 1.00 95.12 C +ATOM 1412 CD1 TYR A 178 -10.182 12.225 10.957 1.00 95.12 C +ATOM 1413 CD2 TYR A 178 -11.437 10.813 9.414 1.00 95.12 C +ATOM 1414 CE1 TYR A 178 -10.649 13.372 10.286 1.00 95.12 C +ATOM 1415 CE2 TYR A 178 -11.893 11.956 8.738 1.00 95.12 C +ATOM 1416 OH TYR A 178 -11.984 14.307 8.510 1.00 95.12 O +ATOM 1417 CZ TYR A 178 -11.501 13.234 9.175 1.00 95.12 C +ATOM 1418 N ILE A 179 -8.213 9.473 8.196 1.00 95.44 N +ATOM 1419 CA ILE A 179 -7.201 10.082 7.332 1.00 95.44 C +ATOM 1420 C ILE A 179 -7.784 11.349 6.693 1.00 95.44 C +ATOM 1421 CB ILE A 179 -6.707 9.041 6.307 1.00 95.44 C +ATOM 1422 O ILE A 179 -8.677 11.281 5.851 1.00 95.44 O +ATOM 1423 CG1 ILE A 179 -6.257 7.700 6.930 1.00 95.44 C +ATOM 1424 CG2 ILE A 179 -5.565 9.631 5.482 1.00 95.44 C +ATOM 1425 CD1 ILE A 179 -5.176 7.808 8.015 1.00 95.44 C +ATOM 1426 N ASN A 180 -7.312 12.519 7.129 1.00 93.88 N +ATOM 1427 CA ASN A 180 -7.973 13.810 6.897 1.00 93.88 C +ATOM 1428 C ASN A 180 -7.377 14.667 5.767 1.00 93.88 C +ATOM 1429 CB ASN A 180 -8.036 14.579 8.227 1.00 93.88 C +ATOM 1430 O ASN A 180 -7.896 15.748 5.490 1.00 93.88 O +ATOM 1431 CG ASN A 180 -6.684 15.016 8.764 1.00 93.88 C +ATOM 1432 ND2 ASN A 180 -6.664 15.902 9.732 1.00 93.88 N +ATOM 1433 OD1 ASN A 180 -5.627 14.561 8.356 1.00 93.88 O +ATOM 1434 N GLY A 181 -6.309 14.221 5.104 1.00 94.81 N +ATOM 1435 CA GLY A 181 -5.725 14.924 3.960 1.00 94.81 C +ATOM 1436 C GLY A 181 -6.494 14.717 2.653 1.00 94.81 C +ATOM 1437 O GLY A 181 -6.210 15.416 1.686 1.00 94.81 O +ATOM 1438 N GLY A 182 -7.489 13.825 2.625 1.00 93.44 N +ATOM 1439 CA GLY A 182 -8.335 13.545 1.461 1.00 93.44 C +ATOM 1440 C GLY A 182 -7.718 12.565 0.461 1.00 93.44 C +ATOM 1441 O GLY A 182 -6.595 12.092 0.633 1.00 93.44 O +ATOM 1442 N GLU A 183 -8.479 12.251 -0.584 1.00 94.69 N +ATOM 1443 CA GLU A 183 -8.084 11.316 -1.644 1.00 94.69 C +ATOM 1444 C GLU A 183 -6.991 11.911 -2.544 1.00 94.69 C +ATOM 1445 CB GLU A 183 -9.312 10.953 -2.498 1.00 94.69 C +ATOM 1446 O GLU A 183 -7.041 13.087 -2.917 1.00 94.69 O +ATOM 1447 CG GLU A 183 -10.438 10.246 -1.715 1.00 94.69 C +ATOM 1448 CD GLU A 183 -11.760 10.153 -2.502 1.00 94.69 C +ATOM 1449 OE1 GLU A 183 -12.781 9.774 -1.880 1.00 94.69 O +ATOM 1450 OE2 GLU A 183 -11.773 10.528 -3.699 1.00 94.69 O +ATOM 1451 N LEU A 184 -6.035 11.090 -2.983 1.00 96.69 N +ATOM 1452 CA LEU A 184 -5.031 11.478 -3.972 1.00 96.69 C +ATOM 1453 C LEU A 184 -5.705 11.934 -5.269 1.00 96.69 C +ATOM 1454 CB LEU A 184 -4.088 10.291 -4.234 1.00 96.69 C +ATOM 1455 O LEU A 184 -5.258 12.904 -5.882 1.00 96.69 O +ATOM 1456 CG LEU A 184 -2.876 10.659 -5.110 1.00 96.69 C +ATOM 1457 CD1 LEU A 184 -1.913 11.568 -4.339 1.00 96.69 C +ATOM 1458 CD2 LEU A 184 -2.114 9.411 -5.547 1.00 96.69 C +ATOM 1459 N PHE A 185 -6.819 11.288 -5.635 1.00 94.19 N +ATOM 1460 CA PHE A 185 -7.672 11.685 -6.753 1.00 94.19 C +ATOM 1461 C PHE A 185 -8.062 13.167 -6.687 1.00 94.19 C +ATOM 1462 CB PHE A 185 -8.941 10.823 -6.755 1.00 94.19 C +ATOM 1463 O PHE A 185 -7.900 13.898 -7.665 1.00 94.19 O +ATOM 1464 CG PHE A 185 -9.816 11.081 -7.964 1.00 94.19 C +ATOM 1465 CD1 PHE A 185 -10.992 11.843 -7.831 1.00 94.19 C +ATOM 1466 CD2 PHE A 185 -9.444 10.582 -9.226 1.00 94.19 C +ATOM 1467 CE1 PHE A 185 -11.787 12.113 -8.960 1.00 94.19 C +ATOM 1468 CE2 PHE A 185 -10.240 10.848 -10.353 1.00 94.19 C +ATOM 1469 CZ PHE A 185 -11.409 11.617 -10.221 1.00 94.19 C +ATOM 1470 N TYR A 186 -8.521 13.642 -5.525 1.00 92.06 N +ATOM 1471 CA TYR A 186 -8.932 15.033 -5.331 1.00 92.06 C +ATOM 1472 C TYR A 186 -7.783 16.015 -5.602 1.00 92.06 C +ATOM 1473 CB TYR A 186 -9.469 15.199 -3.904 1.00 92.06 C +ATOM 1474 O TYR A 186 -7.960 17.011 -6.312 1.00 92.06 O +ATOM 1475 CG TYR A 186 -9.793 16.631 -3.541 1.00 92.06 C +ATOM 1476 CD1 TYR A 186 -8.848 17.415 -2.849 1.00 92.06 C +ATOM 1477 CD2 TYR A 186 -11.046 17.166 -3.885 1.00 92.06 C +ATOM 1478 CE1 TYR A 186 -9.165 18.735 -2.482 1.00 92.06 C +ATOM 1479 CE2 TYR A 186 -11.374 18.480 -3.512 1.00 92.06 C +ATOM 1480 OH TYR A 186 -10.767 20.522 -2.439 1.00 92.06 O +ATOM 1481 CZ TYR A 186 -10.436 19.257 -2.803 1.00 92.06 C +ATOM 1482 N HIS A 187 -6.591 15.721 -5.078 1.00 94.31 N +ATOM 1483 CA HIS A 187 -5.405 16.560 -5.281 1.00 94.31 C +ATOM 1484 C HIS A 187 -4.931 16.533 -6.733 1.00 94.31 C +ATOM 1485 CB HIS A 187 -4.297 16.124 -4.319 1.00 94.31 C +ATOM 1486 O HIS A 187 -4.651 17.584 -7.313 1.00 94.31 O +ATOM 1487 CG HIS A 187 -4.685 16.359 -2.886 1.00 94.31 C +ATOM 1488 CD2 HIS A 187 -5.018 15.393 -1.987 1.00 94.31 C +ATOM 1489 ND1 HIS A 187 -4.858 17.616 -2.295 1.00 94.31 N +ATOM 1490 CE1 HIS A 187 -5.272 17.370 -1.043 1.00 94.31 C +ATOM 1491 NE2 HIS A 187 -5.377 16.051 -0.837 1.00 94.31 N +ATOM 1492 N LEU A 188 -4.922 15.353 -7.354 1.00 95.00 N +ATOM 1493 CA LEU A 188 -4.511 15.177 -8.743 1.00 95.00 C +ATOM 1494 C LEU A 188 -5.442 15.918 -9.709 1.00 95.00 C +ATOM 1495 CB LEU A 188 -4.435 13.670 -9.034 1.00 95.00 C +ATOM 1496 O LEU A 188 -4.970 16.618 -10.600 1.00 95.00 O +ATOM 1497 CG LEU A 188 -3.887 13.311 -10.426 1.00 95.00 C +ATOM 1498 CD1 LEU A 188 -2.512 13.927 -10.696 1.00 95.00 C +ATOM 1499 CD2 LEU A 188 -3.755 11.793 -10.508 1.00 95.00 C +ATOM 1500 N GLN A 189 -6.758 15.870 -9.487 1.00 91.69 N +ATOM 1501 CA GLN A 189 -7.730 16.620 -10.291 1.00 91.69 C +ATOM 1502 C GLN A 189 -7.547 18.141 -10.172 1.00 91.69 C +ATOM 1503 CB GLN A 189 -9.157 16.231 -9.868 1.00 91.69 C +ATOM 1504 O GLN A 189 -7.729 18.874 -11.147 1.00 91.69 O +ATOM 1505 CG GLN A 189 -9.554 14.815 -10.318 1.00 91.69 C +ATOM 1506 CD GLN A 189 -9.550 14.642 -11.832 1.00 91.69 C +ATOM 1507 NE2 GLN A 189 -9.092 13.513 -12.323 1.00 91.69 N +ATOM 1508 OE1 GLN A 189 -9.948 15.519 -12.589 1.00 91.69 O +ATOM 1509 N ARG A 190 -7.175 18.641 -8.987 1.00 91.31 N +ATOM 1510 CA ARG A 190 -6.939 20.077 -8.765 1.00 91.31 C +ATOM 1511 C ARG A 190 -5.661 20.575 -9.436 1.00 91.31 C +ATOM 1512 CB ARG A 190 -6.907 20.374 -7.261 1.00 91.31 C +ATOM 1513 O ARG A 190 -5.662 21.686 -9.966 1.00 91.31 O +ATOM 1514 CG ARG A 190 -8.318 20.361 -6.655 1.00 91.31 C +ATOM 1515 CD ARG A 190 -8.299 20.662 -5.153 1.00 91.31 C +ATOM 1516 NE ARG A 190 -7.772 22.013 -4.865 1.00 91.31 N +ATOM 1517 NH1 ARG A 190 -8.560 22.231 -2.708 1.00 91.31 N +ATOM 1518 NH2 ARG A 190 -7.296 23.829 -3.582 1.00 91.31 N +ATOM 1519 CZ ARG A 190 -7.882 22.674 -3.725 1.00 91.31 C +ATOM 1520 N GLU A 191 -4.600 19.777 -9.408 1.00 93.12 N +ATOM 1521 CA GLU A 191 -3.277 20.146 -9.933 1.00 93.12 C +ATOM 1522 C GLU A 191 -3.042 19.691 -11.380 1.00 93.12 C +ATOM 1523 CB GLU A 191 -2.195 19.615 -8.986 1.00 93.12 C +ATOM 1524 O GLU A 191 -2.112 20.160 -12.032 1.00 93.12 O +ATOM 1525 CG GLU A 191 -2.235 20.364 -7.645 1.00 93.12 C +ATOM 1526 CD GLU A 191 -1.199 19.815 -6.664 1.00 93.12 C +ATOM 1527 OE1 GLU A 191 -1.592 19.461 -5.527 1.00 93.12 O +ATOM 1528 OE2 GLU A 191 -0.004 19.728 -7.025 1.00 93.12 O +ATOM 1529 N ARG A 192 -3.931 18.849 -11.922 1.00 93.19 N +ATOM 1530 CA ARG A 192 -3.875 18.175 -13.233 1.00 93.19 C +ATOM 1531 C ARG A 192 -2.797 17.105 -13.343 1.00 93.19 C +ATOM 1532 CB ARG A 192 -3.747 19.163 -14.399 1.00 93.19 C +ATOM 1533 O ARG A 192 -3.071 16.056 -13.904 1.00 93.19 O +ATOM 1534 CG ARG A 192 -4.778 20.292 -14.367 1.00 93.19 C +ATOM 1535 CD ARG A 192 -4.541 21.175 -15.589 1.00 93.19 C +ATOM 1536 NE ARG A 192 -5.511 22.280 -15.644 1.00 93.19 N +ATOM 1537 NH1 ARG A 192 -4.867 23.085 -17.689 1.00 93.19 N +ATOM 1538 NH2 ARG A 192 -6.494 24.116 -16.557 1.00 93.19 N +ATOM 1539 CZ ARG A 192 -5.624 23.149 -16.628 1.00 93.19 C +ATOM 1540 N CYS A 193 -1.592 17.370 -12.862 1.00 94.69 N +ATOM 1541 CA CYS A 193 -0.516 16.395 -12.735 1.00 94.69 C +ATOM 1542 C CYS A 193 0.429 16.816 -11.607 1.00 94.69 C +ATOM 1543 CB CYS A 193 0.222 16.214 -14.074 1.00 94.69 C +ATOM 1544 O CYS A 193 0.440 17.969 -11.177 1.00 94.69 O +ATOM 1545 SG CYS A 193 0.981 17.757 -14.667 1.00 94.69 S +ATOM 1546 N PHE A 194 1.238 15.880 -11.134 1.00 97.00 N +ATOM 1547 CA PHE A 194 2.288 16.119 -10.160 1.00 97.00 C +ATOM 1548 C PHE A 194 3.653 16.176 -10.835 1.00 97.00 C +ATOM 1549 CB PHE A 194 2.245 15.045 -9.067 1.00 97.00 C +ATOM 1550 O PHE A 194 3.927 15.501 -11.828 1.00 97.00 O +ATOM 1551 CG PHE A 194 0.939 14.940 -8.299 1.00 97.00 C +ATOM 1552 CD1 PHE A 194 0.128 16.069 -8.050 1.00 97.00 C +ATOM 1553 CD2 PHE A 194 0.532 13.681 -7.824 1.00 97.00 C +ATOM 1554 CE1 PHE A 194 -1.078 15.932 -7.342 1.00 97.00 C +ATOM 1555 CE2 PHE A 194 -0.682 13.544 -7.134 1.00 97.00 C +ATOM 1556 CZ PHE A 194 -1.483 14.669 -6.882 1.00 97.00 C +ATOM 1557 N LEU A 195 4.547 16.963 -10.241 1.00 96.75 N +ATOM 1558 CA LEU A 195 5.958 16.930 -10.602 1.00 96.75 C +ATOM 1559 C LEU A 195 6.568 15.577 -10.222 1.00 96.75 C +ATOM 1560 CB LEU A 195 6.704 18.093 -9.928 1.00 96.75 C +ATOM 1561 O LEU A 195 6.203 14.974 -9.210 1.00 96.75 O +ATOM 1562 CG LEU A 195 6.207 19.495 -10.325 1.00 96.75 C +ATOM 1563 CD1 LEU A 195 7.007 20.543 -9.553 1.00 96.75 C +ATOM 1564 CD2 LEU A 195 6.373 19.764 -11.822 1.00 96.75 C +ATOM 1565 N GLU A 196 7.554 15.137 -11.003 1.00 97.31 N +ATOM 1566 CA GLU A 196 8.196 13.832 -10.828 1.00 97.31 C +ATOM 1567 C GLU A 196 8.714 13.564 -9.400 1.00 97.31 C +ATOM 1568 CB GLU A 196 9.300 13.660 -11.883 1.00 97.31 C +ATOM 1569 O GLU A 196 8.497 12.455 -8.919 1.00 97.31 O +ATOM 1570 CG GLU A 196 9.827 12.223 -11.925 1.00 97.31 C +ATOM 1571 CD GLU A 196 10.959 12.060 -12.941 1.00 97.31 C +ATOM 1572 OE1 GLU A 196 12.030 11.552 -12.534 1.00 97.31 O +ATOM 1573 OE2 GLU A 196 10.780 12.414 -14.127 1.00 97.31 O +ATOM 1574 N PRO A 197 9.317 14.521 -8.660 1.00 97.25 N +ATOM 1575 CA PRO A 197 9.715 14.280 -7.271 1.00 97.25 C +ATOM 1576 C PRO A 197 8.547 13.894 -6.352 1.00 97.25 C +ATOM 1577 CB PRO A 197 10.388 15.575 -6.804 1.00 97.25 C +ATOM 1578 O PRO A 197 8.697 13.001 -5.522 1.00 97.25 O +ATOM 1579 CG PRO A 197 10.901 16.194 -8.103 1.00 97.25 C +ATOM 1580 CD PRO A 197 9.799 15.827 -9.091 1.00 97.25 C +ATOM 1581 N ARG A 198 7.374 14.518 -6.533 1.00 97.75 N +ATOM 1582 CA ARG A 198 6.162 14.198 -5.767 1.00 97.75 C +ATOM 1583 C ARG A 198 5.597 12.838 -6.157 1.00 97.75 C +ATOM 1584 CB ARG A 198 5.137 15.337 -5.896 1.00 97.75 C +ATOM 1585 O ARG A 198 5.314 12.027 -5.283 1.00 97.75 O +ATOM 1586 CG ARG A 198 3.814 15.027 -5.176 1.00 97.75 C +ATOM 1587 CD ARG A 198 2.904 16.257 -5.155 1.00 97.75 C +ATOM 1588 NE ARG A 198 1.700 16.016 -4.345 1.00 97.75 N +ATOM 1589 NH1 ARG A 198 0.506 17.842 -5.027 1.00 97.75 N +ATOM 1590 NH2 ARG A 198 -0.394 16.445 -3.567 1.00 97.75 N +ATOM 1591 CZ ARG A 198 0.611 16.760 -4.327 1.00 97.75 C +ATOM 1592 N ALA A 199 5.502 12.572 -7.458 1.00 98.12 N +ATOM 1593 CA ALA A 199 5.047 11.280 -7.963 1.00 98.12 C +ATOM 1594 C ALA A 199 5.974 10.130 -7.522 1.00 98.12 C +ATOM 1595 CB ALA A 199 4.938 11.376 -9.488 1.00 98.12 C +ATOM 1596 O ALA A 199 5.489 9.070 -7.139 1.00 98.12 O +ATOM 1597 N ARG A 200 7.298 10.350 -7.510 1.00 98.44 N +ATOM 1598 CA ARG A 200 8.299 9.391 -7.014 1.00 98.44 C +ATOM 1599 C ARG A 200 8.102 9.071 -5.541 1.00 98.44 C +ATOM 1600 CB ARG A 200 9.717 9.933 -7.260 1.00 98.44 C +ATOM 1601 O ARG A 200 8.125 7.899 -5.185 1.00 98.44 O +ATOM 1602 CG ARG A 200 10.819 8.946 -6.823 1.00 98.44 C +ATOM 1603 CD ARG A 200 12.214 9.567 -6.928 1.00 98.44 C +ATOM 1604 NE ARG A 200 12.516 9.996 -8.308 1.00 98.44 N +ATOM 1605 NH1 ARG A 200 12.947 12.211 -7.889 1.00 98.44 N +ATOM 1606 NH2 ARG A 200 12.992 11.480 -9.981 1.00 98.44 N +ATOM 1607 CZ ARG A 200 12.813 11.214 -8.721 1.00 98.44 C +ATOM 1608 N PHE A 201 7.924 10.100 -4.712 1.00 98.50 N +ATOM 1609 CA PHE A 201 7.706 9.939 -3.277 1.00 98.50 C +ATOM 1610 C PHE A 201 6.471 9.070 -3.004 1.00 98.50 C +ATOM 1611 CB PHE A 201 7.608 11.328 -2.636 1.00 98.50 C +ATOM 1612 O PHE A 201 6.588 8.028 -2.367 1.00 98.50 O +ATOM 1613 CG PHE A 201 7.333 11.287 -1.151 1.00 98.50 C +ATOM 1614 CD1 PHE A 201 6.012 11.400 -0.683 1.00 98.50 C +ATOM 1615 CD2 PHE A 201 8.386 11.098 -0.239 1.00 98.50 C +ATOM 1616 CE1 PHE A 201 5.736 11.319 0.691 1.00 98.50 C +ATOM 1617 CE2 PHE A 201 8.108 11.025 1.136 1.00 98.50 C +ATOM 1618 CZ PHE A 201 6.790 11.137 1.599 1.00 98.50 C +ATOM 1619 N TYR A 202 5.320 9.415 -3.589 1.00 98.62 N +ATOM 1620 CA TYR A 202 4.097 8.627 -3.414 1.00 98.62 C +ATOM 1621 C TYR A 202 4.206 7.217 -3.996 1.00 98.62 C +ATOM 1622 CB TYR A 202 2.913 9.367 -4.043 1.00 98.62 C +ATOM 1623 O TYR A 202 3.792 6.260 -3.350 1.00 98.62 O +ATOM 1624 CG TYR A 202 2.565 10.708 -3.425 1.00 98.62 C +ATOM 1625 CD1 TYR A 202 2.803 10.971 -2.061 1.00 98.62 C +ATOM 1626 CD2 TYR A 202 1.912 11.671 -4.215 1.00 98.62 C +ATOM 1627 CE1 TYR A 202 2.409 12.192 -1.494 1.00 98.62 C +ATOM 1628 CE2 TYR A 202 1.483 12.881 -3.644 1.00 98.62 C +ATOM 1629 OH TYR A 202 1.321 14.310 -1.722 1.00 98.62 O +ATOM 1630 CZ TYR A 202 1.739 13.145 -2.281 1.00 98.62 C +ATOM 1631 N ALA A 203 4.801 7.055 -5.182 1.00 98.69 N +ATOM 1632 CA ALA A 203 5.010 5.731 -5.765 1.00 98.69 C +ATOM 1633 C ALA A 203 5.894 4.839 -4.880 1.00 98.69 C +ATOM 1634 CB ALA A 203 5.597 5.886 -7.170 1.00 98.69 C +ATOM 1635 O ALA A 203 5.651 3.638 -4.815 1.00 98.69 O +ATOM 1636 N ALA A 204 6.879 5.408 -4.174 1.00 98.69 N +ATOM 1637 CA ALA A 204 7.707 4.661 -3.233 1.00 98.69 C +ATOM 1638 C ALA A 204 6.900 4.197 -2.008 1.00 98.69 C +ATOM 1639 CB ALA A 204 8.916 5.517 -2.837 1.00 98.69 C +ATOM 1640 O ALA A 204 6.983 3.028 -1.633 1.00 98.69 O +ATOM 1641 N GLU A 205 6.077 5.069 -1.415 1.00 98.62 N +ATOM 1642 CA GLU A 205 5.217 4.705 -0.275 1.00 98.62 C +ATOM 1643 C GLU A 205 4.194 3.627 -0.655 1.00 98.62 C +ATOM 1644 CB GLU A 205 4.488 5.941 0.276 1.00 98.62 C +ATOM 1645 O GLU A 205 4.038 2.634 0.061 1.00 98.62 O +ATOM 1646 CG GLU A 205 5.462 6.965 0.867 1.00 98.62 C +ATOM 1647 CD GLU A 205 4.752 8.108 1.599 1.00 98.62 C +ATOM 1648 OE1 GLU A 205 5.301 8.577 2.619 1.00 98.62 O +ATOM 1649 OE2 GLU A 205 3.680 8.556 1.133 1.00 98.62 O +ATOM 1650 N ILE A 206 3.560 3.771 -1.825 1.00 98.62 N +ATOM 1651 CA ILE A 206 2.626 2.779 -2.369 1.00 98.62 C +ATOM 1652 C ILE A 206 3.347 1.450 -2.614 1.00 98.62 C +ATOM 1653 CB ILE A 206 1.965 3.298 -3.665 1.00 98.62 C +ATOM 1654 O ILE A 206 2.853 0.404 -2.200 1.00 98.62 O +ATOM 1655 CG1 ILE A 206 1.102 4.556 -3.412 1.00 98.62 C +ATOM 1656 CG2 ILE A 206 1.075 2.206 -4.286 1.00 98.62 C +ATOM 1657 CD1 ILE A 206 0.794 5.350 -4.689 1.00 98.62 C +ATOM 1658 N ALA A 207 4.525 1.469 -3.248 1.00 98.62 N +ATOM 1659 CA ALA A 207 5.288 0.252 -3.511 1.00 98.62 C +ATOM 1660 C ALA A 207 5.684 -0.470 -2.216 1.00 98.62 C +ATOM 1661 CB ALA A 207 6.518 0.595 -4.359 1.00 98.62 C +ATOM 1662 O ALA A 207 5.572 -1.692 -2.150 1.00 98.62 O +ATOM 1663 N SER A 208 6.079 0.276 -1.178 1.00 97.94 N +ATOM 1664 CA SER A 208 6.361 -0.279 0.152 1.00 97.94 C +ATOM 1665 C SER A 208 5.131 -0.965 0.749 1.00 97.94 C +ATOM 1666 CB SER A 208 6.838 0.835 1.088 1.00 97.94 C +ATOM 1667 O SER A 208 5.226 -2.085 1.247 1.00 97.94 O +ATOM 1668 OG SER A 208 7.286 0.309 2.322 1.00 97.94 O +ATOM 1669 N ALA A 209 3.966 -0.317 0.667 1.00 97.25 N +ATOM 1670 CA ALA A 209 2.709 -0.856 1.174 1.00 97.25 C +ATOM 1671 C ALA A 209 2.281 -2.141 0.444 1.00 97.25 C +ATOM 1672 CB ALA A 209 1.657 0.250 1.054 1.00 97.25 C +ATOM 1673 O ALA A 209 1.923 -3.125 1.091 1.00 97.25 O +ATOM 1674 N LEU A 210 2.369 -2.157 -0.890 1.00 97.25 N +ATOM 1675 CA LEU A 210 2.074 -3.338 -1.706 1.00 97.25 C +ATOM 1676 C LEU A 210 3.059 -4.477 -1.435 1.00 97.25 C +ATOM 1677 CB LEU A 210 2.111 -2.962 -3.194 1.00 97.25 C +ATOM 1678 O LEU A 210 2.640 -5.609 -1.220 1.00 97.25 O +ATOM 1679 CG LEU A 210 0.987 -2.022 -3.656 1.00 97.25 C +ATOM 1680 CD1 LEU A 210 1.258 -1.661 -5.116 1.00 97.25 C +ATOM 1681 CD2 LEU A 210 -0.403 -2.647 -3.520 1.00 97.25 C +ATOM 1682 N GLY A 211 4.359 -4.175 -1.366 1.00 96.38 N +ATOM 1683 CA GLY A 211 5.388 -5.164 -1.050 1.00 96.38 C +ATOM 1684 C GLY A 211 5.174 -5.823 0.312 1.00 96.38 C +ATOM 1685 O GLY A 211 5.315 -7.039 0.444 1.00 96.38 O +ATOM 1686 N TYR A 212 4.757 -5.046 1.315 1.00 95.69 N +ATOM 1687 CA TYR A 212 4.366 -5.580 2.616 1.00 95.69 C +ATOM 1688 C TYR A 212 3.152 -6.517 2.519 1.00 95.69 C +ATOM 1689 CB TYR A 212 4.105 -4.425 3.585 1.00 95.69 C +ATOM 1690 O TYR A 212 3.205 -7.628 3.045 1.00 95.69 O +ATOM 1691 CG TYR A 212 3.586 -4.884 4.932 1.00 95.69 C +ATOM 1692 CD1 TYR A 212 2.216 -4.772 5.229 1.00 95.69 C +ATOM 1693 CD2 TYR A 212 4.462 -5.469 5.865 1.00 95.69 C +ATOM 1694 CE1 TYR A 212 1.723 -5.202 6.474 1.00 95.69 C +ATOM 1695 CE2 TYR A 212 3.975 -5.905 7.112 1.00 95.69 C +ATOM 1696 OH TYR A 212 2.129 -6.145 8.636 1.00 95.69 O +ATOM 1697 CZ TYR A 212 2.605 -5.756 7.424 1.00 95.69 C +ATOM 1698 N LEU A 213 2.090 -6.132 1.804 1.00 94.88 N +ATOM 1699 CA LEU A 213 0.929 -7.008 1.590 1.00 94.88 C +ATOM 1700 C LEU A 213 1.324 -8.312 0.883 1.00 94.88 C +ATOM 1701 CB LEU A 213 -0.148 -6.270 0.780 1.00 94.88 C +ATOM 1702 O LEU A 213 0.949 -9.397 1.336 1.00 94.88 O +ATOM 1703 CG LEU A 213 -0.849 -5.134 1.539 1.00 94.88 C +ATOM 1704 CD1 LEU A 213 -1.771 -4.385 0.578 1.00 94.88 C +ATOM 1705 CD2 LEU A 213 -1.702 -5.654 2.699 1.00 94.88 C +ATOM 1706 N HIS A 214 2.145 -8.228 -0.164 1.00 95.44 N +ATOM 1707 CA HIS A 214 2.635 -9.403 -0.881 1.00 95.44 C +ATOM 1708 C HIS A 214 3.466 -10.325 0.022 1.00 95.44 C +ATOM 1709 CB HIS A 214 3.479 -8.979 -2.084 1.00 95.44 C +ATOM 1710 O HIS A 214 3.347 -11.546 -0.085 1.00 95.44 O +ATOM 1711 CG HIS A 214 2.761 -8.294 -3.218 1.00 95.44 C +ATOM 1712 CD2 HIS A 214 1.447 -7.915 -3.289 1.00 95.44 C +ATOM 1713 ND1 HIS A 214 3.342 -7.941 -4.414 1.00 95.44 N +ATOM 1714 CE1 HIS A 214 2.410 -7.360 -5.181 1.00 95.44 C +ATOM 1715 NE2 HIS A 214 1.234 -7.347 -4.544 1.00 95.44 N +ATOM 1716 N SER A 215 4.249 -9.768 0.957 1.00 93.88 N +ATOM 1717 CA SER A 215 4.994 -10.554 1.957 1.00 93.88 C +ATOM 1718 C SER A 215 4.089 -11.344 2.913 1.00 93.88 C +ATOM 1719 CB SER A 215 5.960 -9.659 2.744 1.00 93.88 C +ATOM 1720 O SER A 215 4.504 -12.362 3.462 1.00 93.88 O +ATOM 1721 OG SER A 215 5.336 -8.967 3.811 1.00 93.88 O +ATOM 1722 N LEU A 216 2.831 -10.917 3.066 1.00 92.50 N +ATOM 1723 CA LEU A 216 1.786 -11.616 3.817 1.00 92.50 C +ATOM 1724 C LEU A 216 0.909 -12.518 2.924 1.00 92.50 C +ATOM 1725 CB LEU A 216 0.944 -10.585 4.594 1.00 92.50 C +ATOM 1726 O LEU A 216 -0.122 -13.018 3.383 1.00 92.50 O +ATOM 1727 CG LEU A 216 1.720 -9.710 5.597 1.00 92.50 C +ATOM 1728 CD1 LEU A 216 0.735 -8.749 6.262 1.00 92.50 C +ATOM 1729 CD2 LEU A 216 2.409 -10.536 6.688 1.00 92.50 C +ATOM 1730 N ASN A 217 1.296 -12.734 1.660 1.00 93.38 N +ATOM 1731 CA ASN A 217 0.520 -13.440 0.632 1.00 93.38 C +ATOM 1732 C ASN A 217 -0.857 -12.801 0.363 1.00 93.38 C +ATOM 1733 CB ASN A 217 0.459 -14.948 0.940 1.00 93.38 C +ATOM 1734 O ASN A 217 -1.849 -13.507 0.146 1.00 93.38 O +ATOM 1735 CG ASN A 217 1.831 -15.582 1.058 1.00 93.38 C +ATOM 1736 ND2 ASN A 217 2.074 -16.339 2.102 1.00 93.38 N +ATOM 1737 OD1 ASN A 217 2.687 -15.442 0.201 1.00 93.38 O +ATOM 1738 N ILE A 218 -0.928 -11.467 0.410 1.00 93.00 N +ATOM 1739 CA ILE A 218 -2.131 -10.677 0.131 1.00 93.00 C +ATOM 1740 C ILE A 218 -1.905 -9.862 -1.142 1.00 93.00 C +ATOM 1741 CB ILE A 218 -2.500 -9.768 1.329 1.00 93.00 C +ATOM 1742 O ILE A 218 -0.941 -9.112 -1.223 1.00 93.00 O +ATOM 1743 CG1 ILE A 218 -2.722 -10.609 2.608 1.00 93.00 C +ATOM 1744 CG2 ILE A 218 -3.759 -8.938 1.003 1.00 93.00 C +ATOM 1745 CD1 ILE A 218 -2.870 -9.786 3.893 1.00 93.00 C +ATOM 1746 N VAL A 219 -2.816 -9.973 -2.109 1.00 94.31 N +ATOM 1747 CA VAL A 219 -2.842 -9.123 -3.316 1.00 94.31 C +ATOM 1748 C VAL A 219 -3.962 -8.100 -3.177 1.00 94.31 C +ATOM 1749 CB VAL A 219 -3.014 -9.948 -4.604 1.00 94.31 C +ATOM 1750 O VAL A 219 -5.085 -8.475 -2.833 1.00 94.31 O +ATOM 1751 CG1 VAL A 219 -2.778 -9.092 -5.852 1.00 94.31 C +ATOM 1752 CG2 VAL A 219 -2.027 -11.118 -4.665 1.00 94.31 C +ATOM 1753 N TYR A 220 -3.680 -6.831 -3.450 1.00 94.81 N +ATOM 1754 CA TYR A 220 -4.565 -5.695 -3.208 1.00 94.81 C +ATOM 1755 C TYR A 220 -5.655 -5.521 -4.284 1.00 94.81 C +ATOM 1756 CB TYR A 220 -3.687 -4.451 -3.044 1.00 94.81 C +ATOM 1757 O TYR A 220 -6.837 -5.416 -3.954 1.00 94.81 O +ATOM 1758 CG TYR A 220 -4.465 -3.214 -2.674 1.00 94.81 C +ATOM 1759 CD1 TYR A 220 -4.725 -2.255 -3.664 1.00 94.81 C +ATOM 1760 CD2 TYR A 220 -4.946 -3.036 -1.361 1.00 94.81 C +ATOM 1761 CE1 TYR A 220 -5.461 -1.113 -3.328 1.00 94.81 C +ATOM 1762 CE2 TYR A 220 -5.703 -1.892 -1.033 1.00 94.81 C +ATOM 1763 OH TYR A 220 -6.640 0.204 -1.808 1.00 94.81 O +ATOM 1764 CZ TYR A 220 -5.948 -0.929 -2.031 1.00 94.81 C +ATOM 1765 N ARG A 221 -5.280 -5.585 -5.569 1.00 94.69 N +ATOM 1766 CA ARG A 221 -6.129 -5.662 -6.782 1.00 94.69 C +ATOM 1767 C ARG A 221 -7.013 -4.463 -7.146 1.00 94.69 C +ATOM 1768 CB ARG A 221 -6.966 -6.952 -6.780 1.00 94.69 C +ATOM 1769 O ARG A 221 -7.624 -4.494 -8.213 1.00 94.69 O +ATOM 1770 CG ARG A 221 -6.135 -8.220 -6.559 1.00 94.69 C +ATOM 1771 CD ARG A 221 -6.979 -9.476 -6.767 1.00 94.69 C +ATOM 1772 NE ARG A 221 -8.065 -9.572 -5.781 1.00 94.69 N +ATOM 1773 NH1 ARG A 221 -9.253 -11.257 -6.773 1.00 94.69 N +ATOM 1774 NH2 ARG A 221 -9.962 -10.377 -4.842 1.00 94.69 N +ATOM 1775 CZ ARG A 221 -9.087 -10.399 -5.805 1.00 94.69 C +ATOM 1776 N ASP A 222 -7.101 -3.417 -6.327 1.00 94.31 N +ATOM 1777 CA ASP A 222 -7.902 -2.216 -6.642 1.00 94.31 C +ATOM 1778 C ASP A 222 -7.152 -0.912 -6.343 1.00 94.31 C +ATOM 1779 CB ASP A 222 -9.286 -2.299 -5.978 1.00 94.31 C +ATOM 1780 O ASP A 222 -7.699 0.032 -5.774 1.00 94.31 O +ATOM 1781 CG ASP A 222 -10.310 -1.300 -6.557 1.00 94.31 C +ATOM 1782 OD1 ASP A 222 -10.374 -1.088 -7.797 1.00 94.31 O +ATOM 1783 OD2 ASP A 222 -11.140 -0.760 -5.790 1.00 94.31 O +ATOM 1784 N LEU A 223 -5.867 -0.858 -6.703 1.00 97.44 N +ATOM 1785 CA LEU A 223 -5.078 0.365 -6.567 1.00 97.44 C +ATOM 1786 C LEU A 223 -5.497 1.396 -7.618 1.00 97.44 C +ATOM 1787 CB LEU A 223 -3.581 0.038 -6.592 1.00 97.44 C +ATOM 1788 O LEU A 223 -5.393 1.161 -8.820 1.00 97.44 O +ATOM 1789 CG LEU A 223 -2.716 1.282 -6.325 1.00 97.44 C +ATOM 1790 CD1 LEU A 223 -2.568 1.537 -4.827 1.00 97.44 C +ATOM 1791 CD2 LEU A 223 -1.349 1.112 -6.968 1.00 97.44 C +ATOM 1792 N LYS A 224 -5.940 2.550 -7.117 1.00 96.62 N +ATOM 1793 CA LYS A 224 -6.385 3.728 -7.867 1.00 96.62 C +ATOM 1794 C LYS A 224 -6.309 4.975 -6.974 1.00 96.62 C +ATOM 1795 CB LYS A 224 -7.821 3.497 -8.356 1.00 96.62 C +ATOM 1796 O LYS A 224 -6.342 4.815 -5.750 1.00 96.62 O +ATOM 1797 CG LYS A 224 -8.824 3.342 -7.202 1.00 96.62 C +ATOM 1798 CD LYS A 224 -10.153 2.857 -7.758 1.00 96.62 C +ATOM 1799 CE LYS A 224 -11.155 2.706 -6.618 1.00 96.62 C +ATOM 1800 NZ LYS A 224 -12.056 1.565 -6.860 1.00 96.62 N +ATOM 1801 N PRO A 225 -6.249 6.199 -7.523 1.00 96.62 N +ATOM 1802 CA PRO A 225 -6.122 7.427 -6.736 1.00 96.62 C +ATOM 1803 C PRO A 225 -7.233 7.656 -5.701 1.00 96.62 C +ATOM 1804 CB PRO A 225 -6.082 8.562 -7.760 1.00 96.62 C +ATOM 1805 O PRO A 225 -6.996 8.350 -4.717 1.00 96.62 O +ATOM 1806 CG PRO A 225 -5.597 7.902 -9.038 1.00 96.62 C +ATOM 1807 CD PRO A 225 -6.213 6.513 -8.939 1.00 96.62 C +ATOM 1808 N GLU A 226 -8.428 7.094 -5.891 1.00 93.88 N +ATOM 1809 CA GLU A 226 -9.537 7.176 -4.929 1.00 93.88 C +ATOM 1810 C GLU A 226 -9.303 6.313 -3.677 1.00 93.88 C +ATOM 1811 CB GLU A 226 -10.859 6.753 -5.596 1.00 93.88 C +ATOM 1812 O GLU A 226 -9.766 6.656 -2.594 1.00 93.88 O +ATOM 1813 CG GLU A 226 -11.250 7.577 -6.838 1.00 93.88 C +ATOM 1814 CD GLU A 226 -10.816 6.936 -8.168 1.00 93.88 C +ATOM 1815 OE1 GLU A 226 -11.638 6.956 -9.112 1.00 93.88 O +ATOM 1816 OE2 GLU A 226 -9.697 6.373 -8.230 1.00 93.88 O +ATOM 1817 N ASN A 227 -8.548 5.216 -3.801 1.00 95.75 N +ATOM 1818 CA ASN A 227 -8.215 4.322 -2.684 1.00 95.75 C +ATOM 1819 C ASN A 227 -6.888 4.698 -1.996 1.00 95.75 C +ATOM 1820 CB ASN A 227 -8.216 2.866 -3.170 1.00 95.75 C +ATOM 1821 O ASN A 227 -6.384 3.967 -1.140 1.00 95.75 O +ATOM 1822 CG ASN A 227 -9.585 2.292 -3.478 1.00 95.75 C +ATOM 1823 ND2 ASN A 227 -9.619 1.084 -3.984 1.00 95.75 N +ATOM 1824 OD1 ASN A 227 -10.625 2.913 -3.325 1.00 95.75 O +ATOM 1825 N ILE A 228 -6.312 5.837 -2.374 1.00 97.75 N +ATOM 1826 CA ILE A 228 -5.053 6.356 -1.854 1.00 97.75 C +ATOM 1827 C ILE A 228 -5.372 7.657 -1.122 1.00 97.75 C +ATOM 1828 CB ILE A 228 -4.067 6.552 -3.022 1.00 97.75 C +ATOM 1829 O ILE A 228 -5.748 8.642 -1.750 1.00 97.75 O +ATOM 1830 CG1 ILE A 228 -3.735 5.224 -3.743 1.00 97.75 C +ATOM 1831 CG2 ILE A 228 -2.763 7.135 -2.489 1.00 97.75 C +ATOM 1832 CD1 ILE A 228 -2.994 5.407 -5.073 1.00 97.75 C +ATOM 1833 N LEU A 229 -5.240 7.674 0.200 1.00 97.12 N +ATOM 1834 CA LEU A 229 -5.494 8.859 1.020 1.00 97.12 C +ATOM 1835 C LEU A 229 -4.180 9.537 1.413 1.00 97.12 C +ATOM 1836 CB LEU A 229 -6.332 8.470 2.249 1.00 97.12 C +ATOM 1837 O LEU A 229 -3.132 8.896 1.429 1.00 97.12 O +ATOM 1838 CG LEU A 229 -7.654 7.743 1.944 1.00 97.12 C +ATOM 1839 CD1 LEU A 229 -8.409 7.478 3.247 1.00 97.12 C +ATOM 1840 CD2 LEU A 229 -8.567 8.550 1.023 1.00 97.12 C +ATOM 1841 N LEU A 230 -4.239 10.822 1.758 1.00 97.31 N +ATOM 1842 CA LEU A 230 -3.130 11.546 2.382 1.00 97.31 C +ATOM 1843 C LEU A 230 -3.410 11.769 3.869 1.00 97.31 C +ATOM 1844 CB LEU A 230 -2.873 12.874 1.648 1.00 97.31 C +ATOM 1845 O LEU A 230 -4.490 12.236 4.228 1.00 97.31 O +ATOM 1846 CG LEU A 230 -2.465 12.725 0.171 1.00 97.31 C +ATOM 1847 CD1 LEU A 230 -2.190 14.107 -0.422 1.00 97.31 C +ATOM 1848 CD2 LEU A 230 -1.190 11.905 -0.012 1.00 97.31 C +ATOM 1849 N ASP A 231 -2.448 11.474 4.739 1.00 95.69 N +ATOM 1850 CA ASP A 231 -2.528 11.839 6.156 1.00 95.69 C +ATOM 1851 C ASP A 231 -2.293 13.342 6.384 1.00 95.69 C +ATOM 1852 CB ASP A 231 -1.648 10.910 7.019 1.00 95.69 C +ATOM 1853 O ASP A 231 -2.042 14.107 5.453 1.00 95.69 O +ATOM 1854 CG ASP A 231 -0.134 11.168 6.999 1.00 95.69 C +ATOM 1855 OD1 ASP A 231 0.297 12.236 6.505 1.00 95.69 O +ATOM 1856 OD2 ASP A 231 0.597 10.320 7.569 1.00 95.69 O +ATOM 1857 N SER A 232 -2.390 13.786 7.640 1.00 94.88 N +ATOM 1858 CA SER A 232 -2.235 15.203 8.001 1.00 94.88 C +ATOM 1859 C SER A 232 -0.879 15.816 7.624 1.00 94.88 C +ATOM 1860 CB SER A 232 -2.455 15.394 9.505 1.00 94.88 C +ATOM 1861 O SER A 232 -0.796 17.035 7.474 1.00 94.88 O +ATOM 1862 OG SER A 232 -1.467 14.733 10.279 1.00 94.88 O +ATOM 1863 N GLN A 233 0.168 14.997 7.475 1.00 95.25 N +ATOM 1864 CA GLN A 233 1.511 15.432 7.081 1.00 95.25 C +ATOM 1865 C GLN A 233 1.727 15.329 5.567 1.00 95.25 C +ATOM 1866 CB GLN A 233 2.566 14.608 7.836 1.00 95.25 C +ATOM 1867 O GLN A 233 2.609 15.998 5.032 1.00 95.25 O +ATOM 1868 CG GLN A 233 2.467 14.707 9.365 1.00 95.25 C +ATOM 1869 CD GLN A 233 2.488 16.148 9.860 1.00 95.25 C +ATOM 1870 NE2 GLN A 233 1.455 16.590 10.544 1.00 95.25 N +ATOM 1871 OE1 GLN A 233 3.407 16.914 9.621 1.00 95.25 O +ATOM 1872 N GLY A 234 0.899 14.543 4.873 1.00 96.81 N +ATOM 1873 CA GLY A 234 0.953 14.337 3.431 1.00 96.81 C +ATOM 1874 C GLY A 234 1.552 12.999 3.001 1.00 96.81 C +ATOM 1875 O GLY A 234 1.869 12.863 1.820 1.00 96.81 O +ATOM 1876 N HIS A 235 1.703 12.033 3.914 1.00 98.25 N +ATOM 1877 CA HIS A 235 2.062 10.656 3.559 1.00 98.25 C +ATOM 1878 C HIS A 235 0.853 9.893 3.024 1.00 98.25 C +ATOM 1879 CB HIS A 235 2.626 9.891 4.758 1.00 98.25 C +ATOM 1880 O HIS A 235 -0.286 10.143 3.422 1.00 98.25 O +ATOM 1881 CG HIS A 235 3.910 10.455 5.284 1.00 98.25 C +ATOM 1882 CD2 HIS A 235 4.070 11.293 6.348 1.00 98.25 C +ATOM 1883 ND1 HIS A 235 5.155 10.190 4.781 1.00 98.25 N +ATOM 1884 CE1 HIS A 235 6.056 10.862 5.512 1.00 98.25 C +ATOM 1885 NE2 HIS A 235 5.438 11.549 6.487 1.00 98.25 N +ATOM 1886 N ILE A 236 1.116 8.926 2.156 1.00 98.06 N +ATOM 1887 CA ILE A 236 0.113 8.039 1.584 1.00 98.06 C +ATOM 1888 C ILE A 236 -0.387 7.038 2.627 1.00 98.06 C +ATOM 1889 CB ILE A 236 0.698 7.330 0.347 1.00 98.06 C +ATOM 1890 O ILE A 236 0.389 6.449 3.376 1.00 98.06 O +ATOM 1891 CG1 ILE A 236 1.035 8.341 -0.772 1.00 98.06 C +ATOM 1892 CG2 ILE A 236 -0.229 6.210 -0.146 1.00 98.06 C +ATOM 1893 CD1 ILE A 236 -0.145 8.934 -1.543 1.00 98.06 C +ATOM 1894 N VAL A 237 -1.693 6.786 2.617 1.00 97.12 N +ATOM 1895 CA VAL A 237 -2.334 5.686 3.336 1.00 97.12 C +ATOM 1896 C VAL A 237 -3.296 4.976 2.386 1.00 97.12 C +ATOM 1897 CB VAL A 237 -3.045 6.193 4.606 1.00 97.12 C +ATOM 1898 O VAL A 237 -4.271 5.572 1.925 1.00 97.12 O +ATOM 1899 CG1 VAL A 237 -3.599 5.015 5.412 1.00 97.12 C +ATOM 1900 CG2 VAL A 237 -2.094 6.977 5.523 1.00 97.12 C +ATOM 1901 N LEU A 238 -3.032 3.705 2.076 1.00 96.81 N +ATOM 1902 CA LEU A 238 -3.950 2.881 1.287 1.00 96.81 C +ATOM 1903 C LEU A 238 -5.172 2.503 2.125 1.00 96.81 C +ATOM 1904 CB LEU A 238 -3.267 1.616 0.740 1.00 96.81 C +ATOM 1905 O LEU A 238 -5.040 2.111 3.287 1.00 96.81 O +ATOM 1906 CG LEU A 238 -2.015 1.839 -0.126 1.00 96.81 C +ATOM 1907 CD1 LEU A 238 -1.559 0.509 -0.731 1.00 96.81 C +ATOM 1908 CD2 LEU A 238 -2.283 2.808 -1.276 1.00 96.81 C +ATOM 1909 N THR A 239 -6.353 2.593 1.519 1.00 93.38 N +ATOM 1910 CA THR A 239 -7.640 2.245 2.140 1.00 93.38 C +ATOM 1911 C THR A 239 -8.395 1.192 1.323 1.00 93.38 C +ATOM 1912 CB THR A 239 -8.445 3.525 2.417 1.00 93.38 C +ATOM 1913 O THR A 239 -7.870 0.683 0.349 1.00 93.38 O +ATOM 1914 CG2 THR A 239 -8.973 4.224 1.165 1.00 93.38 C +ATOM 1915 OG1 THR A 239 -9.548 3.254 3.255 1.00 93.38 O +ATOM 1916 N ASP A 240 -9.610 0.828 1.730 1.00 87.38 N +ATOM 1917 CA ASP A 240 -10.528 -0.084 1.023 1.00 87.38 C +ATOM 1918 C ASP A 240 -9.919 -1.429 0.563 1.00 87.38 C +ATOM 1919 CB ASP A 240 -11.272 0.660 -0.107 1.00 87.38 C +ATOM 1920 O ASP A 240 -9.682 -1.683 -0.616 1.00 87.38 O +ATOM 1921 CG ASP A 240 -12.605 -0.012 -0.489 1.00 87.38 C +ATOM 1922 OD1 ASP A 240 -13.071 -0.908 0.266 1.00 87.38 O +ATOM 1923 OD2 ASP A 240 -13.271 0.463 -1.435 1.00 87.38 O +ATOM 1924 N PHE A 241 -9.723 -2.350 1.509 1.00 87.00 N +ATOM 1925 CA PHE A 241 -9.212 -3.702 1.239 1.00 87.00 C +ATOM 1926 C PHE A 241 -10.298 -4.691 0.775 1.00 87.00 C +ATOM 1927 CB PHE A 241 -8.448 -4.218 2.466 1.00 87.00 C +ATOM 1928 O PHE A 241 -10.078 -5.903 0.769 1.00 87.00 O +ATOM 1929 CG PHE A 241 -7.297 -3.331 2.886 1.00 87.00 C +ATOM 1930 CD1 PHE A 241 -6.068 -3.366 2.205 1.00 87.00 C +ATOM 1931 CD2 PHE A 241 -7.453 -2.471 3.981 1.00 87.00 C +ATOM 1932 CE1 PHE A 241 -5.014 -2.522 2.588 1.00 87.00 C +ATOM 1933 CE2 PHE A 241 -6.375 -1.684 4.411 1.00 87.00 C +ATOM 1934 CZ PHE A 241 -5.172 -1.671 3.693 1.00 87.00 C +ATOM 1935 N GLY A 242 -11.481 -4.202 0.381 1.00 82.12 N +ATOM 1936 CA GLY A 242 -12.637 -5.029 0.012 1.00 82.12 C +ATOM 1937 C GLY A 242 -12.399 -5.976 -1.168 1.00 82.12 C +ATOM 1938 O GLY A 242 -13.075 -6.996 -1.291 1.00 82.12 O +ATOM 1939 N LEU A 243 -11.426 -5.657 -2.027 1.00 82.56 N +ATOM 1940 CA LEU A 243 -11.039 -6.471 -3.180 1.00 82.56 C +ATOM 1941 C LEU A 243 -9.723 -7.227 -2.978 1.00 82.56 C +ATOM 1942 CB LEU A 243 -11.048 -5.605 -4.453 1.00 82.56 C +ATOM 1943 O LEU A 243 -9.259 -7.888 -3.908 1.00 82.56 O +ATOM 1944 CG LEU A 243 -12.447 -5.084 -4.840 1.00 82.56 C +ATOM 1945 CD1 LEU A 243 -12.371 -4.271 -6.131 1.00 82.56 C +ATOM 1946 CD2 LEU A 243 -13.454 -6.214 -5.077 1.00 82.56 C +ATOM 1947 N CYS A 244 -9.150 -7.220 -1.775 1.00 89.06 N +ATOM 1948 CA CYS A 244 -7.951 -7.997 -1.497 1.00 89.06 C +ATOM 1949 C CYS A 244 -8.189 -9.505 -1.655 1.00 89.06 C +ATOM 1950 CB CYS A 244 -7.422 -7.657 -0.106 1.00 89.06 C +ATOM 1951 O CYS A 244 -9.311 -10.009 -1.553 1.00 89.06 O +ATOM 1952 SG CYS A 244 -6.676 -6.017 -0.173 1.00 89.06 S +ATOM 1953 N LYS A 245 -7.114 -10.244 -1.928 1.00 87.38 N +ATOM 1954 CA LYS A 245 -7.118 -11.706 -1.966 1.00 87.38 C +ATOM 1955 C LYS A 245 -5.991 -12.240 -1.104 1.00 87.38 C +ATOM 1956 CB LYS A 245 -6.996 -12.186 -3.416 1.00 87.38 C +ATOM 1957 O LYS A 245 -4.826 -12.004 -1.396 1.00 87.38 O +ATOM 1958 CG LYS A 245 -7.210 -13.693 -3.595 1.00 87.38 C +ATOM 1959 CD LYS A 245 -8.648 -14.138 -3.305 1.00 87.38 C +ATOM 1960 CE LYS A 245 -8.764 -15.630 -3.622 1.00 87.38 C +ATOM 1961 NZ LYS A 245 -10.135 -16.130 -3.371 1.00 87.38 N +ATOM 1962 N GLU A 246 -6.362 -12.970 -0.064 1.00 88.69 N +ATOM 1963 CA GLU A 246 -5.426 -13.654 0.824 1.00 88.69 C +ATOM 1964 C GLU A 246 -4.975 -15.002 0.241 1.00 88.69 C +ATOM 1965 CB GLU A 246 -6.098 -13.870 2.191 1.00 88.69 C +ATOM 1966 O GLU A 246 -5.657 -15.584 -0.610 1.00 88.69 O +ATOM 1967 CG GLU A 246 -6.558 -12.569 2.863 1.00 88.69 C +ATOM 1968 CD GLU A 246 -7.337 -12.879 4.143 1.00 88.69 C +ATOM 1969 OE1 GLU A 246 -8.591 -12.893 4.086 1.00 88.69 O +ATOM 1970 OE2 GLU A 246 -6.665 -13.180 5.160 1.00 88.69 O +ATOM 1971 N ASN A 247 -3.874 -15.526 0.787 1.00 86.69 N +ATOM 1972 CA ASN A 247 -3.308 -16.846 0.495 1.00 86.69 C +ATOM 1973 C ASN A 247 -2.859 -17.010 -0.967 1.00 86.69 C +ATOM 1974 CB ASN A 247 -4.253 -17.960 0.983 1.00 86.69 C +ATOM 1975 O ASN A 247 -2.980 -18.090 -1.543 1.00 86.69 O +ATOM 1976 CG ASN A 247 -4.742 -17.784 2.409 1.00 86.69 C +ATOM 1977 ND2 ASN A 247 -5.959 -18.194 2.683 1.00 86.69 N +ATOM 1978 OD1 ASN A 247 -4.074 -17.277 3.296 1.00 86.69 O +ATOM 1979 N ILE A 248 -2.348 -15.937 -1.574 1.00 87.75 N +ATOM 1980 CA ILE A 248 -1.711 -15.985 -2.893 1.00 87.75 C +ATOM 1981 C ILE A 248 -0.197 -16.068 -2.696 1.00 87.75 C +ATOM 1982 CB ILE A 248 -2.155 -14.800 -3.775 1.00 87.75 C +ATOM 1983 O ILE A 248 0.508 -15.062 -2.663 1.00 87.75 O +ATOM 1984 CG1 ILE A 248 -3.693 -14.685 -3.907 1.00 87.75 C +ATOM 1985 CG2 ILE A 248 -1.520 -14.894 -5.176 1.00 87.75 C +ATOM 1986 CD1 ILE A 248 -4.383 -15.894 -4.561 1.00 87.75 C +ATOM 1987 N GLU A 249 0.302 -17.291 -2.530 1.00 87.50 N +ATOM 1988 CA GLU A 249 1.741 -17.571 -2.480 1.00 87.50 C +ATOM 1989 C GLU A 249 2.428 -17.267 -3.826 1.00 87.50 C +ATOM 1990 CB GLU A 249 1.970 -19.032 -2.075 1.00 87.50 C +ATOM 1991 O GLU A 249 1.767 -17.023 -4.834 1.00 87.50 O +ATOM 1992 CG GLU A 249 1.420 -19.354 -0.676 1.00 87.50 C +ATOM 1993 CD GLU A 249 1.670 -20.812 -0.262 1.00 87.50 C +ATOM 1994 OE1 GLU A 249 1.186 -21.179 0.831 1.00 87.50 O +ATOM 1995 OE2 GLU A 249 2.333 -21.540 -1.037 1.00 87.50 O +ATOM 1996 N HIS A 250 3.765 -17.298 -3.879 1.00 79.75 N +ATOM 1997 CA HIS A 250 4.564 -16.919 -5.064 1.00 79.75 C +ATOM 1998 C HIS A 250 4.138 -17.576 -6.384 1.00 79.75 C +ATOM 1999 CB HIS A 250 6.057 -17.150 -4.770 1.00 79.75 C +ATOM 2000 O HIS A 250 4.190 -16.917 -7.416 1.00 79.75 O +ATOM 2001 CG HIS A 250 6.666 -16.068 -3.909 1.00 79.75 C +ATOM 2002 CD2 HIS A 250 6.746 -16.038 -2.541 1.00 79.75 C +ATOM 2003 ND1 HIS A 250 7.206 -14.886 -4.368 1.00 79.75 N +ATOM 2004 CE1 HIS A 250 7.607 -14.165 -3.308 1.00 79.75 C +ATOM 2005 NE2 HIS A 250 7.296 -14.807 -2.172 1.00 79.75 N +ATOM 2006 N ASN A 251 3.644 -18.815 -6.347 1.00 81.06 N +ATOM 2007 CA ASN A 251 3.209 -19.550 -7.540 1.00 81.06 C +ATOM 2008 C ASN A 251 1.685 -19.724 -7.629 1.00 81.06 C +ATOM 2009 CB ASN A 251 3.956 -20.891 -7.568 1.00 81.06 C +ATOM 2010 O ASN A 251 1.188 -20.472 -8.472 1.00 81.06 O +ATOM 2011 CG ASN A 251 5.460 -20.714 -7.665 1.00 81.06 C +ATOM 2012 ND2 ASN A 251 6.222 -21.637 -7.129 1.00 81.06 N +ATOM 2013 OD1 ASN A 251 5.980 -19.761 -8.212 1.00 81.06 O +ATOM 2014 N SER A 252 0.936 -19.077 -6.736 1.00 89.75 N +ATOM 2015 CA SER A 252 -0.520 -19.159 -6.715 1.00 89.75 C +ATOM 2016 C SER A 252 -1.134 -18.131 -7.653 1.00 89.75 C +ATOM 2017 CB SER A 252 -1.055 -18.977 -5.299 1.00 89.75 C +ATOM 2018 O SER A 252 -0.612 -17.036 -7.846 1.00 89.75 O +ATOM 2019 OG SER A 252 -0.695 -20.090 -4.510 1.00 89.75 O +ATOM 2020 N THR A 253 -2.290 -18.476 -8.211 1.00 92.00 N +ATOM 2021 CA THR A 253 -3.068 -17.565 -9.050 1.00 92.00 C +ATOM 2022 C THR A 253 -4.505 -17.475 -8.561 1.00 92.00 C +ATOM 2023 CB THR A 253 -3.019 -17.944 -10.538 1.00 92.00 C +ATOM 2024 O THR A 253 -5.011 -18.343 -7.850 1.00 92.00 O +ATOM 2025 CG2 THR A 253 -1.612 -17.885 -11.127 1.00 92.00 C +ATOM 2026 OG1 THR A 253 -3.504 -19.248 -10.748 1.00 92.00 O +ATOM 2027 N THR A 254 -5.176 -16.403 -8.954 1.00 91.38 N +ATOM 2028 CA THR A 254 -6.609 -16.192 -8.768 1.00 91.38 C +ATOM 2029 C THR A 254 -7.240 -15.840 -10.113 1.00 91.38 C +ATOM 2030 CB THR A 254 -6.855 -15.129 -7.690 1.00 91.38 C +ATOM 2031 O THR A 254 -6.577 -15.317 -11.003 1.00 91.38 O +ATOM 2032 CG2 THR A 254 -6.320 -13.748 -8.049 1.00 91.38 C +ATOM 2033 OG1 THR A 254 -8.234 -14.961 -7.443 1.00 91.38 O +ATOM 2034 N SER A 255 -8.523 -16.142 -10.290 1.00 90.06 N +ATOM 2035 CA SER A 255 -9.243 -15.964 -11.562 1.00 90.06 C +ATOM 2036 C SER A 255 -10.420 -14.989 -11.468 1.00 90.06 C +ATOM 2037 CB SER A 255 -9.697 -17.333 -12.071 1.00 90.06 C +ATOM 2038 O SER A 255 -11.160 -14.803 -12.432 1.00 90.06 O +ATOM 2039 OG SER A 255 -10.486 -17.978 -11.084 1.00 90.06 O +ATOM 2040 N THR A 256 -10.626 -14.353 -10.310 1.00 88.56 N +ATOM 2041 CA THR A 256 -11.742 -13.418 -10.112 1.00 88.56 C +ATOM 2042 C THR A 256 -11.561 -12.168 -10.970 1.00 88.56 C +ATOM 2043 CB THR A 256 -11.872 -12.995 -8.643 1.00 88.56 C +ATOM 2044 O THR A 256 -10.590 -11.437 -10.796 1.00 88.56 O +ATOM 2045 CG2 THR A 256 -13.174 -12.246 -8.365 1.00 88.56 C +ATOM 2046 OG1 THR A 256 -11.838 -14.113 -7.784 1.00 88.56 O +ATOM 2047 N PHE A 257 -12.516 -11.874 -11.848 1.00 90.25 N +ATOM 2048 CA PHE A 257 -12.538 -10.612 -12.585 1.00 90.25 C +ATOM 2049 C PHE A 257 -13.001 -9.476 -11.659 1.00 90.25 C +ATOM 2050 CB PHE A 257 -13.437 -10.771 -13.816 1.00 90.25 C +ATOM 2051 O PHE A 257 -14.184 -9.384 -11.331 1.00 90.25 O +ATOM 2052 CG PHE A 257 -13.375 -9.586 -14.756 1.00 90.25 C +ATOM 2053 CD1 PHE A 257 -14.183 -8.454 -14.537 1.00 90.25 C +ATOM 2054 CD2 PHE A 257 -12.481 -9.605 -15.842 1.00 90.25 C +ATOM 2055 CE1 PHE A 257 -14.093 -7.344 -15.397 1.00 90.25 C +ATOM 2056 CE2 PHE A 257 -12.402 -8.502 -16.706 1.00 90.25 C +ATOM 2057 CZ PHE A 257 -13.203 -7.369 -16.485 1.00 90.25 C +ATOM 2058 N CYS A 258 -12.075 -8.631 -11.208 1.00 88.25 N +ATOM 2059 CA CYS A 258 -12.353 -7.484 -10.342 1.00 88.25 C +ATOM 2060 C CYS A 258 -11.317 -6.373 -10.549 1.00 88.25 C +ATOM 2061 CB CYS A 258 -12.399 -7.934 -8.871 1.00 88.25 C +ATOM 2062 O CYS A 258 -10.260 -6.613 -11.126 1.00 88.25 O +ATOM 2063 SG CYS A 258 -10.804 -8.617 -8.327 1.00 88.25 S +ATOM 2064 N GLY A 259 -11.635 -5.180 -10.050 1.00 86.38 N +ATOM 2065 CA GLY A 259 -10.816 -3.977 -10.174 1.00 86.38 C +ATOM 2066 C GLY A 259 -11.543 -2.868 -10.932 1.00 86.38 C +ATOM 2067 O GLY A 259 -12.650 -3.048 -11.451 1.00 86.38 O +ATOM 2068 N THR A 260 -10.918 -1.699 -10.976 1.00 89.69 N +ATOM 2069 CA THR A 260 -11.474 -0.513 -11.633 1.00 89.69 C +ATOM 2070 C THR A 260 -11.053 -0.479 -13.113 1.00 89.69 C +ATOM 2071 CB THR A 260 -11.072 0.731 -10.839 1.00 89.69 C +ATOM 2072 O THR A 260 -9.865 -0.652 -13.382 1.00 89.69 O +ATOM 2073 CG2 THR A 260 -11.587 2.029 -11.455 1.00 89.69 C +ATOM 2074 OG1 THR A 260 -11.657 0.612 -9.555 1.00 89.69 O +ATOM 2075 N PRO A 261 -11.982 -0.290 -14.080 1.00 93.38 N +ATOM 2076 CA PRO A 261 -11.732 -0.487 -15.515 1.00 93.38 C +ATOM 2077 C PRO A 261 -10.458 0.156 -16.079 1.00 93.38 C +ATOM 2078 CB PRO A 261 -12.971 0.087 -16.209 1.00 93.38 C +ATOM 2079 O PRO A 261 -9.788 -0.458 -16.903 1.00 93.38 O +ATOM 2080 CG PRO A 261 -14.084 -0.225 -15.220 1.00 93.38 C +ATOM 2081 CD PRO A 261 -13.398 0.005 -13.876 1.00 93.38 C +ATOM 2082 N GLU A 262 -10.134 1.367 -15.637 1.00 95.00 N +ATOM 2083 CA GLU A 262 -8.989 2.174 -16.062 1.00 95.00 C +ATOM 2084 C GLU A 262 -7.630 1.602 -15.611 1.00 95.00 C +ATOM 2085 CB GLU A 262 -9.158 3.598 -15.494 1.00 95.00 C +ATOM 2086 O GLU A 262 -6.604 1.921 -16.212 1.00 95.00 O +ATOM 2087 CG GLU A 262 -10.362 4.422 -15.999 1.00 95.00 C +ATOM 2088 CD GLU A 262 -11.746 4.106 -15.384 1.00 95.00 C +ATOM 2089 OE1 GLU A 262 -12.713 4.811 -15.757 1.00 95.00 O +ATOM 2090 OE2 GLU A 262 -11.886 3.143 -14.593 1.00 95.00 O +ATOM 2091 N TYR A 263 -7.627 0.749 -14.580 1.00 97.06 N +ATOM 2092 CA TYR A 263 -6.433 0.175 -13.942 1.00 97.06 C +ATOM 2093 C TYR A 263 -6.341 -1.346 -14.117 1.00 97.06 C +ATOM 2094 CB TYR A 263 -6.393 0.551 -12.451 1.00 97.06 C +ATOM 2095 O TYR A 263 -5.388 -1.957 -13.642 1.00 97.06 O +ATOM 2096 CG TYR A 263 -6.537 2.035 -12.192 1.00 97.06 C +ATOM 2097 CD1 TYR A 263 -5.407 2.876 -12.173 1.00 97.06 C +ATOM 2098 CD2 TYR A 263 -7.824 2.573 -12.022 1.00 97.06 C +ATOM 2099 CE1 TYR A 263 -5.575 4.267 -12.030 1.00 97.06 C +ATOM 2100 CE2 TYR A 263 -7.997 3.952 -11.854 1.00 97.06 C +ATOM 2101 OH TYR A 263 -7.072 6.122 -11.778 1.00 97.06 O +ATOM 2102 CZ TYR A 263 -6.875 4.795 -11.880 1.00 97.06 C +ATOM 2103 N LEU A 264 -7.304 -1.975 -14.802 1.00 96.50 N +ATOM 2104 CA LEU A 264 -7.279 -3.418 -15.047 1.00 96.50 C +ATOM 2105 C LEU A 264 -6.033 -3.818 -15.845 1.00 96.50 C +ATOM 2106 CB LEU A 264 -8.555 -3.879 -15.777 1.00 96.50 C +ATOM 2107 O LEU A 264 -5.736 -3.238 -16.892 1.00 96.50 O +ATOM 2108 CG LEU A 264 -9.832 -3.860 -14.922 1.00 96.50 C +ATOM 2109 CD1 LEU A 264 -11.039 -4.267 -15.769 1.00 96.50 C +ATOM 2110 CD2 LEU A 264 -9.764 -4.823 -13.738 1.00 96.50 C +ATOM 2111 N ALA A 265 -5.337 -4.847 -15.365 1.00 97.12 N +ATOM 2112 CA ALA A 265 -4.202 -5.428 -16.066 1.00 97.12 C +ATOM 2113 C ALA A 265 -4.659 -6.264 -17.284 1.00 97.12 C +ATOM 2114 CB ALA A 265 -3.352 -6.226 -15.072 1.00 97.12 C +ATOM 2115 O ALA A 265 -5.759 -6.836 -17.263 1.00 97.12 O +ATOM 2116 N PRO A 266 -3.834 -6.390 -18.342 1.00 97.50 N +ATOM 2117 CA PRO A 266 -4.196 -7.124 -19.555 1.00 97.50 C +ATOM 2118 C PRO A 266 -4.611 -8.577 -19.303 1.00 97.50 C +ATOM 2119 CB PRO A 266 -2.956 -7.054 -20.454 1.00 97.50 C +ATOM 2120 O PRO A 266 -5.553 -9.067 -19.921 1.00 97.50 O +ATOM 2121 CG PRO A 266 -2.309 -5.741 -20.031 1.00 97.50 C +ATOM 2122 CD PRO A 266 -2.553 -5.724 -18.527 1.00 97.50 C +ATOM 2123 N GLU A 267 -3.951 -9.274 -18.383 1.00 96.69 N +ATOM 2124 CA GLU A 267 -4.265 -10.657 -18.014 1.00 96.69 C +ATOM 2125 C GLU A 267 -5.641 -10.801 -17.339 1.00 96.69 C +ATOM 2126 CB GLU A 267 -3.136 -11.248 -17.150 1.00 96.69 C +ATOM 2127 O GLU A 267 -6.324 -11.808 -17.543 1.00 96.69 O +ATOM 2128 CG GLU A 267 -2.855 -10.546 -15.809 1.00 96.69 C +ATOM 2129 CD GLU A 267 -1.866 -9.372 -15.879 1.00 96.69 C +ATOM 2130 OE1 GLU A 267 -1.211 -9.118 -14.856 1.00 96.69 O +ATOM 2131 OE2 GLU A 267 -1.713 -8.706 -16.927 1.00 96.69 O +ATOM 2132 N VAL A 268 -6.100 -9.773 -16.612 1.00 96.25 N +ATOM 2133 CA VAL A 268 -7.445 -9.741 -16.015 1.00 96.25 C +ATOM 2134 C VAL A 268 -8.496 -9.566 -17.112 1.00 96.25 C +ATOM 2135 CB VAL A 268 -7.581 -8.635 -14.945 1.00 96.25 C +ATOM 2136 O VAL A 268 -9.510 -10.264 -17.110 1.00 96.25 O +ATOM 2137 CG1 VAL A 268 -8.955 -8.702 -14.260 1.00 96.25 C +ATOM 2138 CG2 VAL A 268 -6.515 -8.759 -13.850 1.00 96.25 C +ATOM 2139 N LEU A 269 -8.235 -8.699 -18.099 1.00 95.31 N +ATOM 2140 CA LEU A 269 -9.112 -8.510 -19.263 1.00 95.31 C +ATOM 2141 C LEU A 269 -9.225 -9.771 -20.128 1.00 95.31 C +ATOM 2142 CB LEU A 269 -8.628 -7.319 -20.104 1.00 95.31 C +ATOM 2143 O LEU A 269 -10.319 -10.102 -20.586 1.00 95.31 O +ATOM 2144 CG LEU A 269 -8.773 -5.943 -19.434 1.00 95.31 C +ATOM 2145 CD1 LEU A 269 -8.282 -4.875 -20.407 1.00 95.31 C +ATOM 2146 CD2 LEU A 269 -10.223 -5.611 -19.072 1.00 95.31 C +ATOM 2147 N HIS A 270 -8.132 -10.522 -20.279 1.00 93.81 N +ATOM 2148 CA HIS A 270 -8.139 -11.833 -20.935 1.00 93.81 C +ATOM 2149 C HIS A 270 -8.819 -12.939 -20.110 1.00 93.81 C +ATOM 2150 CB HIS A 270 -6.704 -12.238 -21.291 1.00 93.81 C +ATOM 2151 O HIS A 270 -8.924 -14.067 -20.593 1.00 93.81 O +ATOM 2152 CG HIS A 270 -6.125 -11.466 -22.441 1.00 93.81 C +ATOM 2153 CD2 HIS A 270 -6.349 -11.696 -23.771 1.00 93.81 C +ATOM 2154 ND1 HIS A 270 -5.190 -10.467 -22.354 1.00 93.81 N +ATOM 2155 CE1 HIS A 270 -4.828 -10.129 -23.602 1.00 93.81 C +ATOM 2156 NE2 HIS A 270 -5.527 -10.835 -24.501 1.00 93.81 N +ATOM 2157 N LYS A 271 -9.282 -12.651 -18.882 1.00 92.25 N +ATOM 2158 CA LYS A 271 -9.857 -13.630 -17.941 1.00 92.25 C +ATOM 2159 C LYS A 271 -8.914 -14.803 -17.650 1.00 92.25 C +ATOM 2160 CB LYS A 271 -11.241 -14.107 -18.414 1.00 92.25 C +ATOM 2161 O LYS A 271 -9.358 -15.927 -17.420 1.00 92.25 O +ATOM 2162 CG LYS A 271 -12.234 -12.969 -18.666 1.00 92.25 C +ATOM 2163 CD LYS A 271 -13.561 -13.567 -19.139 1.00 92.25 C +ATOM 2164 CE LYS A 271 -14.568 -12.449 -19.404 1.00 92.25 C +ATOM 2165 NZ LYS A 271 -15.855 -13.005 -19.890 1.00 92.25 N +ATOM 2166 N GLN A 272 -7.610 -14.547 -17.675 1.00 92.44 N +ATOM 2167 CA GLN A 272 -6.598 -15.541 -17.339 1.00 92.44 C +ATOM 2168 C GLN A 272 -6.385 -15.571 -15.821 1.00 92.44 C +ATOM 2169 CB GLN A 272 -5.299 -15.224 -18.088 1.00 92.44 C +ATOM 2170 O GLN A 272 -6.523 -14.532 -15.171 1.00 92.44 O +ATOM 2171 CG GLN A 272 -5.457 -15.462 -19.598 1.00 92.44 C +ATOM 2172 CD GLN A 272 -4.236 -15.029 -20.402 1.00 92.44 C +ATOM 2173 NE2 GLN A 272 -4.109 -15.475 -21.631 1.00 92.44 N +ATOM 2174 OE1 GLN A 272 -3.382 -14.282 -19.956 1.00 92.44 O +ATOM 2175 N PRO A 273 -6.020 -16.723 -15.228 1.00 93.25 N +ATOM 2176 CA PRO A 273 -5.565 -16.755 -13.844 1.00 93.25 C +ATOM 2177 C PRO A 273 -4.346 -15.849 -13.690 1.00 93.25 C +ATOM 2178 CB PRO A 273 -5.220 -18.217 -13.538 1.00 93.25 C +ATOM 2179 O PRO A 273 -3.397 -16.002 -14.456 1.00 93.25 O +ATOM 2180 CG PRO A 273 -5.965 -19.004 -14.614 1.00 93.25 C +ATOM 2181 CD PRO A 273 -5.980 -18.055 -15.810 1.00 93.25 C +ATOM 2182 N TYR A 274 -4.365 -14.926 -12.734 1.00 93.94 N +ATOM 2183 CA TYR A 274 -3.328 -13.921 -12.496 1.00 93.94 C +ATOM 2184 C TYR A 274 -2.786 -13.996 -11.067 1.00 93.94 C +ATOM 2185 CB TYR A 274 -3.873 -12.531 -12.852 1.00 93.94 C +ATOM 2186 O TYR A 274 -3.408 -14.586 -10.184 1.00 93.94 O +ATOM 2187 CG TYR A 274 -5.057 -12.089 -12.013 1.00 93.94 C +ATOM 2188 CD1 TYR A 274 -6.370 -12.296 -12.476 1.00 93.94 C +ATOM 2189 CD2 TYR A 274 -4.842 -11.483 -10.762 1.00 93.94 C +ATOM 2190 CE1 TYR A 274 -7.469 -11.900 -11.690 1.00 93.94 C +ATOM 2191 CE2 TYR A 274 -5.935 -11.072 -9.981 1.00 93.94 C +ATOM 2192 OH TYR A 274 -8.301 -10.955 -9.637 1.00 93.94 O +ATOM 2193 CZ TYR A 274 -7.250 -11.287 -10.436 1.00 93.94 C +ATOM 2194 N ASP A 275 -1.608 -13.423 -10.853 1.00 94.31 N +ATOM 2195 CA ASP A 275 -0.872 -13.434 -9.586 1.00 94.31 C +ATOM 2196 C ASP A 275 -0.713 -12.001 -9.039 1.00 94.31 C +ATOM 2197 CB ASP A 275 0.466 -14.173 -9.811 1.00 94.31 C +ATOM 2198 O ASP A 275 -1.388 -11.070 -9.484 1.00 94.31 O +ATOM 2199 CG ASP A 275 1.300 -13.555 -10.937 1.00 94.31 C +ATOM 2200 OD1 ASP A 275 1.354 -12.307 -10.979 1.00 94.31 O +ATOM 2201 OD2 ASP A 275 1.784 -14.301 -11.814 1.00 94.31 O +ATOM 2202 N ARG A 276 0.176 -11.821 -8.057 1.00 95.44 N +ATOM 2203 CA ARG A 276 0.473 -10.535 -7.406 1.00 95.44 C +ATOM 2204 C ARG A 276 0.952 -9.426 -8.359 1.00 95.44 C +ATOM 2205 CB ARG A 276 1.488 -10.788 -6.278 1.00 95.44 C +ATOM 2206 O ARG A 276 0.858 -8.251 -8.026 1.00 95.44 O +ATOM 2207 CG ARG A 276 2.899 -11.082 -6.820 1.00 95.44 C +ATOM 2208 CD ARG A 276 3.922 -11.332 -5.717 1.00 95.44 C +ATOM 2209 NE ARG A 276 3.844 -12.687 -5.156 1.00 95.44 N +ATOM 2210 NH1 ARG A 276 5.259 -12.278 -3.379 1.00 95.44 N +ATOM 2211 NH2 ARG A 276 4.244 -14.225 -3.547 1.00 95.44 N +ATOM 2212 CZ ARG A 276 4.457 -13.054 -4.050 1.00 95.44 C +ATOM 2213 N THR A 277 1.438 -9.765 -9.559 1.00 96.81 N +ATOM 2214 CA THR A 277 1.991 -8.783 -10.514 1.00 96.81 C +ATOM 2215 C THR A 277 0.954 -7.804 -11.067 1.00 96.81 C +ATOM 2216 CB THR A 277 2.699 -9.454 -11.698 1.00 96.81 C +ATOM 2217 O THR A 277 1.326 -6.791 -11.671 1.00 96.81 O +ATOM 2218 CG2 THR A 277 3.887 -10.317 -11.278 1.00 96.81 C +ATOM 2219 OG1 THR A 277 1.790 -10.240 -12.425 1.00 96.81 O +ATOM 2220 N VAL A 278 -0.342 -8.059 -10.851 1.00 97.31 N +ATOM 2221 CA VAL A 278 -1.412 -7.101 -11.163 1.00 97.31 C +ATOM 2222 C VAL A 278 -1.283 -5.810 -10.356 1.00 97.31 C +ATOM 2223 CB VAL A 278 -2.814 -7.702 -10.959 1.00 97.31 C +ATOM 2224 O VAL A 278 -1.569 -4.740 -10.884 1.00 97.31 O +ATOM 2225 CG1 VAL A 278 -3.032 -8.879 -11.913 1.00 97.31 C +ATOM 2226 CG2 VAL A 278 -3.108 -8.139 -9.516 1.00 97.31 C +ATOM 2227 N ASP A 279 -0.785 -5.872 -9.120 1.00 97.94 N +ATOM 2228 CA ASP A 279 -0.618 -4.679 -8.285 1.00 97.94 C +ATOM 2229 C ASP A 279 0.502 -3.773 -8.815 1.00 97.94 C +ATOM 2230 CB ASP A 279 -0.379 -5.095 -6.826 1.00 97.94 C +ATOM 2231 O ASP A 279 0.382 -2.547 -8.774 1.00 97.94 O +ATOM 2232 CG ASP A 279 -1.652 -5.582 -6.124 1.00 97.94 C +ATOM 2233 OD1 ASP A 279 -2.767 -5.363 -6.655 1.00 97.94 O +ATOM 2234 OD2 ASP A 279 -1.564 -6.135 -5.012 1.00 97.94 O +ATOM 2235 N TRP A 280 1.544 -4.357 -9.417 1.00 98.62 N +ATOM 2236 CA TRP A 280 2.613 -3.605 -10.081 1.00 98.62 C +ATOM 2237 C TRP A 280 2.142 -2.923 -11.367 1.00 98.62 C +ATOM 2238 CB TRP A 280 3.822 -4.519 -10.325 1.00 98.62 C +ATOM 2239 O TRP A 280 2.536 -1.787 -11.638 1.00 98.62 O +ATOM 2240 CG TRP A 280 4.385 -5.152 -9.088 1.00 98.62 C +ATOM 2241 CD1 TRP A 280 4.706 -6.458 -8.943 1.00 98.62 C +ATOM 2242 CD2 TRP A 280 4.708 -4.522 -7.805 1.00 98.62 C +ATOM 2243 CE2 TRP A 280 5.180 -5.531 -6.917 1.00 98.62 C +ATOM 2244 CE3 TRP A 280 4.652 -3.205 -7.294 1.00 98.62 C +ATOM 2245 NE1 TRP A 280 5.154 -6.687 -7.657 1.00 98.62 N +ATOM 2246 CH2 TRP A 280 5.464 -3.947 -5.111 1.00 98.62 C +ATOM 2247 CZ2 TRP A 280 5.546 -5.263 -5.592 1.00 98.62 C +ATOM 2248 CZ3 TRP A 280 5.027 -2.922 -5.967 1.00 98.62 C +ATOM 2249 N TRP A 281 1.232 -3.553 -12.117 1.00 98.56 N +ATOM 2250 CA TRP A 281 0.553 -2.881 -13.228 1.00 98.56 C +ATOM 2251 C TRP A 281 -0.234 -1.663 -12.735 1.00 98.56 C +ATOM 2252 CB TRP A 281 -0.375 -3.856 -13.955 1.00 98.56 C +ATOM 2253 O TRP A 281 -0.083 -0.566 -13.278 1.00 98.56 O +ATOM 2254 CG TRP A 281 -1.224 -3.211 -15.001 1.00 98.56 C +ATOM 2255 CD1 TRP A 281 -2.417 -2.607 -14.790 1.00 98.56 C +ATOM 2256 CD2 TRP A 281 -0.954 -3.079 -16.424 1.00 98.56 C +ATOM 2257 CE2 TRP A 281 -2.029 -2.353 -17.019 1.00 98.56 C +ATOM 2258 CE3 TRP A 281 0.087 -3.510 -17.274 1.00 98.56 C +ATOM 2259 NE1 TRP A 281 -2.897 -2.101 -15.980 1.00 98.56 N +ATOM 2260 CH2 TRP A 281 -1.030 -2.538 -19.216 1.00 98.56 C +ATOM 2261 CZ2 TRP A 281 -2.070 -2.074 -18.392 1.00 98.56 C +ATOM 2262 CZ3 TRP A 281 0.045 -3.252 -18.657 1.00 98.56 C +ATOM 2263 N CYS A 282 -1.028 -1.830 -11.673 1.00 98.25 N +ATOM 2264 CA CYS A 282 -1.801 -0.734 -11.100 1.00 98.25 C +ATOM 2265 C CYS A 282 -0.890 0.391 -10.581 1.00 98.25 C +ATOM 2266 CB CYS A 282 -2.709 -1.261 -9.989 1.00 98.25 C +ATOM 2267 O CYS A 282 -1.186 1.562 -10.818 1.00 98.25 O +ATOM 2268 SG CYS A 282 -3.883 -2.496 -10.610 1.00 98.25 S +ATOM 2269 N LEU A 283 0.245 0.068 -9.943 1.00 98.69 N +ATOM 2270 CA LEU A 283 1.250 1.060 -9.539 1.00 98.69 C +ATOM 2271 C LEU A 283 1.763 1.849 -10.750 1.00 98.69 C +ATOM 2272 CB LEU A 283 2.410 0.365 -8.800 1.00 98.69 C +ATOM 2273 O LEU A 283 1.853 3.075 -10.690 1.00 98.69 O +ATOM 2274 CG LEU A 283 3.573 1.310 -8.426 1.00 98.69 C +ATOM 2275 CD1 LEU A 283 3.151 2.388 -7.428 1.00 98.69 C +ATOM 2276 CD2 LEU A 283 4.726 0.517 -7.816 1.00 98.69 C +ATOM 2277 N GLY A 284 2.060 1.164 -11.857 1.00 98.69 N +ATOM 2278 CA GLY A 284 2.452 1.799 -13.113 1.00 98.69 C +ATOM 2279 C GLY A 284 1.374 2.735 -13.660 1.00 98.69 C +ATOM 2280 O GLY A 284 1.684 3.849 -14.081 1.00 98.69 O +ATOM 2281 N ALA A 285 0.107 2.321 -13.611 1.00 98.50 N +ATOM 2282 CA ALA A 285 -1.023 3.116 -14.086 1.00 98.50 C +ATOM 2283 C ALA A 285 -1.252 4.369 -13.224 1.00 98.50 C +ATOM 2284 CB ALA A 285 -2.258 2.211 -14.157 1.00 98.50 C +ATOM 2285 O ALA A 285 -1.396 5.462 -13.772 1.00 98.50 O +ATOM 2286 N VAL A 286 -1.194 4.239 -11.894 1.00 98.44 N +ATOM 2287 CA VAL A 286 -1.288 5.371 -10.956 1.00 98.44 C +ATOM 2288 C VAL A 286 -0.094 6.315 -11.107 1.00 98.44 C +ATOM 2289 CB VAL A 286 -1.420 4.863 -9.505 1.00 98.44 C +ATOM 2290 O VAL A 286 -0.273 7.530 -11.150 1.00 98.44 O +ATOM 2291 CG1 VAL A 286 -1.320 5.991 -8.469 1.00 98.44 C +ATOM 2292 CG2 VAL A 286 -2.779 4.184 -9.298 1.00 98.44 C +ATOM 2293 N LEU A 287 1.131 5.795 -11.246 1.00 98.62 N +ATOM 2294 CA LEU A 287 2.317 6.622 -11.493 1.00 98.62 C +ATOM 2295 C LEU A 287 2.206 7.388 -12.816 1.00 98.62 C +ATOM 2296 CB LEU A 287 3.579 5.742 -11.444 1.00 98.62 C +ATOM 2297 O LEU A 287 2.512 8.580 -12.865 1.00 98.62 O +ATOM 2298 CG LEU A 287 4.885 6.488 -11.784 1.00 98.62 C +ATOM 2299 CD1 LEU A 287 5.159 7.676 -10.859 1.00 98.62 C +ATOM 2300 CD2 LEU A 287 6.070 5.531 -11.693 1.00 98.62 C +ATOM 2301 N TYR A 288 1.741 6.727 -13.876 1.00 98.50 N +ATOM 2302 CA TYR A 288 1.489 7.372 -15.161 1.00 98.50 C +ATOM 2303 C TYR A 288 0.481 8.514 -15.006 1.00 98.50 C +ATOM 2304 CB TYR A 288 0.991 6.328 -16.169 1.00 98.50 C +ATOM 2305 O TYR A 288 0.723 9.621 -15.488 1.00 98.50 O +ATOM 2306 CG TYR A 288 0.813 6.874 -17.571 1.00 98.50 C +ATOM 2307 CD1 TYR A 288 -0.286 7.696 -17.876 1.00 98.50 C +ATOM 2308 CD2 TYR A 288 1.757 6.576 -18.568 1.00 98.50 C +ATOM 2309 CE1 TYR A 288 -0.416 8.276 -19.152 1.00 98.50 C +ATOM 2310 CE2 TYR A 288 1.603 7.110 -19.861 1.00 98.50 C +ATOM 2311 OH TYR A 288 0.438 8.528 -21.394 1.00 98.50 O +ATOM 2312 CZ TYR A 288 0.534 7.982 -20.152 1.00 98.50 C +ATOM 2313 N GLU A 289 -0.627 8.272 -14.308 1.00 97.94 N +ATOM 2314 CA GLU A 289 -1.658 9.282 -14.091 1.00 97.94 C +ATOM 2315 C GLU A 289 -1.149 10.453 -13.248 1.00 97.94 C +ATOM 2316 CB GLU A 289 -2.865 8.633 -13.429 1.00 97.94 C +ATOM 2317 O GLU A 289 -1.406 11.603 -13.594 1.00 97.94 O +ATOM 2318 CG GLU A 289 -4.092 9.555 -13.498 1.00 97.94 C +ATOM 2319 CD GLU A 289 -5.271 9.001 -12.709 1.00 97.94 C +ATOM 2320 OE1 GLU A 289 -6.346 9.647 -12.739 1.00 97.94 O +ATOM 2321 OE2 GLU A 289 -5.070 7.937 -12.097 1.00 97.94 O +ATOM 2322 N MET A 290 -0.345 10.206 -12.211 1.00 98.19 N +ATOM 2323 CA MET A 290 0.308 11.286 -11.469 1.00 98.19 C +ATOM 2324 C MET A 290 1.174 12.156 -12.390 1.00 98.19 C +ATOM 2325 CB MET A 290 1.161 10.724 -10.325 1.00 98.19 C +ATOM 2326 O MET A 290 1.148 13.376 -12.273 1.00 98.19 O +ATOM 2327 CG MET A 290 0.315 10.200 -9.161 1.00 98.19 C +ATOM 2328 SD MET A 290 1.274 9.831 -7.663 1.00 98.19 S +ATOM 2329 CE MET A 290 2.234 8.387 -8.193 1.00 98.19 C +ATOM 2330 N LEU A 291 1.916 11.561 -13.327 1.00 97.69 N +ATOM 2331 CA LEU A 291 2.843 12.284 -14.208 1.00 97.69 C +ATOM 2332 C LEU A 291 2.161 12.967 -15.408 1.00 97.69 C +ATOM 2333 CB LEU A 291 3.924 11.296 -14.681 1.00 97.69 C +ATOM 2334 O LEU A 291 2.664 13.978 -15.908 1.00 97.69 O +ATOM 2335 CG LEU A 291 4.859 10.801 -13.560 1.00 97.69 C +ATOM 2336 CD1 LEU A 291 5.715 9.645 -14.077 1.00 97.69 C +ATOM 2337 CD2 LEU A 291 5.798 11.900 -13.059 1.00 97.69 C +ATOM 2338 N TYR A 292 1.035 12.433 -15.889 1.00 96.56 N +ATOM 2339 CA TYR A 292 0.392 12.871 -17.137 1.00 96.56 C +ATOM 2340 C TYR A 292 -1.067 13.327 -17.002 1.00 96.56 C +ATOM 2341 CB TYR A 292 0.527 11.757 -18.183 1.00 96.56 C +ATOM 2342 O TYR A 292 -1.603 13.900 -17.954 1.00 96.56 O +ATOM 2343 CG TYR A 292 1.954 11.443 -18.595 1.00 96.56 C +ATOM 2344 CD1 TYR A 292 2.777 12.456 -19.123 1.00 96.56 C +ATOM 2345 CD2 TYR A 292 2.466 10.142 -18.450 1.00 96.56 C +ATOM 2346 CE1 TYR A 292 4.085 12.148 -19.535 1.00 96.56 C +ATOM 2347 CE2 TYR A 292 3.754 9.821 -18.918 1.00 96.56 C +ATOM 2348 OH TYR A 292 5.777 10.526 -20.013 1.00 96.56 O +ATOM 2349 CZ TYR A 292 4.559 10.825 -19.488 1.00 96.56 C +ATOM 2350 N GLY A 293 -1.688 13.113 -15.844 1.00 95.19 N +ATOM 2351 CA GLY A 293 -3.034 13.559 -15.477 1.00 95.19 C +ATOM 2352 C GLY A 293 -4.189 12.652 -15.895 1.00 95.19 C +ATOM 2353 O GLY A 293 -5.332 12.940 -15.553 1.00 95.19 O +ATOM 2354 N LEU A 294 -3.920 11.588 -16.654 1.00 94.81 N +ATOM 2355 CA LEU A 294 -4.900 10.570 -17.044 1.00 94.81 C +ATOM 2356 C LEU A 294 -4.237 9.187 -17.069 1.00 94.81 C +ATOM 2357 CB LEU A 294 -5.477 10.874 -18.439 1.00 94.81 C +ATOM 2358 O LEU A 294 -3.041 9.125 -17.362 1.00 94.81 O +ATOM 2359 CG LEU A 294 -6.431 12.077 -18.505 1.00 94.81 C +ATOM 2360 CD1 LEU A 294 -6.814 12.332 -19.965 1.00 94.81 C +ATOM 2361 CD2 LEU A 294 -7.723 11.840 -17.719 1.00 94.81 C +ATOM 2362 N PRO A 295 -4.986 8.094 -16.836 1.00 96.44 N +ATOM 2363 CA PRO A 295 -4.472 6.735 -16.984 1.00 96.44 C +ATOM 2364 C PRO A 295 -3.927 6.468 -18.402 1.00 96.44 C +ATOM 2365 CB PRO A 295 -5.642 5.807 -16.628 1.00 96.44 C +ATOM 2366 O PRO A 295 -4.425 7.047 -19.376 1.00 96.44 O +ATOM 2367 CG PRO A 295 -6.516 6.670 -15.720 1.00 96.44 C +ATOM 2368 CD PRO A 295 -6.342 8.067 -16.301 1.00 96.44 C +ATOM 2369 N PRO A 296 -2.950 5.555 -18.563 1.00 97.12 N +ATOM 2370 CA PRO A 296 -2.173 5.394 -19.801 1.00 97.12 C +ATOM 2371 C PRO A 296 -2.996 5.039 -21.043 1.00 97.12 C +ATOM 2372 CB PRO A 296 -1.138 4.303 -19.487 1.00 97.12 C +ATOM 2373 O PRO A 296 -2.643 5.418 -22.161 1.00 97.12 O +ATOM 2374 CG PRO A 296 -1.720 3.554 -18.288 1.00 97.12 C +ATOM 2375 CD PRO A 296 -2.472 4.643 -17.535 1.00 97.12 C +ATOM 2376 N PHE A 297 -4.100 4.318 -20.855 1.00 97.62 N +ATOM 2377 CA PHE A 297 -4.922 3.768 -21.935 1.00 97.62 C +ATOM 2378 C PHE A 297 -6.355 4.314 -21.934 1.00 97.62 C +ATOM 2379 CB PHE A 297 -4.854 2.239 -21.851 1.00 97.62 C +ATOM 2380 O PHE A 297 -7.234 3.750 -22.586 1.00 97.62 O +ATOM 2381 CG PHE A 297 -3.440 1.694 -21.919 1.00 97.62 C +ATOM 2382 CD1 PHE A 297 -2.671 1.847 -23.090 1.00 97.62 C +ATOM 2383 CD2 PHE A 297 -2.869 1.080 -20.789 1.00 97.62 C +ATOM 2384 CE1 PHE A 297 -1.340 1.396 -23.127 1.00 97.62 C +ATOM 2385 CE2 PHE A 297 -1.536 0.636 -20.824 1.00 97.62 C +ATOM 2386 CZ PHE A 297 -0.771 0.791 -21.992 1.00 97.62 C +ATOM 2387 N TYR A 298 -6.589 5.412 -21.209 1.00 95.44 N +ATOM 2388 CA TYR A 298 -7.920 5.959 -20.968 1.00 95.44 C +ATOM 2389 C TYR A 298 -8.693 6.255 -22.264 1.00 95.44 C +ATOM 2390 CB TYR A 298 -7.792 7.220 -20.103 1.00 95.44 C +ATOM 2391 O TYR A 298 -8.202 6.937 -23.167 1.00 95.44 O +ATOM 2392 CG TYR A 298 -9.128 7.838 -19.743 1.00 95.44 C +ATOM 2393 CD1 TYR A 298 -9.613 8.948 -20.463 1.00 95.44 C +ATOM 2394 CD2 TYR A 298 -9.901 7.274 -18.713 1.00 95.44 C +ATOM 2395 CE1 TYR A 298 -10.872 9.496 -20.146 1.00 95.44 C +ATOM 2396 CE2 TYR A 298 -11.160 7.815 -18.393 1.00 95.44 C +ATOM 2397 OH TYR A 298 -12.864 9.452 -18.809 1.00 95.44 O +ATOM 2398 CZ TYR A 298 -11.646 8.929 -19.111 1.00 95.44 C +ATOM 2399 N SER A 299 -9.945 5.795 -22.316 1.00 95.19 N +ATOM 2400 CA SER A 299 -10.961 6.261 -23.263 1.00 95.19 C +ATOM 2401 C SER A 299 -12.301 6.402 -22.545 1.00 95.19 C +ATOM 2402 CB SER A 299 -11.101 5.350 -24.496 1.00 95.19 C +ATOM 2403 O SER A 299 -12.607 5.679 -21.599 1.00 95.19 O +ATOM 2404 OG SER A 299 -12.170 5.848 -25.294 1.00 95.19 O +ATOM 2405 N ARG A 300 -13.140 7.320 -23.037 1.00 93.62 N +ATOM 2406 CA ARG A 300 -14.537 7.445 -22.596 1.00 93.62 C +ATOM 2407 C ARG A 300 -15.374 6.226 -22.980 1.00 93.62 C +ATOM 2408 CB ARG A 300 -15.174 8.696 -23.207 1.00 93.62 C +ATOM 2409 O ARG A 300 -16.400 5.977 -22.353 1.00 93.62 O +ATOM 2410 CG ARG A 300 -14.542 9.987 -22.684 1.00 93.62 C +ATOM 2411 CD ARG A 300 -15.285 11.176 -23.297 1.00 93.62 C +ATOM 2412 NE ARG A 300 -14.733 12.453 -22.818 1.00 93.62 N +ATOM 2413 NH1 ARG A 300 -16.187 13.826 -23.941 1.00 93.62 N +ATOM 2414 NH2 ARG A 300 -14.591 14.714 -22.651 1.00 93.62 N +ATOM 2415 CZ ARG A 300 -15.172 13.655 -23.138 1.00 93.62 C +ATOM 2416 N ASN A 301 -14.976 5.508 -24.029 1.00 95.94 N +ATOM 2417 CA ASN A 301 -15.602 4.257 -24.417 1.00 95.94 C +ATOM 2418 C ASN A 301 -14.861 3.102 -23.737 1.00 95.94 C +ATOM 2419 CB ASN A 301 -15.626 4.163 -25.951 1.00 95.94 C +ATOM 2420 O ASN A 301 -13.690 2.861 -24.015 1.00 95.94 O +ATOM 2421 CG ASN A 301 -16.353 2.922 -26.441 1.00 95.94 C +ATOM 2422 ND2 ASN A 301 -17.060 3.013 -27.539 1.00 95.94 N +ATOM 2423 OD1 ASN A 301 -16.330 1.864 -25.836 1.00 95.94 O +ATOM 2424 N THR A 302 -15.554 2.366 -22.868 1.00 94.69 N +ATOM 2425 CA THR A 302 -14.968 1.243 -22.124 1.00 94.69 C +ATOM 2426 C THR A 302 -14.417 0.147 -23.040 1.00 94.69 C +ATOM 2427 CB THR A 302 -16.012 0.642 -21.173 1.00 94.69 C +ATOM 2428 O THR A 302 -13.368 -0.409 -22.738 1.00 94.69 O +ATOM 2429 CG2 THR A 302 -15.416 -0.363 -20.193 1.00 94.69 C +ATOM 2430 OG1 THR A 302 -16.614 1.665 -20.410 1.00 94.69 O +ATOM 2431 N ALA A 303 -15.069 -0.141 -24.171 1.00 95.56 N +ATOM 2432 CA ALA A 303 -14.589 -1.149 -25.115 1.00 95.56 C +ATOM 2433 C ALA A 303 -13.290 -0.707 -25.807 1.00 95.56 C +ATOM 2434 CB ALA A 303 -15.698 -1.451 -26.131 1.00 95.56 C +ATOM 2435 O ALA A 303 -12.356 -1.493 -25.917 1.00 95.56 O +ATOM 2436 N GLU A 304 -13.203 0.566 -26.203 1.00 97.12 N +ATOM 2437 CA GLU A 304 -11.972 1.147 -26.758 1.00 97.12 C +ATOM 2438 C GLU A 304 -10.861 1.206 -25.705 1.00 97.12 C +ATOM 2439 CB GLU A 304 -12.275 2.560 -27.266 1.00 97.12 C +ATOM 2440 O GLU A 304 -9.705 0.943 -26.004 1.00 97.12 O +ATOM 2441 CG GLU A 304 -11.117 3.191 -28.059 1.00 97.12 C +ATOM 2442 CD GLU A 304 -11.303 4.699 -28.273 1.00 97.12 C +ATOM 2443 OE1 GLU A 304 -10.337 5.350 -28.724 1.00 97.12 O +ATOM 2444 OE2 GLU A 304 -12.362 5.236 -27.864 1.00 97.12 O +ATOM 2445 N MET A 305 -11.195 1.519 -24.452 1.00 97.19 N +ATOM 2446 CA MET A 305 -10.227 1.511 -23.358 1.00 97.19 C +ATOM 2447 C MET A 305 -9.655 0.110 -23.127 1.00 97.19 C +ATOM 2448 CB MET A 305 -10.892 2.054 -22.094 1.00 97.19 C +ATOM 2449 O MET A 305 -8.445 -0.031 -22.979 1.00 97.19 O +ATOM 2450 CG MET A 305 -9.895 2.151 -20.940 1.00 97.19 C +ATOM 2451 SD MET A 305 -10.538 3.084 -19.540 1.00 97.19 S +ATOM 2452 CE MET A 305 -11.799 1.932 -18.942 1.00 97.19 C +ATOM 2453 N TYR A 306 -10.495 -0.928 -23.141 1.00 97.25 N +ATOM 2454 CA TYR A 306 -10.027 -2.310 -23.047 1.00 97.25 C +ATOM 2455 C TYR A 306 -9.146 -2.686 -24.237 1.00 97.25 C +ATOM 2456 CB TYR A 306 -11.222 -3.262 -22.899 1.00 97.25 C +ATOM 2457 O TYR A 306 -8.064 -3.228 -24.030 1.00 97.25 O +ATOM 2458 CG TYR A 306 -12.018 -3.156 -21.605 1.00 97.25 C +ATOM 2459 CD1 TYR A 306 -11.540 -2.426 -20.494 1.00 97.25 C +ATOM 2460 CD2 TYR A 306 -13.240 -3.848 -21.502 1.00 97.25 C +ATOM 2461 CE1 TYR A 306 -12.265 -2.395 -19.293 1.00 97.25 C +ATOM 2462 CE2 TYR A 306 -13.976 -3.816 -20.301 1.00 97.25 C +ATOM 2463 OH TYR A 306 -14.183 -3.073 -18.029 1.00 97.25 O +ATOM 2464 CZ TYR A 306 -13.485 -3.094 -19.194 1.00 97.25 C +ATOM 2465 N ASP A 307 -9.536 -2.322 -25.459 1.00 97.38 N +ATOM 2466 CA ASP A 307 -8.687 -2.519 -26.637 1.00 97.38 C +ATOM 2467 C ASP A 307 -7.340 -1.786 -26.505 1.00 97.38 C +ATOM 2468 CB ASP A 307 -9.442 -2.076 -27.894 1.00 97.38 C +ATOM 2469 O ASP A 307 -6.287 -2.364 -26.763 1.00 97.38 O +ATOM 2470 CG ASP A 307 -8.616 -2.391 -29.139 1.00 97.38 C +ATOM 2471 OD1 ASP A 307 -8.382 -3.597 -29.377 1.00 97.38 O +ATOM 2472 OD2 ASP A 307 -8.181 -1.437 -29.815 1.00 97.38 O +ATOM 2473 N ASN A 308 -7.332 -0.556 -25.985 1.00 97.75 N +ATOM 2474 CA ASN A 308 -6.105 0.194 -25.729 1.00 97.75 C +ATOM 2475 C ASN A 308 -5.204 -0.515 -24.702 1.00 97.75 C +ATOM 2476 CB ASN A 308 -6.444 1.623 -25.268 1.00 97.75 C +ATOM 2477 O ASN A 308 -4.001 -0.665 -24.939 1.00 97.75 O +ATOM 2478 CG ASN A 308 -7.029 2.514 -26.344 1.00 97.75 C +ATOM 2479 ND2 ASN A 308 -7.745 3.543 -25.956 1.00 97.75 N +ATOM 2480 OD1 ASN A 308 -6.742 2.397 -27.521 1.00 97.75 O +ATOM 2481 N ILE A 309 -5.772 -0.988 -23.586 1.00 97.50 N +ATOM 2482 CA ILE A 309 -5.038 -1.736 -22.551 1.00 97.50 C +ATOM 2483 C ILE A 309 -4.405 -2.999 -23.140 1.00 97.50 C +ATOM 2484 CB ILE A 309 -5.959 -2.085 -21.356 1.00 97.50 C +ATOM 2485 O ILE A 309 -3.271 -3.327 -22.790 1.00 97.50 O +ATOM 2486 CG1 ILE A 309 -6.334 -0.810 -20.567 1.00 97.50 C +ATOM 2487 CG2 ILE A 309 -5.275 -3.090 -20.407 1.00 97.50 C +ATOM 2488 CD1 ILE A 309 -7.503 -0.993 -19.592 1.00 97.50 C +ATOM 2489 N LEU A 310 -5.079 -3.675 -24.072 1.00 97.00 N +ATOM 2490 CA LEU A 310 -4.588 -4.906 -24.692 1.00 97.00 C +ATOM 2491 C LEU A 310 -3.590 -4.647 -25.828 1.00 97.00 C +ATOM 2492 CB LEU A 310 -5.792 -5.737 -25.167 1.00 97.00 C +ATOM 2493 O LEU A 310 -2.513 -5.231 -25.840 1.00 97.00 O +ATOM 2494 CG LEU A 310 -6.710 -6.240 -24.033 1.00 97.00 C +ATOM 2495 CD1 LEU A 310 -7.807 -7.128 -24.615 1.00 97.00 C +ATOM 2496 CD2 LEU A 310 -5.931 -7.007 -22.969 1.00 97.00 C +ATOM 2497 N ASN A 311 -3.857 -3.689 -26.713 1.00 96.81 N +ATOM 2498 CA ASN A 311 -3.193 -3.612 -28.019 1.00 96.81 C +ATOM 2499 C ASN A 311 -2.402 -2.319 -28.250 1.00 96.81 C +ATOM 2500 CB ASN A 311 -4.274 -3.816 -29.094 1.00 96.81 C +ATOM 2501 O ASN A 311 -1.387 -2.331 -28.948 1.00 96.81 O +ATOM 2502 CG ASN A 311 -4.923 -5.184 -28.975 1.00 96.81 C +ATOM 2503 ND2 ASN A 311 -6.228 -5.284 -29.017 1.00 96.81 N +ATOM 2504 OD1 ASN A 311 -4.255 -6.191 -28.815 1.00 96.81 O +ATOM 2505 N LYS A 312 -2.807 -1.194 -27.648 1.00 96.62 N +ATOM 2506 CA LYS A 312 -2.142 0.094 -27.887 1.00 96.62 C +ATOM 2507 C LYS A 312 -0.770 0.146 -27.197 1.00 96.62 C +ATOM 2508 CB LYS A 312 -3.069 1.242 -27.473 1.00 96.62 C +ATOM 2509 O LYS A 312 -0.677 -0.226 -26.022 1.00 96.62 O +ATOM 2510 CG LYS A 312 -2.555 2.629 -27.875 1.00 96.62 C +ATOM 2511 CD LYS A 312 -3.622 3.668 -27.531 1.00 96.62 C +ATOM 2512 CE LYS A 312 -3.161 5.085 -27.865 1.00 96.62 C +ATOM 2513 NZ LYS A 312 -4.245 6.047 -27.556 1.00 96.62 N +ATOM 2514 N PRO A 313 0.295 0.614 -27.877 1.00 96.38 N +ATOM 2515 CA PRO A 313 1.596 0.817 -27.247 1.00 96.38 C +ATOM 2516 C PRO A 313 1.546 1.950 -26.215 1.00 96.38 C +ATOM 2517 CB PRO A 313 2.568 1.121 -28.392 1.00 96.38 C +ATOM 2518 O PRO A 313 0.791 2.916 -26.365 1.00 96.38 O +ATOM 2519 CG PRO A 313 1.669 1.745 -29.458 1.00 96.38 C +ATOM 2520 CD PRO A 313 0.356 0.985 -29.286 1.00 96.38 C +ATOM 2521 N LEU A 314 2.378 1.844 -25.177 1.00 97.12 N +ATOM 2522 CA LEU A 314 2.523 2.879 -24.157 1.00 97.12 C +ATOM 2523 C LEU A 314 3.096 4.163 -24.777 1.00 97.12 C +ATOM 2524 CB LEU A 314 3.420 2.336 -23.029 1.00 97.12 C +ATOM 2525 O LEU A 314 4.132 4.135 -25.437 1.00 97.12 O +ATOM 2526 CG LEU A 314 3.632 3.317 -21.861 1.00 97.12 C +ATOM 2527 CD1 LEU A 314 2.325 3.620 -21.129 1.00 97.12 C +ATOM 2528 CD2 LEU A 314 4.638 2.726 -20.878 1.00 97.12 C +ATOM 2529 N GLN A 315 2.432 5.299 -24.554 1.00 95.50 N +ATOM 2530 CA GLN A 315 2.875 6.603 -25.053 1.00 95.50 C +ATOM 2531 C GLN A 315 3.448 7.450 -23.916 1.00 95.50 C +ATOM 2532 CB GLN A 315 1.721 7.331 -25.757 1.00 95.50 C +ATOM 2533 O GLN A 315 2.724 7.819 -22.988 1.00 95.50 O +ATOM 2534 CG GLN A 315 1.278 6.613 -27.040 1.00 95.50 C +ATOM 2535 CD GLN A 315 0.223 7.387 -27.825 1.00 95.50 C +ATOM 2536 NE2 GLN A 315 -0.033 7.008 -29.058 1.00 95.50 N +ATOM 2537 OE1 GLN A 315 -0.403 8.331 -27.370 1.00 95.50 O +ATOM 2538 N LEU A 316 4.734 7.797 -24.017 1.00 96.25 N +ATOM 2539 CA LEU A 316 5.457 8.585 -23.017 1.00 96.25 C +ATOM 2540 C LEU A 316 5.934 9.906 -23.619 1.00 96.25 C +ATOM 2541 CB LEU A 316 6.618 7.751 -22.442 1.00 96.25 C +ATOM 2542 O LEU A 316 6.732 9.936 -24.555 1.00 96.25 O +ATOM 2543 CG LEU A 316 6.151 6.465 -21.734 1.00 96.25 C +ATOM 2544 CD1 LEU A 316 7.338 5.641 -21.274 1.00 96.25 C +ATOM 2545 CD2 LEU A 316 5.317 6.757 -20.489 1.00 96.25 C +ATOM 2546 N LYS A 317 5.449 11.019 -23.066 1.00 92.75 N +ATOM 2547 CA LYS A 317 5.871 12.371 -23.461 1.00 92.75 C +ATOM 2548 C LYS A 317 7.280 12.676 -22.914 1.00 92.75 C +ATOM 2549 CB LYS A 317 4.832 13.393 -22.981 1.00 92.75 C +ATOM 2550 O LYS A 317 7.693 12.077 -21.917 1.00 92.75 O +ATOM 2551 CG LYS A 317 3.446 13.250 -23.621 1.00 92.75 C +ATOM 2552 CD LYS A 317 2.466 14.204 -22.922 1.00 92.75 C +ATOM 2553 CE LYS A 317 1.046 13.995 -23.454 1.00 92.75 C +ATOM 2554 NZ LYS A 317 0.051 14.739 -22.642 1.00 92.75 N +ATOM 2555 N PRO A 318 8.030 13.614 -23.523 1.00 91.69 N +ATOM 2556 CA PRO A 318 9.427 13.887 -23.160 1.00 91.69 C +ATOM 2557 C PRO A 318 9.630 14.597 -21.807 1.00 91.69 C +ATOM 2558 CB PRO A 318 9.986 14.710 -24.328 1.00 91.69 C +ATOM 2559 O PRO A 318 10.766 14.768 -21.388 1.00 91.69 O +ATOM 2560 CG PRO A 318 8.757 15.419 -24.889 1.00 91.69 C +ATOM 2561 CD PRO A 318 7.661 14.374 -24.710 1.00 91.69 C +ATOM 2562 N ASN A 319 8.570 14.996 -21.098 1.00 91.19 N +ATOM 2563 CA ASN A 319 8.636 15.774 -19.850 1.00 91.19 C +ATOM 2564 C ASN A 319 8.958 14.958 -18.580 1.00 91.19 C +ATOM 2565 CB ASN A 319 7.323 16.564 -19.696 1.00 91.19 C +ATOM 2566 O ASN A 319 8.772 15.474 -17.481 1.00 91.19 O +ATOM 2567 CG ASN A 319 6.130 15.643 -19.527 1.00 91.19 C +ATOM 2568 ND2 ASN A 319 5.502 15.610 -18.376 1.00 91.19 N +ATOM 2569 OD1 ASN A 319 5.770 14.938 -20.454 1.00 91.19 O +ATOM 2570 N ILE A 320 9.401 13.707 -18.719 1.00 95.69 N +ATOM 2571 CA ILE A 320 9.816 12.840 -17.607 1.00 95.69 C +ATOM 2572 C ILE A 320 11.241 12.336 -17.833 1.00 95.69 C +ATOM 2573 CB ILE A 320 8.832 11.671 -17.370 1.00 95.69 C +ATOM 2574 O ILE A 320 11.691 12.204 -18.981 1.00 95.69 O +ATOM 2575 CG1 ILE A 320 8.823 10.654 -18.537 1.00 95.69 C +ATOM 2576 CG2 ILE A 320 7.422 12.216 -17.072 1.00 95.69 C +ATOM 2577 CD1 ILE A 320 8.091 9.347 -18.212 1.00 95.69 C +ATOM 2578 N THR A 321 11.942 12.021 -16.747 1.00 97.06 N +ATOM 2579 CA THR A 321 13.308 11.491 -16.808 1.00 97.06 C +ATOM 2580 C THR A 321 13.369 10.112 -17.474 1.00 97.06 C +ATOM 2581 CB THR A 321 13.946 11.412 -15.416 1.00 97.06 C +ATOM 2582 O THR A 321 12.378 9.384 -17.580 1.00 97.06 O +ATOM 2583 CG2 THR A 321 14.067 12.768 -14.722 1.00 97.06 C +ATOM 2584 OG1 THR A 321 13.232 10.502 -14.624 1.00 97.06 O +ATOM 2585 N ASN A 322 14.566 9.714 -17.916 1.00 97.19 N +ATOM 2586 CA ASN A 322 14.785 8.372 -18.465 1.00 97.19 C +ATOM 2587 C ASN A 322 14.536 7.269 -17.430 1.00 97.19 C +ATOM 2588 CB ASN A 322 16.205 8.279 -19.046 1.00 97.19 C +ATOM 2589 O ASN A 322 14.050 6.204 -17.795 1.00 97.19 O +ATOM 2590 CG ASN A 322 16.356 9.071 -20.330 1.00 97.19 C +ATOM 2591 ND2 ASN A 322 17.555 9.499 -20.649 1.00 97.19 N +ATOM 2592 OD1 ASN A 322 15.401 9.324 -21.049 1.00 97.19 O +ATOM 2593 N SER A 323 14.805 7.527 -16.146 1.00 97.69 N +ATOM 2594 CA SER A 323 14.502 6.570 -15.082 1.00 97.69 C +ATOM 2595 C SER A 323 12.994 6.407 -14.876 1.00 97.69 C +ATOM 2596 CB SER A 323 15.195 6.979 -13.781 1.00 97.69 C +ATOM 2597 O SER A 323 12.537 5.282 -14.702 1.00 97.69 O +ATOM 2598 OG SER A 323 14.832 8.285 -13.395 1.00 97.69 O +ATOM 2599 N ALA A 324 12.209 7.488 -14.961 1.00 98.19 N +ATOM 2600 CA ALA A 324 10.748 7.419 -14.914 1.00 98.19 C +ATOM 2601 C ALA A 324 10.174 6.647 -16.111 1.00 98.19 C +ATOM 2602 CB ALA A 324 10.197 8.847 -14.874 1.00 98.19 C +ATOM 2603 O ALA A 324 9.310 5.790 -15.943 1.00 98.19 O +ATOM 2604 N ARG A 325 10.696 6.915 -17.316 1.00 98.06 N +ATOM 2605 CA ARG A 325 10.330 6.205 -18.550 1.00 98.06 C +ATOM 2606 C ARG A 325 10.591 4.706 -18.438 1.00 98.06 C +ATOM 2607 CB ARG A 325 11.071 6.858 -19.725 1.00 98.06 C +ATOM 2608 O ARG A 325 9.668 3.926 -18.639 1.00 98.06 O +ATOM 2609 CG ARG A 325 10.956 6.104 -21.063 1.00 98.06 C +ATOM 2610 CD ARG A 325 11.519 6.880 -22.263 1.00 98.06 C +ATOM 2611 NE ARG A 325 10.856 8.192 -22.461 1.00 98.06 N +ATOM 2612 NH1 ARG A 325 12.372 9.529 -21.336 1.00 98.06 N +ATOM 2613 NH2 ARG A 325 10.460 10.401 -22.011 1.00 98.06 N +ATOM 2614 CZ ARG A 325 11.235 9.355 -21.951 1.00 98.06 C +ATOM 2615 N HIS A 326 11.802 4.331 -18.033 1.00 97.81 N +ATOM 2616 CA HIS A 326 12.191 2.933 -17.863 1.00 97.81 C +ATOM 2617 C HIS A 326 11.333 2.218 -16.803 1.00 97.81 C +ATOM 2618 CB HIS A 326 13.682 2.902 -17.506 1.00 97.81 C +ATOM 2619 O HIS A 326 10.917 1.081 -17.012 1.00 97.81 O +ATOM 2620 CG HIS A 326 14.273 1.518 -17.516 1.00 97.81 C +ATOM 2621 CD2 HIS A 326 14.734 0.836 -18.609 1.00 97.81 C +ATOM 2622 ND1 HIS A 326 14.441 0.694 -16.430 1.00 97.81 N +ATOM 2623 CE1 HIS A 326 14.991 -0.454 -16.853 1.00 97.81 C +ATOM 2624 NE2 HIS A 326 15.208 -0.406 -18.174 1.00 97.81 N +ATOM 2625 N LEU A 327 10.990 2.902 -15.699 1.00 98.56 N +ATOM 2626 CA LEU A 327 10.092 2.344 -14.683 1.00 98.56 C +ATOM 2627 C LEU A 327 8.688 2.084 -15.247 1.00 98.56 C +ATOM 2628 CB LEU A 327 10.015 3.284 -13.462 1.00 98.56 C +ATOM 2629 O LEU A 327 8.137 1.005 -15.046 1.00 98.56 O +ATOM 2630 CG LEU A 327 9.127 2.734 -12.329 1.00 98.56 C +ATOM 2631 CD1 LEU A 327 9.615 1.395 -11.782 1.00 98.56 C +ATOM 2632 CD2 LEU A 327 9.097 3.704 -11.159 1.00 98.56 C +ATOM 2633 N LEU A 328 8.108 3.065 -15.947 1.00 98.62 N +ATOM 2634 CA LEU A 328 6.771 2.945 -16.534 1.00 98.62 C +ATOM 2635 C LEU A 328 6.708 1.842 -17.594 1.00 98.62 C +ATOM 2636 CB LEU A 328 6.346 4.291 -17.145 1.00 98.62 C +ATOM 2637 O LEU A 328 5.748 1.081 -17.603 1.00 98.62 O +ATOM 2638 CG LEU A 328 5.927 5.354 -16.116 1.00 98.62 C +ATOM 2639 CD1 LEU A 328 5.684 6.676 -16.845 1.00 98.62 C +ATOM 2640 CD2 LEU A 328 4.637 4.964 -15.392 1.00 98.62 C +ATOM 2641 N GLU A 329 7.721 1.728 -18.452 1.00 98.25 N +ATOM 2642 CA GLU A 329 7.821 0.653 -19.449 1.00 98.25 C +ATOM 2643 C GLU A 329 7.899 -0.733 -18.792 1.00 98.25 C +ATOM 2644 CB GLU A 329 9.052 0.900 -20.340 1.00 98.25 C +ATOM 2645 O GLU A 329 7.270 -1.675 -19.273 1.00 98.25 O +ATOM 2646 CG GLU A 329 8.823 2.069 -21.315 1.00 98.25 C +ATOM 2647 CD GLU A 329 10.094 2.569 -22.026 1.00 98.25 C +ATOM 2648 OE1 GLU A 329 9.940 3.453 -22.905 1.00 98.25 O +ATOM 2649 OE2 GLU A 329 11.214 2.142 -21.667 1.00 98.25 O +ATOM 2650 N GLY A 330 8.616 -0.850 -17.668 1.00 98.38 N +ATOM 2651 CA GLY A 330 8.706 -2.086 -16.893 1.00 98.38 C +ATOM 2652 C GLY A 330 7.402 -2.460 -16.179 1.00 98.38 C +ATOM 2653 O GLY A 330 6.967 -3.608 -16.262 1.00 98.38 O +ATOM 2654 N LEU A 331 6.758 -1.509 -15.493 1.00 98.62 N +ATOM 2655 CA LEU A 331 5.511 -1.739 -14.746 1.00 98.62 C +ATOM 2656 C LEU A 331 4.301 -1.954 -15.669 1.00 98.62 C +ATOM 2657 CB LEU A 331 5.235 -0.543 -13.817 1.00 98.62 C +ATOM 2658 O LEU A 331 3.452 -2.799 -15.394 1.00 98.62 O +ATOM 2659 CG LEU A 331 6.194 -0.382 -12.625 1.00 98.62 C +ATOM 2660 CD1 LEU A 331 5.876 0.929 -11.902 1.00 98.62 C +ATOM 2661 CD2 LEU A 331 6.056 -1.508 -11.603 1.00 98.62 C +ATOM 2662 N LEU A 332 4.225 -1.218 -16.781 1.00 98.56 N +ATOM 2663 CA LEU A 332 3.146 -1.313 -17.775 1.00 98.56 C +ATOM 2664 C LEU A 332 3.487 -2.283 -18.916 1.00 98.56 C +ATOM 2665 CB LEU A 332 2.746 0.088 -18.271 1.00 98.56 C +ATOM 2666 O LEU A 332 2.953 -2.180 -20.025 1.00 98.56 O +ATOM 2667 CG LEU A 332 2.210 1.017 -17.168 1.00 98.56 C +ATOM 2668 CD1 LEU A 332 2.034 2.431 -17.724 1.00 98.56 C +ATOM 2669 CD2 LEU A 332 0.855 0.526 -16.654 1.00 98.56 C +ATOM 2670 N GLN A 333 4.364 -3.251 -18.645 1.00 98.12 N +ATOM 2671 CA GLN A 333 4.597 -4.377 -19.535 1.00 98.12 C +ATOM 2672 C GLN A 333 3.353 -5.274 -19.566 1.00 98.12 C +ATOM 2673 CB GLN A 333 5.850 -5.129 -19.079 1.00 98.12 C +ATOM 2674 O GLN A 333 2.869 -5.751 -18.532 1.00 98.12 O +ATOM 2675 CG GLN A 333 6.187 -6.339 -19.957 1.00 98.12 C +ATOM 2676 CD GLN A 333 6.313 -5.985 -21.429 1.00 98.12 C +ATOM 2677 NE2 GLN A 333 7.463 -5.526 -21.869 1.00 98.12 N +ATOM 2678 OE1 GLN A 333 5.364 -6.087 -22.196 1.00 98.12 O +ATOM 2679 N LYS A 334 2.822 -5.505 -20.772 1.00 97.44 N +ATOM 2680 CA LYS A 334 1.569 -6.248 -20.962 1.00 97.44 C +ATOM 2681 C LYS A 334 1.726 -7.733 -20.651 1.00 97.44 C +ATOM 2682 CB LYS A 334 1.025 -6.057 -22.384 1.00 97.44 C +ATOM 2683 O LYS A 334 0.817 -8.336 -20.094 1.00 97.44 O +ATOM 2684 CG LYS A 334 0.717 -4.592 -22.729 1.00 97.44 C +ATOM 2685 CD LYS A 334 0.065 -4.524 -24.112 1.00 97.44 C +ATOM 2686 CE LYS A 334 -0.057 -3.080 -24.618 1.00 97.44 C +ATOM 2687 NZ LYS A 334 -1.441 -2.569 -24.569 1.00 97.44 N +ATOM 2688 N ASP A 335 2.884 -8.303 -20.975 1.00 96.44 N +ATOM 2689 CA ASP A 335 3.250 -9.658 -20.563 1.00 96.44 C +ATOM 2690 C ASP A 335 3.682 -9.652 -19.094 1.00 96.44 C +ATOM 2691 CB ASP A 335 4.356 -10.185 -21.488 1.00 96.44 C +ATOM 2692 O ASP A 335 4.781 -9.201 -18.763 1.00 96.44 O +ATOM 2693 CG ASP A 335 4.825 -11.613 -21.181 1.00 96.44 C +ATOM 2694 OD1 ASP A 335 4.428 -12.189 -20.137 1.00 96.44 O +ATOM 2695 OD2 ASP A 335 5.632 -12.102 -22.011 1.00 96.44 O +ATOM 2696 N ARG A 336 2.826 -10.175 -18.210 1.00 95.50 N +ATOM 2697 CA ARG A 336 3.091 -10.178 -16.768 1.00 95.50 C +ATOM 2698 C ARG A 336 4.404 -10.861 -16.379 1.00 95.50 C +ATOM 2699 CB ARG A 336 1.906 -10.779 -16.004 1.00 95.50 C +ATOM 2700 O ARG A 336 4.998 -10.480 -15.384 1.00 95.50 O +ATOM 2701 CG ARG A 336 1.840 -12.314 -16.065 1.00 95.50 C +ATOM 2702 CD ARG A 336 0.812 -12.796 -15.053 1.00 95.50 C +ATOM 2703 NE ARG A 336 0.850 -14.264 -14.910 1.00 95.50 N +ATOM 2704 NH1 ARG A 336 -1.339 -14.595 -15.342 1.00 95.50 N +ATOM 2705 NH2 ARG A 336 -0.104 -16.339 -14.748 1.00 95.50 N +ATOM 2706 CZ ARG A 336 -0.184 -15.066 -15.004 1.00 95.50 C +ATOM 2707 N THR A 337 4.886 -11.831 -17.164 1.00 95.31 N +ATOM 2708 CA THR A 337 6.123 -12.575 -16.854 1.00 95.31 C +ATOM 2709 C THR A 337 7.386 -11.748 -17.088 1.00 95.31 C +ATOM 2710 CB THR A 337 6.227 -13.873 -17.667 1.00 95.31 C +ATOM 2711 O THR A 337 8.444 -12.056 -16.548 1.00 95.31 O +ATOM 2712 CG2 THR A 337 5.001 -14.770 -17.503 1.00 95.31 C +ATOM 2713 OG1 THR A 337 6.407 -13.619 -19.044 1.00 95.31 O +ATOM 2714 N LYS A 338 7.268 -10.681 -17.887 1.00 97.25 N +ATOM 2715 CA LYS A 338 8.330 -9.711 -18.182 1.00 97.25 C +ATOM 2716 C LYS A 338 8.129 -8.390 -17.443 1.00 97.25 C +ATOM 2717 CB LYS A 338 8.377 -9.465 -19.694 1.00 97.25 C +ATOM 2718 O LYS A 338 8.901 -7.456 -17.653 1.00 97.25 O +ATOM 2719 CG LYS A 338 8.736 -10.721 -20.489 1.00 97.25 C +ATOM 2720 CD LYS A 338 8.681 -10.396 -21.982 1.00 97.25 C +ATOM 2721 CE LYS A 338 8.893 -11.683 -22.780 1.00 97.25 C +ATOM 2722 NZ LYS A 338 7.789 -11.878 -23.739 1.00 97.25 N +ATOM 2723 N ARG A 339 7.057 -8.277 -16.656 1.00 98.06 N +ATOM 2724 CA ARG A 339 6.729 -7.068 -15.909 1.00 98.06 C +ATOM 2725 C ARG A 339 7.705 -6.898 -14.758 1.00 98.06 C +ATOM 2726 CB ARG A 339 5.265 -7.135 -15.457 1.00 98.06 C +ATOM 2727 O ARG A 339 8.062 -7.865 -14.093 1.00 98.06 O +ATOM 2728 CG ARG A 339 4.746 -5.794 -14.919 1.00 98.06 C +ATOM 2729 CD ARG A 339 3.273 -5.886 -14.514 1.00 98.06 C +ATOM 2730 NE ARG A 339 2.407 -6.192 -15.672 1.00 98.06 N +ATOM 2731 NH1 ARG A 339 0.814 -7.382 -14.544 1.00 98.06 N +ATOM 2732 NH2 ARG A 339 0.679 -7.187 -16.758 1.00 98.06 N +ATOM 2733 CZ ARG A 339 1.305 -6.915 -15.650 1.00 98.06 C +ATOM 2734 N LEU A 340 8.113 -5.658 -14.522 1.00 97.94 N +ATOM 2735 CA LEU A 340 8.923 -5.320 -13.360 1.00 97.94 C +ATOM 2736 C LEU A 340 8.148 -5.702 -12.087 1.00 97.94 C +ATOM 2737 CB LEU A 340 9.257 -3.821 -13.420 1.00 97.94 C +ATOM 2738 O LEU A 340 6.989 -5.313 -11.934 1.00 97.94 O +ATOM 2739 CG LEU A 340 10.409 -3.428 -12.484 1.00 97.94 C +ATOM 2740 CD1 LEU A 340 11.768 -3.752 -13.097 1.00 97.94 C +ATOM 2741 CD2 LEU A 340 10.382 -1.924 -12.222 1.00 97.94 C +ATOM 2742 N GLY A 341 8.775 -6.481 -11.207 1.00 97.38 N +ATOM 2743 CA GLY A 341 8.151 -7.091 -10.033 1.00 97.38 C +ATOM 2744 C GLY A 341 7.711 -8.545 -10.246 1.00 97.38 C +ATOM 2745 O GLY A 341 7.171 -9.159 -9.332 1.00 97.38 O +ATOM 2746 N ALA A 342 7.932 -9.137 -11.424 1.00 96.56 N +ATOM 2747 CA ALA A 342 7.637 -10.552 -11.656 1.00 96.56 C +ATOM 2748 C ALA A 342 8.714 -11.491 -11.091 1.00 96.56 C +ATOM 2749 CB ALA A 342 7.439 -10.775 -13.157 1.00 96.56 C +ATOM 2750 O ALA A 342 8.399 -12.622 -10.725 1.00 96.56 O +ATOM 2751 N LYS A 343 9.981 -11.052 -11.025 1.00 94.44 N +ATOM 2752 CA LYS A 343 11.101 -11.926 -10.640 1.00 94.44 C +ATOM 2753 C LYS A 343 11.319 -11.978 -9.131 1.00 94.44 C +ATOM 2754 CB LYS A 343 12.365 -11.481 -11.385 1.00 94.44 C +ATOM 2755 O LYS A 343 11.409 -13.062 -8.568 1.00 94.44 O +ATOM 2756 CG LYS A 343 13.550 -12.408 -11.081 1.00 94.44 C +ATOM 2757 CD LYS A 343 14.814 -11.900 -11.772 1.00 94.44 C +ATOM 2758 CE LYS A 343 15.992 -12.784 -11.364 1.00 94.44 C +ATOM 2759 NZ LYS A 343 17.264 -12.243 -11.894 1.00 94.44 N +ATOM 2760 N ASP A 344 11.453 -10.809 -8.512 1.00 95.19 N +ATOM 2761 CA ASP A 344 11.751 -10.660 -7.077 1.00 95.19 C +ATOM 2762 C ASP A 344 10.800 -9.651 -6.414 1.00 95.19 C +ATOM 2763 CB ASP A 344 13.241 -10.332 -6.884 1.00 95.19 C +ATOM 2764 O ASP A 344 11.142 -8.944 -5.466 1.00 95.19 O +ATOM 2765 CG ASP A 344 13.765 -10.626 -5.470 1.00 95.19 C +ATOM 2766 OD1 ASP A 344 13.101 -11.377 -4.722 1.00 95.19 O +ATOM 2767 OD2 ASP A 344 14.880 -10.136 -5.179 1.00 95.19 O +ATOM 2768 N ASP A 345 9.587 -9.556 -6.966 1.00 96.94 N +ATOM 2769 CA ASP A 345 8.481 -8.784 -6.409 1.00 96.94 C +ATOM 2770 C ASP A 345 8.890 -7.346 -6.046 1.00 96.94 C +ATOM 2771 CB ASP A 345 7.858 -9.628 -5.283 1.00 96.94 C +ATOM 2772 O ASP A 345 9.459 -6.619 -6.867 1.00 96.94 O +ATOM 2773 CG ASP A 345 6.446 -9.202 -4.907 1.00 96.94 C +ATOM 2774 OD1 ASP A 345 5.735 -8.599 -5.736 1.00 96.94 O +ATOM 2775 OD2 ASP A 345 6.021 -9.565 -3.795 1.00 96.94 O +ATOM 2776 N PHE A 346 8.648 -6.927 -4.805 1.00 97.50 N +ATOM 2777 CA PHE A 346 8.988 -5.590 -4.342 1.00 97.50 C +ATOM 2778 C PHE A 346 10.487 -5.273 -4.423 1.00 97.50 C +ATOM 2779 CB PHE A 346 8.472 -5.433 -2.910 1.00 97.50 C +ATOM 2780 O PHE A 346 10.835 -4.116 -4.640 1.00 97.50 O +ATOM 2781 CG PHE A 346 8.841 -4.115 -2.255 1.00 97.50 C +ATOM 2782 CD1 PHE A 346 9.527 -4.107 -1.025 1.00 97.50 C +ATOM 2783 CD2 PHE A 346 8.520 -2.896 -2.882 1.00 97.50 C +ATOM 2784 CE1 PHE A 346 9.881 -2.888 -0.423 1.00 97.50 C +ATOM 2785 CE2 PHE A 346 8.898 -1.678 -2.290 1.00 97.50 C +ATOM 2786 CZ PHE A 346 9.571 -1.675 -1.058 1.00 97.50 C +ATOM 2787 N MET A 347 11.390 -6.251 -4.298 1.00 97.62 N +ATOM 2788 CA MET A 347 12.835 -5.988 -4.337 1.00 97.62 C +ATOM 2789 C MET A 347 13.293 -5.500 -5.715 1.00 97.62 C +ATOM 2790 CB MET A 347 13.613 -7.245 -3.924 1.00 97.62 C +ATOM 2791 O MET A 347 14.150 -4.615 -5.817 1.00 97.62 O +ATOM 2792 CG MET A 347 13.373 -7.623 -2.458 1.00 97.62 C +ATOM 2793 SD MET A 347 13.777 -6.329 -1.237 1.00 97.62 S +ATOM 2794 CE MET A 347 15.560 -6.182 -1.529 1.00 97.62 C +ATOM 2795 N GLU A 348 12.663 -5.999 -6.779 1.00 97.50 N +ATOM 2796 CA GLU A 348 12.895 -5.522 -8.142 1.00 97.50 C +ATOM 2797 C GLU A 348 12.460 -4.054 -8.294 1.00 97.50 C +ATOM 2798 CB GLU A 348 12.167 -6.456 -9.118 1.00 97.50 C +ATOM 2799 O GLU A 348 13.204 -3.236 -8.837 1.00 97.50 O +ATOM 2800 CG GLU A 348 12.646 -6.247 -10.558 1.00 97.50 C +ATOM 2801 CD GLU A 348 12.026 -7.234 -11.560 1.00 97.50 C +ATOM 2802 OE1 GLU A 348 12.457 -7.201 -12.731 1.00 97.50 O +ATOM 2803 OE2 GLU A 348 11.118 -8.015 -11.183 1.00 97.50 O +ATOM 2804 N ILE A 349 11.310 -3.684 -7.717 1.00 98.12 N +ATOM 2805 CA ILE A 349 10.826 -2.295 -7.698 1.00 98.12 C +ATOM 2806 C ILE A 349 11.752 -1.406 -6.858 1.00 98.12 C +ATOM 2807 CB ILE A 349 9.372 -2.215 -7.171 1.00 98.12 C +ATOM 2808 O ILE A 349 12.181 -0.345 -7.311 1.00 98.12 O +ATOM 2809 CG1 ILE A 349 8.398 -3.212 -7.834 1.00 98.12 C +ATOM 2810 CG2 ILE A 349 8.826 -0.783 -7.327 1.00 98.12 C +ATOM 2811 CD1 ILE A 349 8.436 -3.242 -9.361 1.00 98.12 C +ATOM 2812 N LYS A 350 12.103 -1.860 -5.650 1.00 97.69 N +ATOM 2813 CA LYS A 350 12.932 -1.156 -4.663 1.00 97.69 C +ATOM 2814 C LYS A 350 14.309 -0.786 -5.217 1.00 97.69 C +ATOM 2815 CB LYS A 350 13.053 -2.053 -3.414 1.00 97.69 C +ATOM 2816 O LYS A 350 14.817 0.299 -4.939 1.00 97.69 O +ATOM 2817 CG LYS A 350 13.667 -1.323 -2.215 1.00 97.69 C +ATOM 2818 CD LYS A 350 13.897 -2.223 -0.996 1.00 97.69 C +ATOM 2819 CE LYS A 350 14.475 -1.360 0.136 1.00 97.69 C +ATOM 2820 NZ LYS A 350 14.642 -2.102 1.414 1.00 97.69 N +ATOM 2821 N SER A 351 14.903 -1.689 -6.000 1.00 97.56 N +ATOM 2822 CA SER A 351 16.235 -1.535 -6.603 1.00 97.56 C +ATOM 2823 C SER A 351 16.258 -0.683 -7.879 1.00 97.56 C +ATOM 2824 CB SER A 351 16.846 -2.914 -6.871 1.00 97.56 C +ATOM 2825 O SER A 351 17.331 -0.340 -8.379 1.00 97.56 O +ATOM 2826 OG SER A 351 16.126 -3.609 -7.867 1.00 97.56 O +ATOM 2827 N HIS A 352 15.094 -0.311 -8.416 1.00 98.44 N +ATOM 2828 CA HIS A 352 15.009 0.413 -9.675 1.00 98.44 C +ATOM 2829 C HIS A 352 15.595 1.835 -9.571 1.00 98.44 C +ATOM 2830 CB HIS A 352 13.553 0.413 -10.152 1.00 98.44 C +ATOM 2831 O HIS A 352 15.302 2.590 -8.643 1.00 98.44 O +ATOM 2832 CG HIS A 352 13.430 0.920 -11.556 1.00 98.44 C +ATOM 2833 CD2 HIS A 352 13.497 0.170 -12.696 1.00 98.44 C +ATOM 2834 ND1 HIS A 352 13.293 2.235 -11.929 1.00 98.44 N +ATOM 2835 CE1 HIS A 352 13.316 2.285 -13.268 1.00 98.44 C +ATOM 2836 NE2 HIS A 352 13.434 1.055 -13.775 1.00 98.44 N +ATOM 2837 N VAL A 353 16.355 2.261 -10.590 1.00 98.00 N +ATOM 2838 CA VAL A 353 17.085 3.550 -10.626 1.00 98.00 C +ATOM 2839 C VAL A 353 16.200 4.784 -10.390 1.00 98.00 C +ATOM 2840 CB VAL A 353 17.863 3.667 -11.955 1.00 98.00 C +ATOM 2841 O VAL A 353 16.661 5.800 -9.875 1.00 98.00 O +ATOM 2842 CG1 VAL A 353 16.949 3.694 -13.189 1.00 98.00 C +ATOM 2843 CG2 VAL A 353 18.789 4.889 -11.994 1.00 98.00 C +ATOM 2844 N PHE A 354 14.908 4.705 -10.711 1.00 98.44 N +ATOM 2845 CA PHE A 354 13.938 5.771 -10.424 1.00 98.44 C +ATOM 2846 C PHE A 354 13.826 6.099 -8.928 1.00 98.44 C +ATOM 2847 CB PHE A 354 12.571 5.365 -10.973 1.00 98.44 C +ATOM 2848 O PHE A 354 13.629 7.262 -8.581 1.00 98.44 O +ATOM 2849 CG PHE A 354 11.491 6.404 -10.753 1.00 98.44 C +ATOM 2850 CD1 PHE A 354 10.503 6.197 -9.773 1.00 98.44 C +ATOM 2851 CD2 PHE A 354 11.472 7.585 -11.517 1.00 98.44 C +ATOM 2852 CE1 PHE A 354 9.446 7.107 -9.629 1.00 98.44 C +ATOM 2853 CE2 PHE A 354 10.443 8.524 -11.330 1.00 98.44 C +ATOM 2854 CZ PHE A 354 9.415 8.276 -10.406 1.00 98.44 C +ATOM 2855 N PHE A 355 14.005 5.104 -8.058 1.00 98.38 N +ATOM 2856 CA PHE A 355 13.956 5.244 -6.603 1.00 98.38 C +ATOM 2857 C PHE A 355 15.340 5.413 -5.964 1.00 98.38 C +ATOM 2858 CB PHE A 355 13.195 4.060 -5.998 1.00 98.38 C +ATOM 2859 O PHE A 355 15.443 5.423 -4.745 1.00 98.38 O +ATOM 2860 CG PHE A 355 11.772 3.920 -6.499 1.00 98.38 C +ATOM 2861 CD1 PHE A 355 10.800 4.872 -6.142 1.00 98.38 C +ATOM 2862 CD2 PHE A 355 11.413 2.829 -7.308 1.00 98.38 C +ATOM 2863 CE1 PHE A 355 9.472 4.723 -6.578 1.00 98.38 C +ATOM 2864 CE2 PHE A 355 10.086 2.676 -7.742 1.00 98.38 C +ATOM 2865 CZ PHE A 355 9.111 3.619 -7.370 1.00 98.38 C +ATOM 2866 N SER A 356 16.403 5.610 -6.753 1.00 96.94 N +ATOM 2867 CA SER A 356 17.778 5.772 -6.239 1.00 96.94 C +ATOM 2868 C SER A 356 17.958 6.938 -5.255 1.00 96.94 C +ATOM 2869 CB SER A 356 18.758 5.951 -7.402 1.00 96.94 C +ATOM 2870 O SER A 356 18.885 6.926 -4.453 1.00 96.94 O +ATOM 2871 OG SER A 356 18.356 7.032 -8.226 1.00 96.94 O +ATOM 2872 N LEU A 357 17.064 7.933 -5.293 1.00 95.69 N +ATOM 2873 CA LEU A 357 17.040 9.077 -4.374 1.00 95.69 C +ATOM 2874 C LEU A 357 16.226 8.829 -3.090 1.00 95.69 C +ATOM 2875 CB LEU A 357 16.512 10.313 -5.127 1.00 95.69 C +ATOM 2876 O LEU A 357 16.086 9.743 -2.282 1.00 95.69 O +ATOM 2877 CG LEU A 357 17.356 10.753 -6.337 1.00 95.69 C +ATOM 2878 CD1 LEU A 357 16.679 11.951 -7.008 1.00 95.69 C +ATOM 2879 CD2 LEU A 357 18.777 11.157 -5.944 1.00 95.69 C +ATOM 2880 N ILE A 358 15.644 7.641 -2.914 1.00 97.56 N +ATOM 2881 CA ILE A 358 14.809 7.295 -1.761 1.00 97.56 C +ATOM 2882 C ILE A 358 15.598 6.388 -0.817 1.00 97.56 C +ATOM 2883 CB ILE A 358 13.483 6.642 -2.216 1.00 97.56 C +ATOM 2884 O ILE A 358 15.949 5.262 -1.170 1.00 97.56 O +ATOM 2885 CG1 ILE A 358 12.662 7.533 -3.181 1.00 97.56 C +ATOM 2886 CG2 ILE A 358 12.621 6.242 -1.004 1.00 97.56 C +ATOM 2887 CD1 ILE A 358 12.209 8.887 -2.612 1.00 97.56 C +ATOM 2888 N ASN A 359 15.826 6.852 0.413 1.00 97.69 N +ATOM 2889 CA ASN A 359 16.219 5.964 1.500 1.00 97.69 C +ATOM 2890 C ASN A 359 14.966 5.256 2.032 1.00 97.69 C +ATOM 2891 CB ASN A 359 16.986 6.738 2.586 1.00 97.69 C +ATOM 2892 O ASN A 359 14.116 5.873 2.671 1.00 97.69 O +ATOM 2893 CG ASN A 359 17.461 5.818 3.702 1.00 97.69 C +ATOM 2894 ND2 ASN A 359 18.365 6.258 4.531 1.00 97.69 N +ATOM 2895 OD1 ASN A 359 17.027 4.688 3.848 1.00 97.69 O +ATOM 2896 N TRP A 360 14.850 3.959 1.761 1.00 97.69 N +ATOM 2897 CA TRP A 360 13.685 3.159 2.136 1.00 97.69 C +ATOM 2898 C TRP A 360 13.494 3.019 3.651 1.00 97.69 C +ATOM 2899 CB TRP A 360 13.809 1.792 1.467 1.00 97.69 C +ATOM 2900 O TRP A 360 12.351 2.946 4.100 1.00 97.69 O +ATOM 2901 CG TRP A 360 13.695 1.845 -0.025 1.00 97.69 C +ATOM 2902 CD1 TRP A 360 14.714 1.931 -0.913 1.00 97.69 C +ATOM 2903 CD2 TRP A 360 12.472 1.858 -0.821 1.00 97.69 C +ATOM 2904 CE2 TRP A 360 12.829 1.956 -2.199 1.00 97.69 C +ATOM 2905 CE3 TRP A 360 11.096 1.787 -0.515 1.00 97.69 C +ATOM 2906 NE1 TRP A 360 14.206 1.979 -2.198 1.00 97.69 N +ATOM 2907 CH2 TRP A 360 10.513 1.868 -2.888 1.00 97.69 C +ATOM 2908 CZ2 TRP A 360 11.873 1.961 -3.223 1.00 97.69 C +ATOM 2909 CZ3 TRP A 360 10.129 1.789 -1.538 1.00 97.69 C +ATOM 2910 N ASP A 361 14.576 3.038 4.433 1.00 97.12 N +ATOM 2911 CA ASP A 361 14.491 2.980 5.895 1.00 97.12 C +ATOM 2912 C ASP A 361 13.985 4.311 6.463 1.00 97.12 C +ATOM 2913 CB ASP A 361 15.853 2.619 6.507 1.00 97.12 C +ATOM 2914 O ASP A 361 13.189 4.340 7.400 1.00 97.12 O +ATOM 2915 CG ASP A 361 16.336 1.210 6.145 1.00 97.12 C +ATOM 2916 OD1 ASP A 361 15.487 0.342 5.833 1.00 97.12 O +ATOM 2917 OD2 ASP A 361 17.569 1.009 6.175 1.00 97.12 O +ATOM 2918 N ASP A 362 14.382 5.436 5.872 1.00 97.88 N +ATOM 2919 CA ASP A 362 13.835 6.740 6.256 1.00 97.88 C +ATOM 2920 C ASP A 362 12.386 6.906 5.782 1.00 97.88 C +ATOM 2921 CB ASP A 362 14.729 7.870 5.733 1.00 97.88 C +ATOM 2922 O ASP A 362 11.576 7.502 6.494 1.00 97.88 O +ATOM 2923 CG ASP A 362 16.095 7.935 6.426 1.00 97.88 C +ATOM 2924 OD1 ASP A 362 16.189 7.541 7.616 1.00 97.88 O +ATOM 2925 OD2 ASP A 362 17.043 8.405 5.756 1.00 97.88 O +ATOM 2926 N LEU A 363 12.039 6.342 4.618 1.00 97.56 N +ATOM 2927 CA LEU A 363 10.678 6.337 4.085 1.00 97.56 C +ATOM 2928 C LEU A 363 9.726 5.605 5.038 1.00 97.56 C +ATOM 2929 CB LEU A 363 10.673 5.697 2.684 1.00 97.56 C +ATOM 2930 O LEU A 363 8.764 6.204 5.509 1.00 97.56 O +ATOM 2931 CG LEU A 363 9.334 5.859 1.942 1.00 97.56 C +ATOM 2932 CD1 LEU A 363 9.199 7.263 1.348 1.00 97.56 C +ATOM 2933 CD2 LEU A 363 9.248 4.835 0.812 1.00 97.56 C +ATOM 2934 N ILE A 364 10.017 4.343 5.378 1.00 95.75 N +ATOM 2935 CA ILE A 364 9.146 3.533 6.246 1.00 95.75 C +ATOM 2936 C ILE A 364 9.012 4.141 7.650 1.00 95.75 C +ATOM 2937 CB ILE A 364 9.635 2.064 6.284 1.00 95.75 C +ATOM 2938 O ILE A 364 7.952 4.079 8.261 1.00 95.75 O +ATOM 2939 CG1 ILE A 364 8.586 1.093 6.855 1.00 95.75 C +ATOM 2940 CG2 ILE A 364 10.928 1.889 7.090 1.00 95.75 C +ATOM 2941 CD1 ILE A 364 7.429 0.844 5.889 1.00 95.75 C +ATOM 2942 N ASN A 365 10.054 4.806 8.151 1.00 96.31 N +ATOM 2943 CA ASN A 365 10.009 5.485 9.445 1.00 96.31 C +ATOM 2944 C ASN A 365 9.415 6.908 9.373 1.00 96.31 C +ATOM 2945 CB ASN A 365 11.407 5.430 10.080 1.00 96.31 C +ATOM 2946 O ASN A 365 9.538 7.653 10.344 1.00 96.31 O +ATOM 2947 CG ASN A 365 11.780 4.024 10.515 1.00 96.31 C +ATOM 2948 ND2 ASN A 365 12.816 3.445 9.963 1.00 96.31 N +ATOM 2949 OD1 ASN A 365 11.169 3.436 11.384 1.00 96.31 O +ATOM 2950 N LYS A 366 8.807 7.307 8.241 1.00 96.56 N +ATOM 2951 CA LYS A 366 8.243 8.651 7.989 1.00 96.56 C +ATOM 2952 C LYS A 366 9.218 9.801 8.314 1.00 96.56 C +ATOM 2953 CB LYS A 366 6.866 8.815 8.671 1.00 96.56 C +ATOM 2954 O LYS A 366 8.815 10.868 8.768 1.00 96.56 O +ATOM 2955 CG LYS A 366 5.769 7.903 8.096 1.00 96.56 C +ATOM 2956 CD LYS A 366 4.383 8.302 8.642 1.00 96.56 C +ATOM 2957 CE LYS A 366 3.273 7.500 7.948 1.00 96.56 C +ATOM 2958 NZ LYS A 366 1.900 7.956 8.288 1.00 96.56 N +ATOM 2959 N LYS A 367 10.520 9.596 8.080 1.00 97.19 N +ATOM 2960 CA LYS A 367 11.573 10.613 8.286 1.00 97.19 C +ATOM 2961 C LYS A 367 11.769 11.524 7.075 1.00 97.19 C +ATOM 2962 CB LYS A 367 12.900 9.935 8.637 1.00 97.19 C +ATOM 2963 O LYS A 367 12.364 12.591 7.200 1.00 97.19 O +ATOM 2964 CG LYS A 367 12.881 9.206 9.985 1.00 97.19 C +ATOM 2965 CD LYS A 367 14.234 8.518 10.159 1.00 97.19 C +ATOM 2966 CE LYS A 367 14.319 7.706 11.446 1.00 97.19 C +ATOM 2967 NZ LYS A 367 15.576 6.922 11.430 1.00 97.19 N +ATOM 2968 N ILE A 368 11.296 11.106 5.902 1.00 96.75 N +ATOM 2969 CA ILE A 368 11.332 11.921 4.686 1.00 96.75 C +ATOM 2970 C ILE A 368 10.133 12.871 4.700 1.00 96.75 C +ATOM 2971 CB ILE A 368 11.353 11.038 3.418 1.00 96.75 C +ATOM 2972 O ILE A 368 8.992 12.417 4.683 1.00 96.75 O +ATOM 2973 CG1 ILE A 368 12.542 10.050 3.448 1.00 96.75 C +ATOM 2974 CG2 ILE A 368 11.418 11.932 2.162 1.00 96.75 C +ATOM 2975 CD1 ILE A 368 12.619 9.114 2.237 1.00 96.75 C +ATOM 2976 N THR A 369 10.389 14.181 4.689 1.00 96.69 N +ATOM 2977 CA THR A 369 9.337 15.203 4.624 1.00 96.69 C +ATOM 2978 C THR A 369 8.513 15.059 3.340 1.00 96.69 C +ATOM 2979 CB THR A 369 9.932 16.617 4.669 1.00 96.69 C +ATOM 2980 O THR A 369 9.092 15.133 2.248 1.00 96.69 O +ATOM 2981 CG2 THR A 369 8.866 17.707 4.788 1.00 96.69 C +ATOM 2982 OG1 THR A 369 10.768 16.745 5.794 1.00 96.69 O +ATOM 2983 N PRO A 370 7.177 14.919 3.430 1.00 97.19 N +ATOM 2984 CA PRO A 370 6.329 14.870 2.252 1.00 97.19 C +ATOM 2985 C PRO A 370 6.465 16.129 1.379 1.00 97.19 C +ATOM 2986 CB PRO A 370 4.898 14.680 2.761 1.00 97.19 C +ATOM 2987 O PRO A 370 6.503 17.249 1.892 1.00 97.19 O +ATOM 2988 CG PRO A 370 5.125 13.924 4.064 1.00 97.19 C +ATOM 2989 CD PRO A 370 6.392 14.579 4.610 1.00 97.19 C +ATOM 2990 N PRO A 371 6.481 15.985 0.043 1.00 96.00 N +ATOM 2991 CA PRO A 371 6.607 17.106 -0.893 1.00 96.00 C +ATOM 2992 C PRO A 371 5.350 17.989 -0.964 1.00 96.00 C +ATOM 2993 CB PRO A 371 6.914 16.447 -2.241 1.00 96.00 C +ATOM 2994 O PRO A 371 5.364 19.037 -1.606 1.00 96.00 O +ATOM 2995 CG PRO A 371 6.250 15.075 -2.122 1.00 96.00 C +ATOM 2996 CD PRO A 371 6.415 14.718 -0.659 1.00 96.00 C +ATOM 2997 N PHE A 372 4.253 17.560 -0.343 1.00 95.88 N +ATOM 2998 CA PHE A 372 2.997 18.289 -0.261 1.00 95.88 C +ATOM 2999 C PHE A 372 2.389 18.081 1.121 1.00 95.88 C +ATOM 3000 CB PHE A 372 2.050 17.780 -1.350 1.00 95.88 C +ATOM 3001 O PHE A 372 2.260 16.944 1.563 1.00 95.88 O +ATOM 3002 CG PHE A 372 0.613 18.237 -1.192 1.00 95.88 C +ATOM 3003 CD1 PHE A 372 -0.319 17.430 -0.508 1.00 95.88 C +ATOM 3004 CD2 PHE A 372 0.202 19.461 -1.748 1.00 95.88 C +ATOM 3005 CE1 PHE A 372 -1.659 17.837 -0.401 1.00 95.88 C +ATOM 3006 CE2 PHE A 372 -1.136 19.873 -1.629 1.00 95.88 C +ATOM 3007 CZ PHE A 372 -2.066 19.060 -0.960 1.00 95.88 C +ATOM 3008 N ASN A 373 1.963 19.172 1.754 1.00 94.38 N +ATOM 3009 CA ASN A 373 1.201 19.145 2.994 1.00 94.38 C +ATOM 3010 C ASN A 373 -0.256 19.552 2.688 1.00 94.38 C +ATOM 3011 CB ASN A 373 1.894 20.061 4.017 1.00 94.38 C +ATOM 3012 O ASN A 373 -0.471 20.627 2.115 1.00 94.38 O +ATOM 3013 CG ASN A 373 1.256 19.992 5.395 1.00 94.38 C +ATOM 3014 ND2 ASN A 373 2.036 19.990 6.447 1.00 94.38 N +ATOM 3015 OD1 ASN A 373 0.047 19.947 5.548 1.00 94.38 O +ATOM 3016 N PRO A 374 -1.265 18.748 3.069 1.00 93.06 N +ATOM 3017 CA PRO A 374 -2.672 19.071 2.825 1.00 93.06 C +ATOM 3018 C PRO A 374 -3.182 20.290 3.615 1.00 93.06 C +ATOM 3019 CB PRO A 374 -3.441 17.789 3.158 1.00 93.06 C +ATOM 3020 O PRO A 374 -4.292 20.754 3.359 1.00 93.06 O +ATOM 3021 CG PRO A 374 -2.540 17.052 4.142 1.00 93.06 C +ATOM 3022 CD PRO A 374 -1.133 17.450 3.720 1.00 93.06 C +ATOM 3023 N ASN A 375 -2.395 20.848 4.539 1.00 92.56 N +ATOM 3024 CA ASN A 375 -2.717 22.023 5.351 1.00 92.56 C +ATOM 3025 C ASN A 375 -4.033 21.853 6.120 1.00 92.56 C +ATOM 3026 CB ASN A 375 -2.673 23.300 4.491 1.00 92.56 C +ATOM 3027 O ASN A 375 -4.935 22.692 6.025 1.00 92.56 O +ATOM 3028 CG ASN A 375 -1.312 23.543 3.876 1.00 92.56 C +ATOM 3029 ND2 ASN A 375 -1.227 23.636 2.572 1.00 92.56 N +ATOM 3030 OD1 ASN A 375 -0.311 23.665 4.556 1.00 92.56 O +ATOM 3031 N VAL A 376 -4.166 20.740 6.840 1.00 92.00 N +ATOM 3032 CA VAL A 376 -5.333 20.469 7.688 1.00 92.00 C +ATOM 3033 C VAL A 376 -5.330 21.376 8.928 1.00 92.00 C +ATOM 3034 CB VAL A 376 -5.443 18.976 8.058 1.00 92.00 C +ATOM 3035 O VAL A 376 -4.281 21.646 9.504 1.00 92.00 O +ATOM 3036 CG1 VAL A 376 -5.634 18.118 6.800 1.00 92.00 C +ATOM 3037 CG2 VAL A 376 -4.224 18.449 8.824 1.00 92.00 C +ATOM 3038 N SER A 377 -6.496 21.867 9.357 1.00 90.94 N +ATOM 3039 CA SER A 377 -6.650 22.738 10.538 1.00 90.94 C +ATOM 3040 C SER A 377 -6.764 21.993 11.863 1.00 90.94 C +ATOM 3041 CB SER A 377 -7.856 23.676 10.406 1.00 90.94 C +ATOM 3042 O SER A 377 -6.737 22.628 12.913 1.00 90.94 O +ATOM 3043 OG SER A 377 -9.024 23.024 9.931 1.00 90.94 O +ATOM 3044 N GLY A 378 -6.950 20.674 11.841 1.00 90.44 N +ATOM 3045 CA GLY A 378 -7.135 19.893 13.057 1.00 90.44 C +ATOM 3046 C GLY A 378 -7.536 18.438 12.804 1.00 90.44 C +ATOM 3047 O GLY A 378 -7.738 18.031 11.655 1.00 90.44 O +ATOM 3048 N PRO A 379 -7.680 17.645 13.878 1.00 88.94 N +ATOM 3049 CA PRO A 379 -7.930 16.204 13.797 1.00 88.94 C +ATOM 3050 C PRO A 379 -9.320 15.837 13.260 1.00 88.94 C +ATOM 3051 CB PRO A 379 -7.730 15.691 15.227 1.00 88.94 C +ATOM 3052 O PRO A 379 -9.536 14.694 12.889 1.00 88.94 O +ATOM 3053 CG PRO A 379 -8.083 16.897 16.095 1.00 88.94 C +ATOM 3054 CD PRO A 379 -7.555 18.066 15.268 1.00 88.94 C +ATOM 3055 N ASN A 380 -10.255 16.785 13.190 1.00 88.12 N +ATOM 3056 CA ASN A 380 -11.606 16.606 12.652 1.00 88.12 C +ATOM 3057 C ASN A 380 -11.846 17.394 11.354 1.00 88.12 C +ATOM 3058 CB ASN A 380 -12.616 16.992 13.743 1.00 88.12 C +ATOM 3059 O ASN A 380 -12.996 17.603 10.974 1.00 88.12 O +ATOM 3060 CG ASN A 380 -12.615 18.478 14.068 1.00 88.12 C +ATOM 3061 ND2 ASN A 380 -13.669 18.971 14.673 1.00 88.12 N +ATOM 3062 OD1 ASN A 380 -11.667 19.210 13.828 1.00 88.12 O +ATOM 3063 N ASP A 381 -10.784 17.890 10.713 1.00 91.06 N +ATOM 3064 CA ASP A 381 -10.896 18.707 9.505 1.00 91.06 C +ATOM 3065 C ASP A 381 -11.538 17.922 8.356 1.00 91.06 C +ATOM 3066 CB ASP A 381 -9.514 19.232 9.113 1.00 91.06 C +ATOM 3067 O ASP A 381 -11.164 16.779 8.101 1.00 91.06 O +ATOM 3068 CG ASP A 381 -9.553 20.287 8.009 1.00 91.06 C +ATOM 3069 OD1 ASP A 381 -10.610 20.577 7.409 1.00 91.06 O +ATOM 3070 OD2 ASP A 381 -8.496 20.898 7.782 1.00 91.06 O +ATOM 3071 N LEU A 382 -12.491 18.556 7.670 1.00 91.38 N +ATOM 3072 CA LEU A 382 -13.290 17.993 6.584 1.00 91.38 C +ATOM 3073 C LEU A 382 -13.077 18.703 5.234 1.00 91.38 C +ATOM 3074 CB LEU A 382 -14.774 18.002 6.999 1.00 91.38 C +ATOM 3075 O LEU A 382 -13.759 18.378 4.267 1.00 91.38 O +ATOM 3076 CG LEU A 382 -15.123 17.011 8.121 1.00 91.38 C +ATOM 3077 CD1 LEU A 382 -16.553 17.260 8.596 1.00 91.38 C +ATOM 3078 CD2 LEU A 382 -15.047 15.560 7.650 1.00 91.38 C +ATOM 3079 N ARG A 383 -12.151 19.669 5.128 1.00 91.62 N +ATOM 3080 CA ARG A 383 -11.999 20.529 3.932 1.00 91.62 C +ATOM 3081 C ARG A 383 -11.685 19.786 2.628 1.00 91.62 C +ATOM 3082 CB ARG A 383 -10.928 21.598 4.204 1.00 91.62 C +ATOM 3083 O ARG A 383 -11.899 20.337 1.550 1.00 91.62 O +ATOM 3084 CG ARG A 383 -9.500 21.017 4.216 1.00 91.62 C +ATOM 3085 CD ARG A 383 -8.424 22.072 4.465 1.00 91.62 C +ATOM 3086 NE ARG A 383 -8.605 22.684 5.778 1.00 91.62 N +ATOM 3087 NH1 ARG A 383 -7.096 24.389 5.591 1.00 91.62 N +ATOM 3088 NH2 ARG A 383 -8.413 24.257 7.379 1.00 91.62 N +ATOM 3089 CZ ARG A 383 -8.042 23.774 6.236 1.00 91.62 C +ATOM 3090 N HIS A 384 -11.134 18.578 2.735 1.00 88.25 N +ATOM 3091 CA HIS A 384 -10.731 17.740 1.601 1.00 88.25 C +ATOM 3092 C HIS A 384 -11.743 16.631 1.286 1.00 88.25 C +ATOM 3093 CB HIS A 384 -9.319 17.188 1.836 1.00 88.25 C +ATOM 3094 O HIS A 384 -11.467 15.780 0.446 1.00 88.25 O +ATOM 3095 CG HIS A 384 -8.284 18.253 2.082 1.00 88.25 C +ATOM 3096 CD2 HIS A 384 -7.477 18.327 3.178 1.00 88.25 C +ATOM 3097 ND1 HIS A 384 -7.981 19.313 1.217 1.00 88.25 N +ATOM 3098 CE1 HIS A 384 -6.981 19.980 1.808 1.00 88.25 C +ATOM 3099 NE2 HIS A 384 -6.669 19.421 2.985 1.00 88.25 N +ATOM 3100 N PHE A 385 -12.908 16.639 1.941 1.00 87.88 N +ATOM 3101 CA PHE A 385 -14.011 15.719 1.669 1.00 87.88 C +ATOM 3102 C PHE A 385 -15.077 16.395 0.804 1.00 87.88 C +ATOM 3103 CB PHE A 385 -14.599 15.190 2.982 1.00 87.88 C +ATOM 3104 O PHE A 385 -15.284 17.607 0.876 1.00 87.88 O +ATOM 3105 CG PHE A 385 -13.644 14.309 3.761 1.00 87.88 C +ATOM 3106 CD1 PHE A 385 -13.679 12.911 3.607 1.00 87.88 C +ATOM 3107 CD2 PHE A 385 -12.684 14.888 4.607 1.00 87.88 C +ATOM 3108 CE1 PHE A 385 -12.778 12.101 4.322 1.00 87.88 C +ATOM 3109 CE2 PHE A 385 -11.790 14.083 5.329 1.00 87.88 C +ATOM 3110 CZ PHE A 385 -11.839 12.686 5.190 1.00 87.88 C +ATOM 3111 N ASP A 386 -15.767 15.601 -0.016 1.00 87.31 N +ATOM 3112 CA ASP A 386 -16.832 16.092 -0.894 1.00 87.31 C +ATOM 3113 C ASP A 386 -17.986 16.693 -0.057 1.00 87.31 C +ATOM 3114 CB ASP A 386 -17.307 14.948 -1.810 1.00 87.31 C +ATOM 3115 O ASP A 386 -18.532 16.007 0.825 1.00 87.31 O +ATOM 3116 CG ASP A 386 -18.176 15.385 -2.998 1.00 87.31 C +ATOM 3117 OD1 ASP A 386 -18.837 16.443 -2.886 1.00 87.31 O +ATOM 3118 OD2 ASP A 386 -18.182 14.639 -4.010 1.00 87.31 O +ATOM 3119 N PRO A 387 -18.385 17.957 -0.307 1.00 88.56 N +ATOM 3120 CA PRO A 387 -19.551 18.568 0.326 1.00 88.56 C +ATOM 3121 C PRO A 387 -20.824 17.725 0.198 1.00 88.56 C +ATOM 3122 CB PRO A 387 -19.710 19.938 -0.332 1.00 88.56 C +ATOM 3123 O PRO A 387 -21.601 17.681 1.148 1.00 88.56 O +ATOM 3124 CG PRO A 387 -18.280 20.288 -0.733 1.00 88.56 C +ATOM 3125 CD PRO A 387 -17.710 18.935 -1.149 1.00 88.56 C +ATOM 3126 N GLU A 388 -20.990 16.973 -0.903 1.00 89.56 N +ATOM 3127 CA GLU A 388 -22.122 16.050 -1.105 1.00 89.56 C +ATOM 3128 C GLU A 388 -22.290 15.077 0.078 1.00 89.56 C +ATOM 3129 CB GLU A 388 -21.909 15.256 -2.419 1.00 89.56 C +ATOM 3130 O GLU A 388 -23.411 14.728 0.450 1.00 89.56 O +ATOM 3131 CG GLU A 388 -23.119 14.382 -2.816 1.00 89.56 C +ATOM 3132 CD GLU A 388 -22.910 13.432 -4.020 1.00 89.56 C +ATOM 3133 OE1 GLU A 388 -23.905 12.774 -4.410 1.00 89.56 O +ATOM 3134 OE2 GLU A 388 -21.774 13.245 -4.529 1.00 89.56 O +ATOM 3135 N PHE A 389 -21.183 14.650 0.693 1.00 90.00 N +ATOM 3136 CA PHE A 389 -21.202 13.752 1.846 1.00 90.00 C +ATOM 3137 C PHE A 389 -21.270 14.515 3.166 1.00 90.00 C +ATOM 3138 CB PHE A 389 -19.974 12.832 1.803 1.00 90.00 C +ATOM 3139 O PHE A 389 -22.081 14.181 4.026 1.00 90.00 O +ATOM 3140 CG PHE A 389 -19.794 12.060 0.509 1.00 90.00 C +ATOM 3141 CD1 PHE A 389 -20.881 11.393 -0.092 1.00 90.00 C +ATOM 3142 CD2 PHE A 389 -18.529 12.009 -0.102 1.00 90.00 C +ATOM 3143 CE1 PHE A 389 -20.703 10.696 -1.300 1.00 90.00 C +ATOM 3144 CE2 PHE A 389 -18.351 11.321 -1.314 1.00 90.00 C +ATOM 3145 CZ PHE A 389 -19.436 10.656 -1.909 1.00 90.00 C +ATOM 3146 N THR A 390 -20.447 15.551 3.335 1.00 90.31 N +ATOM 3147 CA THR A 390 -20.327 16.252 4.627 1.00 90.31 C +ATOM 3148 C THR A 390 -21.560 17.090 4.985 1.00 90.31 C +ATOM 3149 CB THR A 390 -19.058 17.109 4.694 1.00 90.31 C +ATOM 3150 O THR A 390 -21.796 17.380 6.167 1.00 90.31 O +ATOM 3151 CG2 THR A 390 -17.781 16.301 4.474 1.00 90.31 C +ATOM 3152 OG1 THR A 390 -19.083 18.120 3.727 1.00 90.31 O +ATOM 3153 N GLU A 391 -22.385 17.441 3.998 1.00 90.56 N +ATOM 3154 CA GLU A 391 -23.691 18.082 4.184 1.00 90.56 C +ATOM 3155 C GLU A 391 -24.818 17.072 4.464 1.00 90.56 C +ATOM 3156 CB GLU A 391 -24.018 18.953 2.962 1.00 90.56 C +ATOM 3157 O GLU A 391 -25.859 17.452 5.005 1.00 90.56 O +ATOM 3158 CG GLU A 391 -23.045 20.140 2.828 1.00 90.56 C +ATOM 3159 CD GLU A 391 -23.319 21.032 1.606 1.00 90.56 C +ATOM 3160 OE1 GLU A 391 -22.566 22.021 1.449 1.00 90.56 O +ATOM 3161 OE2 GLU A 391 -24.289 20.764 0.859 1.00 90.56 O +ATOM 3162 N GLU A 392 -24.619 15.780 4.177 1.00 90.44 N +ATOM 3163 CA GLU A 392 -25.620 14.749 4.445 1.00 90.44 C +ATOM 3164 C GLU A 392 -25.790 14.525 5.964 1.00 90.44 C +ATOM 3165 CB GLU A 392 -25.288 13.431 3.710 1.00 90.44 C +ATOM 3166 O GLU A 392 -24.806 14.315 6.687 1.00 90.44 O +ATOM 3167 CG GLU A 392 -26.509 12.495 3.706 1.00 90.44 C +ATOM 3168 CD GLU A 392 -26.297 11.109 3.083 1.00 90.44 C +ATOM 3169 OE1 GLU A 392 -27.312 10.399 2.879 1.00 90.44 O +ATOM 3170 OE2 GLU A 392 -25.188 10.534 3.081 1.00 90.44 O +ATOM 3171 N PRO A 393 -27.031 14.516 6.493 1.00 89.50 N +ATOM 3172 CA PRO A 393 -27.259 14.212 7.898 1.00 89.50 C +ATOM 3173 C PRO A 393 -26.890 12.759 8.221 1.00 89.50 C +ATOM 3174 CB PRO A 393 -28.738 14.517 8.157 1.00 89.50 C +ATOM 3175 O PRO A 393 -27.172 11.824 7.462 1.00 89.50 O +ATOM 3176 CG PRO A 393 -29.382 14.323 6.784 1.00 89.50 C +ATOM 3177 CD PRO A 393 -28.293 14.790 5.820 1.00 89.50 C +ATOM 3178 N VAL A 394 -26.308 12.551 9.404 1.00 88.19 N +ATOM 3179 CA VAL A 394 -26.058 11.208 9.938 1.00 88.19 C +ATOM 3180 C VAL A 394 -27.405 10.487 10.107 1.00 88.19 C +ATOM 3181 CB VAL A 394 -25.285 11.270 11.268 1.00 88.19 C +ATOM 3182 O VAL A 394 -28.276 10.999 10.813 1.00 88.19 O +ATOM 3183 CG1 VAL A 394 -25.123 9.871 11.879 1.00 88.19 C +ATOM 3184 CG2 VAL A 394 -23.892 11.879 11.048 1.00 88.19 C +ATOM 3185 N PRO A 395 -27.627 9.313 9.480 1.00 84.75 N +ATOM 3186 CA PRO A 395 -28.913 8.632 9.582 1.00 84.75 C +ATOM 3187 C PRO A 395 -29.253 8.254 11.026 1.00 84.75 C +ATOM 3188 CB PRO A 395 -28.810 7.390 8.689 1.00 84.75 C +ATOM 3189 O PRO A 395 -28.449 7.624 11.707 1.00 84.75 O +ATOM 3190 CG PRO A 395 -27.716 7.761 7.692 1.00 84.75 C +ATOM 3191 CD PRO A 395 -26.776 8.649 8.503 1.00 84.75 C +ATOM 3192 N ASN A 396 -30.493 8.516 11.449 1.00 80.88 N +ATOM 3193 CA ASN A 396 -30.994 8.194 12.797 1.00 80.88 C +ATOM 3194 C ASN A 396 -30.909 6.701 13.178 1.00 80.88 C +ATOM 3195 CB ASN A 396 -32.464 8.655 12.886 1.00 80.88 C +ATOM 3196 O ASN A 396 -31.059 6.352 14.349 1.00 80.88 O +ATOM 3197 CG ASN A 396 -32.627 10.162 12.884 1.00 80.88 C +ATOM 3198 ND2 ASN A 396 -33.781 10.663 12.513 1.00 80.88 N +ATOM 3199 OD1 ASN A 396 -31.735 10.906 13.231 1.00 80.88 O +ATOM 3200 N SER A 397 -30.730 5.814 12.195 1.00 80.94 N +ATOM 3201 CA SER A 397 -30.556 4.372 12.397 1.00 80.94 C +ATOM 3202 C SER A 397 -29.128 3.977 12.795 1.00 80.94 C +ATOM 3203 CB SER A 397 -30.981 3.630 11.127 1.00 80.94 C +ATOM 3204 O SER A 397 -28.905 2.831 13.190 1.00 80.94 O +ATOM 3205 OG SER A 397 -30.141 3.966 10.035 1.00 80.94 O +ATOM 3206 N ILE A 398 -28.156 4.887 12.687 1.00 76.12 N +ATOM 3207 CA ILE A 398 -26.790 4.695 13.177 1.00 76.12 C +ATOM 3208 C ILE A 398 -26.807 4.876 14.700 1.00 76.12 C +ATOM 3209 CB ILE A 398 -25.819 5.684 12.490 1.00 76.12 C +ATOM 3210 O ILE A 398 -27.372 5.839 15.206 1.00 76.12 O +ATOM 3211 CG1 ILE A 398 -25.812 5.582 10.946 1.00 76.12 C +ATOM 3212 CG2 ILE A 398 -24.392 5.506 13.030 1.00 76.12 C +ATOM 3213 CD1 ILE A 398 -25.216 4.299 10.359 1.00 76.12 C +ATOM 3214 N GLY A 399 -26.225 3.935 15.446 1.00 64.94 N +ATOM 3215 CA GLY A 399 -26.214 3.989 16.913 1.00 64.94 C +ATOM 3216 C GLY A 399 -27.364 3.246 17.601 1.00 64.94 C +ATOM 3217 O GLY A 399 -27.265 2.968 18.792 1.00 64.94 O +ATOM 3218 N LYS A 400 -28.428 2.884 16.870 1.00 63.53 N +ATOM 3219 CA LYS A 400 -29.597 2.169 17.409 1.00 63.53 C +ATOM 3220 C LYS A 400 -29.615 0.715 16.927 1.00 63.53 C +ATOM 3221 CB LYS A 400 -30.896 2.916 17.049 1.00 63.53 C +ATOM 3222 O LYS A 400 -29.551 0.465 15.723 1.00 63.53 O +ATOM 3223 CG LYS A 400 -30.924 4.349 17.612 1.00 63.53 C +ATOM 3224 CD LYS A 400 -32.282 5.024 17.384 1.00 63.53 C +ATOM 3225 CE LYS A 400 -32.229 6.469 17.895 1.00 63.53 C +ATOM 3226 NZ LYS A 400 -33.550 7.137 17.792 1.00 63.53 N +ATOM 3227 N SER A 401 -29.710 -0.234 17.859 1.00 54.66 N +ATOM 3228 CA SER A 401 -30.098 -1.617 17.544 1.00 54.66 C +ATOM 3229 C SER A 401 -31.618 -1.664 17.369 1.00 54.66 C +ATOM 3230 CB SER A 401 -29.670 -2.573 18.665 1.00 54.66 C +ATOM 3231 O SER A 401 -32.304 -0.967 18.117 1.00 54.66 O +ATOM 3232 OG SER A 401 -29.992 -3.911 18.331 1.00 54.66 O +ATOM 3233 N PRO A 402 -32.174 -2.463 16.437 1.00 50.91 N +ATOM 3234 CA PRO A 402 -33.585 -2.826 16.506 1.00 50.91 C +ATOM 3235 C PRO A 402 -33.880 -3.370 17.907 1.00 50.91 C +ATOM 3236 CB PRO A 402 -33.806 -3.897 15.428 1.00 50.91 C +ATOM 3237 O PRO A 402 -33.076 -4.155 18.426 1.00 50.91 O +ATOM 3238 CG PRO A 402 -32.600 -3.750 14.499 1.00 50.91 C +ATOM 3239 CD PRO A 402 -31.493 -3.233 15.413 1.00 50.91 C +ATOM 3240 N ASP A 403 -34.983 -2.933 18.519 1.00 46.94 N +ATOM 3241 CA ASP A 403 -35.405 -3.439 19.822 1.00 46.94 C +ATOM 3242 C ASP A 403 -35.447 -4.973 19.778 1.00 46.94 C +ATOM 3243 CB ASP A 403 -36.768 -2.851 20.229 1.00 46.94 C +ATOM 3244 O ASP A 403 -35.989 -5.569 18.842 1.00 46.94 O +ATOM 3245 CG ASP A 403 -36.693 -1.356 20.561 1.00 46.94 C +ATOM 3246 OD1 ASP A 403 -35.704 -0.962 21.217 1.00 46.94 O +ATOM 3247 OD2 ASP A 403 -37.610 -0.624 20.131 1.00 46.94 O +ATOM 3248 N SER A 404 -34.856 -5.604 20.799 1.00 48.88 N +ATOM 3249 CA SER A 404 -34.702 -7.064 20.968 1.00 48.88 C +ATOM 3250 C SER A 404 -35.992 -7.867 20.701 1.00 48.88 C +ATOM 3251 CB SER A 404 -34.230 -7.289 22.413 1.00 48.88 C +ATOM 3252 O SER A 404 -35.959 -9.049 20.369 1.00 48.88 O +ATOM 3253 OG SER A 404 -34.007 -8.651 22.699 1.00 48.88 O +ATOM 3254 N VAL A 405 -37.147 -7.207 20.778 1.00 45.22 N +ATOM 3255 CA VAL A 405 -38.486 -7.789 20.685 1.00 45.22 C +ATOM 3256 C VAL A 405 -38.874 -8.238 19.258 1.00 45.22 C +ATOM 3257 CB VAL A 405 -39.500 -6.798 21.307 1.00 45.22 C +ATOM 3258 O VAL A 405 -39.791 -9.037 19.113 1.00 45.22 O +ATOM 3259 CG1 VAL A 405 -40.866 -7.444 21.562 1.00 45.22 C +ATOM 3260 CG2 VAL A 405 -39.014 -6.253 22.667 1.00 45.22 C +ATOM 3261 N LEU A 406 -38.175 -7.810 18.193 1.00 51.84 N +ATOM 3262 CA LEU A 406 -38.532 -8.137 16.792 1.00 51.84 C +ATOM 3263 C LEU A 406 -37.359 -8.672 15.944 1.00 51.84 C +ATOM 3264 CB LEU A 406 -39.276 -6.934 16.165 1.00 51.84 C +ATOM 3265 O LEU A 406 -37.223 -8.361 14.755 1.00 51.84 O +ATOM 3266 CG LEU A 406 -40.797 -6.969 16.414 1.00 51.84 C +ATOM 3267 CD1 LEU A 406 -41.379 -5.565 16.265 1.00 51.84 C +ATOM 3268 CD2 LEU A 406 -41.508 -7.885 15.410 1.00 51.84 C +ATOM 3269 N VAL A 407 -36.502 -9.521 16.519 1.00 56.62 N +ATOM 3270 CA VAL A 407 -35.467 -10.228 15.742 1.00 56.62 C +ATOM 3271 C VAL A 407 -36.115 -11.315 14.873 1.00 56.62 C +ATOM 3272 CB VAL A 407 -34.340 -10.796 16.627 1.00 56.62 C +ATOM 3273 O VAL A 407 -36.309 -12.452 15.297 1.00 56.62 O +ATOM 3274 CG1 VAL A 407 -33.213 -11.366 15.754 1.00 56.62 C +ATOM 3275 CG2 VAL A 407 -33.712 -9.712 17.511 1.00 56.62 C +ATOM 3276 N THR A 408 -36.458 -10.962 13.632 1.00 61.62 N +ATOM 3277 CA THR A 408 -36.972 -11.921 12.635 1.00 61.62 C +ATOM 3278 C THR A 408 -35.939 -13.015 12.315 1.00 61.62 C +ATOM 3279 CB THR A 408 -37.390 -11.217 11.333 1.00 61.62 C +ATOM 3280 O THR A 408 -34.738 -12.762 12.409 1.00 61.62 O +ATOM 3281 CG2 THR A 408 -38.389 -10.081 11.551 1.00 61.62 C +ATOM 3282 OG1 THR A 408 -36.257 -10.674 10.695 1.00 61.62 O +ATOM 3283 N ALA A 409 -36.378 -14.195 11.858 1.00 64.88 N +ATOM 3284 CA ALA A 409 -35.482 -15.281 11.425 1.00 64.88 C +ATOM 3285 C ALA A 409 -34.421 -14.805 10.411 1.00 64.88 C +ATOM 3286 CB ALA A 409 -36.340 -16.413 10.847 1.00 64.88 C +ATOM 3287 O ALA A 409 -33.238 -15.076 10.587 1.00 64.88 O +ATOM 3288 N SER A 410 -34.820 -13.948 9.461 1.00 63.22 N +ATOM 3289 CA SER A 410 -33.910 -13.333 8.480 1.00 63.22 C +ATOM 3290 C SER A 410 -32.764 -12.517 9.097 1.00 63.22 C +ATOM 3291 CB SER A 410 -34.709 -12.427 7.531 1.00 63.22 C +ATOM 3292 O SER A 410 -31.702 -12.379 8.499 1.00 63.22 O +ATOM 3293 OG SER A 410 -35.125 -11.200 8.132 1.00 63.22 O +ATOM 3294 N VAL A 411 -32.967 -11.946 10.289 1.00 61.28 N +ATOM 3295 CA VAL A 411 -31.945 -11.173 11.011 1.00 61.28 C +ATOM 3296 C VAL A 411 -30.990 -12.108 11.758 1.00 61.28 C +ATOM 3297 CB VAL A 411 -32.614 -10.148 11.949 1.00 61.28 C +ATOM 3298 O VAL A 411 -29.807 -11.794 11.861 1.00 61.28 O +ATOM 3299 CG1 VAL A 411 -31.626 -9.415 12.850 1.00 61.28 C +ATOM 3300 CG2 VAL A 411 -33.339 -9.054 11.147 1.00 61.28 C +ATOM 3301 N LYS A 412 -31.474 -13.265 12.234 1.00 61.25 N +ATOM 3302 CA LYS A 412 -30.627 -14.297 12.853 1.00 61.25 C +ATOM 3303 C LYS A 412 -29.723 -14.971 11.825 1.00 61.25 C +ATOM 3304 CB LYS A 412 -31.459 -15.353 13.591 1.00 61.25 C +ATOM 3305 O LYS A 412 -28.514 -14.955 12.017 1.00 61.25 O +ATOM 3306 CG LYS A 412 -32.168 -14.782 14.823 1.00 61.25 C +ATOM 3307 CD LYS A 412 -32.764 -15.917 15.662 1.00 61.25 C +ATOM 3308 CE LYS A 412 -33.423 -15.363 16.928 1.00 61.25 C +ATOM 3309 NZ LYS A 412 -33.965 -16.460 17.766 1.00 61.25 N +ATOM 3310 N GLU A 413 -30.283 -15.427 10.704 1.00 66.12 N +ATOM 3311 CA GLU A 413 -29.511 -15.972 9.572 1.00 66.12 C +ATOM 3312 C GLU A 413 -28.443 -14.974 9.109 1.00 66.12 C +ATOM 3313 CB GLU A 413 -30.459 -16.235 8.392 1.00 66.12 C +ATOM 3314 O GLU A 413 -27.280 -15.317 8.894 1.00 66.12 O +ATOM 3315 CG GLU A 413 -31.406 -17.425 8.607 1.00 66.12 C +ATOM 3316 CD GLU A 413 -32.478 -17.533 7.508 1.00 66.12 C +ATOM 3317 OE1 GLU A 413 -33.366 -18.402 7.656 1.00 66.12 O +ATOM 3318 OE2 GLU A 413 -32.477 -16.696 6.572 1.00 66.12 O +ATOM 3319 N ALA A 414 -28.817 -13.691 9.034 1.00 67.44 N +ATOM 3320 CA ALA A 414 -27.881 -12.642 8.680 1.00 67.44 C +ATOM 3321 C ALA A 414 -26.774 -12.427 9.717 1.00 67.44 C +ATOM 3322 CB ALA A 414 -28.654 -11.341 8.435 1.00 67.44 C +ATOM 3323 O ALA A 414 -25.702 -11.972 9.345 1.00 67.44 O +ATOM 3324 N ALA A 415 -27.006 -12.690 11.002 1.00 65.31 N +ATOM 3325 CA ALA A 415 -25.975 -12.593 12.031 1.00 65.31 C +ATOM 3326 C ALA A 415 -25.024 -13.798 12.012 1.00 65.31 C +ATOM 3327 CB ALA A 415 -26.653 -12.398 13.392 1.00 65.31 C +ATOM 3328 O ALA A 415 -23.819 -13.611 12.168 1.00 65.31 O +ATOM 3329 N GLU A 416 -25.548 -14.998 11.760 1.00 72.31 N +ATOM 3330 CA GLU A 416 -24.766 -16.236 11.655 1.00 72.31 C +ATOM 3331 C GLU A 416 -23.764 -16.189 10.492 1.00 72.31 C +ATOM 3332 CB GLU A 416 -25.729 -17.424 11.504 1.00 72.31 C +ATOM 3333 O GLU A 416 -22.627 -16.633 10.642 1.00 72.31 O +ATOM 3334 CG GLU A 416 -26.486 -17.703 12.815 1.00 72.31 C +ATOM 3335 CD GLU A 416 -27.605 -18.748 12.678 1.00 72.31 C +ATOM 3336 OE1 GLU A 416 -28.303 -18.957 13.698 1.00 72.31 O +ATOM 3337 OE2 GLU A 416 -27.787 -19.292 11.567 1.00 72.31 O +ATOM 3338 N ALA A 417 -24.129 -15.550 9.374 1.00 74.81 N +ATOM 3339 CA ALA A 417 -23.242 -15.363 8.222 1.00 74.81 C +ATOM 3340 C ALA A 417 -21.974 -14.527 8.514 1.00 74.81 C +ATOM 3341 CB ALA A 417 -24.064 -14.723 7.099 1.00 74.81 C +ATOM 3342 O ALA A 417 -21.010 -14.596 7.755 1.00 74.81 O +ATOM 3343 N PHE A 418 -21.958 -13.746 9.602 1.00 81.62 N +ATOM 3344 CA PHE A 418 -20.821 -12.908 10.016 1.00 81.62 C +ATOM 3345 C PHE A 418 -20.260 -13.333 11.382 1.00 81.62 C +ATOM 3346 CB PHE A 418 -21.194 -11.418 9.953 1.00 81.62 C +ATOM 3347 O PHE A 418 -19.783 -12.504 12.170 1.00 81.62 O +ATOM 3348 CG PHE A 418 -21.681 -10.955 8.594 1.00 81.62 C +ATOM 3349 CD1 PHE A 418 -20.784 -10.760 7.530 1.00 81.62 C +ATOM 3350 CD2 PHE A 418 -23.050 -10.740 8.390 1.00 81.62 C +ATOM 3351 CE1 PHE A 418 -21.267 -10.368 6.268 1.00 81.62 C +ATOM 3352 CE2 PHE A 418 -23.545 -10.390 7.123 1.00 81.62 C +ATOM 3353 CZ PHE A 418 -22.648 -10.201 6.059 1.00 81.62 C +ATOM 3354 N LEU A 419 -20.332 -14.630 11.697 1.00 79.81 N +ATOM 3355 CA LEU A 419 -19.676 -15.193 12.874 1.00 79.81 C +ATOM 3356 C LEU A 419 -18.162 -14.917 12.816 1.00 79.81 C +ATOM 3357 CB LEU A 419 -19.994 -16.695 12.970 1.00 79.81 C +ATOM 3358 O LEU A 419 -17.521 -15.086 11.782 1.00 79.81 O +ATOM 3359 CG LEU A 419 -19.545 -17.346 14.292 1.00 79.81 C +ATOM 3360 CD1 LEU A 419 -20.362 -16.839 15.486 1.00 79.81 C +ATOM 3361 CD2 LEU A 419 -19.710 -18.862 14.214 1.00 79.81 C +ATOM 3362 N GLY A 420 -17.591 -14.456 13.931 1.00 82.31 N +ATOM 3363 CA GLY A 420 -16.174 -14.084 14.012 1.00 82.31 C +ATOM 3364 C GLY A 420 -15.838 -12.679 13.502 1.00 82.31 C +ATOM 3365 O GLY A 420 -14.669 -12.318 13.521 1.00 82.31 O +ATOM 3366 N PHE A 421 -16.819 -11.864 13.088 1.00 84.19 N +ATOM 3367 CA PHE A 421 -16.562 -10.487 12.643 1.00 84.19 C +ATOM 3368 C PHE A 421 -15.980 -9.603 13.756 1.00 84.19 C +ATOM 3369 CB PHE A 421 -17.862 -9.881 12.098 1.00 84.19 C +ATOM 3370 O PHE A 421 -15.047 -8.846 13.508 1.00 84.19 O +ATOM 3371 CG PHE A 421 -17.704 -8.494 11.511 1.00 84.19 C +ATOM 3372 CD1 PHE A 421 -17.927 -7.346 12.296 1.00 84.19 C +ATOM 3373 CD2 PHE A 421 -17.307 -8.356 10.170 1.00 84.19 C +ATOM 3374 CE1 PHE A 421 -17.729 -6.071 11.739 1.00 84.19 C +ATOM 3375 CE2 PHE A 421 -17.118 -7.081 9.618 1.00 84.19 C +ATOM 3376 CZ PHE A 421 -17.310 -5.936 10.407 1.00 84.19 C +ATOM 3377 N SER A 422 -16.504 -9.708 14.980 1.00 82.50 N +ATOM 3378 CA SER A 422 -16.156 -8.797 16.074 1.00 82.50 C +ATOM 3379 C SER A 422 -14.683 -8.911 16.504 1.00 82.50 C +ATOM 3380 CB SER A 422 -17.078 -9.002 17.278 1.00 82.50 C +ATOM 3381 O SER A 422 -14.159 -10.015 16.641 1.00 82.50 O +ATOM 3382 OG SER A 422 -18.449 -8.896 16.910 1.00 82.50 O +ATOM 3383 N TYR A 423 -14.025 -7.777 16.738 1.00 79.94 N +ATOM 3384 CA TYR A 423 -12.652 -7.643 17.229 1.00 79.94 C +ATOM 3385 C TYR A 423 -12.461 -6.313 17.971 1.00 79.94 C +ATOM 3386 CB TYR A 423 -11.671 -7.713 16.051 1.00 79.94 C +ATOM 3387 O TYR A 423 -12.959 -5.274 17.531 1.00 79.94 O +ATOM 3388 CG TYR A 423 -10.260 -7.275 16.370 1.00 79.94 C +ATOM 3389 CD1 TYR A 423 -9.850 -5.953 16.090 1.00 79.94 C +ATOM 3390 CD2 TYR A 423 -9.353 -8.194 16.927 1.00 79.94 C +ATOM 3391 CE1 TYR A 423 -8.521 -5.560 16.333 1.00 79.94 C +ATOM 3392 CE2 TYR A 423 -8.030 -7.796 17.189 1.00 79.94 C +ATOM 3393 OH TYR A 423 -6.325 -6.121 17.123 1.00 79.94 O +ATOM 3394 CZ TYR A 423 -7.609 -6.485 16.883 1.00 79.94 C +ATOM 3395 N ALA A 424 -11.684 -6.355 19.051 1.00 69.62 N +ATOM 3396 CA ALA A 424 -11.113 -5.199 19.727 1.00 69.62 C +ATOM 3397 C ALA A 424 -9.677 -5.556 20.162 1.00 69.62 C +ATOM 3398 CB ALA A 424 -11.992 -4.831 20.930 1.00 69.62 C +ATOM 3399 O ALA A 424 -9.471 -6.685 20.620 1.00 69.62 O +ATOM 3400 N PRO A 425 -8.695 -4.654 20.012 1.00 63.28 N +ATOM 3401 CA PRO A 425 -7.331 -4.881 20.454 1.00 63.28 C +ATOM 3402 C PRO A 425 -7.278 -5.048 21.981 1.00 63.28 C +ATOM 3403 CB PRO A 425 -6.523 -3.668 19.981 1.00 63.28 C +ATOM 3404 O PRO A 425 -8.101 -4.459 22.692 1.00 63.28 O +ATOM 3405 CG PRO A 425 -7.564 -2.573 19.781 1.00 63.28 C +ATOM 3406 CD PRO A 425 -8.785 -3.371 19.360 1.00 63.28 C +ATOM 3407 N PRO A 426 -6.323 -5.837 22.509 1.00 56.03 N +ATOM 3408 CA PRO A 426 -6.044 -5.870 23.940 1.00 56.03 C +ATOM 3409 C PRO A 426 -5.672 -4.467 24.431 1.00 56.03 C +ATOM 3410 CB PRO A 426 -4.879 -6.853 24.123 1.00 56.03 C +ATOM 3411 O PRO A 426 -4.937 -3.755 23.752 1.00 56.03 O +ATOM 3412 CG PRO A 426 -4.865 -7.666 22.828 1.00 56.03 C +ATOM 3413 CD PRO A 426 -5.390 -6.683 21.788 1.00 56.03 C +ATOM 3414 N THR A 427 -6.136 -4.081 25.620 1.00 49.62 N +ATOM 3415 CA THR A 427 -5.924 -2.741 26.203 1.00 49.62 C +ATOM 3416 C THR A 427 -4.441 -2.329 26.275 1.00 49.62 C +ATOM 3417 CB THR A 427 -6.555 -2.686 27.608 1.00 49.62 C +ATOM 3418 O THR A 427 -4.137 -1.142 26.283 1.00 49.62 O +ATOM 3419 CG2 THR A 427 -6.934 -1.271 28.041 1.00 49.62 C +ATOM 3420 OG1 THR A 427 -7.756 -3.439 27.660 1.00 49.62 O +ATOM 3421 N ASP A 428 -3.516 -3.293 26.241 1.00 43.56 N +ATOM 3422 CA ASP A 428 -2.067 -3.073 26.326 1.00 43.56 C +ATOM 3423 C ASP A 428 -1.384 -2.719 24.988 1.00 43.56 C +ATOM 3424 CB ASP A 428 -1.415 -4.316 26.956 1.00 43.56 C +ATOM 3425 O ASP A 428 -0.188 -2.444 24.971 1.00 43.56 O +ATOM 3426 CG ASP A 428 -1.909 -4.610 28.377 1.00 43.56 C +ATOM 3427 OD1 ASP A 428 -2.263 -3.651 29.099 1.00 43.56 O +ATOM 3428 OD2 ASP A 428 -1.965 -5.812 28.718 1.00 43.56 O +ATOM 3429 N SER A 429 -2.087 -2.709 23.846 1.00 43.84 N +ATOM 3430 CA SER A 429 -1.448 -2.482 22.534 1.00 43.84 C +ATOM 3431 C SER A 429 -1.197 -1.011 22.158 1.00 43.84 C +ATOM 3432 CB SER A 429 -2.206 -3.217 21.426 1.00 43.84 C +ATOM 3433 O SER A 429 -0.763 -0.753 21.034 1.00 43.84 O +ATOM 3434 OG SER A 429 -3.498 -2.689 21.233 1.00 43.84 O +ATOM 3435 N PHE A 430 -1.497 -0.066 23.057 1.00 38.81 N +ATOM 3436 CA PHE A 430 -1.374 1.390 22.849 1.00 38.81 C +ATOM 3437 C PHE A 430 -0.194 2.040 23.600 1.00 38.81 C +ATOM 3438 CB PHE A 430 -2.715 2.070 23.170 1.00 38.81 C +ATOM 3439 O PHE A 430 -0.109 3.268 23.660 1.00 38.81 O +ATOM 3440 CG PHE A 430 -3.842 1.690 22.231 1.00 38.81 C +ATOM 3441 CD1 PHE A 430 -3.933 2.298 20.963 1.00 38.81 C +ATOM 3442 CD2 PHE A 430 -4.805 0.742 22.623 1.00 38.81 C +ATOM 3443 CE1 PHE A 430 -4.989 1.967 20.095 1.00 38.81 C +ATOM 3444 CE2 PHE A 430 -5.861 0.413 21.754 1.00 38.81 C +ATOM 3445 CZ PHE A 430 -5.956 1.029 20.494 1.00 38.81 C +ATOM 3446 N LEU A 431 0.712 1.224 24.147 1.00 28.02 N +ATOM 3447 CA LEU A 431 2.063 1.621 24.561 1.00 28.02 C +ATOM 3448 C LEU A 431 3.065 1.200 23.481 1.00 28.02 C +ATOM 3449 CB LEU A 431 2.383 0.987 25.932 1.00 28.02 C +ATOM 3450 O LEU A 431 4.042 1.954 23.282 1.00 28.02 O +ATOM 3451 CG LEU A 431 1.524 1.476 27.107 1.00 28.02 C +ATOM 3452 CD1 LEU A 431 1.856 0.648 28.348 1.00 28.02 C +ATOM 3453 CD2 LEU A 431 1.785 2.948 27.428 1.00 28.02 C +ATOM 3454 OXT LEU A 431 2.814 0.126 22.880 1.00 28.02 O +TER 3455 LEU A 431 +ENDMDL +END \ No newline at end of file diff --git a/notebooks/af_cache/O00571.pdb b/notebooks/af_cache/O00571.pdb new file mode 100644 index 0000000..ad5efbe --- /dev/null +++ b/notebooks/af_cache/O00571.pdb @@ -0,0 +1,5256 @@ +HEADER 01-AUG-25 +TITLE ALPHAFOLD MONOMER V2.0 PREDICTION FOR ATP-DEPENDENT RNA HELICASE +TITLE 2 DDX3X (O00571) +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: ATP-DEPENDENT RNA HELICASE DDX3X; +COMPND 3 CHAIN: A +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_TAXID: 9606 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH JOHN JUMPER, RICHARD EVANS, ALEXANDER PRITZEL, TIM GREEN, +REMARK 1 AUTH 2 MICHAEL FIGURNOV, OLAF RONNEBERGER, KATHRYN TUNYASUVUNAKOOL, +REMARK 1 AUTH 3 RUSS BATES, AUGUSTIN ZIDEK, ANNA POTAPENKO, ALEX BRIDGLAND, +REMARK 1 AUTH 4 CLEMENS MEYER, SIMON A A KOHL, ANDREW J BALLARD, +REMARK 1 AUTH 5 ANDREW COWIE, BERNARDINO ROMERA-PAREDES, STANISLAV NIKOLOV, +REMARK 1 AUTH 6 RISHUB JAIN, JONAS ADLER, TREVOR BACK, STIG PETERSEN, +REMARK 1 AUTH 7 DAVID REIMAN, ELLEN CLANCY, MICHAL ZIELINSKI, +REMARK 1 AUTH 8 MARTIN STEINEGGER, MICHALINA PACHOLSKA, TAMAS BERGHAMMER, +REMARK 1 AUTH 9 DAVID SILVER, ORIOL VINYALS, ANDREW W SENIOR, +REMARK 1 AUTH10 KORAY KAVUKCUOGLU, PUSHMEET KOHLI, DEMIS HASSABIS +REMARK 1 TITL HIGHLY ACCURATE PROTEIN STRUCTURE PREDICTION WITH ALPHAFOLD +REMARK 1 REF NATURE V. 596 583 2021 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 PMID 34265844 +REMARK 1 DOI 10.1038/s41586-021-03819-2 +REMARK 1 +REMARK 1 DISCLAIMERS +REMARK 1 ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE +REMARK 1 INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD +REMARK 1 BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY +REMARK 1 OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +REMARK 1 USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD +REMARK 1 PARTY. THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR +REMARK 1 PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT +REMARK 1 CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +REMARK 1 ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +DBREF XXXX A 1 662 UNP O00571 DDX3X_HUMAN 1 662 +SEQRES 1 A 662 MET SER HIS VAL ALA VAL GLU ASN ALA LEU GLY LEU ASP +SEQRES 2 A 662 GLN GLN PHE ALA GLY LEU ASP LEU ASN SER SER ASP ASN +SEQRES 3 A 662 GLN SER GLY GLY SER THR ALA SER LYS GLY ARG TYR ILE +SEQRES 4 A 662 PRO PRO HIS LEU ARG ASN ARG GLU ALA THR LYS GLY PHE +SEQRES 5 A 662 TYR ASP LYS ASP SER SER GLY TRP SER SER SER LYS ASP +SEQRES 6 A 662 LYS ASP ALA TYR SER SER PHE GLY SER ARG SER ASP SER +SEQRES 7 A 662 ARG GLY LYS SER SER PHE PHE SER ASP ARG GLY SER GLY +SEQRES 8 A 662 SER ARG GLY ARG PHE ASP ASP ARG GLY ARG SER ASP TYR +SEQRES 9 A 662 ASP GLY ILE GLY SER ARG GLY ASP ARG SER GLY PHE GLY +SEQRES 10 A 662 LYS PHE GLU ARG GLY GLY ASN SER ARG TRP CYS ASP LYS +SEQRES 11 A 662 SER ASP GLU ASP ASP TRP SER LYS PRO LEU PRO PRO SER +SEQRES 12 A 662 GLU ARG LEU GLU GLN GLU LEU PHE SER GLY GLY ASN THR +SEQRES 13 A 662 GLY ILE ASN PHE GLU LYS TYR ASP ASP ILE PRO VAL GLU +SEQRES 14 A 662 ALA THR GLY ASN ASN CYS PRO PRO HIS ILE GLU SER PHE +SEQRES 15 A 662 SER ASP VAL GLU MET GLY GLU ILE ILE MET GLY ASN ILE +SEQRES 16 A 662 GLU LEU THR ARG TYR THR ARG PRO THR PRO VAL GLN LYS +SEQRES 17 A 662 HIS ALA ILE PRO ILE ILE LYS GLU LYS ARG ASP LEU MET +SEQRES 18 A 662 ALA CYS ALA GLN THR GLY SER GLY LYS THR ALA ALA PHE +SEQRES 19 A 662 LEU LEU PRO ILE LEU SER GLN ILE TYR SER ASP GLY PRO +SEQRES 20 A 662 GLY GLU ALA LEU ARG ALA MET LYS GLU ASN GLY ARG TYR +SEQRES 21 A 662 GLY ARG ARG LYS GLN TYR PRO ILE SER LEU VAL LEU ALA +SEQRES 22 A 662 PRO THR ARG GLU LEU ALA VAL GLN ILE TYR GLU GLU ALA +SEQRES 23 A 662 ARG LYS PHE SER TYR ARG SER ARG VAL ARG PRO CYS VAL +SEQRES 24 A 662 VAL TYR GLY GLY ALA ASP ILE GLY GLN GLN ILE ARG ASP +SEQRES 25 A 662 LEU GLU ARG GLY CYS HIS LEU LEU VAL ALA THR PRO GLY +SEQRES 26 A 662 ARG LEU VAL ASP MET MET GLU ARG GLY LYS ILE GLY LEU +SEQRES 27 A 662 ASP PHE CYS LYS TYR LEU VAL LEU ASP GLU ALA ASP ARG +SEQRES 28 A 662 MET LEU ASP MET GLY PHE GLU PRO GLN ILE ARG ARG ILE +SEQRES 29 A 662 VAL GLU GLN ASP THR MET PRO PRO LYS GLY VAL ARG HIS +SEQRES 30 A 662 THR MET MET PHE SER ALA THR PHE PRO LYS GLU ILE GLN +SEQRES 31 A 662 MET LEU ALA ARG ASP PHE LEU ASP GLU TYR ILE PHE LEU +SEQRES 32 A 662 ALA VAL GLY ARG VAL GLY SER THR SER GLU ASN ILE THR +SEQRES 33 A 662 GLN LYS VAL VAL TRP VAL GLU GLU SER ASP LYS ARG SER +SEQRES 34 A 662 PHE LEU LEU ASP LEU LEU ASN ALA THR GLY LYS ASP SER +SEQRES 35 A 662 LEU THR LEU VAL PHE VAL GLU THR LYS LYS GLY ALA ASP +SEQRES 36 A 662 SER LEU GLU ASP PHE LEU TYR HIS GLU GLY TYR ALA CYS +SEQRES 37 A 662 THR SER ILE HIS GLY ASP ARG SER GLN ARG ASP ARG GLU +SEQRES 38 A 662 GLU ALA LEU HIS GLN PHE ARG SER GLY LYS SER PRO ILE +SEQRES 39 A 662 LEU VAL ALA THR ALA VAL ALA ALA ARG GLY LEU ASP ILE +SEQRES 40 A 662 SER ASN VAL LYS HIS VAL ILE ASN PHE ASP LEU PRO SER +SEQRES 41 A 662 ASP ILE GLU GLU TYR VAL HIS ARG ILE GLY ARG THR GLY +SEQRES 42 A 662 ARG VAL GLY ASN LEU GLY LEU ALA THR SER PHE PHE ASN +SEQRES 43 A 662 GLU ARG ASN ILE ASN ILE THR LYS ASP LEU LEU ASP LEU +SEQRES 44 A 662 LEU VAL GLU ALA LYS GLN GLU VAL PRO SER TRP LEU GLU +SEQRES 45 A 662 ASN MET ALA TYR GLU HIS HIS TYR LYS GLY SER SER ARG +SEQRES 46 A 662 GLY ARG SER LYS SER SER ARG PHE SER GLY GLY PHE GLY +SEQRES 47 A 662 ALA ARG ASP TYR ARG GLN SER SER GLY ALA SER SER SER +SEQRES 48 A 662 SER PHE SER SER SER ARG ALA SER SER SER ARG SER GLY +SEQRES 49 A 662 GLY GLY GLY HIS GLY SER SER ARG GLY PHE GLY GLY GLY +SEQRES 50 A 662 GLY TYR GLY GLY PHE TYR ASN SER ASP GLY TYR GLY GLY +SEQRES 51 A 662 ASN TYR ASN SER GLN GLY VAL ASP TRP TRP GLY ASN +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +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 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N MET A 1 -40.587 36.395 -9.593 1.00 34.84 N +ATOM 2 CA MET A 1 -42.060 36.248 -9.534 1.00 34.84 C +ATOM 3 C MET A 1 -42.384 35.090 -8.597 1.00 34.84 C +ATOM 4 CB MET A 1 -42.660 36.003 -10.931 1.00 34.84 C +ATOM 5 O MET A 1 -41.578 34.174 -8.549 1.00 34.84 O +ATOM 6 CG MET A 1 -42.788 37.300 -11.741 1.00 34.84 C +ATOM 7 SD MET A 1 -43.326 37.028 -13.449 1.00 34.84 S +ATOM 8 CE MET A 1 -43.780 38.713 -13.946 1.00 34.84 C +ATOM 9 N SER A 2 -43.507 35.180 -7.868 1.00 36.12 N +ATOM 10 CA SER A 2 -44.102 34.163 -6.965 1.00 36.12 C +ATOM 11 C SER A 2 -43.210 33.527 -5.878 1.00 36.12 C +ATOM 12 CB SER A 2 -44.860 33.086 -7.755 1.00 36.12 C +ATOM 13 O SER A 2 -42.445 32.604 -6.137 1.00 36.12 O +ATOM 14 OG SER A 2 -44.053 32.537 -8.773 1.00 36.12 O +ATOM 15 N HIS A 3 -43.423 33.973 -4.633 1.00 34.00 N +ATOM 16 CA HIS A 3 -43.110 33.237 -3.399 1.00 34.00 C +ATOM 17 C HIS A 3 -43.870 31.902 -3.320 1.00 34.00 C +ATOM 18 CB HIS A 3 -43.644 34.040 -2.192 1.00 34.00 C +ATOM 19 O HIS A 3 -45.020 31.863 -3.750 1.00 34.00 O +ATOM 20 CG HIS A 3 -42.971 35.342 -1.859 1.00 34.00 C +ATOM 21 CD2 HIS A 3 -43.157 36.550 -2.476 1.00 34.00 C +ATOM 22 ND1 HIS A 3 -42.197 35.575 -0.745 1.00 34.00 N +ATOM 23 CE1 HIS A 3 -41.908 36.886 -0.704 1.00 34.00 C +ATOM 24 NE2 HIS A 3 -42.463 37.519 -1.750 1.00 34.00 N +ATOM 25 N VAL A 4 -43.321 30.923 -2.587 1.00 41.41 N +ATOM 26 CA VAL A 4 -44.000 30.301 -1.427 1.00 41.41 C +ATOM 27 C VAL A 4 -42.934 29.984 -0.368 1.00 41.41 C +ATOM 28 CB VAL A 4 -44.793 29.009 -1.751 1.00 41.41 C +ATOM 29 O VAL A 4 -41.913 29.385 -0.690 1.00 41.41 O +ATOM 30 CG1 VAL A 4 -45.487 28.464 -0.492 1.00 41.41 C +ATOM 31 CG2 VAL A 4 -45.907 29.204 -2.786 1.00 41.41 C +ATOM 32 N ALA A 5 -43.176 30.372 0.884 1.00 32.91 N +ATOM 33 CA ALA A 5 -42.461 29.865 2.056 1.00 32.91 C +ATOM 34 C ALA A 5 -43.440 29.029 2.892 1.00 32.91 C +ATOM 35 CB ALA A 5 -41.882 31.041 2.853 1.00 32.91 C +ATOM 36 O ALA A 5 -44.623 29.366 2.949 1.00 32.91 O +ATOM 37 N VAL A 6 -42.960 27.961 3.533 1.00 43.72 N +ATOM 38 CA VAL A 6 -43.741 27.176 4.500 1.00 43.72 C +ATOM 39 C VAL A 6 -42.876 26.920 5.728 1.00 43.72 C +ATOM 40 CB VAL A 6 -44.279 25.852 3.908 1.00 43.72 C +ATOM 41 O VAL A 6 -41.990 26.071 5.713 1.00 43.72 O +ATOM 42 CG1 VAL A 6 -45.134 25.094 4.934 1.00 43.72 C +ATOM 43 CG2 VAL A 6 -45.161 26.094 2.675 1.00 43.72 C +ATOM 44 N GLU A 7 -43.153 27.661 6.794 1.00 31.33 N +ATOM 45 CA GLU A 7 -42.810 27.259 8.157 1.00 31.33 C +ATOM 46 C GLU A 7 -43.808 26.186 8.613 1.00 31.33 C +ATOM 47 CB GLU A 7 -42.938 28.464 9.108 1.00 31.33 C +ATOM 48 O GLU A 7 -45.006 26.344 8.362 1.00 31.33 O +ATOM 49 CG GLU A 7 -41.993 29.631 8.791 1.00 31.33 C +ATOM 50 CD GLU A 7 -42.303 30.862 9.659 1.00 31.33 C +ATOM 51 OE1 GLU A 7 -41.359 31.380 10.294 1.00 31.33 O +ATOM 52 OE2 GLU A 7 -43.479 31.293 9.650 1.00 31.33 O +ATOM 53 N ASN A 8 -43.347 25.130 9.298 1.00 37.53 N +ATOM 54 CA ASN A 8 -43.999 24.565 10.493 1.00 37.53 C +ATOM 55 C ASN A 8 -43.286 23.315 11.046 1.00 37.53 C +ATOM 56 CB ASN A 8 -45.495 24.242 10.257 1.00 37.53 C +ATOM 57 O ASN A 8 -42.529 22.657 10.339 1.00 37.53 O +ATOM 58 CG ASN A 8 -46.374 25.337 10.840 1.00 37.53 C +ATOM 59 ND2 ASN A 8 -47.279 25.896 10.079 1.00 37.53 N +ATOM 60 OD1 ASN A 8 -46.246 25.701 11.995 1.00 37.53 O +ATOM 61 N ALA A 9 -43.658 22.970 12.287 1.00 39.81 N +ATOM 62 CA ALA A 9 -43.386 21.721 13.016 1.00 39.81 C +ATOM 63 C ALA A 9 -42.049 21.613 13.782 1.00 39.81 C +ATOM 64 CB ALA A 9 -43.760 20.494 12.172 1.00 39.81 C +ATOM 65 O ALA A 9 -41.184 20.788 13.498 1.00 39.81 O +ATOM 66 N LEU A 10 -41.973 22.387 14.869 1.00 34.75 N +ATOM 67 CA LEU A 10 -41.297 21.977 16.106 1.00 34.75 C +ATOM 68 C LEU A 10 -41.870 20.641 16.624 1.00 34.75 C +ATOM 69 CB LEU A 10 -41.593 23.046 17.181 1.00 34.75 C +ATOM 70 O LEU A 10 -43.085 20.451 16.570 1.00 34.75 O +ATOM 71 CG LEU A 10 -40.907 24.406 16.966 1.00 34.75 C +ATOM 72 CD1 LEU A 10 -41.741 25.527 17.589 1.00 34.75 C +ATOM 73 CD2 LEU A 10 -39.523 24.419 17.614 1.00 34.75 C +ATOM 74 N GLY A 11 -41.032 19.798 17.241 1.00 31.34 N +ATOM 75 CA GLY A 11 -41.491 18.752 18.168 1.00 31.34 C +ATOM 76 C GLY A 11 -40.922 17.351 17.939 1.00 31.34 C +ATOM 77 O GLY A 11 -41.597 16.512 17.354 1.00 31.34 O +ATOM 78 N LEU A 12 -39.731 17.079 18.486 1.00 39.75 N +ATOM 79 CA LEU A 12 -39.218 15.713 18.714 1.00 39.75 C +ATOM 80 C LEU A 12 -38.320 15.597 19.971 1.00 39.75 C +ATOM 81 CB LEU A 12 -38.529 15.192 17.428 1.00 39.75 C +ATOM 82 O LEU A 12 -38.261 14.531 20.577 1.00 39.75 O +ATOM 83 CG LEU A 12 -39.370 14.119 16.699 1.00 39.75 C +ATOM 84 CD1 LEU A 12 -38.929 13.966 15.243 1.00 39.75 C +ATOM 85 CD2 LEU A 12 -39.253 12.753 17.380 1.00 39.75 C +ATOM 86 N ASP A 13 -37.723 16.695 20.450 1.00 41.94 N +ATOM 87 CA ASP A 13 -36.765 16.716 21.577 1.00 41.94 C +ATOM 88 C ASP A 13 -37.378 16.603 22.996 1.00 41.94 C +ATOM 89 CB ASP A 13 -35.878 17.970 21.459 1.00 41.94 C +ATOM 90 O ASP A 13 -36.846 17.169 23.952 1.00 41.94 O +ATOM 91 CG ASP A 13 -35.180 18.055 20.105 1.00 41.94 C +ATOM 92 OD1 ASP A 13 -34.510 17.066 19.741 1.00 41.94 O +ATOM 93 OD2 ASP A 13 -35.400 19.079 19.422 1.00 41.94 O +ATOM 94 N GLN A 14 -38.521 15.926 23.176 1.00 38.59 N +ATOM 95 CA GLN A 14 -39.257 15.962 24.458 1.00 38.59 C +ATOM 96 C GLN A 14 -39.837 14.621 24.952 1.00 38.59 C +ATOM 97 CB GLN A 14 -40.276 17.126 24.432 1.00 38.59 C +ATOM 98 O GLN A 14 -40.755 14.623 25.769 1.00 38.59 O +ATOM 99 CG GLN A 14 -40.387 17.819 25.801 1.00 38.59 C +ATOM 100 CD GLN A 14 -41.202 19.108 25.742 1.00 38.59 C +ATOM 101 NE2 GLN A 14 -40.601 20.253 25.985 1.00 38.59 N +ATOM 102 OE1 GLN A 14 -42.391 19.123 25.475 1.00 38.59 O +ATOM 103 N GLN A 15 -39.313 13.471 24.499 1.00 40.97 N +ATOM 104 CA GLN A 15 -39.846 12.141 24.872 1.00 40.97 C +ATOM 105 C GLN A 15 -38.878 11.161 25.569 1.00 40.97 C +ATOM 106 CB GLN A 15 -40.581 11.509 23.673 1.00 40.97 C +ATOM 107 O GLN A 15 -39.291 10.049 25.878 1.00 40.97 O +ATOM 108 CG GLN A 15 -41.951 12.177 23.465 1.00 40.97 C +ATOM 109 CD GLN A 15 -42.846 11.426 22.484 1.00 40.97 C +ATOM 110 NE2 GLN A 15 -44.150 11.526 22.623 1.00 40.97 N +ATOM 111 OE1 GLN A 15 -42.416 10.746 21.571 1.00 40.97 O +ATOM 112 N PHE A 16 -37.642 11.557 25.905 1.00 39.88 N +ATOM 113 CA PHE A 16 -36.666 10.675 26.586 1.00 39.88 C +ATOM 114 C PHE A 16 -36.194 11.169 27.968 1.00 39.88 C +ATOM 115 CB PHE A 16 -35.536 10.295 25.614 1.00 39.88 C +ATOM 116 O PHE A 16 -35.116 10.812 28.435 1.00 39.88 O +ATOM 117 CG PHE A 16 -35.984 9.264 24.595 1.00 39.88 C +ATOM 118 CD1 PHE A 16 -36.124 7.918 24.988 1.00 39.88 C +ATOM 119 CD2 PHE A 16 -36.296 9.642 23.275 1.00 39.88 C +ATOM 120 CE1 PHE A 16 -36.574 6.955 24.068 1.00 39.88 C +ATOM 121 CE2 PHE A 16 -36.746 8.677 22.355 1.00 39.88 C +ATOM 122 CZ PHE A 16 -36.885 7.335 22.751 1.00 39.88 C +ATOM 123 N ALA A 17 -37.017 11.965 28.658 1.00 33.91 N +ATOM 124 CA ALA A 17 -36.760 12.410 30.028 1.00 33.91 C +ATOM 125 C ALA A 17 -37.716 11.728 31.022 1.00 33.91 C +ATOM 126 CB ALA A 17 -36.826 13.942 30.072 1.00 33.91 C +ATOM 127 O ALA A 17 -38.779 12.259 31.341 1.00 33.91 O +ATOM 128 N GLY A 18 -37.323 10.555 31.525 1.00 35.38 N +ATOM 129 CA GLY A 18 -38.007 9.903 32.641 1.00 35.38 C +ATOM 130 C GLY A 18 -37.856 8.387 32.665 1.00 35.38 C +ATOM 131 O GLY A 18 -38.568 7.706 31.938 1.00 35.38 O +ATOM 132 N LEU A 19 -36.970 7.889 33.534 1.00 36.47 N +ATOM 133 CA LEU A 19 -37.149 6.710 34.401 1.00 36.47 C +ATOM 134 C LEU A 19 -35.853 6.479 35.199 1.00 36.47 C +ATOM 135 CB LEU A 19 -37.605 5.441 33.640 1.00 36.47 C +ATOM 136 O LEU A 19 -35.043 5.613 34.887 1.00 36.47 O +ATOM 137 CG LEU A 19 -39.135 5.220 33.666 1.00 36.47 C +ATOM 138 CD1 LEU A 19 -39.506 4.086 32.711 1.00 36.47 C +ATOM 139 CD2 LEU A 19 -39.660 4.852 35.059 1.00 36.47 C +ATOM 140 N ASP A 20 -35.675 7.291 36.238 1.00 33.03 N +ATOM 141 CA ASP A 20 -34.628 7.135 37.250 1.00 33.03 C +ATOM 142 C ASP A 20 -35.282 6.510 38.494 1.00 33.03 C +ATOM 143 CB ASP A 20 -34.019 8.529 37.544 1.00 33.03 C +ATOM 144 O ASP A 20 -36.145 7.142 39.110 1.00 33.03 O +ATOM 145 CG ASP A 20 -32.490 8.579 37.607 1.00 33.03 C +ATOM 146 OD1 ASP A 20 -31.862 7.508 37.751 1.00 33.03 O +ATOM 147 OD2 ASP A 20 -31.974 9.717 37.544 1.00 33.03 O +ATOM 148 N LEU A 21 -34.935 5.271 38.862 1.00 39.00 N +ATOM 149 CA LEU A 21 -35.351 4.677 40.141 1.00 39.00 C +ATOM 150 C LEU A 21 -34.246 3.811 40.752 1.00 39.00 C +ATOM 151 CB LEU A 21 -36.689 3.912 40.040 1.00 39.00 C +ATOM 152 O LEU A 21 -33.842 2.777 40.229 1.00 39.00 O +ATOM 153 CG LEU A 21 -37.948 4.753 40.350 1.00 39.00 C +ATOM 154 CD1 LEU A 21 -39.189 3.866 40.232 1.00 39.00 C +ATOM 155 CD2 LEU A 21 -37.954 5.347 41.767 1.00 39.00 C +ATOM 156 N ASN A 22 -33.801 4.270 41.914 1.00 30.69 N +ATOM 157 CA ASN A 22 -32.661 3.793 42.677 1.00 30.69 C +ATOM 158 C ASN A 22 -33.143 2.896 43.835 1.00 30.69 C +ATOM 159 CB ASN A 22 -31.983 5.091 43.172 1.00 30.69 C +ATOM 160 O ASN A 22 -34.055 3.304 44.554 1.00 30.69 O +ATOM 161 CG ASN A 22 -30.507 4.997 43.472 1.00 30.69 C +ATOM 162 ND2 ASN A 22 -29.901 6.105 43.828 1.00 30.69 N +ATOM 163 OD1 ASN A 22 -29.874 3.962 43.381 1.00 30.69 O +ATOM 164 N SER A 23 -32.565 1.703 44.023 1.00 34.19 N +ATOM 165 CA SER A 23 -32.523 0.896 45.274 1.00 34.19 C +ATOM 166 C SER A 23 -32.113 -0.552 44.954 1.00 34.19 C +ATOM 167 CB SER A 23 -33.869 0.833 46.040 1.00 34.19 C +ATOM 168 O SER A 23 -32.564 -1.103 43.962 1.00 34.19 O +ATOM 169 OG SER A 23 -35.005 0.790 45.200 1.00 34.19 O +ATOM 170 N SER A 24 -31.352 -1.319 45.733 1.00 36.06 N +ATOM 171 CA SER A 24 -30.369 -1.127 46.809 1.00 36.06 C +ATOM 172 C SER A 24 -30.087 -2.534 47.372 1.00 36.06 C +ATOM 173 CB SER A 24 -30.855 -0.265 47.988 1.00 36.06 C +ATOM 174 O SER A 24 -31.029 -3.286 47.606 1.00 36.06 O +ATOM 175 OG SER A 24 -32.159 -0.632 48.378 1.00 36.06 O +ATOM 176 N ASP A 25 -28.823 -2.818 47.682 1.00 34.03 N +ATOM 177 CA ASP A 25 -28.351 -3.774 48.698 1.00 34.03 C +ATOM 178 C ASP A 25 -28.311 -5.314 48.496 1.00 34.03 C +ATOM 179 CB ASP A 25 -28.925 -3.405 50.079 1.00 34.03 C +ATOM 180 O ASP A 25 -29.310 -6.024 48.440 1.00 34.03 O +ATOM 181 CG ASP A 25 -28.350 -2.107 50.652 1.00 34.03 C +ATOM 182 OD1 ASP A 25 -27.370 -1.584 50.071 1.00 34.03 O +ATOM 183 OD2 ASP A 25 -28.869 -1.678 51.703 1.00 34.03 O +ATOM 184 N ASN A 26 -27.069 -5.789 48.701 1.00 33.75 N +ATOM 185 CA ASN A 26 -26.618 -6.883 49.586 1.00 33.75 C +ATOM 186 C ASN A 26 -26.230 -8.272 49.026 1.00 33.75 C +ATOM 187 CB ASN A 26 -27.450 -6.992 50.889 1.00 33.75 C +ATOM 188 O ASN A 26 -27.077 -9.095 48.715 1.00 33.75 O +ATOM 189 CG ASN A 26 -26.942 -6.107 52.013 1.00 33.75 C +ATOM 190 ND2 ASN A 26 -27.815 -5.542 52.809 1.00 33.75 N +ATOM 191 OD1 ASN A 26 -25.748 -5.962 52.236 1.00 33.75 O +ATOM 192 N GLN A 27 -24.922 -8.558 49.198 1.00 34.38 N +ATOM 193 CA GLN A 27 -24.311 -9.828 49.660 1.00 34.38 C +ATOM 194 C GLN A 27 -24.454 -11.094 48.780 1.00 34.38 C +ATOM 195 CB GLN A 27 -24.800 -10.110 51.100 1.00 34.38 C +ATOM 196 O GLN A 27 -25.460 -11.327 48.138 1.00 34.38 O +ATOM 197 CG GLN A 27 -24.305 -9.079 52.130 1.00 34.38 C +ATOM 198 CD GLN A 27 -25.007 -9.208 53.481 1.00 34.38 C +ATOM 199 NE2 GLN A 27 -25.366 -8.113 54.110 1.00 34.38 N +ATOM 200 OE1 GLN A 27 -25.231 -10.286 54.003 1.00 34.38 O +ATOM 201 N SER A 28 -23.525 -12.058 48.775 1.00 32.75 N +ATOM 202 CA SER A 28 -22.088 -12.117 49.111 1.00 32.75 C +ATOM 203 C SER A 28 -21.563 -13.509 48.691 1.00 32.75 C +ATOM 204 CB SER A 28 -21.818 -11.953 50.616 1.00 32.75 C +ATOM 205 O SER A 28 -22.355 -14.439 48.566 1.00 32.75 O +ATOM 206 OG SER A 28 -22.448 -12.963 51.370 1.00 32.75 O +ATOM 207 N GLY A 29 -20.243 -13.688 48.553 1.00 32.28 N +ATOM 208 CA GLY A 29 -19.617 -15.020 48.468 1.00 32.28 C +ATOM 209 C GLY A 29 -19.054 -15.382 47.091 1.00 32.28 C +ATOM 210 O GLY A 29 -19.783 -15.539 46.120 1.00 32.28 O +ATOM 211 N GLY A 30 -17.732 -15.545 47.017 1.00 27.17 N +ATOM 212 CA GLY A 30 -17.037 -16.004 45.812 1.00 27.17 C +ATOM 213 C GLY A 30 -16.417 -17.391 45.982 1.00 27.17 C +ATOM 214 O GLY A 30 -16.284 -17.897 47.094 1.00 27.17 O +ATOM 215 N SER A 31 -15.953 -17.975 44.878 1.00 32.72 N +ATOM 216 CA SER A 31 -14.885 -18.982 44.895 1.00 32.72 C +ATOM 217 C SER A 31 -14.127 -18.981 43.564 1.00 32.72 C +ATOM 218 CB SER A 31 -15.403 -20.379 45.259 1.00 32.72 C +ATOM 219 O SER A 31 -14.678 -18.665 42.512 1.00 32.72 O +ATOM 220 OG SER A 31 -16.410 -20.813 44.374 1.00 32.72 O +ATOM 221 N THR A 32 -12.827 -19.259 43.627 1.00 30.94 N +ATOM 222 CA THR A 32 -11.892 -19.202 42.498 1.00 30.94 C +ATOM 223 C THR A 32 -11.762 -20.560 41.807 1.00 30.94 C +ATOM 224 CB THR A 32 -10.506 -18.748 42.992 1.00 30.94 C +ATOM 225 O THR A 32 -11.598 -21.580 42.472 1.00 30.94 O +ATOM 226 CG2 THR A 32 -10.451 -17.247 43.268 1.00 30.94 C +ATOM 227 OG1 THR A 32 -10.171 -19.376 44.212 1.00 30.94 O +ATOM 228 N ALA A 33 -11.738 -20.580 40.470 1.00 36.72 N +ATOM 229 CA ALA A 33 -11.410 -21.773 39.684 1.00 36.72 C +ATOM 230 C ALA A 33 -10.376 -21.465 38.585 1.00 36.72 C +ATOM 231 CB ALA A 33 -12.692 -22.413 39.145 1.00 36.72 C +ATOM 232 O ALA A 33 -10.308 -20.365 38.040 1.00 36.72 O +ATOM 233 N SER A 34 -9.506 -22.437 38.326 1.00 39.69 N +ATOM 234 CA SER A 34 -8.205 -22.281 37.676 1.00 39.69 C +ATOM 235 C SER A 34 -8.203 -22.328 36.139 1.00 39.69 C +ATOM 236 CB SER A 34 -7.261 -23.358 38.233 1.00 39.69 C +ATOM 237 O SER A 34 -8.983 -23.018 35.492 1.00 39.69 O +ATOM 238 OG SER A 34 -7.928 -24.604 38.314 1.00 39.69 O +ATOM 239 N LYS A 35 -7.205 -21.630 35.578 1.00 35.16 N +ATOM 240 CA LYS A 35 -6.716 -21.650 34.184 1.00 35.16 C +ATOM 241 C LYS A 35 -6.908 -22.984 33.432 1.00 35.16 C +ATOM 242 CB LYS A 35 -5.196 -21.373 34.227 1.00 35.16 C +ATOM 243 O LYS A 35 -6.229 -23.963 33.739 1.00 35.16 O +ATOM 244 CG LYS A 35 -4.802 -19.978 34.735 1.00 35.16 C +ATOM 245 CD LYS A 35 -3.281 -19.884 34.938 1.00 35.16 C +ATOM 246 CE LYS A 35 -2.902 -18.450 35.329 1.00 35.16 C +ATOM 247 NZ LYS A 35 -1.456 -18.310 35.636 1.00 35.16 N +ATOM 248 N GLY A 36 -7.668 -22.959 32.334 1.00 42.00 N +ATOM 249 CA GLY A 36 -7.622 -23.975 31.273 1.00 42.00 C +ATOM 250 C GLY A 36 -6.723 -23.542 30.106 1.00 42.00 C +ATOM 251 O GLY A 36 -6.835 -22.415 29.627 1.00 42.00 O +ATOM 252 N ARG A 37 -5.823 -24.417 29.633 1.00 51.59 N +ATOM 253 CA ARG A 37 -5.043 -24.188 28.397 1.00 51.59 C +ATOM 254 C ARG A 37 -5.896 -24.493 27.160 1.00 51.59 C +ATOM 255 CB ARG A 37 -3.758 -25.038 28.372 1.00 51.59 C +ATOM 256 O ARG A 37 -6.652 -25.460 27.154 1.00 51.59 O +ATOM 257 CG ARG A 37 -2.607 -24.458 29.209 1.00 51.59 C +ATOM 258 CD ARG A 37 -1.379 -25.379 29.117 1.00 51.59 C +ATOM 259 NE ARG A 37 -0.184 -24.798 29.765 1.00 51.59 N +ATOM 260 NH1 ARG A 37 1.114 -26.698 29.768 1.00 51.59 N +ATOM 261 NH2 ARG A 37 1.959 -24.794 30.553 1.00 51.59 N +ATOM 262 CZ ARG A 37 0.950 -25.430 30.026 1.00 51.59 C +ATOM 263 N TYR A 38 -5.718 -23.708 26.099 1.00 61.62 N +ATOM 264 CA TYR A 38 -6.323 -23.958 24.788 1.00 61.62 C +ATOM 265 C TYR A 38 -5.829 -25.285 24.183 1.00 61.62 C +ATOM 266 CB TYR A 38 -6.003 -22.766 23.874 1.00 61.62 C +ATOM 267 O TYR A 38 -4.628 -25.556 24.178 1.00 61.62 O +ATOM 268 CG TYR A 38 -6.487 -22.896 22.441 1.00 61.62 C +ATOM 269 CD1 TYR A 38 -5.569 -23.191 21.413 1.00 61.62 C +ATOM 270 CD2 TYR A 38 -7.843 -22.673 22.129 1.00 61.62 C +ATOM 271 CE1 TYR A 38 -5.996 -23.234 20.072 1.00 61.62 C +ATOM 272 CE2 TYR A 38 -8.277 -22.737 20.790 1.00 61.62 C +ATOM 273 OH TYR A 38 -7.769 -23.021 18.465 1.00 61.62 O +ATOM 274 CZ TYR A 38 -7.353 -23.003 19.759 1.00 61.62 C +ATOM 275 N ILE A 39 -6.756 -26.088 23.653 1.00 69.94 N +ATOM 276 CA ILE A 39 -6.480 -27.334 22.922 1.00 69.94 C +ATOM 277 C ILE A 39 -6.949 -27.132 21.473 1.00 69.94 C +ATOM 278 CB ILE A 39 -7.170 -28.552 23.586 1.00 69.94 C +ATOM 279 O ILE A 39 -8.136 -26.852 21.273 1.00 69.94 O +ATOM 280 CG1 ILE A 39 -6.652 -28.753 25.030 1.00 69.94 C +ATOM 281 CG2 ILE A 39 -6.945 -29.825 22.744 1.00 69.94 C +ATOM 282 CD1 ILE A 39 -7.370 -29.861 25.812 1.00 69.94 C +ATOM 283 N PRO A 40 -6.064 -27.256 20.464 1.00 54.53 N +ATOM 284 CA PRO A 40 -6.420 -26.992 19.075 1.00 54.53 C +ATOM 285 C PRO A 40 -7.410 -28.036 18.511 1.00 54.53 C +ATOM 286 CB PRO A 40 -5.095 -26.945 18.308 1.00 54.53 C +ATOM 287 O PRO A 40 -7.419 -29.186 18.962 1.00 54.53 O +ATOM 288 CG PRO A 40 -4.177 -27.842 19.138 1.00 54.53 C +ATOM 289 CD PRO A 40 -4.648 -27.584 20.568 1.00 54.53 C +ATOM 290 N PRO A 41 -8.232 -27.679 17.500 1.00 52.12 N +ATOM 291 CA PRO A 41 -9.412 -28.466 17.112 1.00 52.12 C +ATOM 292 C PRO A 41 -9.151 -29.918 16.687 1.00 52.12 C +ATOM 293 CB PRO A 41 -10.068 -27.679 15.971 1.00 52.12 C +ATOM 294 O PRO A 41 -10.023 -30.764 16.858 1.00 52.12 O +ATOM 295 CG PRO A 41 -9.670 -26.236 16.261 1.00 52.12 C +ATOM 296 CD PRO A 41 -8.257 -26.389 16.814 1.00 52.12 C +ATOM 297 N HIS A 42 -7.957 -30.229 16.175 1.00 72.31 N +ATOM 298 CA HIS A 42 -7.594 -31.565 15.690 1.00 72.31 C +ATOM 299 C HIS A 42 -7.303 -32.591 16.808 1.00 72.31 C +ATOM 300 CB HIS A 42 -6.425 -31.431 14.700 1.00 72.31 C +ATOM 301 O HIS A 42 -7.164 -33.775 16.515 1.00 72.31 O +ATOM 302 CG HIS A 42 -5.160 -30.874 15.309 1.00 72.31 C +ATOM 303 CD2 HIS A 42 -4.153 -31.601 15.883 1.00 72.31 C +ATOM 304 ND1 HIS A 42 -4.788 -29.548 15.369 1.00 72.31 N +ATOM 305 CE1 HIS A 42 -3.593 -29.482 15.982 1.00 72.31 C +ATOM 306 NE2 HIS A 42 -3.178 -30.705 16.332 1.00 72.31 N +ATOM 307 N LEU A 43 -7.231 -32.170 18.079 1.00 66.62 N +ATOM 308 CA LEU A 43 -6.975 -33.052 19.235 1.00 66.62 C +ATOM 309 C LEU A 43 -8.210 -33.293 20.120 1.00 66.62 C +ATOM 310 CB LEU A 43 -5.789 -32.499 20.052 1.00 66.62 C +ATOM 311 O LEU A 43 -8.109 -33.943 21.155 1.00 66.62 O +ATOM 312 CG LEU A 43 -4.443 -32.514 19.310 1.00 66.62 C +ATOM 313 CD1 LEU A 43 -3.364 -31.855 20.167 1.00 66.62 C +ATOM 314 CD2 LEU A 43 -3.975 -33.928 18.952 1.00 66.62 C +ATOM 315 N ARG A 44 -9.388 -32.784 19.739 1.00 61.34 N +ATOM 316 CA ARG A 44 -10.571 -32.730 20.619 1.00 61.34 C +ATOM 317 C ARG A 44 -11.404 -34.015 20.739 1.00 61.34 C +ATOM 318 CB ARG A 44 -11.435 -31.507 20.240 1.00 61.34 C +ATOM 319 O ARG A 44 -12.440 -33.961 21.389 1.00 61.34 O +ATOM 320 CG ARG A 44 -11.189 -30.351 21.216 1.00 61.34 C +ATOM 321 CD ARG A 44 -12.079 -29.153 20.873 1.00 61.34 C +ATOM 322 NE ARG A 44 -11.914 -28.072 21.862 1.00 61.34 N +ATOM 323 NH1 ARG A 44 -13.326 -26.543 20.891 1.00 61.34 N +ATOM 324 NH2 ARG A 44 -12.324 -26.047 22.820 1.00 61.34 N +ATOM 325 CZ ARG A 44 -12.517 -26.896 21.851 1.00 61.34 C +ATOM 326 N ASN A 45 -11.014 -35.134 20.117 1.00 50.69 N +ATOM 327 CA ASN A 45 -11.945 -36.257 19.915 1.00 50.69 C +ATOM 328 C ASN A 45 -11.326 -37.671 20.008 1.00 50.69 C +ATOM 329 CB ASN A 45 -12.728 -35.994 18.601 1.00 50.69 C +ATOM 330 O ASN A 45 -11.606 -38.527 19.168 1.00 50.69 O +ATOM 331 CG ASN A 45 -14.214 -36.293 18.719 1.00 50.69 C +ATOM 332 ND2 ASN A 45 -14.904 -36.455 17.616 1.00 50.69 N +ATOM 333 OD1 ASN A 45 -14.796 -36.331 19.786 1.00 50.69 O +ATOM 334 N ARG A 46 -10.452 -37.938 20.995 1.00 40.22 N +ATOM 335 CA ARG A 46 -9.873 -39.284 21.187 1.00 40.22 C +ATOM 336 C ARG A 46 -9.511 -39.616 22.642 1.00 40.22 C +ATOM 337 CB ARG A 46 -8.680 -39.463 20.219 1.00 40.22 C +ATOM 338 O ARG A 46 -8.335 -39.659 22.987 1.00 40.22 O +ATOM 339 CG ARG A 46 -8.272 -40.939 20.075 1.00 40.22 C +ATOM 340 CD ARG A 46 -7.146 -41.097 19.048 1.00 40.22 C +ATOM 341 NE ARG A 46 -6.675 -42.495 18.983 1.00 40.22 N +ATOM 342 NH1 ARG A 46 -5.043 -42.199 17.395 1.00 40.22 N +ATOM 343 NH2 ARG A 46 -5.343 -44.214 18.305 1.00 40.22 N +ATOM 344 CZ ARG A 46 -5.693 -42.960 18.231 1.00 40.22 C +ATOM 345 N GLU A 47 -10.509 -39.953 23.461 1.00 38.59 N +ATOM 346 CA GLU A 47 -10.286 -40.615 24.756 1.00 38.59 C +ATOM 347 C GLU A 47 -11.170 -41.859 24.971 1.00 38.59 C +ATOM 348 CB GLU A 47 -10.416 -39.646 25.947 1.00 38.59 C +ATOM 349 O GLU A 47 -12.356 -41.878 24.661 1.00 38.59 O +ATOM 350 CG GLU A 47 -9.180 -38.741 26.093 1.00 38.59 C +ATOM 351 CD GLU A 47 -9.087 -38.067 27.472 1.00 38.59 C +ATOM 352 OE1 GLU A 47 -7.941 -37.890 27.943 1.00 38.59 O +ATOM 353 OE2 GLU A 47 -10.151 -37.754 28.049 1.00 38.59 O +ATOM 354 N ALA A 48 -10.532 -42.882 25.550 1.00 37.50 N +ATOM 355 CA ALA A 48 -11.096 -43.928 26.406 1.00 37.50 C +ATOM 356 C ALA A 48 -12.288 -44.789 25.919 1.00 37.50 C +ATOM 357 CB ALA A 48 -11.343 -43.301 27.786 1.00 37.50 C +ATOM 358 O ALA A 48 -13.414 -44.654 26.389 1.00 37.50 O +ATOM 359 N THR A 49 -11.977 -45.875 25.201 1.00 39.81 N +ATOM 360 CA THR A 49 -12.627 -47.181 25.453 1.00 39.81 C +ATOM 361 C THR A 49 -11.565 -48.247 25.744 1.00 39.81 C +ATOM 362 CB THR A 49 -13.595 -47.628 24.343 1.00 39.81 C +ATOM 363 O THR A 49 -10.550 -48.343 25.056 1.00 39.81 O +ATOM 364 CG2 THR A 49 -14.962 -46.960 24.483 1.00 39.81 C +ATOM 365 OG1 THR A 49 -13.111 -47.302 23.066 1.00 39.81 O +ATOM 366 N LYS A 50 -11.761 -49.009 26.828 1.00 36.94 N +ATOM 367 CA LYS A 50 -10.900 -50.127 27.255 1.00 36.94 C +ATOM 368 C LYS A 50 -11.492 -51.447 26.753 1.00 36.94 C +ATOM 369 CB LYS A 50 -10.854 -50.211 28.798 1.00 36.94 C +ATOM 370 O LYS A 50 -12.694 -51.630 26.915 1.00 36.94 O +ATOM 371 CG LYS A 50 -10.108 -49.097 29.549 1.00 36.94 C +ATOM 372 CD LYS A 50 -10.297 -49.299 31.066 1.00 36.94 C +ATOM 373 CE LYS A 50 -9.472 -48.303 31.890 1.00 36.94 C +ATOM 374 NZ LYS A 50 -9.747 -48.435 33.346 1.00 36.94 N +ATOM 375 N GLY A 51 -10.654 -52.406 26.346 1.00 35.75 N +ATOM 376 CA GLY A 51 -10.992 -53.828 26.511 1.00 35.75 C +ATOM 377 C GLY A 51 -10.526 -54.818 25.434 1.00 35.75 C +ATOM 378 O GLY A 51 -11.071 -54.823 24.342 1.00 35.75 O +ATOM 379 N PHE A 52 -9.654 -55.740 25.867 1.00 36.50 N +ATOM 380 CA PHE A 52 -9.515 -57.151 25.448 1.00 36.50 C +ATOM 381 C PHE A 52 -8.782 -57.545 24.127 1.00 36.50 C +ATOM 382 CB PHE A 52 -10.840 -57.914 25.699 1.00 36.50 C +ATOM 383 O PHE A 52 -9.142 -57.119 23.039 1.00 36.50 O +ATOM 384 CG PHE A 52 -11.062 -58.319 27.157 1.00 36.50 C +ATOM 385 CD1 PHE A 52 -11.077 -59.683 27.512 1.00 36.50 C +ATOM 386 CD2 PHE A 52 -11.185 -57.352 28.176 1.00 36.50 C +ATOM 387 CE1 PHE A 52 -11.114 -60.071 28.862 1.00 36.50 C +ATOM 388 CE2 PHE A 52 -11.237 -57.738 29.528 1.00 36.50 C +ATOM 389 CZ PHE A 52 -11.180 -59.099 29.873 1.00 36.50 C +ATOM 390 N TYR A 53 -7.741 -58.382 24.333 1.00 37.44 N +ATOM 391 CA TYR A 53 -7.120 -59.520 23.590 1.00 37.44 C +ATOM 392 C TYR A 53 -7.686 -59.938 22.205 1.00 37.44 C +ATOM 393 CB TYR A 53 -7.240 -60.726 24.549 1.00 37.44 C +ATOM 394 O TYR A 53 -8.869 -59.750 21.959 1.00 37.44 O +ATOM 395 CG TYR A 53 -6.856 -60.477 26.006 1.00 37.44 C +ATOM 396 CD1 TYR A 53 -5.568 -60.785 26.481 1.00 37.44 C +ATOM 397 CD2 TYR A 53 -7.808 -59.949 26.895 1.00 37.44 C +ATOM 398 CE1 TYR A 53 -5.235 -60.536 27.830 1.00 37.44 C +ATOM 399 CE2 TYR A 53 -7.482 -59.670 28.234 1.00 37.44 C +ATOM 400 OH TYR A 53 -5.870 -59.719 30.004 1.00 37.44 O +ATOM 401 CZ TYR A 53 -6.189 -59.969 28.706 1.00 37.44 C +ATOM 402 N ASP A 54 -6.976 -60.582 21.261 1.00 38.56 N +ATOM 403 CA ASP A 54 -5.645 -61.245 21.138 1.00 38.56 C +ATOM 404 C ASP A 54 -5.205 -61.095 19.638 1.00 38.56 C +ATOM 405 CB ASP A 54 -5.800 -62.750 21.495 1.00 38.56 C +ATOM 406 O ASP A 54 -6.073 -61.009 18.775 1.00 38.56 O +ATOM 407 CG ASP A 54 -5.216 -63.170 22.853 1.00 38.56 C +ATOM 408 OD1 ASP A 54 -4.100 -62.710 23.193 1.00 38.56 O +ATOM 409 OD2 ASP A 54 -5.883 -63.954 23.561 1.00 38.56 O +ATOM 410 N LYS A 55 -3.945 -60.812 19.254 1.00 39.41 N +ATOM 411 CA LYS A 55 -2.774 -61.703 19.014 1.00 39.41 C +ATOM 412 C LYS A 55 -2.658 -62.302 17.582 1.00 39.41 C +ATOM 413 CB LYS A 55 -2.640 -62.774 20.103 1.00 39.41 C +ATOM 414 O LYS A 55 -3.653 -62.689 16.989 1.00 39.41 O +ATOM 415 CG LYS A 55 -1.190 -63.142 20.421 1.00 39.41 C +ATOM 416 CD LYS A 55 -1.172 -64.428 21.241 1.00 39.41 C +ATOM 417 CE LYS A 55 0.268 -64.804 21.570 1.00 39.41 C +ATOM 418 NZ LYS A 55 0.292 -66.148 22.182 1.00 39.41 N +ATOM 419 N ASP A 56 -1.404 -62.407 17.107 1.00 39.50 N +ATOM 420 CA ASP A 56 -0.893 -63.085 15.886 1.00 39.50 C +ATOM 421 C ASP A 56 -1.273 -62.475 14.501 1.00 39.50 C +ATOM 422 CB ASP A 56 -1.178 -64.602 15.997 1.00 39.50 C +ATOM 423 O ASP A 56 -2.362 -61.949 14.323 1.00 39.50 O +ATOM 424 CG ASP A 56 -0.625 -65.223 17.296 1.00 39.50 C +ATOM 425 OD1 ASP A 56 0.435 -64.749 17.778 1.00 39.50 O +ATOM 426 OD2 ASP A 56 -1.249 -66.157 17.847 1.00 39.50 O +ATOM 427 N SER A 57 -0.449 -62.490 13.435 1.00 38.31 N +ATOM 428 CA SER A 57 1.018 -62.646 13.260 1.00 38.31 C +ATOM 429 C SER A 57 1.418 -62.332 11.792 1.00 38.31 C +ATOM 430 CB SER A 57 1.478 -64.085 13.541 1.00 38.31 C +ATOM 431 O SER A 57 0.608 -62.608 10.918 1.00 38.31 O +ATOM 432 OG SER A 57 0.794 -65.008 12.720 1.00 38.31 O +ATOM 433 N SER A 58 2.662 -61.866 11.543 1.00 39.16 N +ATOM 434 CA SER A 58 3.367 -61.704 10.230 1.00 39.16 C +ATOM 435 C SER A 58 2.693 -60.868 9.102 1.00 39.16 C +ATOM 436 CB SER A 58 3.855 -63.061 9.686 1.00 39.16 C +ATOM 437 O SER A 58 1.484 -60.777 8.988 1.00 39.16 O +ATOM 438 OG SER A 58 2.791 -63.938 9.393 1.00 39.16 O +ATOM 439 N GLY A 59 3.395 -60.177 8.191 1.00 33.91 N +ATOM 440 CA GLY A 59 4.825 -59.864 8.079 1.00 33.91 C +ATOM 441 C GLY A 59 5.468 -60.327 6.764 1.00 33.91 C +ATOM 442 O GLY A 59 5.904 -61.468 6.714 1.00 33.91 O +ATOM 443 N TRP A 60 5.613 -59.437 5.764 1.00 36.50 N +ATOM 444 CA TRP A 60 6.753 -59.415 4.821 1.00 36.50 C +ATOM 445 C TRP A 60 6.862 -58.111 4.006 1.00 36.50 C +ATOM 446 CB TRP A 60 6.830 -60.673 3.926 1.00 36.50 C +ATOM 447 O TRP A 60 6.006 -57.234 4.087 1.00 36.50 O +ATOM 448 CG TRP A 60 7.753 -61.765 4.412 1.00 36.50 C +ATOM 449 CD1 TRP A 60 8.819 -61.632 5.244 1.00 36.50 C +ATOM 450 CD2 TRP A 60 7.679 -63.196 4.115 1.00 36.50 C +ATOM 451 CE2 TRP A 60 8.707 -63.869 4.842 1.00 36.50 C +ATOM 452 CE3 TRP A 60 6.845 -63.997 3.305 1.00 36.50 C +ATOM 453 NE1 TRP A 60 9.369 -62.868 5.510 1.00 36.50 N +ATOM 454 CH2 TRP A 60 8.043 -66.023 3.969 1.00 36.50 C +ATOM 455 CZ2 TRP A 60 8.892 -65.257 4.785 1.00 36.50 C +ATOM 456 CZ3 TRP A 60 7.027 -65.392 3.229 1.00 36.50 C +ATOM 457 N SER A 61 7.995 -57.956 3.315 1.00 32.56 N +ATOM 458 CA SER A 61 8.579 -56.700 2.816 1.00 32.56 C +ATOM 459 C SER A 61 9.025 -56.825 1.346 1.00 32.56 C +ATOM 460 CB SER A 61 9.788 -56.398 3.727 1.00 32.56 C +ATOM 461 O SER A 61 9.074 -57.933 0.821 1.00 32.56 O +ATOM 462 OG SER A 61 10.522 -55.248 3.350 1.00 32.56 O +ATOM 463 N SER A 62 9.476 -55.702 0.763 1.00 36.41 N +ATOM 464 CA SER A 62 10.487 -55.597 -0.313 1.00 36.41 C +ATOM 465 C SER A 62 10.042 -55.361 -1.775 1.00 36.41 C +ATOM 466 CB SER A 62 11.536 -56.719 -0.214 1.00 36.41 C +ATOM 467 O SER A 62 9.835 -56.295 -2.538 1.00 36.41 O +ATOM 468 OG SER A 62 12.573 -56.536 -1.153 1.00 36.41 O +ATOM 469 N SER A 63 10.198 -54.087 -2.172 1.00 36.62 N +ATOM 470 CA SER A 63 10.969 -53.610 -3.348 1.00 36.62 C +ATOM 471 C SER A 63 10.358 -53.490 -4.760 1.00 36.62 C +ATOM 472 CB SER A 63 12.328 -54.311 -3.458 1.00 36.62 C +ATOM 473 O SER A 63 10.007 -54.471 -5.396 1.00 36.62 O +ATOM 474 OG SER A 63 13.079 -54.098 -2.275 1.00 36.62 O +ATOM 475 N LYS A 64 10.453 -52.240 -5.257 1.00 38.47 N +ATOM 476 CA LYS A 64 10.924 -51.765 -6.585 1.00 38.47 C +ATOM 477 C LYS A 64 10.402 -52.402 -7.886 1.00 38.47 C +ATOM 478 CB LYS A 64 12.461 -51.833 -6.636 1.00 38.47 C +ATOM 479 O LYS A 64 10.749 -53.527 -8.204 1.00 38.47 O +ATOM 480 CG LYS A 64 13.184 -50.892 -5.666 1.00 38.47 C +ATOM 481 CD LYS A 64 14.694 -51.013 -5.905 1.00 38.47 C +ATOM 482 CE LYS A 64 15.473 -50.034 -5.025 1.00 38.47 C +ATOM 483 NZ LYS A 64 16.930 -50.174 -5.262 1.00 38.47 N +ATOM 484 N ASP A 65 9.734 -51.569 -8.692 1.00 40.47 N +ATOM 485 CA ASP A 65 10.108 -51.096 -10.054 1.00 40.47 C +ATOM 486 C ASP A 65 8.822 -50.600 -10.763 1.00 40.47 C +ATOM 487 CB ASP A 65 10.918 -52.123 -10.884 1.00 40.47 C +ATOM 488 O ASP A 65 7.772 -51.225 -10.675 1.00 40.47 O +ATOM 489 CG ASP A 65 12.425 -52.095 -10.541 1.00 40.47 C +ATOM 490 OD1 ASP A 65 12.929 -50.998 -10.180 1.00 40.47 O +ATOM 491 OD2 ASP A 65 13.100 -53.139 -10.666 1.00 40.47 O +ATOM 492 N LYS A 66 8.730 -49.311 -11.112 1.00 39.53 N +ATOM 493 CA LYS A 66 9.024 -48.685 -12.418 1.00 39.53 C +ATOM 494 C LYS A 66 8.054 -49.014 -13.574 1.00 39.53 C +ATOM 495 CB LYS A 66 10.496 -48.799 -12.859 1.00 39.53 C +ATOM 496 O LYS A 66 7.959 -50.139 -14.035 1.00 39.53 O +ATOM 497 CG LYS A 66 11.276 -47.509 -12.568 1.00 39.53 C +ATOM 498 CD LYS A 66 12.609 -47.531 -13.315 1.00 39.53 C +ATOM 499 CE LYS A 66 13.327 -46.195 -13.141 1.00 39.53 C +ATOM 500 NZ LYS A 66 14.400 -46.073 -14.150 1.00 39.53 N +ATOM 501 N ASP A 67 7.479 -47.920 -14.080 1.00 38.97 N +ATOM 502 CA ASP A 67 6.986 -47.652 -15.439 1.00 38.97 C +ATOM 503 C ASP A 67 5.641 -48.250 -15.941 1.00 38.97 C +ATOM 504 CB ASP A 67 8.160 -47.700 -16.442 1.00 38.97 C +ATOM 505 O ASP A 67 5.483 -49.430 -16.221 1.00 38.97 O +ATOM 506 CG ASP A 67 9.325 -46.783 -16.007 1.00 38.97 C +ATOM 507 OD1 ASP A 67 9.045 -45.743 -15.362 1.00 38.97 O +ATOM 508 OD2 ASP A 67 10.506 -47.119 -16.259 1.00 38.97 O +ATOM 509 N ALA A 68 4.700 -47.315 -16.153 1.00 34.88 N +ATOM 510 CA ALA A 68 3.657 -47.241 -17.189 1.00 34.88 C +ATOM 511 C ALA A 68 2.696 -48.427 -17.461 1.00 34.88 C +ATOM 512 CB ALA A 68 4.338 -46.776 -18.487 1.00 34.88 C +ATOM 513 O ALA A 68 3.002 -49.341 -18.221 1.00 34.88 O +ATOM 514 N TYR A 69 1.417 -48.245 -17.095 1.00 38.94 N +ATOM 515 CA TYR A 69 0.304 -48.643 -17.974 1.00 38.94 C +ATOM 516 C TYR A 69 -0.892 -47.682 -17.860 1.00 38.94 C +ATOM 517 CB TYR A 69 -0.097 -50.120 -17.795 1.00 38.94 C +ATOM 518 O TYR A 69 -1.044 -46.956 -16.876 1.00 38.94 O +ATOM 519 CG TYR A 69 -1.298 -50.380 -16.908 1.00 38.94 C +ATOM 520 CD1 TYR A 69 -1.127 -50.512 -15.518 1.00 38.94 C +ATOM 521 CD2 TYR A 69 -2.584 -50.497 -17.474 1.00 38.94 C +ATOM 522 CE1 TYR A 69 -2.240 -50.763 -14.692 1.00 38.94 C +ATOM 523 CE2 TYR A 69 -3.701 -50.731 -16.652 1.00 38.94 C +ATOM 524 OH TYR A 69 -4.606 -51.113 -14.467 1.00 38.94 O +ATOM 525 CZ TYR A 69 -3.529 -50.872 -15.260 1.00 38.94 C +ATOM 526 N SER A 70 -1.714 -47.647 -18.908 1.00 36.72 N +ATOM 527 CA SER A 70 -2.835 -46.728 -19.093 1.00 36.72 C +ATOM 528 C SER A 70 -4.203 -47.421 -19.017 1.00 36.72 C +ATOM 529 CB SER A 70 -2.673 -46.034 -20.455 1.00 36.72 C +ATOM 530 O SER A 70 -4.362 -48.560 -19.437 1.00 36.72 O +ATOM 531 OG SER A 70 -2.457 -46.986 -21.485 1.00 36.72 O +ATOM 532 N SER A 71 -5.215 -46.641 -18.620 1.00 33.69 N +ATOM 533 CA SER A 71 -6.644 -46.837 -18.920 1.00 33.69 C +ATOM 534 C SER A 71 -7.420 -47.968 -18.216 1.00 33.69 C +ATOM 535 CB SER A 71 -6.851 -46.912 -20.437 1.00 33.69 C +ATOM 536 O SER A 71 -7.382 -49.137 -18.589 1.00 33.69 O +ATOM 537 OG SER A 71 -8.180 -46.554 -20.758 1.00 33.69 O +ATOM 538 N PHE A 72 -8.285 -47.544 -17.293 1.00 39.28 N +ATOM 539 CA PHE A 72 -9.581 -48.149 -16.964 1.00 39.28 C +ATOM 540 C PHE A 72 -10.540 -46.990 -16.605 1.00 39.28 C +ATOM 541 CB PHE A 72 -9.425 -49.155 -15.810 1.00 39.28 C +ATOM 542 O PHE A 72 -10.085 -45.949 -16.140 1.00 39.28 O +ATOM 543 CG PHE A 72 -8.914 -48.555 -14.509 1.00 39.28 C +ATOM 544 CD1 PHE A 72 -7.530 -48.489 -14.256 1.00 39.28 C +ATOM 545 CD2 PHE A 72 -9.820 -48.028 -13.568 1.00 39.28 C +ATOM 546 CE1 PHE A 72 -7.056 -47.881 -13.080 1.00 39.28 C +ATOM 547 CE2 PHE A 72 -9.345 -47.422 -12.391 1.00 39.28 C +ATOM 548 CZ PHE A 72 -7.963 -47.344 -12.149 1.00 39.28 C +ATOM 549 N GLY A 73 -11.860 -47.045 -16.783 1.00 36.47 N +ATOM 550 CA GLY A 73 -12.721 -48.094 -17.332 1.00 36.47 C +ATOM 551 C GLY A 73 -14.187 -47.780 -16.979 1.00 36.47 C +ATOM 552 O GLY A 73 -14.568 -47.847 -15.816 1.00 36.47 O +ATOM 553 N SER A 74 -14.986 -47.398 -17.977 1.00 33.53 N +ATOM 554 CA SER A 74 -16.348 -46.828 -17.914 1.00 33.53 C +ATOM 555 C SER A 74 -17.402 -47.501 -17.011 1.00 33.53 C +ATOM 556 CB SER A 74 -16.939 -46.927 -19.329 1.00 33.53 C +ATOM 557 O SER A 74 -17.561 -48.718 -17.079 1.00 33.53 O +ATOM 558 OG SER A 74 -16.023 -46.465 -20.305 1.00 33.53 O +ATOM 559 N ARG A 75 -18.244 -46.680 -16.344 1.00 35.94 N +ATOM 560 CA ARG A 75 -19.682 -46.881 -15.976 1.00 35.94 C +ATOM 561 C ARG A 75 -20.317 -45.507 -15.647 1.00 35.94 C +ATOM 562 CB ARG A 75 -19.834 -47.745 -14.697 1.00 35.94 C +ATOM 563 O ARG A 75 -19.586 -44.655 -15.160 1.00 35.94 O +ATOM 564 CG ARG A 75 -19.321 -49.185 -14.814 1.00 35.94 C +ATOM 565 CD ARG A 75 -19.774 -50.093 -13.670 1.00 35.94 C +ATOM 566 NE ARG A 75 -19.257 -51.458 -13.886 1.00 35.94 N +ATOM 567 NH1 ARG A 75 -19.787 -52.349 -11.838 1.00 35.94 N +ATOM 568 NH2 ARG A 75 -18.798 -53.627 -13.376 1.00 35.94 N +ATOM 569 CZ ARG A 75 -19.284 -52.467 -13.035 1.00 35.94 C +ATOM 570 N SER A 76 -21.621 -45.222 -15.753 1.00 36.66 N +ATOM 571 CA SER A 76 -22.670 -45.583 -16.733 1.00 36.66 C +ATOM 572 C SER A 76 -23.842 -44.578 -16.580 1.00 36.66 C +ATOM 573 CB SER A 76 -23.230 -46.999 -16.524 1.00 36.66 C +ATOM 574 O SER A 76 -24.068 -44.098 -15.477 1.00 36.66 O +ATOM 575 OG SER A 76 -23.596 -47.549 -17.772 1.00 36.66 O +ATOM 576 N ASP A 77 -24.570 -44.292 -17.666 1.00 37.91 N +ATOM 577 CA ASP A 77 -25.966 -43.788 -17.748 1.00 37.91 C +ATOM 578 C ASP A 77 -26.494 -42.626 -16.864 1.00 37.91 C +ATOM 579 CB ASP A 77 -26.916 -44.986 -17.582 1.00 37.91 C +ATOM 580 O ASP A 77 -26.739 -42.800 -15.672 1.00 37.91 O +ATOM 581 CG ASP A 77 -26.622 -46.051 -18.627 1.00 37.91 C +ATOM 582 OD1 ASP A 77 -26.809 -45.722 -19.818 1.00 37.91 O +ATOM 583 OD2 ASP A 77 -26.129 -47.133 -18.236 1.00 37.91 O +ATOM 584 N SER A 78 -26.957 -41.530 -17.504 1.00 40.34 N +ATOM 585 CA SER A 78 -28.405 -41.170 -17.529 1.00 40.34 C +ATOM 586 C SER A 78 -28.777 -39.899 -18.333 1.00 40.34 C +ATOM 587 CB SER A 78 -29.016 -41.006 -16.127 1.00 40.34 C +ATOM 588 O SER A 78 -28.529 -38.781 -17.909 1.00 40.34 O +ATOM 589 OG SER A 78 -29.340 -42.288 -15.629 1.00 40.34 O +ATOM 590 N ARG A 79 -29.488 -40.119 -19.454 1.00 38.84 N +ATOM 591 CA ARG A 79 -30.684 -39.397 -19.980 1.00 38.84 C +ATOM 592 C ARG A 79 -30.770 -37.847 -19.964 1.00 38.84 C +ATOM 593 CB ARG A 79 -31.922 -39.940 -19.236 1.00 38.84 C +ATOM 594 O ARG A 79 -30.924 -37.239 -18.915 1.00 38.84 O +ATOM 595 CG ARG A 79 -32.140 -41.451 -19.404 1.00 38.84 C +ATOM 596 CD ARG A 79 -33.329 -41.922 -18.561 1.00 38.84 C +ATOM 597 NE ARG A 79 -33.566 -43.366 -18.743 1.00 38.84 N +ATOM 598 NH1 ARG A 79 -35.195 -43.616 -17.142 1.00 38.84 N +ATOM 599 NH2 ARG A 79 -34.548 -45.380 -18.345 1.00 38.84 N +ATOM 600 CZ ARG A 79 -34.433 -44.110 -18.078 1.00 38.84 C +ATOM 601 N GLY A 80 -30.987 -37.255 -21.151 1.00 41.19 N +ATOM 602 CA GLY A 80 -31.668 -35.950 -21.302 1.00 41.19 C +ATOM 603 C GLY A 80 -31.466 -35.252 -22.660 1.00 41.19 C +ATOM 604 O GLY A 80 -30.441 -34.618 -22.870 1.00 41.19 O +ATOM 605 N LYS A 81 -32.437 -35.337 -23.586 1.00 34.59 N +ATOM 606 CA LYS A 81 -32.447 -34.621 -24.886 1.00 34.59 C +ATOM 607 C LYS A 81 -33.529 -33.533 -24.901 1.00 34.59 C +ATOM 608 CB LYS A 81 -32.746 -35.601 -26.049 1.00 34.59 C +ATOM 609 O LYS A 81 -34.655 -33.819 -24.505 1.00 34.59 O +ATOM 610 CG LYS A 81 -31.536 -36.022 -26.898 1.00 34.59 C +ATOM 611 CD LYS A 81 -32.012 -36.913 -28.062 1.00 34.59 C +ATOM 612 CE LYS A 81 -30.859 -37.288 -29.001 1.00 34.59 C +ATOM 613 NZ LYS A 81 -31.320 -38.146 -30.124 1.00 34.59 N +ATOM 614 N SER A 82 -33.250 -32.381 -25.510 1.00 43.00 N +ATOM 615 CA SER A 82 -34.263 -31.517 -26.144 1.00 43.00 C +ATOM 616 C SER A 82 -33.638 -30.710 -27.295 1.00 43.00 C +ATOM 617 CB SER A 82 -34.966 -30.610 -25.123 1.00 43.00 C +ATOM 618 O SER A 82 -32.430 -30.475 -27.305 1.00 43.00 O +ATOM 619 OG SER A 82 -34.050 -29.735 -24.504 1.00 43.00 O +ATOM 620 N SER A 83 -34.434 -30.370 -28.318 1.00 35.50 N +ATOM 621 CA SER A 83 -33.943 -29.778 -29.575 1.00 35.50 C +ATOM 622 C SER A 83 -35.038 -29.038 -30.367 1.00 35.50 C +ATOM 623 CB SER A 83 -33.361 -30.897 -30.461 1.00 35.50 C +ATOM 624 O SER A 83 -35.911 -29.702 -30.918 1.00 35.50 O +ATOM 625 OG SER A 83 -34.313 -31.927 -30.690 1.00 35.50 O +ATOM 626 N PHE A 84 -34.942 -27.703 -30.460 1.00 45.25 N +ATOM 627 CA PHE A 84 -35.619 -26.742 -31.372 1.00 45.25 C +ATOM 628 C PHE A 84 -34.783 -25.430 -31.326 1.00 45.25 C +ATOM 629 CB PHE A 84 -37.051 -26.437 -30.888 1.00 45.25 C +ATOM 630 O PHE A 84 -34.099 -25.232 -30.325 1.00 45.25 O +ATOM 631 CG PHE A 84 -38.014 -27.607 -30.788 1.00 45.25 C +ATOM 632 CD1 PHE A 84 -38.591 -28.152 -31.951 1.00 45.25 C +ATOM 633 CD2 PHE A 84 -38.350 -28.143 -29.528 1.00 45.25 C +ATOM 634 CE1 PHE A 84 -39.483 -29.237 -31.857 1.00 45.25 C +ATOM 635 CE2 PHE A 84 -39.241 -29.228 -29.434 1.00 45.25 C +ATOM 636 CZ PHE A 84 -39.805 -29.777 -30.599 1.00 45.25 C +ATOM 637 N PHE A 85 -34.714 -24.480 -32.270 1.00 40.22 N +ATOM 638 CA PHE A 85 -35.259 -24.224 -33.627 1.00 40.22 C +ATOM 639 C PHE A 85 -34.046 -23.911 -34.559 1.00 40.22 C +ATOM 640 CB PHE A 85 -36.198 -23.006 -33.517 1.00 40.22 C +ATOM 641 O PHE A 85 -32.967 -23.637 -34.042 1.00 40.22 O +ATOM 642 CG PHE A 85 -37.482 -23.262 -32.747 1.00 40.22 C +ATOM 643 CD1 PHE A 85 -38.587 -23.858 -33.387 1.00 40.22 C +ATOM 644 CD2 PHE A 85 -37.569 -22.924 -31.382 1.00 40.22 C +ATOM 645 CE1 PHE A 85 -39.766 -24.121 -32.665 1.00 40.22 C +ATOM 646 CE2 PHE A 85 -38.747 -23.189 -30.660 1.00 40.22 C +ATOM 647 CZ PHE A 85 -39.845 -23.789 -31.301 1.00 40.22 C +ATOM 648 N SER A 86 -34.018 -24.009 -35.895 1.00 36.31 N +ATOM 649 CA SER A 86 -34.951 -23.751 -37.019 1.00 36.31 C +ATOM 650 C SER A 86 -34.963 -22.307 -37.578 1.00 36.31 C +ATOM 651 CB SER A 86 -36.353 -24.358 -36.890 1.00 36.31 C +ATOM 652 O SER A 86 -35.703 -21.451 -37.111 1.00 36.31 O +ATOM 653 OG SER A 86 -36.267 -25.750 -36.658 1.00 36.31 O +ATOM 654 N ASP A 87 -34.174 -22.141 -38.652 1.00 38.25 N +ATOM 655 CA ASP A 87 -34.358 -21.330 -39.880 1.00 38.25 C +ATOM 656 C ASP A 87 -34.406 -19.782 -39.933 1.00 38.25 C +ATOM 657 CB ASP A 87 -35.493 -21.921 -40.732 1.00 38.25 C +ATOM 658 O ASP A 87 -35.292 -19.132 -39.382 1.00 38.25 O +ATOM 659 CG ASP A 87 -34.999 -23.141 -41.501 1.00 38.25 C +ATOM 660 OD1 ASP A 87 -34.049 -22.945 -42.293 1.00 38.25 O +ATOM 661 OD2 ASP A 87 -35.525 -24.243 -41.244 1.00 38.25 O +ATOM 662 N ARG A 88 -33.498 -19.241 -40.782 1.00 42.22 N +ATOM 663 CA ARG A 88 -33.551 -18.070 -41.713 1.00 42.22 C +ATOM 664 C ARG A 88 -32.103 -17.730 -42.159 1.00 42.22 C +ATOM 665 CB ARG A 88 -34.137 -16.813 -41.028 1.00 42.22 C +ATOM 666 O ARG A 88 -31.239 -17.645 -41.300 1.00 42.22 O +ATOM 667 CG ARG A 88 -35.661 -16.643 -41.191 1.00 42.22 C +ATOM 668 CD ARG A 88 -36.164 -15.528 -40.262 1.00 42.22 C +ATOM 669 NE ARG A 88 -37.633 -15.550 -40.111 1.00 42.22 N +ATOM 670 NH1 ARG A 88 -37.943 -13.343 -39.540 1.00 42.22 N +ATOM 671 NH2 ARG A 88 -39.679 -14.741 -39.516 1.00 42.22 N +ATOM 672 CZ ARG A 88 -38.407 -14.548 -39.728 1.00 42.22 C +ATOM 673 N GLY A 89 -31.724 -17.465 -43.418 1.00 38.22 N +ATOM 674 CA GLY A 89 -32.406 -17.593 -44.714 1.00 38.22 C +ATOM 675 C GLY A 89 -31.708 -16.805 -45.860 1.00 38.22 C +ATOM 676 O GLY A 89 -31.648 -15.587 -45.798 1.00 38.22 O +ATOM 677 N SER A 90 -31.287 -17.504 -46.931 1.00 40.47 N +ATOM 678 CA SER A 90 -31.133 -17.056 -48.347 1.00 40.47 C +ATOM 679 C SER A 90 -30.123 -15.965 -48.817 1.00 40.47 C +ATOM 680 CB SER A 90 -32.526 -16.705 -48.889 1.00 40.47 C +ATOM 681 O SER A 90 -30.357 -14.772 -48.647 1.00 40.47 O +ATOM 682 OG SER A 90 -32.463 -16.327 -50.249 1.00 40.47 O +ATOM 683 N GLY A 91 -29.198 -16.378 -49.713 1.00 41.66 N +ATOM 684 CA GLY A 91 -28.900 -15.699 -51.005 1.00 41.66 C +ATOM 685 C GLY A 91 -27.414 -15.406 -51.339 1.00 41.66 C +ATOM 686 O GLY A 91 -26.644 -15.133 -50.432 1.00 41.66 O +ATOM 687 N SER A 92 -26.926 -15.373 -52.598 1.00 41.06 N +ATOM 688 CA SER A 92 -27.350 -15.984 -53.887 1.00 41.06 C +ATOM 689 C SER A 92 -26.260 -15.773 -54.986 1.00 41.06 C +ATOM 690 CB SER A 92 -28.649 -15.346 -54.403 1.00 41.06 C +ATOM 691 O SER A 92 -25.560 -14.768 -54.918 1.00 41.06 O +ATOM 692 OG SER A 92 -29.244 -16.196 -55.366 1.00 41.06 O +ATOM 693 N ARG A 93 -26.218 -16.617 -56.048 1.00 41.53 N +ATOM 694 CA ARG A 93 -25.382 -16.539 -57.302 1.00 41.53 C +ATOM 695 C ARG A 93 -23.871 -16.873 -57.156 1.00 41.53 C +ATOM 696 CB ARG A 93 -25.539 -15.154 -57.977 1.00 41.53 C +ATOM 697 O ARG A 93 -23.265 -16.497 -56.168 1.00 41.53 O +ATOM 698 CG ARG A 93 -26.990 -14.681 -58.185 1.00 41.53 C +ATOM 699 CD ARG A 93 -27.040 -13.203 -58.595 1.00 41.53 C +ATOM 700 NE ARG A 93 -28.433 -12.752 -58.798 1.00 41.53 N +ATOM 701 NH1 ARG A 93 -28.002 -10.520 -59.142 1.00 41.53 N +ATOM 702 NH2 ARG A 93 -30.101 -11.263 -59.239 1.00 41.53 N +ATOM 703 CZ ARG A 93 -28.836 -11.518 -59.056 1.00 41.53 C +ATOM 704 N GLY A 94 -23.173 -17.526 -58.103 1.00 38.75 N +ATOM 705 CA GLY A 94 -23.544 -18.202 -59.368 1.00 38.75 C +ATOM 706 C GLY A 94 -22.294 -18.776 -60.096 1.00 38.75 C +ATOM 707 O GLY A 94 -21.212 -18.218 -59.946 1.00 38.75 O +ATOM 708 N ARG A 95 -22.414 -19.888 -60.851 1.00 37.53 N +ATOM 709 CA ARG A 95 -21.312 -20.557 -61.604 1.00 37.53 C +ATOM 710 C ARG A 95 -21.304 -20.198 -63.101 1.00 37.53 C +ATOM 711 CB ARG A 95 -21.461 -22.094 -61.560 1.00 37.53 C +ATOM 712 O ARG A 95 -22.367 -19.914 -63.646 1.00 37.53 O +ATOM 713 CG ARG A 95 -21.094 -22.831 -60.266 1.00 37.53 C +ATOM 714 CD ARG A 95 -21.134 -24.334 -60.600 1.00 37.53 C +ATOM 715 NE ARG A 95 -20.833 -25.207 -59.450 1.00 37.53 N +ATOM 716 NH1 ARG A 95 -20.566 -27.129 -60.688 1.00 37.53 N +ATOM 717 NH2 ARG A 95 -20.379 -27.214 -58.464 1.00 37.53 N +ATOM 718 CZ ARG A 95 -20.597 -26.507 -59.540 1.00 37.53 C +ATOM 719 N PHE A 96 -20.161 -20.391 -63.772 1.00 47.53 N +ATOM 720 CA PHE A 96 -20.110 -20.829 -65.179 1.00 47.53 C +ATOM 721 C PHE A 96 -18.847 -21.672 -65.460 1.00 47.53 C +ATOM 722 CB PHE A 96 -20.233 -19.641 -66.145 1.00 47.53 C +ATOM 723 O PHE A 96 -17.830 -21.473 -64.798 1.00 47.53 O +ATOM 724 CG PHE A 96 -21.143 -19.959 -67.316 1.00 47.53 C +ATOM 725 CD1 PHE A 96 -20.618 -20.480 -68.514 1.00 47.53 C +ATOM 726 CD2 PHE A 96 -22.535 -19.794 -67.176 1.00 47.53 C +ATOM 727 CE1 PHE A 96 -21.483 -20.819 -69.571 1.00 47.53 C +ATOM 728 CE2 PHE A 96 -23.399 -20.132 -68.233 1.00 47.53 C +ATOM 729 CZ PHE A 96 -22.872 -20.644 -69.432 1.00 47.53 C +ATOM 730 N ASP A 97 -18.930 -22.609 -66.410 1.00 43.81 N +ATOM 731 CA ASP A 97 -17.939 -23.667 -66.684 1.00 43.81 C +ATOM 732 C ASP A 97 -17.334 -23.580 -68.111 1.00 43.81 C +ATOM 733 CB ASP A 97 -18.610 -25.050 -66.485 1.00 43.81 C +ATOM 734 O ASP A 97 -17.996 -23.115 -69.034 1.00 43.81 O +ATOM 735 CG ASP A 97 -18.669 -25.525 -65.024 1.00 43.81 C +ATOM 736 OD1 ASP A 97 -17.593 -25.862 -64.486 1.00 43.81 O +ATOM 737 OD2 ASP A 97 -19.780 -25.579 -64.435 1.00 43.81 O +ATOM 738 N ASP A 98 -16.105 -24.107 -68.249 1.00 41.81 N +ATOM 739 CA ASP A 98 -15.498 -24.826 -69.401 1.00 41.81 C +ATOM 740 C ASP A 98 -15.449 -24.207 -70.834 1.00 41.81 C +ATOM 741 CB ASP A 98 -16.109 -26.246 -69.417 1.00 41.81 C +ATOM 742 O ASP A 98 -16.480 -23.939 -71.448 1.00 41.81 O +ATOM 743 CG ASP A 98 -15.355 -27.233 -70.315 1.00 41.81 C +ATOM 744 OD1 ASP A 98 -14.104 -27.174 -70.311 1.00 41.81 O +ATOM 745 OD2 ASP A 98 -16.028 -28.012 -71.038 1.00 41.81 O +ATOM 746 N ARG A 99 -14.233 -24.121 -71.432 1.00 41.69 N +ATOM 747 CA ARG A 99 -13.810 -24.853 -72.671 1.00 41.69 C +ATOM 748 C ARG A 99 -12.493 -24.386 -73.334 1.00 41.69 C +ATOM 749 CB ARG A 99 -14.894 -24.933 -73.769 1.00 41.69 C +ATOM 750 O ARG A 99 -12.427 -23.364 -74.002 1.00 41.69 O +ATOM 751 CG ARG A 99 -15.757 -26.173 -73.516 1.00 41.69 C +ATOM 752 CD ARG A 99 -16.862 -26.397 -74.532 1.00 41.69 C +ATOM 753 NE ARG A 99 -17.682 -27.524 -74.064 1.00 41.69 N +ATOM 754 NH1 ARG A 99 -19.145 -27.600 -75.823 1.00 41.69 N +ATOM 755 NH2 ARG A 99 -19.406 -28.993 -74.090 1.00 41.69 N +ATOM 756 CZ ARG A 99 -18.737 -28.034 -74.661 1.00 41.69 C +ATOM 757 N GLY A 100 -11.490 -25.259 -73.211 1.00 39.50 N +ATOM 758 CA GLY A 100 -10.409 -25.655 -74.140 1.00 39.50 C +ATOM 759 C GLY A 100 -9.919 -24.844 -75.368 1.00 39.50 C +ATOM 760 O GLY A 100 -10.669 -24.584 -76.303 1.00 39.50 O +ATOM 761 N ARG A 101 -8.570 -24.827 -75.466 1.00 41.50 N +ATOM 762 CA ARG A 101 -7.737 -25.286 -76.618 1.00 41.50 C +ATOM 763 C ARG A 101 -7.405 -24.309 -77.768 1.00 41.50 C +ATOM 764 CB ARG A 101 -8.355 -26.596 -77.163 1.00 41.50 C +ATOM 765 O ARG A 101 -8.225 -24.105 -78.653 1.00 41.50 O +ATOM 766 CG ARG A 101 -7.438 -27.437 -78.062 1.00 41.50 C +ATOM 767 CD ARG A 101 -8.235 -28.638 -78.591 1.00 41.50 C +ATOM 768 NE ARG A 101 -7.356 -29.705 -79.104 1.00 41.50 N +ATOM 769 NH1 ARG A 101 -9.003 -31.154 -79.786 1.00 41.50 N +ATOM 770 NH2 ARG A 101 -6.861 -31.773 -79.909 1.00 41.50 N +ATOM 771 CZ ARG A 101 -7.744 -30.868 -79.596 1.00 41.50 C +ATOM 772 N SER A 102 -6.129 -23.904 -77.871 1.00 43.22 N +ATOM 773 CA SER A 102 -5.191 -24.359 -78.932 1.00 43.22 C +ATOM 774 C SER A 102 -3.787 -23.741 -78.774 1.00 43.22 C +ATOM 775 CB SER A 102 -5.666 -24.050 -80.360 1.00 43.22 C +ATOM 776 O SER A 102 -3.655 -22.600 -78.342 1.00 43.22 O +ATOM 777 OG SER A 102 -4.916 -24.821 -81.283 1.00 43.22 O +ATOM 778 N ASP A 103 -2.758 -24.500 -79.149 1.00 40.22 N +ATOM 779 CA ASP A 103 -1.325 -24.174 -79.059 1.00 40.22 C +ATOM 780 C ASP A 103 -0.822 -23.248 -80.186 1.00 40.22 C +ATOM 781 CB ASP A 103 -0.544 -25.501 -79.143 1.00 40.22 C +ATOM 782 O ASP A 103 -1.417 -23.242 -81.263 1.00 40.22 O +ATOM 783 CG ASP A 103 -1.169 -26.606 -78.285 1.00 40.22 C +ATOM 784 OD1 ASP A 103 -0.812 -26.687 -77.093 1.00 40.22 O +ATOM 785 OD2 ASP A 103 -2.080 -27.300 -78.806 1.00 40.22 O +ATOM 786 N TYR A 104 0.311 -22.553 -79.972 1.00 43.84 N +ATOM 787 CA TYR A 104 1.356 -22.306 -80.991 1.00 43.84 C +ATOM 788 C TYR A 104 2.664 -21.766 -80.362 1.00 43.84 C +ATOM 789 CB TYR A 104 0.885 -21.368 -82.128 1.00 43.84 C +ATOM 790 O TYR A 104 2.668 -20.710 -79.732 1.00 43.84 O +ATOM 791 CG TYR A 104 0.799 -22.075 -83.475 1.00 43.84 C +ATOM 792 CD1 TYR A 104 1.978 -22.410 -84.171 1.00 43.84 C +ATOM 793 CD2 TYR A 104 -0.452 -22.452 -84.004 1.00 43.84 C +ATOM 794 CE1 TYR A 104 1.907 -23.150 -85.369 1.00 43.84 C +ATOM 795 CE2 TYR A 104 -0.528 -23.201 -85.193 1.00 43.84 C +ATOM 796 OH TYR A 104 0.578 -24.301 -87.010 1.00 43.84 O +ATOM 797 CZ TYR A 104 0.652 -23.560 -85.872 1.00 43.84 C +ATOM 798 N ASP A 105 3.780 -22.476 -80.569 1.00 39.66 N +ATOM 799 CA ASP A 105 5.142 -22.070 -80.175 1.00 39.66 C +ATOM 800 C ASP A 105 5.779 -21.060 -81.154 1.00 39.66 C +ATOM 801 CB ASP A 105 6.052 -23.311 -80.102 1.00 39.66 C +ATOM 802 O ASP A 105 5.483 -21.066 -82.351 1.00 39.66 O +ATOM 803 CG ASP A 105 5.922 -24.080 -78.790 1.00 39.66 C +ATOM 804 OD1 ASP A 105 6.206 -23.453 -77.746 1.00 39.66 O +ATOM 805 OD2 ASP A 105 5.603 -25.286 -78.860 1.00 39.66 O +ATOM 806 N GLY A 106 6.733 -20.245 -80.676 1.00 40.59 N +ATOM 807 CA GLY A 106 7.496 -19.318 -81.528 1.00 40.59 C +ATOM 808 C GLY A 106 8.671 -18.606 -80.841 1.00 40.59 C +ATOM 809 O GLY A 106 8.509 -17.539 -80.255 1.00 40.59 O +ATOM 810 N ILE A 107 9.880 -19.167 -80.953 1.00 40.03 N +ATOM 811 CA ILE A 107 11.147 -18.576 -80.470 1.00 40.03 C +ATOM 812 C ILE A 107 11.672 -17.519 -81.466 1.00 40.03 C +ATOM 813 CB ILE A 107 12.176 -19.718 -80.244 1.00 40.03 C +ATOM 814 O ILE A 107 11.730 -17.796 -82.662 1.00 40.03 O +ATOM 815 CG1 ILE A 107 11.759 -20.577 -79.025 1.00 40.03 C +ATOM 816 CG2 ILE A 107 13.619 -19.201 -80.070 1.00 40.03 C +ATOM 817 CD1 ILE A 107 12.532 -21.896 -78.884 1.00 40.03 C +ATOM 818 N GLY A 108 12.141 -16.347 -80.997 1.00 39.94 N +ATOM 819 CA GLY A 108 12.686 -15.308 -81.894 1.00 39.94 C +ATOM 820 C GLY A 108 13.467 -14.143 -81.253 1.00 39.94 C +ATOM 821 O GLY A 108 12.891 -13.134 -80.875 1.00 39.94 O +ATOM 822 N SER A 109 14.794 -14.289 -81.197 1.00 41.56 N +ATOM 823 CA SER A 109 15.880 -13.280 -81.232 1.00 41.56 C +ATOM 824 C SER A 109 15.682 -11.791 -80.852 1.00 41.56 C +ATOM 825 CB SER A 109 16.485 -13.301 -82.636 1.00 41.56 C +ATOM 826 O SER A 109 15.056 -11.015 -81.563 1.00 41.56 O +ATOM 827 OG SER A 109 17.066 -14.574 -82.859 1.00 41.56 O +ATOM 828 N ARG A 110 16.474 -11.385 -79.843 1.00 40.75 N +ATOM 829 CA ARG A 110 17.395 -10.215 -79.772 1.00 40.75 C +ATOM 830 C ARG A 110 17.220 -9.044 -80.765 1.00 40.75 C +ATOM 831 CB ARG A 110 18.842 -10.717 -79.970 1.00 40.75 C +ATOM 832 O ARG A 110 17.387 -9.216 -81.969 1.00 40.75 O +ATOM 833 CG ARG A 110 19.368 -11.641 -78.865 1.00 40.75 C +ATOM 834 CD ARG A 110 20.802 -12.075 -79.198 1.00 40.75 C +ATOM 835 NE ARG A 110 21.391 -12.882 -78.112 1.00 40.75 N +ATOM 836 NH1 ARG A 110 23.280 -13.577 -79.226 1.00 40.75 N +ATOM 837 NH2 ARG A 110 22.956 -14.195 -77.108 1.00 40.75 N +ATOM 838 CZ ARG A 110 22.535 -13.545 -78.155 1.00 40.75 C +ATOM 839 N GLY A 111 17.192 -7.823 -80.218 1.00 40.91 N +ATOM 840 CA GLY A 111 17.484 -6.587 -80.956 1.00 40.91 C +ATOM 841 C GLY A 111 17.675 -5.367 -80.048 1.00 40.91 C +ATOM 842 O GLY A 111 16.707 -4.685 -79.729 1.00 40.91 O +ATOM 843 N ASP A 112 18.918 -5.069 -79.656 1.00 41.16 N +ATOM 844 CA ASP A 112 19.269 -3.798 -79.006 1.00 41.16 C +ATOM 845 C ASP A 112 19.059 -2.611 -79.956 1.00 41.16 C +ATOM 846 CB ASP A 112 20.751 -3.791 -78.584 1.00 41.16 C +ATOM 847 O ASP A 112 19.558 -2.622 -81.084 1.00 41.16 O +ATOM 848 CG ASP A 112 20.994 -4.491 -77.253 1.00 41.16 C +ATOM 849 OD1 ASP A 112 20.466 -3.972 -76.246 1.00 41.16 O +ATOM 850 OD2 ASP A 112 21.698 -5.525 -77.267 1.00 41.16 O +ATOM 851 N ARG A 113 18.429 -1.535 -79.468 1.00 41.88 N +ATOM 852 CA ARG A 113 18.661 -0.172 -79.974 1.00 41.88 C +ATOM 853 C ARG A 113 18.423 0.871 -78.887 1.00 41.88 C +ATOM 854 CB ARG A 113 17.841 0.123 -81.248 1.00 41.88 C +ATOM 855 O ARG A 113 17.302 1.101 -78.444 1.00 41.88 O +ATOM 856 CG ARG A 113 18.784 0.223 -82.457 1.00 41.88 C +ATOM 857 CD ARG A 113 18.033 0.425 -83.773 1.00 41.88 C +ATOM 858 NE ARG A 113 18.897 0.052 -84.911 1.00 41.88 N +ATOM 859 NH1 ARG A 113 17.912 1.337 -86.538 1.00 41.88 N +ATOM 860 NH2 ARG A 113 19.591 -0.032 -87.074 1.00 41.88 N +ATOM 861 CZ ARG A 113 18.796 0.455 -86.163 1.00 41.88 C +ATOM 862 N SER A 114 19.509 1.520 -78.491 1.00 40.22 N +ATOM 863 CA SER A 114 19.522 2.678 -77.607 1.00 40.22 C +ATOM 864 C SER A 114 18.829 3.885 -78.253 1.00 40.22 C +ATOM 865 CB SER A 114 20.980 3.010 -77.258 1.00 40.22 C +ATOM 866 O SER A 114 19.119 4.254 -79.390 1.00 40.22 O +ATOM 867 OG SER A 114 21.811 2.937 -78.408 1.00 40.22 O +ATOM 868 N GLY A 115 17.942 4.536 -77.499 1.00 41.25 N +ATOM 869 CA GLY A 115 17.290 5.790 -77.878 1.00 41.25 C +ATOM 870 C GLY A 115 17.168 6.702 -76.662 1.00 41.25 C +ATOM 871 O GLY A 115 16.400 6.420 -75.747 1.00 41.25 O +ATOM 872 N PHE A 116 17.961 7.774 -76.626 1.00 39.59 N +ATOM 873 CA PHE A 116 17.960 8.751 -75.535 1.00 39.59 C +ATOM 874 C PHE A 116 16.632 9.526 -75.482 1.00 39.59 C +ATOM 875 CB PHE A 116 19.137 9.732 -75.721 1.00 39.59 C +ATOM 876 O PHE A 116 16.243 10.155 -76.463 1.00 39.59 O +ATOM 877 CG PHE A 116 20.313 9.543 -74.780 1.00 39.59 C +ATOM 878 CD1 PHE A 116 20.575 10.505 -73.785 1.00 39.59 C +ATOM 879 CD2 PHE A 116 21.182 8.444 -74.931 1.00 39.59 C +ATOM 880 CE1 PHE A 116 21.701 10.376 -72.951 1.00 39.59 C +ATOM 881 CE2 PHE A 116 22.307 8.315 -74.095 1.00 39.59 C +ATOM 882 CZ PHE A 116 22.568 9.282 -73.109 1.00 39.59 C +ATOM 883 N GLY A 117 15.993 9.565 -74.312 1.00 40.84 N +ATOM 884 CA GLY A 117 14.831 10.413 -74.037 1.00 40.84 C +ATOM 885 C GLY A 117 14.718 10.691 -72.541 1.00 40.84 C +ATOM 886 O GLY A 117 14.362 9.801 -71.773 1.00 40.84 O +ATOM 887 N LYS A 118 15.065 11.912 -72.111 1.00 39.22 N +ATOM 888 CA LYS A 118 14.957 12.331 -70.704 1.00 39.22 C +ATOM 889 C LYS A 118 13.496 12.266 -70.245 1.00 39.22 C +ATOM 890 CB LYS A 118 15.436 13.785 -70.522 1.00 39.22 C +ATOM 891 O LYS A 118 12.676 13.020 -70.754 1.00 39.22 O +ATOM 892 CG LYS A 118 16.954 14.010 -70.450 1.00 39.22 C +ATOM 893 CD LYS A 118 17.195 15.521 -70.275 1.00 39.22 C +ATOM 894 CE LYS A 118 18.647 15.872 -69.939 1.00 39.22 C +ATOM 895 NZ LYS A 118 18.792 17.336 -69.720 1.00 39.22 N +ATOM 896 N PHE A 119 13.222 11.474 -69.213 1.00 40.78 N +ATOM 897 CA PHE A 119 12.082 11.694 -68.324 1.00 40.78 C +ATOM 898 C PHE A 119 12.603 12.143 -66.962 1.00 40.78 C +ATOM 899 CB PHE A 119 11.190 10.449 -68.243 1.00 40.78 C +ATOM 900 O PHE A 119 13.427 11.467 -66.343 1.00 40.78 O +ATOM 901 CG PHE A 119 10.123 10.443 -69.318 1.00 40.78 C +ATOM 902 CD1 PHE A 119 8.879 11.055 -69.068 1.00 40.78 C +ATOM 903 CD2 PHE A 119 10.386 9.885 -70.583 1.00 40.78 C +ATOM 904 CE1 PHE A 119 7.899 11.103 -70.075 1.00 40.78 C +ATOM 905 CE2 PHE A 119 9.403 9.930 -71.589 1.00 40.78 C +ATOM 906 CZ PHE A 119 8.161 10.539 -71.336 1.00 40.78 C +ATOM 907 N GLU A 120 12.152 13.313 -66.516 1.00 39.00 N +ATOM 908 CA GLU A 120 12.485 13.838 -65.196 1.00 39.00 C +ATOM 909 C GLU A 120 11.699 13.112 -64.096 1.00 39.00 C +ATOM 910 CB GLU A 120 12.311 15.363 -65.149 1.00 39.00 C +ATOM 911 O GLU A 120 10.603 12.589 -64.301 1.00 39.00 O +ATOM 912 CG GLU A 120 13.406 16.036 -65.992 1.00 39.00 C +ATOM 913 CD GLU A 120 13.347 17.565 -65.943 1.00 39.00 C +ATOM 914 OE1 GLU A 120 14.432 18.160 -65.746 1.00 39.00 O +ATOM 915 OE2 GLU A 120 12.244 18.108 -66.157 1.00 39.00 O +ATOM 916 N ARG A 121 12.308 13.044 -62.910 1.00 36.91 N +ATOM 917 CA ARG A 121 11.798 12.301 -61.753 1.00 36.91 C +ATOM 918 C ARG A 121 10.513 12.924 -61.193 1.00 36.91 C +ATOM 919 CB ARG A 121 12.861 12.316 -60.642 1.00 36.91 C +ATOM 920 O ARG A 121 10.579 13.956 -60.532 1.00 36.91 O +ATOM 921 CG ARG A 121 14.092 11.426 -60.856 1.00 36.91 C +ATOM 922 CD ARG A 121 15.109 11.813 -59.769 1.00 36.91 C +ATOM 923 NE ARG A 121 16.103 10.761 -59.489 1.00 36.91 N +ATOM 924 NH1 ARG A 121 17.103 11.828 -57.713 1.00 36.91 N +ATOM 925 NH2 ARG A 121 17.736 9.760 -58.246 1.00 36.91 N +ATOM 926 CZ ARG A 121 16.973 10.788 -58.491 1.00 36.91 C +ATOM 927 N GLY A 122 9.396 12.206 -61.286 1.00 37.81 N +ATOM 928 CA GLY A 122 8.330 12.279 -60.281 1.00 37.81 C +ATOM 929 C GLY A 122 8.718 11.424 -59.069 1.00 37.81 C +ATOM 930 O GLY A 122 8.867 10.211 -59.195 1.00 37.81 O +ATOM 931 N GLY A 123 8.970 12.049 -57.916 1.00 35.22 N +ATOM 932 CA GLY A 123 9.572 11.388 -56.753 1.00 35.22 C +ATOM 933 C GLY A 123 8.683 10.334 -56.077 1.00 35.22 C +ATOM 934 O GLY A 123 7.550 10.607 -55.692 1.00 35.22 O +ATOM 935 N ASN A 124 9.237 9.139 -55.860 1.00 34.69 N +ATOM 936 CA ASN A 124 8.621 8.064 -55.081 1.00 34.69 C +ATOM 937 C ASN A 124 8.714 8.361 -53.568 1.00 34.69 C +ATOM 938 CB ASN A 124 9.305 6.745 -55.494 1.00 34.69 C +ATOM 939 O ASN A 124 9.612 7.858 -52.887 1.00 34.69 O +ATOM 940 CG ASN A 124 8.764 5.525 -54.764 1.00 34.69 C +ATOM 941 ND2 ASN A 124 9.609 4.775 -54.097 1.00 34.69 N +ATOM 942 OD1 ASN A 124 7.588 5.216 -54.785 1.00 34.69 O +ATOM 943 N SER A 125 7.786 9.163 -53.039 1.00 38.22 N +ATOM 944 CA SER A 125 7.655 9.468 -51.602 1.00 38.22 C +ATOM 945 C SER A 125 7.094 8.282 -50.806 1.00 38.22 C +ATOM 946 CB SER A 125 6.823 10.737 -51.377 1.00 38.22 C +ATOM 947 O SER A 125 6.023 8.355 -50.212 1.00 38.22 O +ATOM 948 OG SER A 125 7.460 11.832 -52.003 1.00 38.22 O +ATOM 949 N ARG A 126 7.829 7.162 -50.793 1.00 41.56 N +ATOM 950 CA ARG A 126 7.532 5.968 -49.978 1.00 41.56 C +ATOM 951 C ARG A 126 8.414 5.864 -48.725 1.00 41.56 C +ATOM 952 CB ARG A 126 7.509 4.711 -50.865 1.00 41.56 C +ATOM 953 O ARG A 126 8.564 4.790 -48.153 1.00 41.56 O +ATOM 954 CG ARG A 126 6.490 3.685 -50.345 1.00 41.56 C +ATOM 955 CD ARG A 126 6.403 2.478 -51.283 1.00 41.56 C +ATOM 956 NE ARG A 126 5.309 1.573 -50.883 1.00 41.56 N +ATOM 957 NH1 ARG A 126 5.613 -0.016 -52.512 1.00 41.56 N +ATOM 958 NH2 ARG A 126 3.938 -0.237 -51.054 1.00 41.56 N +ATOM 959 CZ ARG A 126 4.961 0.448 -51.482 1.00 41.56 C +ATOM 960 N TRP A 127 8.972 7.000 -48.313 1.00 36.97 N +ATOM 961 CA TRP A 127 9.613 7.224 -47.021 1.00 36.97 C +ATOM 962 C TRP A 127 8.620 7.988 -46.141 1.00 36.97 C +ATOM 963 CB TRP A 127 10.938 7.980 -47.218 1.00 36.97 C +ATOM 964 O TRP A 127 8.728 9.200 -45.984 1.00 36.97 O +ATOM 965 CG TRP A 127 11.987 7.259 -48.011 1.00 36.97 C +ATOM 966 CD1 TRP A 127 12.039 7.188 -49.361 1.00 36.97 C +ATOM 967 CD2 TRP A 127 13.162 6.535 -47.528 1.00 36.97 C +ATOM 968 CE2 TRP A 127 13.873 6.027 -48.657 1.00 36.97 C +ATOM 969 CE3 TRP A 127 13.713 6.270 -46.255 1.00 36.97 C +ATOM 970 NE1 TRP A 127 13.142 6.452 -49.746 1.00 36.97 N +ATOM 971 CH2 TRP A 127 15.578 5.041 -47.252 1.00 36.97 C +ATOM 972 CZ2 TRP A 127 15.059 5.287 -48.534 1.00 36.97 C +ATOM 973 CZ3 TRP A 127 14.907 5.534 -46.118 1.00 36.97 C +ATOM 974 N CYS A 128 7.600 7.288 -45.638 1.00 35.59 N +ATOM 975 CA CYS A 128 6.854 7.804 -44.493 1.00 35.59 C +ATOM 976 C CYS A 128 7.795 7.732 -43.285 1.00 35.59 C +ATOM 977 CB CYS A 128 5.554 7.015 -44.310 1.00 35.59 C +ATOM 978 O CYS A 128 8.529 6.748 -43.140 1.00 35.59 O +ATOM 979 SG CYS A 128 4.444 7.901 -43.181 1.00 35.59 S +ATOM 980 N ASP A 129 7.854 8.809 -42.511 1.00 37.16 N +ATOM 981 CA ASP A 129 8.932 9.028 -41.560 1.00 37.16 C +ATOM 982 C ASP A 129 8.873 8.018 -40.405 1.00 37.16 C +ATOM 983 CB ASP A 129 8.898 10.488 -41.084 1.00 37.16 C +ATOM 984 O ASP A 129 7.903 7.959 -39.653 1.00 37.16 O +ATOM 985 CG ASP A 129 10.174 10.871 -40.334 1.00 37.16 C +ATOM 986 OD1 ASP A 129 11.024 9.976 -40.106 1.00 37.16 O +ATOM 987 OD2 ASP A 129 10.323 12.053 -39.973 1.00 37.16 O +ATOM 988 N LYS A 130 9.934 7.216 -40.247 1.00 42.47 N +ATOM 989 CA LYS A 130 10.059 6.298 -39.106 1.00 42.47 C +ATOM 990 C LYS A 130 10.244 7.035 -37.778 1.00 42.47 C +ATOM 991 CB LYS A 130 11.205 5.300 -39.322 1.00 42.47 C +ATOM 992 O LYS A 130 10.058 6.410 -36.738 1.00 42.47 O +ATOM 993 CG LYS A 130 10.782 4.095 -40.171 1.00 42.47 C +ATOM 994 CD LYS A 130 11.895 3.043 -40.119 1.00 42.47 C +ATOM 995 CE LYS A 130 11.445 1.743 -40.783 1.00 42.47 C +ATOM 996 NZ LYS A 130 12.447 0.677 -40.547 1.00 42.47 N +ATOM 997 N SER A 131 10.611 8.320 -37.793 1.00 49.56 N +ATOM 998 CA SER A 131 10.756 9.114 -36.570 1.00 49.56 C +ATOM 999 C SER A 131 9.423 9.268 -35.817 1.00 49.56 C +ATOM 1000 CB SER A 131 11.412 10.469 -36.886 1.00 49.56 C +ATOM 1001 O SER A 131 9.408 9.217 -34.588 1.00 49.56 O +ATOM 1002 OG SER A 131 10.488 11.426 -37.357 1.00 49.56 O +ATOM 1003 N ASP A 132 8.296 9.319 -36.539 1.00 51.75 N +ATOM 1004 CA ASP A 132 6.957 9.487 -35.962 1.00 51.75 C +ATOM 1005 C ASP A 132 6.447 8.261 -35.186 1.00 51.75 C +ATOM 1006 CB ASP A 132 5.954 9.851 -37.078 1.00 51.75 C +ATOM 1007 O ASP A 132 5.585 8.404 -34.315 1.00 51.75 O +ATOM 1008 CG ASP A 132 5.899 11.344 -37.419 1.00 51.75 C +ATOM 1009 OD1 ASP A 132 6.300 12.162 -36.560 1.00 51.75 O +ATOM 1010 OD2 ASP A 132 5.336 11.685 -38.481 1.00 51.75 O +ATOM 1011 N GLU A 133 6.955 7.050 -35.450 1.00 57.59 N +ATOM 1012 CA GLU A 133 6.516 5.853 -34.716 1.00 57.59 C +ATOM 1013 C GLU A 133 7.062 5.798 -33.279 1.00 57.59 C +ATOM 1014 CB GLU A 133 6.847 4.549 -35.465 1.00 57.59 C +ATOM 1015 O GLU A 133 6.389 5.241 -32.404 1.00 57.59 O +ATOM 1016 CG GLU A 133 5.926 4.302 -36.674 1.00 57.59 C +ATOM 1017 CD GLU A 133 5.884 2.823 -37.113 1.00 57.59 C +ATOM 1018 OE1 GLU A 133 4.830 2.404 -37.644 1.00 57.59 O +ATOM 1019 OE2 GLU A 133 6.889 2.097 -36.919 1.00 57.59 O +ATOM 1020 N ASP A 134 8.221 6.408 -33.019 1.00 71.94 N +ATOM 1021 CA ASP A 134 8.948 6.313 -31.745 1.00 71.94 C +ATOM 1022 C ASP A 134 8.706 7.487 -30.775 1.00 71.94 C +ATOM 1023 CB ASP A 134 10.452 6.122 -32.026 1.00 71.94 C +ATOM 1024 O ASP A 134 9.035 7.358 -29.596 1.00 71.94 O +ATOM 1025 CG ASP A 134 10.936 4.662 -32.091 1.00 71.94 C +ATOM 1026 OD1 ASP A 134 10.177 3.703 -31.789 1.00 71.94 O +ATOM 1027 OD2 ASP A 134 12.156 4.501 -32.332 1.00 71.94 O +ATOM 1028 N ASP A 135 8.102 8.594 -31.218 1.00 87.06 N +ATOM 1029 CA ASP A 135 7.762 9.728 -30.346 1.00 87.06 C +ATOM 1030 C ASP A 135 6.580 9.386 -29.417 1.00 87.06 C +ATOM 1031 CB ASP A 135 7.491 10.973 -31.204 1.00 87.06 C +ATOM 1032 O ASP A 135 5.458 9.137 -29.866 1.00 87.06 O +ATOM 1033 CG ASP A 135 7.265 12.248 -30.384 1.00 87.06 C +ATOM 1034 OD1 ASP A 135 7.127 12.162 -29.140 1.00 87.06 O +ATOM 1035 OD2 ASP A 135 7.169 13.314 -31.022 1.00 87.06 O +ATOM 1036 N TRP A 136 6.830 9.346 -28.105 1.00 91.44 N +ATOM 1037 CA TRP A 136 5.828 9.014 -27.084 1.00 91.44 C +ATOM 1038 C TRP A 136 5.002 10.216 -26.611 1.00 91.44 C +ATOM 1039 CB TRP A 136 6.494 8.275 -25.913 1.00 91.44 C +ATOM 1040 O TRP A 136 3.991 10.001 -25.942 1.00 91.44 O +ATOM 1041 CG TRP A 136 6.789 6.817 -26.132 1.00 91.44 C +ATOM 1042 CD1 TRP A 136 7.061 6.226 -27.316 1.00 91.44 C +ATOM 1043 CD2 TRP A 136 6.879 5.752 -25.137 1.00 91.44 C +ATOM 1044 CE2 TRP A 136 7.134 4.518 -25.811 1.00 91.44 C +ATOM 1045 CE3 TRP A 136 6.820 5.710 -23.729 1.00 91.44 C +ATOM 1046 NE1 TRP A 136 7.254 4.872 -27.138 1.00 91.44 N +ATOM 1047 CH2 TRP A 136 7.210 3.298 -23.725 1.00 91.44 C +ATOM 1048 CZ2 TRP A 136 7.270 3.301 -25.129 1.00 91.44 C +ATOM 1049 CZ3 TRP A 136 6.997 4.501 -23.030 1.00 91.44 C +ATOM 1050 N SER A 137 5.374 11.442 -26.992 1.00 90.75 N +ATOM 1051 CA SER A 137 4.624 12.663 -26.679 1.00 90.75 C +ATOM 1052 C SER A 137 3.392 12.848 -27.573 1.00 90.75 C +ATOM 1053 CB SER A 137 5.553 13.879 -26.767 1.00 90.75 C +ATOM 1054 O SER A 137 2.394 13.423 -27.138 1.00 90.75 O +ATOM 1055 OG SER A 137 5.853 14.214 -28.107 1.00 90.75 O +ATOM 1056 N LYS A 138 3.427 12.306 -28.801 1.00 90.62 N +ATOM 1057 CA LYS A 138 2.335 12.404 -29.781 1.00 90.62 C +ATOM 1058 C LYS A 138 1.169 11.468 -29.433 1.00 90.62 C +ATOM 1059 CB LYS A 138 2.856 12.118 -31.199 1.00 90.62 C +ATOM 1060 O LYS A 138 1.386 10.249 -29.363 1.00 90.62 O +ATOM 1061 CG LYS A 138 3.779 13.242 -31.682 1.00 90.62 C +ATOM 1062 CD LYS A 138 4.323 12.983 -33.093 1.00 90.62 C +ATOM 1063 CE LYS A 138 5.315 14.100 -33.430 1.00 90.62 C +ATOM 1064 NZ LYS A 138 5.821 14.015 -34.818 1.00 90.62 N +ATOM 1065 N PRO A 139 -0.070 11.980 -29.291 1.00 92.44 N +ATOM 1066 CA PRO A 139 -1.230 11.149 -29.002 1.00 92.44 C +ATOM 1067 C PRO A 139 -1.590 10.235 -30.179 1.00 92.44 C +ATOM 1068 CB PRO A 139 -2.370 12.115 -28.676 1.00 92.44 C +ATOM 1069 O PRO A 139 -1.624 10.641 -31.341 1.00 92.44 O +ATOM 1070 CG PRO A 139 -1.999 13.371 -29.459 1.00 92.44 C +ATOM 1071 CD PRO A 139 -0.473 13.380 -29.390 1.00 92.44 C +ATOM 1072 N LEU A 140 -1.943 8.994 -29.862 1.00 94.06 N +ATOM 1073 CA LEU A 140 -2.527 8.036 -30.795 1.00 94.06 C +ATOM 1074 C LEU A 140 -3.953 8.464 -31.215 1.00 94.06 C +ATOM 1075 CB LEU A 140 -2.510 6.632 -30.154 1.00 94.06 C +ATOM 1076 O LEU A 140 -4.594 9.275 -30.528 1.00 94.06 O +ATOM 1077 CG LEU A 140 -1.113 6.084 -29.798 1.00 94.06 C +ATOM 1078 CD1 LEU A 140 -1.260 4.690 -29.189 1.00 94.06 C +ATOM 1079 CD2 LEU A 140 -0.196 5.963 -31.018 1.00 94.06 C +ATOM 1080 N PRO A 141 -4.491 7.914 -32.324 1.00 93.62 N +ATOM 1081 CA PRO A 141 -5.871 8.161 -32.734 1.00 93.62 C +ATOM 1082 C PRO A 141 -6.882 7.823 -31.620 1.00 93.62 C +ATOM 1083 CB PRO A 141 -6.095 7.301 -33.983 1.00 93.62 C +ATOM 1084 O PRO A 141 -6.698 6.823 -30.919 1.00 93.62 O +ATOM 1085 CG PRO A 141 -4.689 7.162 -34.565 1.00 93.62 C +ATOM 1086 CD PRO A 141 -3.817 7.085 -33.314 1.00 93.62 C +ATOM 1087 N PRO A 142 -7.944 8.631 -31.438 1.00 93.12 N +ATOM 1088 CA PRO A 142 -8.977 8.367 -30.439 1.00 93.12 C +ATOM 1089 C PRO A 142 -9.775 7.094 -30.763 1.00 93.12 C +ATOM 1090 CB PRO A 142 -9.859 9.620 -30.420 1.00 93.12 C +ATOM 1091 O PRO A 142 -9.890 6.676 -31.916 1.00 93.12 O +ATOM 1092 CG PRO A 142 -9.725 10.158 -31.844 1.00 93.12 C +ATOM 1093 CD PRO A 142 -8.277 9.826 -32.201 1.00 93.12 C +ATOM 1094 N SER A 143 -10.350 6.482 -29.729 1.00 93.38 N +ATOM 1095 CA SER A 143 -11.165 5.271 -29.822 1.00 93.38 C +ATOM 1096 C SER A 143 -12.410 5.424 -28.953 1.00 93.38 C +ATOM 1097 CB SER A 143 -10.332 4.056 -29.396 1.00 93.38 C +ATOM 1098 O SER A 143 -12.382 5.134 -27.760 1.00 93.38 O +ATOM 1099 OG SER A 143 -11.079 2.861 -29.547 1.00 93.38 O +ATOM 1100 N GLU A 144 -13.515 5.853 -29.568 1.00 91.00 N +ATOM 1101 CA GLU A 144 -14.781 6.196 -28.897 1.00 91.00 C +ATOM 1102 C GLU A 144 -15.256 5.129 -27.894 1.00 91.00 C +ATOM 1103 CB GLU A 144 -15.829 6.408 -30.000 1.00 91.00 C +ATOM 1104 O GLU A 144 -15.614 5.448 -26.762 1.00 91.00 O +ATOM 1105 CG GLU A 144 -17.186 6.885 -29.463 1.00 91.00 C +ATOM 1106 CD GLU A 144 -18.245 7.052 -30.563 1.00 91.00 C +ATOM 1107 OE1 GLU A 144 -19.346 7.528 -30.207 1.00 91.00 O +ATOM 1108 OE2 GLU A 144 -17.976 6.654 -31.721 1.00 91.00 O +ATOM 1109 N ARG A 145 -15.181 3.842 -28.265 1.00 92.50 N +ATOM 1110 CA ARG A 145 -15.520 2.721 -27.371 1.00 92.50 C +ATOM 1111 C ARG A 145 -14.687 2.730 -26.082 1.00 92.50 C +ATOM 1112 CB ARG A 145 -15.348 1.392 -28.130 1.00 92.50 C +ATOM 1113 O ARG A 145 -15.222 2.460 -25.012 1.00 92.50 O +ATOM 1114 CG ARG A 145 -15.594 0.178 -27.218 1.00 92.50 C +ATOM 1115 CD ARG A 145 -15.222 -1.153 -27.873 1.00 92.50 C +ATOM 1116 NE ARG A 145 -14.752 -2.083 -26.830 1.00 92.50 N +ATOM 1117 NH1 ARG A 145 -15.175 -4.082 -27.868 1.00 92.50 N +ATOM 1118 NH2 ARG A 145 -14.268 -4.039 -25.815 1.00 92.50 N +ATOM 1119 CZ ARG A 145 -14.734 -3.397 -26.848 1.00 92.50 C +ATOM 1120 N LEU A 146 -13.378 2.954 -26.195 1.00 91.12 N +ATOM 1121 CA LEU A 146 -12.461 2.939 -25.054 1.00 91.12 C +ATOM 1122 C LEU A 146 -12.611 4.215 -24.214 1.00 91.12 C +ATOM 1123 CB LEU A 146 -11.029 2.744 -25.583 1.00 91.12 C +ATOM 1124 O LEU A 146 -12.486 4.161 -22.997 1.00 91.12 O +ATOM 1125 CG LEU A 146 -9.956 2.607 -24.489 1.00 91.12 C +ATOM 1126 CD1 LEU A 146 -10.166 1.380 -23.597 1.00 91.12 C +ATOM 1127 CD2 LEU A 146 -8.577 2.465 -25.139 1.00 91.12 C +ATOM 1128 N GLU A 147 -12.937 5.336 -24.853 1.00 90.75 N +ATOM 1129 CA GLU A 147 -13.242 6.598 -24.179 1.00 90.75 C +ATOM 1130 C GLU A 147 -14.494 6.473 -23.295 1.00 90.75 C +ATOM 1131 CB GLU A 147 -13.400 7.685 -25.252 1.00 90.75 C +ATOM 1132 O GLU A 147 -14.460 6.804 -22.111 1.00 90.75 O +ATOM 1133 CG GLU A 147 -13.027 9.080 -24.744 1.00 90.75 C +ATOM 1134 CD GLU A 147 -12.871 10.045 -25.925 1.00 90.75 C +ATOM 1135 OE1 GLU A 147 -13.676 10.992 -26.020 1.00 90.75 O +ATOM 1136 OE2 GLU A 147 -11.948 9.799 -26.746 1.00 90.75 O +ATOM 1137 N GLN A 148 -15.573 5.885 -23.824 1.00 88.62 N +ATOM 1138 CA GLN A 148 -16.773 5.570 -23.040 1.00 88.62 C +ATOM 1139 C GLN A 148 -16.468 4.581 -21.899 1.00 88.62 C +ATOM 1140 CB GLN A 148 -17.871 5.026 -23.972 1.00 88.62 C +ATOM 1141 O GLN A 148 -16.911 4.784 -20.772 1.00 88.62 O +ATOM 1142 CG GLN A 148 -18.420 6.095 -24.937 1.00 88.62 C +ATOM 1143 CD GLN A 148 -19.453 5.551 -25.926 1.00 88.62 C +ATOM 1144 NE2 GLN A 148 -19.811 6.313 -26.937 1.00 88.62 N +ATOM 1145 OE1 GLN A 148 -19.958 4.443 -25.817 1.00 88.62 O +ATOM 1146 N GLU A 149 -15.659 3.543 -22.146 1.00 89.12 N +ATOM 1147 CA GLU A 149 -15.256 2.581 -21.105 1.00 89.12 C +ATOM 1148 C GLU A 149 -14.497 3.247 -19.939 1.00 89.12 C +ATOM 1149 CB GLU A 149 -14.401 1.465 -21.746 1.00 89.12 C +ATOM 1150 O GLU A 149 -14.703 2.879 -18.783 1.00 89.12 O +ATOM 1151 CG GLU A 149 -14.165 0.257 -20.822 1.00 89.12 C +ATOM 1152 CD GLU A 149 -13.126 -0.731 -21.383 1.00 89.12 C +ATOM 1153 OE1 GLU A 149 -12.182 -1.079 -20.626 1.00 89.12 O +ATOM 1154 OE2 GLU A 149 -13.240 -1.157 -22.560 1.00 89.12 O +ATOM 1155 N LEU A 150 -13.624 4.218 -20.228 1.00 89.94 N +ATOM 1156 CA LEU A 150 -12.726 4.826 -19.240 1.00 89.94 C +ATOM 1157 C LEU A 150 -13.308 6.059 -18.529 1.00 89.94 C +ATOM 1158 CB LEU A 150 -11.393 5.167 -19.932 1.00 89.94 C +ATOM 1159 O LEU A 150 -13.021 6.256 -17.348 1.00 89.94 O +ATOM 1160 CG LEU A 150 -10.552 3.950 -20.362 1.00 89.94 C +ATOM 1161 CD1 LEU A 150 -9.308 4.428 -21.113 1.00 89.94 C +ATOM 1162 CD2 LEU A 150 -10.083 3.107 -19.173 1.00 89.94 C +ATOM 1163 N PHE A 151 -14.102 6.889 -19.214 1.00 88.81 N +ATOM 1164 CA PHE A 151 -14.453 8.239 -18.741 1.00 88.81 C +ATOM 1165 C PHE A 151 -15.949 8.463 -18.448 1.00 88.81 C +ATOM 1166 CB PHE A 151 -13.895 9.284 -19.720 1.00 88.81 C +ATOM 1167 O PHE A 151 -16.329 9.547 -18.008 1.00 88.81 O +ATOM 1168 CG PHE A 151 -12.397 9.188 -19.964 1.00 88.81 C +ATOM 1169 CD1 PHE A 151 -11.478 9.663 -19.011 1.00 88.81 C +ATOM 1170 CD2 PHE A 151 -11.917 8.654 -21.171 1.00 88.81 C +ATOM 1171 CE1 PHE A 151 -10.096 9.611 -19.277 1.00 88.81 C +ATOM 1172 CE2 PHE A 151 -10.540 8.561 -21.420 1.00 88.81 C +ATOM 1173 CZ PHE A 151 -9.625 9.053 -20.476 1.00 88.81 C +ATOM 1174 N SER A 152 -16.828 7.467 -18.632 1.00 74.69 N +ATOM 1175 CA SER A 152 -18.269 7.638 -18.349 1.00 74.69 C +ATOM 1176 C SER A 152 -18.622 7.855 -16.866 1.00 74.69 C +ATOM 1177 CB SER A 152 -19.080 6.457 -18.896 1.00 74.69 C +ATOM 1178 O SER A 152 -19.713 8.345 -16.575 1.00 74.69 O +ATOM 1179 OG SER A 152 -19.188 6.545 -20.302 1.00 74.69 O +ATOM 1180 N GLY A 153 -17.737 7.514 -15.924 1.00 65.06 N +ATOM 1181 CA GLY A 153 -17.957 7.717 -14.488 1.00 65.06 C +ATOM 1182 C GLY A 153 -17.504 9.098 -14.006 1.00 65.06 C +ATOM 1183 O GLY A 153 -16.308 9.321 -13.837 1.00 65.06 O +ATOM 1184 N GLY A 154 -18.449 10.003 -13.731 1.00 54.47 N +ATOM 1185 CA GLY A 154 -18.174 11.316 -13.135 1.00 54.47 C +ATOM 1186 C GLY A 154 -18.552 11.380 -11.653 1.00 54.47 C +ATOM 1187 O GLY A 154 -19.735 11.364 -11.333 1.00 54.47 O +ATOM 1188 N ASN A 155 -17.559 11.517 -10.768 1.00 52.50 N +ATOM 1189 CA ASN A 155 -17.746 11.693 -9.320 1.00 52.50 C +ATOM 1190 C ASN A 155 -17.192 13.055 -8.855 1.00 52.50 C +ATOM 1191 CB ASN A 155 -17.100 10.513 -8.557 1.00 52.50 C +ATOM 1192 O ASN A 155 -16.123 13.130 -8.252 1.00 52.50 O +ATOM 1193 CG ASN A 155 -17.902 9.222 -8.549 1.00 52.50 C +ATOM 1194 ND2 ASN A 155 -17.299 8.140 -8.115 1.00 52.50 N +ATOM 1195 OD1 ASN A 155 -19.070 9.152 -8.886 1.00 52.50 O +ATOM 1196 N THR A 156 -17.921 14.140 -9.117 1.00 50.44 N +ATOM 1197 CA THR A 156 -17.658 15.455 -8.504 1.00 50.44 C +ATOM 1198 C THR A 156 -18.470 15.580 -7.216 1.00 50.44 C +ATOM 1199 CB THR A 156 -18.005 16.606 -9.461 1.00 50.44 C +ATOM 1200 O THR A 156 -19.699 15.643 -7.275 1.00 50.44 O +ATOM 1201 CG2 THR A 156 -17.071 16.647 -10.670 1.00 50.44 C +ATOM 1202 OG1 THR A 156 -19.321 16.456 -9.942 1.00 50.44 O +ATOM 1203 N GLY A 157 -17.812 15.581 -6.056 1.00 49.53 N +ATOM 1204 CA GLY A 157 -18.486 15.745 -4.766 1.00 49.53 C +ATOM 1205 C GLY A 157 -18.780 17.207 -4.412 1.00 49.53 C +ATOM 1206 O GLY A 157 -18.251 18.133 -5.026 1.00 49.53 O +ATOM 1207 N ILE A 158 -19.669 17.411 -3.437 1.00 50.84 N +ATOM 1208 CA ILE A 158 -20.368 18.696 -3.249 1.00 50.84 C +ATOM 1209 C ILE A 158 -19.482 19.774 -2.595 1.00 50.84 C +ATOM 1210 CB ILE A 158 -21.700 18.457 -2.489 1.00 50.84 C +ATOM 1211 O ILE A 158 -19.606 20.944 -2.940 1.00 50.84 O +ATOM 1212 CG1 ILE A 158 -22.610 17.487 -3.291 1.00 50.84 C +ATOM 1213 CG2 ILE A 158 -22.447 19.777 -2.218 1.00 50.84 C +ATOM 1214 CD1 ILE A 158 -23.870 17.028 -2.546 1.00 50.84 C +ATOM 1215 N ASN A 159 -18.567 19.406 -1.689 1.00 56.75 N +ATOM 1216 CA ASN A 159 -17.692 20.358 -0.984 1.00 56.75 C +ATOM 1217 C ASN A 159 -16.227 20.291 -1.456 1.00 56.75 C +ATOM 1218 CB ASN A 159 -17.794 20.188 0.543 1.00 56.75 C +ATOM 1219 O ASN A 159 -15.323 20.158 -0.630 1.00 56.75 O +ATOM 1220 CG ASN A 159 -19.173 20.398 1.128 1.00 56.75 C +ATOM 1221 ND2 ASN A 159 -19.779 19.369 1.667 1.00 56.75 N +ATOM 1222 OD1 ASN A 159 -19.693 21.494 1.193 1.00 56.75 O +ATOM 1223 N PHE A 160 -15.965 20.369 -2.764 1.00 62.28 N +ATOM 1224 CA PHE A 160 -14.578 20.429 -3.257 1.00 62.28 C +ATOM 1225 C PHE A 160 -13.826 21.682 -2.766 1.00 62.28 C +ATOM 1226 CB PHE A 160 -14.534 20.301 -4.788 1.00 62.28 C +ATOM 1227 O PHE A 160 -12.638 21.595 -2.477 1.00 62.28 O +ATOM 1228 CG PHE A 160 -13.958 18.979 -5.263 1.00 62.28 C +ATOM 1229 CD1 PHE A 160 -12.571 18.749 -5.177 1.00 62.28 C +ATOM 1230 CD2 PHE A 160 -14.796 17.989 -5.809 1.00 62.28 C +ATOM 1231 CE1 PHE A 160 -12.026 17.542 -5.649 1.00 62.28 C +ATOM 1232 CE2 PHE A 160 -14.246 16.788 -6.293 1.00 62.28 C +ATOM 1233 CZ PHE A 160 -12.861 16.562 -6.209 1.00 62.28 C +ATOM 1234 N GLU A 161 -14.518 22.813 -2.592 1.00 64.44 N +ATOM 1235 CA GLU A 161 -13.922 24.084 -2.140 1.00 64.44 C +ATOM 1236 C GLU A 161 -13.332 24.000 -0.721 1.00 64.44 C +ATOM 1237 CB GLU A 161 -14.985 25.198 -2.221 1.00 64.44 C +ATOM 1238 O GLU A 161 -12.287 24.582 -0.456 1.00 64.44 O +ATOM 1239 CG GLU A 161 -15.505 25.394 -3.658 1.00 64.44 C +ATOM 1240 CD GLU A 161 -16.525 26.536 -3.811 1.00 64.44 C +ATOM 1241 OE1 GLU A 161 -16.684 26.993 -4.968 1.00 64.44 O +ATOM 1242 OE2 GLU A 161 -17.169 26.907 -2.805 1.00 64.44 O +ATOM 1243 N LYS A 162 -13.915 23.186 0.173 1.00 63.62 N +ATOM 1244 CA LYS A 162 -13.399 22.992 1.544 1.00 63.62 C +ATOM 1245 C LYS A 162 -12.030 22.310 1.606 1.00 63.62 C +ATOM 1246 CB LYS A 162 -14.384 22.174 2.385 1.00 63.62 C +ATOM 1247 O LYS A 162 -11.428 22.260 2.674 1.00 63.62 O +ATOM 1248 CG LYS A 162 -15.708 22.895 2.649 1.00 63.62 C +ATOM 1249 CD LYS A 162 -16.498 22.076 3.673 1.00 63.62 C +ATOM 1250 CE LYS A 162 -17.883 22.678 3.894 1.00 63.62 C +ATOM 1251 NZ LYS A 162 -18.611 21.901 4.923 1.00 63.62 N +ATOM 1252 N TYR A 163 -11.545 21.735 0.503 1.00 67.75 N +ATOM 1253 CA TYR A 163 -10.191 21.185 0.475 1.00 67.75 C +ATOM 1254 C TYR A 163 -9.126 22.288 0.443 1.00 67.75 C +ATOM 1255 CB TYR A 163 -10.020 20.198 -0.687 1.00 67.75 C +ATOM 1256 O TYR A 163 -8.037 22.049 0.954 1.00 67.75 O +ATOM 1257 CG TYR A 163 -10.660 18.840 -0.456 1.00 67.75 C +ATOM 1258 CD1 TYR A 163 -9.906 17.790 0.102 1.00 67.75 C +ATOM 1259 CD2 TYR A 163 -12.007 18.626 -0.792 1.00 67.75 C +ATOM 1260 CE1 TYR A 163 -10.500 16.535 0.339 1.00 67.75 C +ATOM 1261 CE2 TYR A 163 -12.601 17.368 -0.586 1.00 67.75 C +ATOM 1262 OH TYR A 163 -12.420 15.108 0.239 1.00 67.75 O +ATOM 1263 CZ TYR A 163 -11.852 16.320 -0.008 1.00 67.75 C +ATOM 1264 N ASP A 164 -9.421 23.476 -0.097 1.00 69.62 N +ATOM 1265 CA ASP A 164 -8.454 24.583 -0.160 1.00 69.62 C +ATOM 1266 C ASP A 164 -8.103 25.142 1.241 1.00 69.62 C +ATOM 1267 CB ASP A 164 -8.971 25.680 -1.117 1.00 69.62 C +ATOM 1268 O ASP A 164 -7.008 25.667 1.429 1.00 69.62 O +ATOM 1269 CG ASP A 164 -8.917 25.295 -2.610 1.00 69.62 C +ATOM 1270 OD1 ASP A 164 -7.850 24.806 -3.062 1.00 69.62 O +ATOM 1271 OD2 ASP A 164 -9.905 25.537 -3.344 1.00 69.62 O +ATOM 1272 N ASP A 165 -8.971 24.950 2.246 1.00 71.31 N +ATOM 1273 CA ASP A 165 -8.734 25.339 3.649 1.00 71.31 C +ATOM 1274 C ASP A 165 -7.806 24.372 4.421 1.00 71.31 C +ATOM 1275 CB ASP A 165 -10.080 25.437 4.393 1.00 71.31 C +ATOM 1276 O ASP A 165 -7.416 24.648 5.560 1.00 71.31 O +ATOM 1277 CG ASP A 165 -11.009 26.552 3.902 1.00 71.31 C +ATOM 1278 OD1 ASP A 165 -10.511 27.674 3.657 1.00 71.31 O +ATOM 1279 OD2 ASP A 165 -12.234 26.285 3.846 1.00 71.31 O +ATOM 1280 N ILE A 166 -7.462 23.209 3.850 1.00 74.12 N +ATOM 1281 CA ILE A 166 -6.653 22.195 4.540 1.00 74.12 C +ATOM 1282 C ILE A 166 -5.186 22.657 4.581 1.00 74.12 C +ATOM 1283 CB ILE A 166 -6.797 20.802 3.884 1.00 74.12 C +ATOM 1284 O ILE A 166 -4.574 22.807 3.522 1.00 74.12 O +ATOM 1285 CG1 ILE A 166 -8.270 20.333 3.916 1.00 74.12 C +ATOM 1286 CG2 ILE A 166 -5.897 19.776 4.603 1.00 74.12 C +ATOM 1287 CD1 ILE A 166 -8.519 19.018 3.167 1.00 74.12 C +ATOM 1288 N PRO A 167 -4.564 22.818 5.768 1.00 81.62 N +ATOM 1289 CA PRO A 167 -3.178 23.267 5.854 1.00 81.62 C +ATOM 1290 C PRO A 167 -2.235 22.229 5.237 1.00 81.62 C +ATOM 1291 CB PRO A 167 -2.910 23.496 7.346 1.00 81.62 C +ATOM 1292 O PRO A 167 -2.316 21.043 5.563 1.00 81.62 O +ATOM 1293 CG PRO A 167 -3.897 22.555 8.037 1.00 81.62 C +ATOM 1294 CD PRO A 167 -5.103 22.571 7.097 1.00 81.62 C +ATOM 1295 N VAL A 168 -1.326 22.672 4.367 1.00 87.12 N +ATOM 1296 CA VAL A 168 -0.285 21.824 3.769 1.00 87.12 C +ATOM 1297 C VAL A 168 1.093 22.346 4.151 1.00 87.12 C +ATOM 1298 CB VAL A 168 -0.421 21.693 2.238 1.00 87.12 C +ATOM 1299 O VAL A 168 1.425 23.502 3.897 1.00 87.12 O +ATOM 1300 CG1 VAL A 168 0.611 20.696 1.684 1.00 87.12 C +ATOM 1301 CG2 VAL A 168 -1.806 21.178 1.833 1.00 87.12 C +ATOM 1302 N GLU A 169 1.918 21.472 4.721 1.00 88.94 N +ATOM 1303 CA GLU A 169 3.314 21.761 5.042 1.00 88.94 C +ATOM 1304 C GLU A 169 4.234 20.919 4.152 1.00 88.94 C +ATOM 1305 CB GLU A 169 3.602 21.530 6.534 1.00 88.94 C +ATOM 1306 O GLU A 169 4.182 19.689 4.174 1.00 88.94 O +ATOM 1307 CG GLU A 169 2.851 22.519 7.447 1.00 88.94 C +ATOM 1308 CD GLU A 169 3.246 22.411 8.933 1.00 88.94 C +ATOM 1309 OE1 GLU A 169 2.628 23.135 9.749 1.00 88.94 O +ATOM 1310 OE2 GLU A 169 4.183 21.645 9.261 1.00 88.94 O +ATOM 1311 N ALA A 170 5.096 21.578 3.374 1.00 91.25 N +ATOM 1312 CA ALA A 170 6.134 20.935 2.572 1.00 91.25 C +ATOM 1313 C ALA A 170 7.518 21.337 3.102 1.00 91.25 C +ATOM 1314 CB ALA A 170 5.926 21.280 1.094 1.00 91.25 C +ATOM 1315 O ALA A 170 7.837 22.521 3.207 1.00 91.25 O +ATOM 1316 N THR A 171 8.341 20.352 3.457 1.00 91.44 N +ATOM 1317 CA THR A 171 9.636 20.555 4.120 1.00 91.44 C +ATOM 1318 C THR A 171 10.736 19.728 3.459 1.00 91.44 C +ATOM 1319 CB THR A 171 9.568 20.253 5.628 1.00 91.44 C +ATOM 1320 O THR A 171 10.568 18.548 3.162 1.00 91.44 O +ATOM 1321 CG2 THR A 171 8.612 21.169 6.389 1.00 91.44 C +ATOM 1322 OG1 THR A 171 9.141 18.942 5.880 1.00 91.44 O +ATOM 1323 N GLY A 172 11.883 20.354 3.209 1.00 90.75 N +ATOM 1324 CA GLY A 172 13.031 19.725 2.558 1.00 90.75 C +ATOM 1325 C GLY A 172 13.886 20.745 1.811 1.00 90.75 C +ATOM 1326 O GLY A 172 13.484 21.895 1.621 1.00 90.75 O +ATOM 1327 N ASN A 173 15.077 20.325 1.388 1.00 91.50 N +ATOM 1328 CA ASN A 173 16.007 21.185 0.660 1.00 91.50 C +ATOM 1329 C ASN A 173 15.428 21.555 -0.711 1.00 91.50 C +ATOM 1330 CB ASN A 173 17.363 20.466 0.546 1.00 91.50 C +ATOM 1331 O ASN A 173 15.030 20.667 -1.467 1.00 91.50 O +ATOM 1332 CG ASN A 173 18.036 20.289 1.897 1.00 91.50 C +ATOM 1333 ND2 ASN A 173 18.754 19.215 2.104 1.00 91.50 N +ATOM 1334 OD1 ASN A 173 17.903 21.106 2.794 1.00 91.50 O +ATOM 1335 N ASN A 174 15.389 22.851 -1.035 1.00 92.00 N +ATOM 1336 CA ASN A 174 14.932 23.373 -2.329 1.00 92.00 C +ATOM 1337 C ASN A 174 13.576 22.787 -2.777 1.00 92.00 C +ATOM 1338 CB ASN A 174 16.057 23.195 -3.370 1.00 92.00 C +ATOM 1339 O ASN A 174 13.472 22.232 -3.869 1.00 92.00 O +ATOM 1340 CG ASN A 174 17.321 23.933 -2.980 1.00 92.00 C +ATOM 1341 ND2 ASN A 174 17.536 25.117 -3.502 1.00 92.00 N +ATOM 1342 OD1 ASN A 174 18.106 23.486 -2.163 1.00 92.00 O +ATOM 1343 N CYS A 175 12.554 22.853 -1.917 1.00 90.81 N +ATOM 1344 CA CYS A 175 11.196 22.458 -2.295 1.00 90.81 C +ATOM 1345 C CYS A 175 10.686 23.349 -3.446 1.00 90.81 C +ATOM 1346 CB CYS A 175 10.273 22.563 -1.074 1.00 90.81 C +ATOM 1347 O CYS A 175 10.705 24.574 -3.291 1.00 90.81 O +ATOM 1348 SG CYS A 175 8.644 21.874 -1.493 1.00 90.81 S +ATOM 1349 N PRO A 176 10.218 22.777 -4.572 1.00 92.81 N +ATOM 1350 CA PRO A 176 9.537 23.536 -5.617 1.00 92.81 C +ATOM 1351 C PRO A 176 8.283 24.253 -5.082 1.00 92.81 C +ATOM 1352 CB PRO A 176 9.188 22.518 -6.711 1.00 92.81 C +ATOM 1353 O PRO A 176 7.678 23.774 -4.114 1.00 92.81 O +ATOM 1354 CG PRO A 176 10.244 21.434 -6.511 1.00 92.81 C +ATOM 1355 CD PRO A 176 10.380 21.395 -4.994 1.00 92.81 C +ATOM 1356 N PRO A 177 7.878 25.385 -5.687 1.00 93.00 N +ATOM 1357 CA PRO A 177 6.606 26.028 -5.370 1.00 93.00 C +ATOM 1358 C PRO A 177 5.424 25.117 -5.735 1.00 93.00 C +ATOM 1359 CB PRO A 177 6.599 27.336 -6.167 1.00 93.00 C +ATOM 1360 O PRO A 177 5.525 24.279 -6.633 1.00 93.00 O +ATOM 1361 CG PRO A 177 7.459 27.002 -7.386 1.00 93.00 C +ATOM 1362 CD PRO A 177 8.512 26.051 -6.818 1.00 93.00 C +ATOM 1363 N HIS A 178 4.301 25.288 -5.036 1.00 92.94 N +ATOM 1364 CA HIS A 178 3.046 24.623 -5.385 1.00 92.94 C +ATOM 1365 C HIS A 178 2.400 25.273 -6.616 1.00 92.94 C +ATOM 1366 CB HIS A 178 2.096 24.615 -4.176 1.00 92.94 C +ATOM 1367 O HIS A 178 2.740 26.395 -6.992 1.00 92.94 O +ATOM 1368 CG HIS A 178 1.697 25.990 -3.701 1.00 92.94 C +ATOM 1369 CD2 HIS A 178 0.687 26.776 -4.195 1.00 92.94 C +ATOM 1370 ND1 HIS A 178 2.296 26.692 -2.680 1.00 92.94 N +ATOM 1371 CE1 HIS A 178 1.669 27.873 -2.566 1.00 92.94 C +ATOM 1372 NE2 HIS A 178 0.699 27.975 -3.476 1.00 92.94 N +ATOM 1373 N ILE A 179 1.450 24.559 -7.217 1.00 93.88 N +ATOM 1374 CA ILE A 179 0.625 25.029 -8.336 1.00 93.88 C +ATOM 1375 C ILE A 179 -0.825 25.240 -7.909 1.00 93.88 C +ATOM 1376 CB ILE A 179 0.734 24.066 -9.534 1.00 93.88 C +ATOM 1377 O ILE A 179 -1.289 24.577 -6.985 1.00 93.88 O +ATOM 1378 CG1 ILE A 179 0.178 22.651 -9.236 1.00 93.88 C +ATOM 1379 CG2 ILE A 179 2.201 24.056 -9.998 1.00 93.88 C +ATOM 1380 CD1 ILE A 179 0.221 21.670 -10.411 1.00 93.88 C +ATOM 1381 N GLU A 180 -1.556 26.111 -8.602 1.00 91.31 N +ATOM 1382 CA GLU A 180 -2.989 26.340 -8.363 1.00 91.31 C +ATOM 1383 C GLU A 180 -3.869 25.645 -9.410 1.00 91.31 C +ATOM 1384 CB GLU A 180 -3.273 27.852 -8.331 1.00 91.31 C +ATOM 1385 O GLU A 180 -4.996 25.239 -9.124 1.00 91.31 O +ATOM 1386 CG GLU A 180 -2.756 28.531 -7.051 1.00 91.31 C +ATOM 1387 CD GLU A 180 -3.393 27.966 -5.768 1.00 91.31 C +ATOM 1388 OE1 GLU A 180 -2.772 28.082 -4.696 1.00 91.31 O +ATOM 1389 OE2 GLU A 180 -4.505 27.387 -5.838 1.00 91.31 O +ATOM 1390 N SER A 181 -3.338 25.450 -10.616 1.00 92.50 N +ATOM 1391 CA SER A 181 -3.999 24.795 -11.740 1.00 92.50 C +ATOM 1392 C SER A 181 -3.093 23.743 -12.379 1.00 92.50 C +ATOM 1393 CB SER A 181 -4.390 25.862 -12.761 1.00 92.50 C +ATOM 1394 O SER A 181 -1.869 23.867 -12.399 1.00 92.50 O +ATOM 1395 OG SER A 181 -4.984 25.276 -13.905 1.00 92.50 O +ATOM 1396 N PHE A 182 -3.693 22.717 -12.990 1.00 92.44 N +ATOM 1397 CA PHE A 182 -2.958 21.746 -13.810 1.00 92.44 C +ATOM 1398 C PHE A 182 -2.225 22.402 -14.996 1.00 92.44 C +ATOM 1399 CB PHE A 182 -3.928 20.670 -14.321 1.00 92.44 C +ATOM 1400 O PHE A 182 -1.250 21.844 -15.486 1.00 92.44 O +ATOM 1401 CG PHE A 182 -4.577 19.819 -13.244 1.00 92.44 C +ATOM 1402 CD1 PHE A 182 -3.790 18.960 -12.451 1.00 92.44 C +ATOM 1403 CD2 PHE A 182 -5.973 19.852 -13.058 1.00 92.44 C +ATOM 1404 CE1 PHE A 182 -4.396 18.132 -11.488 1.00 92.44 C +ATOM 1405 CE2 PHE A 182 -6.576 19.028 -12.092 1.00 92.44 C +ATOM 1406 CZ PHE A 182 -5.790 18.165 -11.311 1.00 92.44 C +ATOM 1407 N SER A 183 -2.664 23.588 -15.435 1.00 92.19 N +ATOM 1408 CA SER A 183 -2.016 24.379 -16.491 1.00 92.19 C +ATOM 1409 C SER A 183 -0.664 24.980 -16.103 1.00 92.19 C +ATOM 1410 CB SER A 183 -2.938 25.529 -16.915 1.00 92.19 C +ATOM 1411 O SER A 183 0.078 25.396 -16.988 1.00 92.19 O +ATOM 1412 OG SER A 183 -3.331 26.324 -15.803 1.00 92.19 O +ATOM 1413 N ASP A 184 -0.347 25.059 -14.809 1.00 92.31 N +ATOM 1414 CA ASP A 184 0.844 25.768 -14.322 1.00 92.31 C +ATOM 1415 C ASP A 184 2.129 24.933 -14.498 1.00 92.31 C +ATOM 1416 CB ASP A 184 0.650 26.161 -12.849 1.00 92.31 C +ATOM 1417 O ASP A 184 3.237 25.450 -14.367 1.00 92.31 O +ATOM 1418 CG ASP A 184 -0.644 26.925 -12.530 1.00 92.31 C +ATOM 1419 OD1 ASP A 184 -1.285 27.465 -13.466 1.00 92.31 O +ATOM 1420 OD2 ASP A 184 -1.020 26.922 -11.333 1.00 92.31 O +ATOM 1421 N VAL A 185 1.986 23.639 -14.819 1.00 91.69 N +ATOM 1422 CA VAL A 185 3.083 22.719 -15.147 1.00 91.69 C +ATOM 1423 C VAL A 185 2.902 22.198 -16.565 1.00 91.69 C +ATOM 1424 CB VAL A 185 3.162 21.522 -14.178 1.00 91.69 C +ATOM 1425 O VAL A 185 1.858 21.646 -16.907 1.00 91.69 O +ATOM 1426 CG1 VAL A 185 4.414 20.673 -14.429 1.00 91.69 C +ATOM 1427 CG2 VAL A 185 3.195 21.967 -12.720 1.00 91.69 C +ATOM 1428 N GLU A 186 3.953 22.265 -17.379 1.00 92.44 N +ATOM 1429 CA GLU A 186 3.947 21.657 -18.708 1.00 92.44 C +ATOM 1430 C GLU A 186 3.922 20.121 -18.607 1.00 92.44 C +ATOM 1431 CB GLU A 186 5.138 22.174 -19.523 1.00 92.44 C +ATOM 1432 O GLU A 186 4.958 19.462 -18.463 1.00 92.44 O +ATOM 1433 CG GLU A 186 5.034 21.699 -20.981 1.00 92.44 C +ATOM 1434 CD GLU A 186 6.199 22.167 -21.863 1.00 92.44 C +ATOM 1435 OE1 GLU A 186 6.125 21.874 -23.077 1.00 92.44 O +ATOM 1436 OE2 GLU A 186 7.150 22.780 -21.329 1.00 92.44 O +ATOM 1437 N MET A 187 2.723 19.533 -18.660 1.00 91.06 N +ATOM 1438 CA MET A 187 2.535 18.079 -18.590 1.00 91.06 C +ATOM 1439 C MET A 187 2.418 17.379 -19.958 1.00 91.06 C +ATOM 1440 CB MET A 187 1.373 17.725 -17.654 1.00 91.06 C +ATOM 1441 O MET A 187 2.553 16.154 -20.014 1.00 91.06 O +ATOM 1442 CG MET A 187 1.726 18.016 -16.189 1.00 91.06 C +ATOM 1443 SD MET A 187 0.543 17.353 -14.985 1.00 91.06 S +ATOM 1444 CE MET A 187 -0.805 18.538 -15.226 1.00 91.06 C +ATOM 1445 N GLY A 188 2.245 18.138 -21.045 1.00 91.75 N +ATOM 1446 CA GLY A 188 2.118 17.639 -22.421 1.00 91.75 C +ATOM 1447 C GLY A 188 0.675 17.335 -22.856 1.00 91.75 C +ATOM 1448 O GLY A 188 -0.215 17.141 -22.027 1.00 91.75 O +ATOM 1449 N GLU A 189 0.452 17.280 -24.176 1.00 94.06 N +ATOM 1450 CA GLU A 189 -0.880 17.185 -24.807 1.00 94.06 C +ATOM 1451 C GLU A 189 -1.699 15.982 -24.309 1.00 94.06 C +ATOM 1452 CB GLU A 189 -0.698 17.120 -26.339 1.00 94.06 C +ATOM 1453 O GLU A 189 -2.861 16.135 -23.935 1.00 94.06 O +ATOM 1454 CG GLU A 189 -2.021 17.257 -27.117 1.00 94.06 C +ATOM 1455 CD GLU A 189 -1.886 17.008 -28.632 1.00 94.06 C +ATOM 1456 OE1 GLU A 189 -2.936 16.743 -29.265 1.00 94.06 O +ATOM 1457 OE2 GLU A 189 -0.746 17.015 -29.148 1.00 94.06 O +ATOM 1458 N ILE A 190 -1.079 14.795 -24.238 1.00 95.56 N +ATOM 1459 CA ILE A 190 -1.733 13.554 -23.788 1.00 95.56 C +ATOM 1460 C ILE A 190 -2.289 13.702 -22.365 1.00 95.56 C +ATOM 1461 CB ILE A 190 -0.747 12.360 -23.867 1.00 95.56 C +ATOM 1462 O ILE A 190 -3.415 13.287 -22.096 1.00 95.56 O +ATOM 1463 CG1 ILE A 190 -0.296 12.101 -25.323 1.00 95.56 C +ATOM 1464 CG2 ILE A 190 -1.374 11.074 -23.289 1.00 95.56 C +ATOM 1465 CD1 ILE A 190 0.825 11.064 -25.468 1.00 95.56 C +ATOM 1466 N ILE A 191 -1.512 14.282 -21.444 1.00 96.06 N +ATOM 1467 CA ILE A 191 -1.932 14.420 -20.045 1.00 96.06 C +ATOM 1468 C ILE A 191 -3.059 15.441 -19.922 1.00 96.06 C +ATOM 1469 CB ILE A 191 -0.737 14.758 -19.128 1.00 96.06 C +ATOM 1470 O ILE A 191 -4.074 15.128 -19.306 1.00 96.06 O +ATOM 1471 CG1 ILE A 191 0.261 13.586 -19.026 1.00 96.06 C +ATOM 1472 CG2 ILE A 191 -1.212 15.161 -17.722 1.00 96.06 C +ATOM 1473 CD1 ILE A 191 -0.253 12.334 -18.298 1.00 96.06 C +ATOM 1474 N MET A 192 -2.918 16.618 -20.536 1.00 94.69 N +ATOM 1475 CA MET A 192 -3.942 17.664 -20.450 1.00 94.69 C +ATOM 1476 C MET A 192 -5.269 17.209 -21.071 1.00 94.69 C +ATOM 1477 CB MET A 192 -3.429 18.966 -21.082 1.00 94.69 C +ATOM 1478 O MET A 192 -6.307 17.322 -20.424 1.00 94.69 O +ATOM 1479 CG MET A 192 -2.235 19.559 -20.316 1.00 94.69 C +ATOM 1480 SD MET A 192 -2.493 19.889 -18.546 1.00 94.69 S +ATOM 1481 CE MET A 192 -3.774 21.172 -18.620 1.00 94.69 C +ATOM 1482 N GLY A 193 -5.237 16.578 -22.251 1.00 94.12 N +ATOM 1483 CA GLY A 193 -6.441 16.012 -22.868 1.00 94.12 C +ATOM 1484 C GLY A 193 -7.094 14.909 -22.023 1.00 94.12 C +ATOM 1485 O GLY A 193 -8.317 14.847 -21.923 1.00 94.12 O +ATOM 1486 N ASN A 194 -6.304 14.066 -21.349 1.00 95.06 N +ATOM 1487 CA ASN A 194 -6.852 13.038 -20.459 1.00 95.06 C +ATOM 1488 C ASN A 194 -7.416 13.621 -19.143 1.00 95.06 C +ATOM 1489 CB ASN A 194 -5.799 11.934 -20.238 1.00 95.06 C +ATOM 1490 O ASN A 194 -8.396 13.081 -18.634 1.00 95.06 O +ATOM 1491 CG ASN A 194 -5.569 11.059 -21.467 1.00 95.06 C +ATOM 1492 ND2 ASN A 194 -4.460 10.358 -21.534 1.00 95.06 N +ATOM 1493 OD1 ASN A 194 -6.388 10.951 -22.367 1.00 95.06 O +ATOM 1494 N ILE A 195 -6.863 14.724 -18.616 1.00 92.69 N +ATOM 1495 CA ILE A 195 -7.408 15.473 -17.460 1.00 92.69 C +ATOM 1496 C ILE A 195 -8.771 16.101 -17.802 1.00 92.69 C +ATOM 1497 CB ILE A 195 -6.376 16.538 -16.992 1.00 92.69 C +ATOM 1498 O ILE A 195 -9.704 16.049 -16.994 1.00 92.69 O +ATOM 1499 CG1 ILE A 195 -5.190 15.854 -16.270 1.00 92.69 C +ATOM 1500 CG2 ILE A 195 -6.971 17.620 -16.068 1.00 92.69 C +ATOM 1501 CD1 ILE A 195 -4.015 16.803 -15.991 1.00 92.69 C +ATOM 1502 N GLU A 196 -8.918 16.651 -19.012 1.00 91.75 N +ATOM 1503 CA GLU A 196 -10.202 17.158 -19.511 1.00 91.75 C +ATOM 1504 C GLU A 196 -11.242 16.030 -19.627 1.00 91.75 C +ATOM 1505 CB GLU A 196 -10.011 17.860 -20.866 1.00 91.75 C +ATOM 1506 O GLU A 196 -12.376 16.184 -19.166 1.00 91.75 O +ATOM 1507 CG GLU A 196 -9.281 19.207 -20.734 1.00 91.75 C +ATOM 1508 CD GLU A 196 -9.050 19.914 -22.083 1.00 91.75 C +ATOM 1509 OE1 GLU A 196 -8.384 20.974 -22.061 1.00 91.75 O +ATOM 1510 OE2 GLU A 196 -9.552 19.420 -23.120 1.00 91.75 O +ATOM 1511 N LEU A 197 -10.846 14.860 -20.147 1.00 91.88 N +ATOM 1512 CA LEU A 197 -11.715 13.681 -20.240 1.00 91.88 C +ATOM 1513 C LEU A 197 -12.127 13.122 -18.864 1.00 91.88 C +ATOM 1514 CB LEU A 197 -11.039 12.600 -21.104 1.00 91.88 C +ATOM 1515 O LEU A 197 -13.283 12.726 -18.702 1.00 91.88 O +ATOM 1516 CG LEU A 197 -10.955 12.919 -22.610 1.00 91.88 C +ATOM 1517 CD1 LEU A 197 -10.090 11.866 -23.306 1.00 91.88 C +ATOM 1518 CD2 LEU A 197 -12.331 12.911 -23.278 1.00 91.88 C +ATOM 1519 N THR A 198 -11.254 13.139 -17.843 1.00 88.06 N +ATOM 1520 CA THR A 198 -11.649 12.803 -16.455 1.00 88.06 C +ATOM 1521 C THR A 198 -12.467 13.896 -15.765 1.00 88.06 C +ATOM 1522 CB THR A 198 -10.475 12.417 -15.534 1.00 88.06 C +ATOM 1523 O THR A 198 -12.984 13.660 -14.672 1.00 88.06 O +ATOM 1524 CG2 THR A 198 -9.711 11.188 -16.009 1.00 88.06 C +ATOM 1525 OG1 THR A 198 -9.542 13.456 -15.383 1.00 88.06 O +ATOM 1526 N ARG A 199 -12.626 15.072 -16.390 1.00 87.31 N +ATOM 1527 CA ARG A 199 -13.343 16.245 -15.857 1.00 87.31 C +ATOM 1528 C ARG A 199 -12.747 16.771 -14.547 1.00 87.31 C +ATOM 1529 CB ARG A 199 -14.858 15.975 -15.762 1.00 87.31 C +ATOM 1530 O ARG A 199 -13.469 17.287 -13.693 1.00 87.31 O +ATOM 1531 CG ARG A 199 -15.453 15.384 -17.047 1.00 87.31 C +ATOM 1532 CD ARG A 199 -16.937 15.086 -16.845 1.00 87.31 C +ATOM 1533 NE ARG A 199 -17.480 14.382 -18.017 1.00 87.31 N +ATOM 1534 NH1 ARG A 199 -19.607 14.054 -17.225 1.00 87.31 N +ATOM 1535 NH2 ARG A 199 -19.038 13.274 -19.241 1.00 87.31 N +ATOM 1536 CZ ARG A 199 -18.702 13.909 -18.155 1.00 87.31 C +ATOM 1537 N TYR A 200 -11.432 16.637 -14.371 1.00 85.50 N +ATOM 1538 CA TYR A 200 -10.734 17.173 -13.201 1.00 85.50 C +ATOM 1539 C TYR A 200 -10.484 18.672 -13.413 1.00 85.50 C +ATOM 1540 CB TYR A 200 -9.439 16.384 -12.943 1.00 85.50 C +ATOM 1541 O TYR A 200 -9.636 19.065 -14.207 1.00 85.50 O +ATOM 1542 CG TYR A 200 -9.559 14.951 -12.431 1.00 85.50 C +ATOM 1543 CD1 TYR A 200 -10.806 14.324 -12.214 1.00 85.50 C +ATOM 1544 CD2 TYR A 200 -8.376 14.232 -12.164 1.00 85.50 C +ATOM 1545 CE1 TYR A 200 -10.862 12.993 -11.762 1.00 85.50 C +ATOM 1546 CE2 TYR A 200 -8.433 12.899 -11.702 1.00 85.50 C +ATOM 1547 OH TYR A 200 -9.787 10.957 -11.138 1.00 85.50 O +ATOM 1548 CZ TYR A 200 -9.680 12.262 -11.522 1.00 85.50 C +ATOM 1549 N THR A 201 -11.248 19.519 -12.721 1.00 85.12 N +ATOM 1550 CA THR A 201 -11.249 20.978 -12.940 1.00 85.12 C +ATOM 1551 C THR A 201 -10.149 21.723 -12.187 1.00 85.12 C +ATOM 1552 CB THR A 201 -12.601 21.583 -12.538 1.00 85.12 C +ATOM 1553 O THR A 201 -9.674 22.747 -12.673 1.00 85.12 O +ATOM 1554 CG2 THR A 201 -13.739 21.119 -13.446 1.00 85.12 C +ATOM 1555 OG1 THR A 201 -12.932 21.191 -11.224 1.00 85.12 O +ATOM 1556 N ARG A 202 -9.752 21.243 -11.002 1.00 86.31 N +ATOM 1557 CA ARG A 202 -8.698 21.829 -10.160 1.00 86.31 C +ATOM 1558 C ARG A 202 -7.898 20.736 -9.439 1.00 86.31 C +ATOM 1559 CB ARG A 202 -9.294 22.789 -9.114 1.00 86.31 C +ATOM 1560 O ARG A 202 -8.486 19.707 -9.095 1.00 86.31 O +ATOM 1561 CG ARG A 202 -9.932 24.043 -9.727 1.00 86.31 C +ATOM 1562 CD ARG A 202 -10.343 25.017 -8.619 1.00 86.31 C +ATOM 1563 NE ARG A 202 -11.017 26.209 -9.168 1.00 86.31 N +ATOM 1564 NH1 ARG A 202 -11.673 27.107 -7.153 1.00 86.31 N +ATOM 1565 NH2 ARG A 202 -12.253 28.117 -9.055 1.00 86.31 N +ATOM 1566 CZ ARG A 202 -11.639 27.134 -8.457 1.00 86.31 C +ATOM 1567 N PRO A 203 -6.595 20.944 -9.186 1.00 90.50 N +ATOM 1568 CA PRO A 203 -5.792 20.050 -8.360 1.00 90.50 C +ATOM 1569 C PRO A 203 -6.231 20.082 -6.890 1.00 90.50 C +ATOM 1570 CB PRO A 203 -4.344 20.520 -8.535 1.00 90.50 C +ATOM 1571 O PRO A 203 -6.481 21.143 -6.321 1.00 90.50 O +ATOM 1572 CG PRO A 203 -4.494 22.007 -8.856 1.00 90.50 C +ATOM 1573 CD PRO A 203 -5.785 22.057 -9.663 1.00 90.50 C +ATOM 1574 N THR A 204 -6.269 18.915 -6.246 1.00 88.81 N +ATOM 1575 CA THR A 204 -6.435 18.811 -4.785 1.00 88.81 C +ATOM 1576 C THR A 204 -5.173 19.286 -4.044 1.00 88.81 C +ATOM 1577 CB THR A 204 -6.768 17.376 -4.354 1.00 88.81 C +ATOM 1578 O THR A 204 -4.095 19.292 -4.639 1.00 88.81 O +ATOM 1579 CG2 THR A 204 -8.022 16.816 -5.016 1.00 88.81 C +ATOM 1580 OG1 THR A 204 -5.710 16.493 -4.634 1.00 88.81 O +ATOM 1581 N PRO A 205 -5.222 19.605 -2.734 1.00 89.12 N +ATOM 1582 CA PRO A 205 -4.055 20.110 -1.996 1.00 89.12 C +ATOM 1583 C PRO A 205 -2.810 19.212 -2.077 1.00 89.12 C +ATOM 1584 CB PRO A 205 -4.526 20.275 -0.549 1.00 89.12 C +ATOM 1585 O PRO A 205 -1.695 19.704 -2.236 1.00 89.12 O +ATOM 1586 CG PRO A 205 -6.022 20.517 -0.691 1.00 89.12 C +ATOM 1587 CD PRO A 205 -6.417 19.694 -1.911 1.00 89.12 C +ATOM 1588 N VAL A 206 -2.981 17.880 -2.060 1.00 91.62 N +ATOM 1589 CA VAL A 206 -1.851 16.952 -2.255 1.00 91.62 C +ATOM 1590 C VAL A 206 -1.286 17.033 -3.677 1.00 91.62 C +ATOM 1591 CB VAL A 206 -2.215 15.505 -1.856 1.00 91.62 C +ATOM 1592 O VAL A 206 -0.077 16.942 -3.850 1.00 91.62 O +ATOM 1593 CG1 VAL A 206 -3.079 14.770 -2.882 1.00 91.62 C +ATOM 1594 CG2 VAL A 206 -0.961 14.662 -1.594 1.00 91.62 C +ATOM 1595 N GLN A 207 -2.128 17.247 -4.693 1.00 94.25 N +ATOM 1596 CA GLN A 207 -1.714 17.397 -6.092 1.00 94.25 C +ATOM 1597 C GLN A 207 -1.000 18.735 -6.326 1.00 94.25 C +ATOM 1598 CB GLN A 207 -2.937 17.254 -7.012 1.00 94.25 C +ATOM 1599 O GLN A 207 0.057 18.734 -6.956 1.00 94.25 O +ATOM 1600 CG GLN A 207 -3.521 15.831 -7.011 1.00 94.25 C +ATOM 1601 CD GLN A 207 -4.932 15.747 -7.579 1.00 94.25 C +ATOM 1602 NE2 GLN A 207 -5.547 14.587 -7.545 1.00 94.25 N +ATOM 1603 OE1 GLN A 207 -5.522 16.698 -8.058 1.00 94.25 O +ATOM 1604 N LYS A 208 -1.511 19.840 -5.753 1.00 94.31 N +ATOM 1605 CA LYS A 208 -0.905 21.185 -5.814 1.00 94.31 C +ATOM 1606 C LYS A 208 0.574 21.182 -5.416 1.00 94.31 C +ATOM 1607 CB LYS A 208 -1.668 22.172 -4.903 1.00 94.31 C +ATOM 1608 O LYS A 208 1.382 21.864 -6.037 1.00 94.31 O +ATOM 1609 CG LYS A 208 -3.073 22.552 -5.403 1.00 94.31 C +ATOM 1610 CD LYS A 208 -3.608 23.787 -4.657 1.00 94.31 C +ATOM 1611 CE LYS A 208 -5.062 24.105 -5.028 1.00 94.31 C +ATOM 1612 NZ LYS A 208 -5.524 25.347 -4.362 1.00 94.31 N +ATOM 1613 N HIS A 209 0.940 20.391 -4.407 1.00 94.94 N +ATOM 1614 CA HIS A 209 2.323 20.279 -3.937 1.00 94.94 C +ATOM 1615 C HIS A 209 3.089 19.098 -4.563 1.00 94.94 C +ATOM 1616 CB HIS A 209 2.317 20.220 -2.405 1.00 94.94 C +ATOM 1617 O HIS A 209 4.239 19.264 -4.960 1.00 94.94 O +ATOM 1618 CG HIS A 209 1.971 21.531 -1.746 1.00 94.94 C +ATOM 1619 CD2 HIS A 209 0.727 22.094 -1.638 1.00 94.94 C +ATOM 1620 ND1 HIS A 209 2.847 22.358 -1.078 1.00 94.94 N +ATOM 1621 CE1 HIS A 209 2.143 23.383 -0.568 1.00 94.94 C +ATOM 1622 NE2 HIS A 209 0.850 23.267 -0.893 1.00 94.94 N +ATOM 1623 N ALA A 210 2.494 17.906 -4.685 1.00 96.56 N +ATOM 1624 CA ALA A 210 3.223 16.717 -5.144 1.00 96.56 C +ATOM 1625 C ALA A 210 3.561 16.736 -6.644 1.00 96.56 C +ATOM 1626 CB ALA A 210 2.424 15.462 -4.786 1.00 96.56 C +ATOM 1627 O ALA A 210 4.635 16.268 -7.019 1.00 96.56 O +ATOM 1628 N ILE A 211 2.690 17.286 -7.501 1.00 96.88 N +ATOM 1629 CA ILE A 211 2.923 17.332 -8.955 1.00 96.88 C +ATOM 1630 C ILE A 211 4.223 18.084 -9.303 1.00 96.88 C +ATOM 1631 CB ILE A 211 1.679 17.848 -9.723 1.00 96.88 C +ATOM 1632 O ILE A 211 5.063 17.482 -9.981 1.00 96.88 O +ATOM 1633 CG1 ILE A 211 0.531 16.816 -9.586 1.00 96.88 C +ATOM 1634 CG2 ILE A 211 1.995 18.102 -11.211 1.00 96.88 C +ATOM 1635 CD1 ILE A 211 -0.796 17.241 -10.226 1.00 96.88 C +ATOM 1636 N PRO A 212 4.461 19.331 -8.836 1.00 96.56 N +ATOM 1637 CA PRO A 212 5.717 20.028 -9.117 1.00 96.56 C +ATOM 1638 C PRO A 212 6.938 19.353 -8.468 1.00 96.56 C +ATOM 1639 CB PRO A 212 5.509 21.476 -8.655 1.00 96.56 C +ATOM 1640 O PRO A 212 7.979 19.265 -9.113 1.00 96.56 O +ATOM 1641 CG PRO A 212 4.395 21.379 -7.617 1.00 96.56 C +ATOM 1642 CD PRO A 212 3.540 20.227 -8.140 1.00 96.56 C +ATOM 1643 N ILE A 213 6.821 18.783 -7.258 1.00 96.81 N +ATOM 1644 CA ILE A 213 7.922 18.028 -6.617 1.00 96.81 C +ATOM 1645 C ILE A 213 8.378 16.853 -7.499 1.00 96.81 C +ATOM 1646 CB ILE A 213 7.519 17.556 -5.197 1.00 96.81 C +ATOM 1647 O ILE A 213 9.573 16.686 -7.745 1.00 96.81 O +ATOM 1648 CG1 ILE A 213 7.334 18.765 -4.249 1.00 96.81 C +ATOM 1649 CG2 ILE A 213 8.576 16.611 -4.588 1.00 96.81 C +ATOM 1650 CD1 ILE A 213 6.587 18.422 -2.955 1.00 96.81 C +ATOM 1651 N ILE A 214 7.433 16.058 -8.011 1.00 96.88 N +ATOM 1652 CA ILE A 214 7.740 14.883 -8.838 1.00 96.88 C +ATOM 1653 C ILE A 214 8.215 15.304 -10.239 1.00 96.88 C +ATOM 1654 CB ILE A 214 6.525 13.927 -8.881 1.00 96.88 C +ATOM 1655 O ILE A 214 9.089 14.645 -10.808 1.00 96.88 O +ATOM 1656 CG1 ILE A 214 6.183 13.410 -7.461 1.00 96.88 C +ATOM 1657 CG2 ILE A 214 6.799 12.722 -9.808 1.00 96.88 C +ATOM 1658 CD1 ILE A 214 4.807 12.739 -7.368 1.00 96.88 C +ATOM 1659 N LYS A 215 7.685 16.404 -10.801 1.00 95.12 N +ATOM 1660 CA LYS A 215 8.142 16.969 -12.085 1.00 95.12 C +ATOM 1661 C LYS A 215 9.613 17.395 -12.030 1.00 95.12 C +ATOM 1662 CB LYS A 215 7.233 18.139 -12.493 1.00 95.12 C +ATOM 1663 O LYS A 215 10.355 17.079 -12.954 1.00 95.12 O +ATOM 1664 CG LYS A 215 7.546 18.724 -13.882 1.00 95.12 C +ATOM 1665 CD LYS A 215 7.265 17.763 -15.052 1.00 95.12 C +ATOM 1666 CE LYS A 215 7.261 18.565 -16.362 1.00 95.12 C +ATOM 1667 NZ LYS A 215 6.871 17.756 -17.546 1.00 95.12 N +ATOM 1668 N GLU A 216 10.039 17.997 -10.919 1.00 94.81 N +ATOM 1669 CA GLU A 216 11.436 18.359 -10.623 1.00 94.81 C +ATOM 1670 C GLU A 216 12.317 17.159 -10.212 1.00 94.81 C +ATOM 1671 CB GLU A 216 11.458 19.481 -9.565 1.00 94.81 C +ATOM 1672 O GLU A 216 13.414 17.334 -9.679 1.00 94.81 O +ATOM 1673 CG GLU A 216 10.886 20.814 -10.080 1.00 94.81 C +ATOM 1674 CD GLU A 216 11.653 21.377 -11.285 1.00 94.81 C +ATOM 1675 OE1 GLU A 216 10.990 21.978 -12.158 1.00 94.81 O +ATOM 1676 OE2 GLU A 216 12.892 21.200 -11.330 1.00 94.81 O +ATOM 1677 N LYS A 217 11.861 15.919 -10.459 1.00 95.00 N +ATOM 1678 CA LYS A 217 12.627 14.676 -10.255 1.00 95.00 C +ATOM 1679 C LYS A 217 13.126 14.495 -8.805 1.00 95.00 C +ATOM 1680 CB LYS A 217 13.703 14.548 -11.368 1.00 95.00 C +ATOM 1681 O LYS A 217 14.167 13.888 -8.564 1.00 95.00 O +ATOM 1682 CG LYS A 217 13.048 14.266 -12.738 1.00 95.00 C +ATOM 1683 CD LYS A 217 13.994 14.121 -13.955 1.00 95.00 C +ATOM 1684 CE LYS A 217 13.135 13.647 -15.154 1.00 95.00 C +ATOM 1685 NZ LYS A 217 13.832 13.460 -16.460 1.00 95.00 N +ATOM 1686 N ARG A 218 12.364 14.999 -7.822 1.00 96.31 N +ATOM 1687 CA ARG A 218 12.646 14.864 -6.381 1.00 96.31 C +ATOM 1688 C ARG A 218 11.872 13.706 -5.757 1.00 96.31 C +ATOM 1689 CB ARG A 218 12.312 16.175 -5.648 1.00 96.31 C +ATOM 1690 O ARG A 218 10.690 13.518 -6.047 1.00 96.31 O +ATOM 1691 CG ARG A 218 13.093 17.402 -6.145 1.00 96.31 C +ATOM 1692 CD ARG A 218 14.611 17.278 -5.941 1.00 96.31 C +ATOM 1693 NE ARG A 218 14.971 17.204 -4.508 1.00 96.31 N +ATOM 1694 NH1 ARG A 218 14.661 19.426 -4.001 1.00 96.31 N +ATOM 1695 NH2 ARG A 218 15.243 18.023 -2.402 1.00 96.31 N +ATOM 1696 CZ ARG A 218 14.962 18.208 -3.653 1.00 96.31 C +ATOM 1697 N ASP A 219 12.518 12.987 -4.842 1.00 97.75 N +ATOM 1698 CA ASP A 219 11.838 12.003 -4.000 1.00 97.75 C +ATOM 1699 C ASP A 219 10.830 12.688 -3.063 1.00 97.75 C +ATOM 1700 CB ASP A 219 12.842 11.164 -3.192 1.00 97.75 C +ATOM 1701 O ASP A 219 11.025 13.822 -2.610 1.00 97.75 O +ATOM 1702 CG ASP A 219 13.530 10.043 -3.984 1.00 97.75 C +ATOM 1703 OD1 ASP A 219 13.464 10.045 -5.232 1.00 97.75 O +ATOM 1704 OD2 ASP A 219 14.063 9.111 -3.338 1.00 97.75 O +ATOM 1705 N LEU A 220 9.751 11.975 -2.746 1.00 97.38 N +ATOM 1706 CA LEU A 220 8.614 12.504 -1.994 1.00 97.38 C +ATOM 1707 C LEU A 220 8.170 11.522 -0.908 1.00 97.38 C +ATOM 1708 CB LEU A 220 7.480 12.810 -2.993 1.00 97.38 C +ATOM 1709 O LEU A 220 7.896 10.359 -1.191 1.00 97.38 O +ATOM 1710 CG LEU A 220 6.152 13.277 -2.367 1.00 97.38 C +ATOM 1711 CD1 LEU A 220 6.268 14.612 -1.636 1.00 97.38 C +ATOM 1712 CD2 LEU A 220 5.098 13.436 -3.461 1.00 97.38 C +ATOM 1713 N MET A 221 8.005 12.020 0.315 1.00 96.31 N +ATOM 1714 CA MET A 221 7.220 11.366 1.360 1.00 96.31 C +ATOM 1715 C MET A 221 5.963 12.200 1.601 1.00 96.31 C +ATOM 1716 CB MET A 221 8.062 11.227 2.635 1.00 96.31 C +ATOM 1717 O MET A 221 6.059 13.310 2.120 1.00 96.31 O +ATOM 1718 CG MET A 221 7.273 10.569 3.769 1.00 96.31 C +ATOM 1719 SD MET A 221 6.776 8.857 3.449 1.00 96.31 S +ATOM 1720 CE MET A 221 5.131 8.867 4.198 1.00 96.31 C +ATOM 1721 N ALA A 222 4.795 11.683 1.227 1.00 94.69 N +ATOM 1722 CA ALA A 222 3.520 12.381 1.328 1.00 94.69 C +ATOM 1723 C ALA A 222 2.577 11.698 2.329 1.00 94.69 C +ATOM 1724 CB ALA A 222 2.917 12.502 -0.073 1.00 94.69 C +ATOM 1725 O ALA A 222 2.094 10.583 2.108 1.00 94.69 O +ATOM 1726 N CYS A 223 2.277 12.406 3.412 1.00 91.00 N +ATOM 1727 CA CYS A 223 1.282 12.036 4.408 1.00 91.00 C +ATOM 1728 C CYS A 223 -0.037 12.746 4.089 1.00 91.00 C +ATOM 1729 CB CYS A 223 1.816 12.392 5.797 1.00 91.00 C +ATOM 1730 O CYS A 223 -0.153 13.957 4.281 1.00 91.00 O +ATOM 1731 SG CYS A 223 3.245 11.336 6.152 1.00 91.00 S +ATOM 1732 N ALA A 224 -1.024 12.006 3.581 1.00 84.06 N +ATOM 1733 CA ALA A 224 -2.326 12.551 3.207 1.00 84.06 C +ATOM 1734 C ALA A 224 -3.446 11.510 3.363 1.00 84.06 C +ATOM 1735 CB ALA A 224 -2.253 13.085 1.769 1.00 84.06 C +ATOM 1736 O ALA A 224 -3.289 10.337 3.016 1.00 84.06 O +ATOM 1737 N GLN A 225 -4.610 11.963 3.836 1.00 73.62 N +ATOM 1738 CA GLN A 225 -5.787 11.119 4.078 1.00 73.62 C +ATOM 1739 C GLN A 225 -6.286 10.400 2.808 1.00 73.62 C +ATOM 1740 CB GLN A 225 -6.916 11.973 4.684 1.00 73.62 C +ATOM 1741 O GLN A 225 -6.071 10.847 1.675 1.00 73.62 O +ATOM 1742 CG GLN A 225 -6.584 12.522 6.085 1.00 73.62 C +ATOM 1743 CD GLN A 225 -7.702 13.384 6.674 1.00 73.62 C +ATOM 1744 NE2 GLN A 225 -7.550 13.812 7.904 1.00 73.62 N +ATOM 1745 OE1 GLN A 225 -8.716 13.669 6.052 1.00 73.62 O +ATOM 1746 N THR A 226 -7.007 9.288 2.978 1.00 67.19 N +ATOM 1747 CA THR A 226 -7.655 8.577 1.861 1.00 67.19 C +ATOM 1748 C THR A 226 -8.676 9.468 1.151 1.00 67.19 C +ATOM 1749 CB THR A 226 -8.369 7.300 2.323 1.00 67.19 C +ATOM 1750 O THR A 226 -9.429 10.185 1.803 1.00 67.19 O +ATOM 1751 CG2 THR A 226 -7.402 6.246 2.859 1.00 67.19 C +ATOM 1752 OG1 THR A 226 -9.301 7.577 3.342 1.00 67.19 O +ATOM 1753 N GLY A 227 -8.742 9.406 -0.182 1.00 68.38 N +ATOM 1754 CA GLY A 227 -9.650 10.250 -0.972 1.00 68.38 C +ATOM 1755 C GLY A 227 -9.159 11.686 -1.214 1.00 68.38 C +ATOM 1756 O GLY A 227 -9.874 12.461 -1.835 1.00 68.38 O +ATOM 1757 N SER A 228 -7.938 12.037 -0.793 1.00 75.19 N +ATOM 1758 CA SER A 228 -7.300 13.339 -1.075 1.00 75.19 C +ATOM 1759 C SER A 228 -6.775 13.505 -2.512 1.00 75.19 C +ATOM 1760 CB SER A 228 -6.148 13.577 -0.090 1.00 75.19 C +ATOM 1761 O SER A 228 -6.275 14.572 -2.854 1.00 75.19 O +ATOM 1762 OG SER A 228 -5.214 12.518 -0.187 1.00 75.19 O +ATOM 1763 N GLY A 229 -6.864 12.480 -3.370 1.00 83.25 N +ATOM 1764 CA GLY A 229 -6.390 12.537 -4.763 1.00 83.25 C +ATOM 1765 C GLY A 229 -4.946 12.063 -5.001 1.00 83.25 C +ATOM 1766 O GLY A 229 -4.407 12.318 -6.080 1.00 83.25 O +ATOM 1767 N LYS A 230 -4.335 11.355 -4.033 1.00 89.62 N +ATOM 1768 CA LYS A 230 -2.951 10.825 -4.087 1.00 89.62 C +ATOM 1769 C LYS A 230 -2.594 10.132 -5.411 1.00 89.62 C +ATOM 1770 CB LYS A 230 -2.700 9.827 -2.936 1.00 89.62 C +ATOM 1771 O LYS A 230 -1.539 10.398 -5.971 1.00 89.62 O +ATOM 1772 CG LYS A 230 -2.942 10.400 -1.527 1.00 89.62 C +ATOM 1773 CD LYS A 230 -2.412 9.474 -0.418 1.00 89.62 C +ATOM 1774 CE LYS A 230 -3.198 8.160 -0.275 1.00 89.62 C +ATOM 1775 NZ LYS A 230 -2.391 7.087 0.359 1.00 89.62 N +ATOM 1776 N THR A 231 -3.486 9.290 -5.936 1.00 92.56 N +ATOM 1777 CA THR A 231 -3.252 8.474 -7.140 1.00 92.56 C +ATOM 1778 C THR A 231 -2.916 9.315 -8.374 1.00 92.56 C +ATOM 1779 CB THR A 231 -4.473 7.578 -7.395 1.00 92.56 C +ATOM 1780 O THR A 231 -1.894 9.090 -9.018 1.00 92.56 O +ATOM 1781 CG2 THR A 231 -4.239 6.520 -8.465 1.00 92.56 C +ATOM 1782 OG1 THR A 231 -4.831 6.930 -6.193 1.00 92.56 O +ATOM 1783 N ALA A 232 -3.710 10.346 -8.674 1.00 93.62 N +ATOM 1784 CA ALA A 232 -3.401 11.267 -9.770 1.00 93.62 C +ATOM 1785 C ALA A 232 -2.172 12.146 -9.462 1.00 93.62 C +ATOM 1786 CB ALA A 232 -4.654 12.089 -10.080 1.00 93.62 C +ATOM 1787 O ALA A 232 -1.426 12.489 -10.377 1.00 93.62 O +ATOM 1788 N ALA A 233 -1.909 12.447 -8.183 1.00 95.31 N +ATOM 1789 CA ALA A 233 -0.771 13.264 -7.760 1.00 95.31 C +ATOM 1790 C ALA A 233 0.589 12.669 -8.167 1.00 95.31 C +ATOM 1791 CB ALA A 233 -0.857 13.492 -6.243 1.00 95.31 C +ATOM 1792 O ALA A 233 1.493 13.431 -8.495 1.00 95.31 O +ATOM 1793 N PHE A 234 0.724 11.334 -8.204 1.00 96.88 N +ATOM 1794 CA PHE A 234 1.914 10.671 -8.751 1.00 96.88 C +ATOM 1795 C PHE A 234 1.766 10.221 -10.209 1.00 96.88 C +ATOM 1796 CB PHE A 234 2.381 9.536 -7.829 1.00 96.88 C +ATOM 1797 O PHE A 234 2.720 10.353 -10.974 1.00 96.88 O +ATOM 1798 CG PHE A 234 1.435 8.360 -7.633 1.00 96.88 C +ATOM 1799 CD1 PHE A 234 0.687 8.241 -6.446 1.00 96.88 C +ATOM 1800 CD2 PHE A 234 1.365 7.334 -8.597 1.00 96.88 C +ATOM 1801 CE1 PHE A 234 -0.108 7.105 -6.215 1.00 96.88 C +ATOM 1802 CE2 PHE A 234 0.546 6.210 -8.379 1.00 96.88 C +ATOM 1803 CZ PHE A 234 -0.190 6.095 -7.188 1.00 96.88 C +ATOM 1804 N LEU A 235 0.598 9.720 -10.638 1.00 97.56 N +ATOM 1805 CA LEU A 235 0.446 9.200 -12.005 1.00 97.56 C +ATOM 1806 C LEU A 235 0.634 10.279 -13.078 1.00 97.56 C +ATOM 1807 CB LEU A 235 -0.919 8.515 -12.187 1.00 97.56 C +ATOM 1808 O LEU A 235 1.304 10.012 -14.074 1.00 97.56 O +ATOM 1809 CG LEU A 235 -1.074 7.143 -11.509 1.00 97.56 C +ATOM 1810 CD1 LEU A 235 -2.495 6.642 -11.757 1.00 97.56 C +ATOM 1811 CD2 LEU A 235 -0.106 6.090 -12.057 1.00 97.56 C +ATOM 1812 N LEU A 236 0.084 11.483 -12.883 1.00 96.94 N +ATOM 1813 CA LEU A 236 0.163 12.572 -13.865 1.00 96.94 C +ATOM 1814 C LEU A 236 1.619 12.997 -14.169 1.00 96.94 C +ATOM 1815 CB LEU A 236 -0.726 13.756 -13.424 1.00 96.94 C +ATOM 1816 O LEU A 236 2.017 12.918 -15.336 1.00 96.94 O +ATOM 1817 CG LEU A 236 -2.237 13.462 -13.342 1.00 96.94 C +ATOM 1818 CD1 LEU A 236 -2.954 14.669 -12.732 1.00 96.94 C +ATOM 1819 CD2 LEU A 236 -2.852 13.176 -14.707 1.00 96.94 C +ATOM 1820 N PRO A 237 2.459 13.381 -13.180 1.00 97.12 N +ATOM 1821 CA PRO A 237 3.840 13.789 -13.448 1.00 97.12 C +ATOM 1822 C PRO A 237 4.752 12.630 -13.879 1.00 97.12 C +ATOM 1823 CB PRO A 237 4.332 14.453 -12.157 1.00 97.12 C +ATOM 1824 O PRO A 237 5.670 12.867 -14.665 1.00 97.12 O +ATOM 1825 CG PRO A 237 3.509 13.752 -11.080 1.00 97.12 C +ATOM 1826 CD PRO A 237 2.159 13.590 -11.768 1.00 97.12 C +ATOM 1827 N ILE A 238 4.511 11.389 -13.424 1.00 97.44 N +ATOM 1828 CA ILE A 238 5.269 10.210 -13.885 1.00 97.44 C +ATOM 1829 C ILE A 238 4.978 9.940 -15.365 1.00 97.44 C +ATOM 1830 CB ILE A 238 4.968 8.965 -13.012 1.00 97.44 C +ATOM 1831 O ILE A 238 5.906 9.827 -16.164 1.00 97.44 O +ATOM 1832 CG1 ILE A 238 5.575 9.142 -11.601 1.00 97.44 C +ATOM 1833 CG2 ILE A 238 5.509 7.669 -13.652 1.00 97.44 C +ATOM 1834 CD1 ILE A 238 5.134 8.057 -10.609 1.00 97.44 C +ATOM 1835 N LEU A 239 3.701 9.862 -15.754 1.00 97.31 N +ATOM 1836 CA LEU A 239 3.319 9.597 -17.143 1.00 97.31 C +ATOM 1837 C LEU A 239 3.751 10.740 -18.069 1.00 97.31 C +ATOM 1838 CB LEU A 239 1.809 9.323 -17.225 1.00 97.31 C +ATOM 1839 O LEU A 239 4.300 10.462 -19.130 1.00 97.31 O +ATOM 1840 CG LEU A 239 1.378 7.966 -16.640 1.00 97.31 C +ATOM 1841 CD1 LEU A 239 -0.146 7.896 -16.581 1.00 97.31 C +ATOM 1842 CD2 LEU A 239 1.859 6.794 -17.497 1.00 97.31 C +ATOM 1843 N SER A 240 3.616 12.000 -17.635 1.00 96.25 N +ATOM 1844 CA SER A 240 4.156 13.171 -18.345 1.00 96.25 C +ATOM 1845 C SER A 240 5.644 13.014 -18.677 1.00 96.25 C +ATOM 1846 CB SER A 240 3.968 14.429 -17.488 1.00 96.25 C +ATOM 1847 O SER A 240 6.048 13.192 -19.827 1.00 96.25 O +ATOM 1848 OG SER A 240 4.542 15.549 -18.134 1.00 96.25 O +ATOM 1849 N GLN A 241 6.465 12.633 -17.693 1.00 95.19 N +ATOM 1850 CA GLN A 241 7.898 12.431 -17.912 1.00 95.19 C +ATOM 1851 C GLN A 241 8.184 11.223 -18.808 1.00 95.19 C +ATOM 1852 CB GLN A 241 8.628 12.297 -16.574 1.00 95.19 C +ATOM 1853 O GLN A 241 9.057 11.312 -19.660 1.00 95.19 O +ATOM 1854 CG GLN A 241 8.719 13.642 -15.848 1.00 95.19 C +ATOM 1855 CD GLN A 241 9.320 13.484 -14.461 1.00 95.19 C +ATOM 1856 NE2 GLN A 241 8.537 13.671 -13.426 1.00 95.19 N +ATOM 1857 OE1 GLN A 241 10.487 13.185 -14.296 1.00 95.19 O +ATOM 1858 N ILE A 242 7.432 10.123 -18.691 1.00 95.31 N +ATOM 1859 CA ILE A 242 7.589 8.957 -19.579 1.00 95.31 C +ATOM 1860 C ILE A 242 7.204 9.293 -21.036 1.00 95.31 C +ATOM 1861 CB ILE A 242 6.813 7.743 -19.010 1.00 95.31 C +ATOM 1862 O ILE A 242 7.805 8.749 -21.962 1.00 95.31 O +ATOM 1863 CG1 ILE A 242 7.432 7.276 -17.670 1.00 95.31 C +ATOM 1864 CG2 ILE A 242 6.823 6.564 -19.998 1.00 95.31 C +ATOM 1865 CD1 ILE A 242 6.592 6.237 -16.912 1.00 95.31 C +ATOM 1866 N TYR A 243 6.246 10.194 -21.271 1.00 94.75 N +ATOM 1867 CA TYR A 243 5.915 10.669 -22.623 1.00 94.75 C +ATOM 1868 C TYR A 243 6.995 11.586 -23.203 1.00 94.75 C +ATOM 1869 CB TYR A 243 4.551 11.379 -22.621 1.00 94.75 C +ATOM 1870 O TYR A 243 7.300 11.481 -24.388 1.00 94.75 O +ATOM 1871 CG TYR A 243 3.368 10.563 -22.134 1.00 94.75 C +ATOM 1872 CD1 TYR A 243 3.335 9.166 -22.309 1.00 94.75 C +ATOM 1873 CD2 TYR A 243 2.286 11.213 -21.506 1.00 94.75 C +ATOM 1874 CE1 TYR A 243 2.259 8.426 -21.800 1.00 94.75 C +ATOM 1875 CE2 TYR A 243 1.196 10.469 -21.015 1.00 94.75 C +ATOM 1876 OH TYR A 243 0.184 8.320 -20.647 1.00 94.75 O +ATOM 1877 CZ TYR A 243 1.201 9.068 -21.138 1.00 94.75 C +ATOM 1878 N SER A 244 7.585 12.444 -22.366 1.00 92.25 N +ATOM 1879 CA SER A 244 8.640 13.393 -22.746 1.00 92.25 C +ATOM 1880 C SER A 244 10.003 12.723 -22.972 1.00 92.25 C +ATOM 1881 CB SER A 244 8.744 14.454 -21.647 1.00 92.25 C +ATOM 1882 O SER A 244 10.654 12.974 -23.981 1.00 92.25 O +ATOM 1883 OG SER A 244 9.629 15.493 -22.003 1.00 92.25 O +ATOM 1884 N ASP A 245 10.438 11.866 -22.044 1.00 90.50 N +ATOM 1885 CA ASP A 245 11.733 11.168 -22.092 1.00 90.50 C +ATOM 1886 C ASP A 245 11.675 9.924 -23.017 1.00 90.50 C +ATOM 1887 CB ASP A 245 12.171 10.777 -20.653 1.00 90.50 C +ATOM 1888 O ASP A 245 12.703 9.411 -23.473 1.00 90.50 O +ATOM 1889 CG ASP A 245 12.478 11.936 -19.669 1.00 90.50 C +ATOM 1890 OD1 ASP A 245 12.487 13.116 -20.076 1.00 90.50 O +ATOM 1891 OD2 ASP A 245 12.773 11.665 -18.471 1.00 90.50 O +ATOM 1892 N GLY A 246 10.467 9.421 -23.301 1.00 87.81 N +ATOM 1893 CA GLY A 246 10.226 8.219 -24.096 1.00 87.81 C +ATOM 1894 C GLY A 246 10.671 6.916 -23.406 1.00 87.81 C +ATOM 1895 O GLY A 246 10.908 6.874 -22.198 1.00 87.81 O +ATOM 1896 N PRO A 247 10.810 5.808 -24.162 1.00 81.31 N +ATOM 1897 CA PRO A 247 11.175 4.501 -23.604 1.00 81.31 C +ATOM 1898 C PRO A 247 12.641 4.390 -23.140 1.00 81.31 C +ATOM 1899 CB PRO A 247 10.859 3.494 -24.715 1.00 81.31 C +ATOM 1900 O PRO A 247 13.019 3.373 -22.559 1.00 81.31 O +ATOM 1901 CG PRO A 247 10.927 4.309 -26.005 1.00 81.31 C +ATOM 1902 CD PRO A 247 10.535 5.720 -25.587 1.00 81.31 C +ATOM 1903 N GLY A 248 13.478 5.392 -23.423 1.00 76.81 N +ATOM 1904 CA GLY A 248 14.924 5.348 -23.202 1.00 76.81 C +ATOM 1905 C GLY A 248 15.683 4.440 -24.183 1.00 76.81 C +ATOM 1906 O GLY A 248 15.142 3.506 -24.780 1.00 76.81 O +ATOM 1907 N GLU A 249 16.979 4.710 -24.353 1.00 72.12 N +ATOM 1908 CA GLU A 249 17.835 4.004 -25.321 1.00 72.12 C +ATOM 1909 C GLU A 249 17.923 2.497 -25.056 1.00 72.12 C +ATOM 1910 CB GLU A 249 19.251 4.588 -25.295 1.00 72.12 C +ATOM 1911 O GLU A 249 17.864 1.705 -25.994 1.00 72.12 O +ATOM 1912 CG GLU A 249 19.293 6.063 -25.716 1.00 72.12 C +ATOM 1913 CD GLU A 249 20.727 6.607 -25.787 1.00 72.12 C +ATOM 1914 OE1 GLU A 249 20.903 7.638 -26.468 1.00 72.12 O +ATOM 1915 OE2 GLU A 249 21.622 5.989 -25.166 1.00 72.12 O +ATOM 1916 N ALA A 250 18.000 2.082 -23.787 1.00 69.19 N +ATOM 1917 CA ALA A 250 18.120 0.673 -23.416 1.00 69.19 C +ATOM 1918 C ALA A 250 16.911 -0.161 -23.879 1.00 69.19 C +ATOM 1919 CB ALA A 250 18.323 0.586 -21.899 1.00 69.19 C +ATOM 1920 O ALA A 250 17.082 -1.244 -24.445 1.00 69.19 O +ATOM 1921 N LEU A 251 15.687 0.355 -23.707 1.00 72.50 N +ATOM 1922 CA LEU A 251 14.477 -0.350 -24.125 1.00 72.50 C +ATOM 1923 C LEU A 251 14.312 -0.324 -25.655 1.00 72.50 C +ATOM 1924 CB LEU A 251 13.268 0.236 -23.372 1.00 72.50 C +ATOM 1925 O LEU A 251 13.907 -1.337 -26.230 1.00 72.50 O +ATOM 1926 CG LEU A 251 11.993 -0.629 -23.406 1.00 72.50 C +ATOM 1927 CD1 LEU A 251 12.181 -1.975 -22.697 1.00 72.50 C +ATOM 1928 CD2 LEU A 251 10.841 0.099 -22.712 1.00 72.50 C +ATOM 1929 N ARG A 252 14.702 0.773 -26.330 1.00 69.25 N +ATOM 1930 CA ARG A 252 14.761 0.845 -27.807 1.00 69.25 C +ATOM 1931 C ARG A 252 15.747 -0.177 -28.375 1.00 69.25 C +ATOM 1932 CB ARG A 252 15.104 2.267 -28.297 1.00 69.25 C +ATOM 1933 O ARG A 252 15.349 -1.015 -29.180 1.00 69.25 O +ATOM 1934 CG ARG A 252 13.971 3.263 -28.013 1.00 69.25 C +ATOM 1935 CD ARG A 252 14.291 4.693 -28.474 1.00 69.25 C +ATOM 1936 NE ARG A 252 14.141 4.881 -29.934 1.00 69.25 N +ATOM 1937 NH1 ARG A 252 15.690 6.564 -30.229 1.00 69.25 N +ATOM 1938 NH2 ARG A 252 14.451 5.870 -31.944 1.00 69.25 N +ATOM 1939 CZ ARG A 252 14.766 5.766 -30.690 1.00 69.25 C +ATOM 1940 N ALA A 253 16.983 -0.204 -27.879 1.00 60.34 N +ATOM 1941 CA ALA A 253 18.007 -1.148 -28.316 1.00 60.34 C +ATOM 1942 C ALA A 253 17.591 -2.613 -28.084 1.00 60.34 C +ATOM 1943 CB ALA A 253 19.311 -0.816 -27.580 1.00 60.34 C +ATOM 1944 O ALA A 253 17.855 -3.477 -28.922 1.00 60.34 O +ATOM 1945 N MET A 254 16.903 -2.930 -26.981 1.00 65.12 N +ATOM 1946 CA MET A 254 16.383 -4.287 -26.767 1.00 65.12 C +ATOM 1947 C MET A 254 15.193 -4.637 -27.681 1.00 65.12 C +ATOM 1948 CB MET A 254 16.009 -4.499 -25.301 1.00 65.12 C +ATOM 1949 O MET A 254 15.072 -5.796 -28.086 1.00 65.12 O +ATOM 1950 CG MET A 254 17.200 -4.589 -24.350 1.00 65.12 C +ATOM 1951 SD MET A 254 16.669 -5.097 -22.696 1.00 65.12 S +ATOM 1952 CE MET A 254 18.277 -5.289 -21.891 1.00 65.12 C +ATOM 1953 N LYS A 255 14.342 -3.662 -28.042 1.00 66.50 N +ATOM 1954 CA LYS A 255 13.256 -3.822 -29.030 1.00 66.50 C +ATOM 1955 C LYS A 255 13.819 -4.106 -30.430 1.00 66.50 C +ATOM 1956 CB LYS A 255 12.362 -2.563 -28.985 1.00 66.50 C +ATOM 1957 O LYS A 255 13.337 -5.016 -31.099 1.00 66.50 O +ATOM 1958 CG LYS A 255 11.096 -2.597 -29.865 1.00 66.50 C +ATOM 1959 CD LYS A 255 10.405 -1.217 -29.829 1.00 66.50 C +ATOM 1960 CE LYS A 255 9.210 -1.099 -30.791 1.00 66.50 C +ATOM 1961 NZ LYS A 255 8.813 0.327 -31.008 1.00 66.50 N +ATOM 1962 N GLU A 256 14.869 -3.393 -30.839 1.00 56.75 N +ATOM 1963 CA GLU A 256 15.544 -3.579 -32.135 1.00 56.75 C +ATOM 1964 C GLU A 256 16.297 -4.911 -32.243 1.00 56.75 C +ATOM 1965 CB GLU A 256 16.539 -2.436 -32.367 1.00 56.75 C +ATOM 1966 O GLU A 256 16.234 -5.579 -33.273 1.00 56.75 O +ATOM 1967 CG GLU A 256 15.836 -1.100 -32.640 1.00 56.75 C +ATOM 1968 CD GLU A 256 16.829 0.034 -32.927 1.00 56.75 C +ATOM 1969 OE1 GLU A 256 16.386 1.019 -33.556 1.00 56.75 O +ATOM 1970 OE2 GLU A 256 18.010 -0.098 -32.532 1.00 56.75 O +ATOM 1971 N ASN A 257 16.972 -5.343 -31.174 1.00 52.72 N +ATOM 1972 CA ASN A 257 17.802 -6.552 -31.192 1.00 52.72 C +ATOM 1973 C ASN A 257 17.018 -7.873 -31.336 1.00 52.72 C +ATOM 1974 CB ASN A 257 18.708 -6.553 -29.945 1.00 52.72 C +ATOM 1975 O ASN A 257 17.635 -8.938 -31.386 1.00 52.72 O +ATOM 1976 CG ASN A 257 20.007 -5.810 -30.194 1.00 52.72 C +ATOM 1977 ND2 ASN A 257 20.273 -4.739 -29.493 1.00 52.72 N +ATOM 1978 OD1 ASN A 257 20.818 -6.216 -31.005 1.00 52.72 O +ATOM 1979 N GLY A 258 15.678 -7.857 -31.331 1.00 52.22 N +ATOM 1980 CA GLY A 258 14.826 -9.046 -31.512 1.00 52.22 C +ATOM 1981 C GLY A 258 14.953 -10.128 -30.425 1.00 52.22 C +ATOM 1982 O GLY A 258 14.252 -11.138 -30.471 1.00 52.22 O +ATOM 1983 N ARG A 259 15.822 -9.930 -29.423 1.00 49.06 N +ATOM 1984 CA ARG A 259 16.126 -10.896 -28.353 1.00 49.06 C +ATOM 1985 C ARG A 259 15.073 -10.955 -27.248 1.00 49.06 C +ATOM 1986 CB ARG A 259 17.534 -10.656 -27.782 1.00 49.06 C +ATOM 1987 O ARG A 259 15.168 -11.827 -26.384 1.00 49.06 O +ATOM 1988 CG ARG A 259 18.640 -11.063 -28.765 1.00 49.06 C +ATOM 1989 CD ARG A 259 20.006 -11.014 -28.074 1.00 49.06 C +ATOM 1990 NE ARG A 259 21.098 -11.282 -29.028 1.00 49.06 N +ATOM 1991 NH1 ARG A 259 22.633 -12.146 -27.546 1.00 49.06 N +ATOM 1992 NH2 ARG A 259 23.184 -11.902 -29.693 1.00 49.06 N +ATOM 1993 CZ ARG A 259 22.293 -11.776 -28.751 1.00 49.06 C +ATOM 1994 N TYR A 260 14.035 -10.119 -27.300 1.00 47.78 N +ATOM 1995 CA TYR A 260 12.807 -10.346 -26.539 1.00 47.78 C +ATOM 1996 C TYR A 260 12.058 -11.570 -27.076 1.00 47.78 C +ATOM 1997 CB TYR A 260 11.923 -9.092 -26.496 1.00 47.78 C +ATOM 1998 O TYR A 260 11.036 -11.478 -27.756 1.00 47.78 O +ATOM 1999 CG TYR A 260 12.298 -8.124 -25.397 1.00 47.78 C +ATOM 2000 CD1 TYR A 260 12.144 -8.504 -24.048 1.00 47.78 C +ATOM 2001 CD2 TYR A 260 12.740 -6.827 -25.717 1.00 47.78 C +ATOM 2002 CE1 TYR A 260 12.476 -7.602 -23.023 1.00 47.78 C +ATOM 2003 CE2 TYR A 260 13.022 -5.910 -24.688 1.00 47.78 C +ATOM 2004 OH TYR A 260 13.247 -5.444 -22.345 1.00 47.78 O +ATOM 2005 CZ TYR A 260 12.927 -6.306 -23.340 1.00 47.78 C +ATOM 2006 N GLY A 261 12.532 -12.753 -26.684 1.00 48.84 N +ATOM 2007 CA GLY A 261 11.793 -14.005 -26.773 1.00 48.84 C +ATOM 2008 C GLY A 261 10.606 -14.020 -25.808 1.00 48.84 C +ATOM 2009 O GLY A 261 10.608 -14.811 -24.872 1.00 48.84 O +ATOM 2010 N ARG A 262 9.624 -13.129 -26.022 1.00 56.94 N +ATOM 2011 CA ARG A 262 8.258 -13.078 -25.453 1.00 56.94 C +ATOM 2012 C ARG A 262 8.070 -13.245 -23.931 1.00 56.94 C +ATOM 2013 CB ARG A 262 7.345 -14.041 -26.252 1.00 56.94 C +ATOM 2014 O ARG A 262 6.933 -13.405 -23.519 1.00 56.94 O +ATOM 2015 CG ARG A 262 6.890 -13.458 -27.597 1.00 56.94 C +ATOM 2016 CD ARG A 262 5.868 -14.406 -28.241 1.00 56.94 C +ATOM 2017 NE ARG A 262 5.233 -13.806 -29.430 1.00 56.94 N +ATOM 2018 NH1 ARG A 262 3.828 -15.554 -29.931 1.00 56.94 N +ATOM 2019 NH2 ARG A 262 3.766 -13.701 -31.170 1.00 56.94 N +ATOM 2020 CZ ARG A 262 4.283 -14.354 -30.169 1.00 56.94 C +ATOM 2021 N ARG A 263 9.113 -13.250 -23.091 1.00 75.81 N +ATOM 2022 CA ARG A 263 9.010 -13.790 -21.713 1.00 75.81 C +ATOM 2023 C ARG A 263 9.229 -12.812 -20.560 1.00 75.81 C +ATOM 2024 CB ARG A 263 9.943 -15.001 -21.574 1.00 75.81 C +ATOM 2025 O ARG A 263 8.523 -12.960 -19.571 1.00 75.81 O +ATOM 2026 CG ARG A 263 9.371 -16.240 -22.279 1.00 75.81 C +ATOM 2027 CD ARG A 263 10.418 -17.357 -22.302 1.00 75.81 C +ATOM 2028 NE ARG A 263 9.920 -18.547 -23.015 1.00 75.81 N +ATOM 2029 NH1 ARG A 263 11.508 -20.035 -22.272 1.00 75.81 N +ATOM 2030 NH2 ARG A 263 9.938 -20.722 -23.696 1.00 75.81 N +ATOM 2031 CZ ARG A 263 10.456 -19.756 -22.991 1.00 75.81 C +ATOM 2032 N LYS A 264 10.177 -11.874 -20.653 1.00 89.56 N +ATOM 2033 CA LYS A 264 10.502 -10.919 -19.575 1.00 89.56 C +ATOM 2034 C LYS A 264 10.116 -9.501 -19.996 1.00 89.56 C +ATOM 2035 CB LYS A 264 11.985 -11.055 -19.157 1.00 89.56 C +ATOM 2036 O LYS A 264 10.348 -9.139 -21.145 1.00 89.56 O +ATOM 2037 CG LYS A 264 12.284 -10.368 -17.810 1.00 89.56 C +ATOM 2038 CD LYS A 264 13.691 -10.679 -17.256 1.00 89.56 C +ATOM 2039 CE LYS A 264 13.822 -9.985 -15.892 1.00 89.56 C +ATOM 2040 NZ LYS A 264 15.208 -9.799 -15.382 1.00 89.56 N +ATOM 2041 N GLN A 265 9.528 -8.733 -19.085 1.00 92.38 N +ATOM 2042 CA GLN A 265 9.179 -7.319 -19.246 1.00 92.38 C +ATOM 2043 C GLN A 265 9.984 -6.462 -18.270 1.00 92.38 C +ATOM 2044 CB GLN A 265 7.686 -7.100 -18.974 1.00 92.38 C +ATOM 2045 O GLN A 265 10.379 -6.946 -17.209 1.00 92.38 O +ATOM 2046 CG GLN A 265 6.758 -7.871 -19.914 1.00 92.38 C +ATOM 2047 CD GLN A 265 6.874 -7.415 -21.365 1.00 92.38 C +ATOM 2048 NE2 GLN A 265 6.868 -8.319 -22.320 1.00 92.38 N +ATOM 2049 OE1 GLN A 265 6.983 -6.239 -21.669 1.00 92.38 O +ATOM 2050 N TYR A 266 10.187 -5.194 -18.617 1.00 94.25 N +ATOM 2051 CA TYR A 266 10.985 -4.251 -17.836 1.00 94.25 C +ATOM 2052 C TYR A 266 10.203 -2.937 -17.668 1.00 94.25 C +ATOM 2053 CB TYR A 266 12.342 -4.042 -18.520 1.00 94.25 C +ATOM 2054 O TYR A 266 10.295 -2.063 -18.533 1.00 94.25 O +ATOM 2055 CG TYR A 266 13.257 -5.257 -18.553 1.00 94.25 C +ATOM 2056 CD1 TYR A 266 14.397 -5.292 -17.730 1.00 94.25 C +ATOM 2057 CD2 TYR A 266 13.020 -6.319 -19.451 1.00 94.25 C +ATOM 2058 CE1 TYR A 266 15.314 -6.352 -17.843 1.00 94.25 C +ATOM 2059 CE2 TYR A 266 13.914 -7.406 -19.530 1.00 94.25 C +ATOM 2060 OH TYR A 266 15.986 -8.413 -18.829 1.00 94.25 O +ATOM 2061 CZ TYR A 266 15.076 -7.409 -18.736 1.00 94.25 C +ATOM 2062 N PRO A 267 9.383 -2.805 -16.607 1.00 95.50 N +ATOM 2063 CA PRO A 267 8.607 -1.597 -16.353 1.00 95.50 C +ATOM 2064 C PRO A 267 9.514 -0.388 -16.091 1.00 95.50 C +ATOM 2065 CB PRO A 267 7.709 -1.913 -15.147 1.00 95.50 C +ATOM 2066 O PRO A 267 10.491 -0.481 -15.349 1.00 95.50 O +ATOM 2067 CG PRO A 267 7.694 -3.440 -15.081 1.00 95.50 C +ATOM 2068 CD PRO A 267 9.073 -3.814 -15.607 1.00 95.50 C +ATOM 2069 N ILE A 268 9.153 0.761 -16.663 1.00 96.12 N +ATOM 2070 CA ILE A 268 9.806 2.055 -16.408 1.00 96.12 C +ATOM 2071 C ILE A 268 9.313 2.626 -15.068 1.00 96.12 C +ATOM 2072 CB ILE A 268 9.527 3.038 -17.574 1.00 96.12 C +ATOM 2073 O ILE A 268 10.069 3.268 -14.338 1.00 96.12 O +ATOM 2074 CG1 ILE A 268 9.964 2.447 -18.938 1.00 96.12 C +ATOM 2075 CG2 ILE A 268 10.238 4.383 -17.323 1.00 96.12 C +ATOM 2076 CD1 ILE A 268 9.531 3.281 -20.152 1.00 96.12 C +ATOM 2077 N SER A 269 8.049 2.363 -14.727 1.00 97.62 N +ATOM 2078 CA SER A 269 7.449 2.695 -13.436 1.00 97.62 C +ATOM 2079 C SER A 269 6.887 1.448 -12.752 1.00 97.62 C +ATOM 2080 CB SER A 269 6.374 3.769 -13.618 1.00 97.62 C +ATOM 2081 O SER A 269 6.243 0.614 -13.395 1.00 97.62 O +ATOM 2082 OG SER A 269 5.729 4.061 -12.395 1.00 97.62 O +ATOM 2083 N LEU A 270 7.114 1.350 -11.443 1.00 98.38 N +ATOM 2084 CA LEU A 270 6.525 0.364 -10.547 1.00 98.38 C +ATOM 2085 C LEU A 270 5.729 1.080 -9.450 1.00 98.38 C +ATOM 2086 CB LEU A 270 7.646 -0.517 -9.962 1.00 98.38 C +ATOM 2087 O LEU A 270 6.269 1.934 -8.749 1.00 98.38 O +ATOM 2088 CG LEU A 270 7.159 -1.524 -8.904 1.00 98.38 C +ATOM 2089 CD1 LEU A 270 6.205 -2.568 -9.489 1.00 98.38 C +ATOM 2090 CD2 LEU A 270 8.351 -2.255 -8.293 1.00 98.38 C +ATOM 2091 N VAL A 271 4.472 0.684 -9.262 1.00 98.44 N +ATOM 2092 CA VAL A 271 3.613 1.127 -8.161 1.00 98.44 C +ATOM 2093 C VAL A 271 3.266 -0.077 -7.290 1.00 98.44 C +ATOM 2094 CB VAL A 271 2.339 1.832 -8.668 1.00 98.44 C +ATOM 2095 O VAL A 271 2.627 -1.021 -7.755 1.00 98.44 O +ATOM 2096 CG1 VAL A 271 1.562 2.412 -7.478 1.00 98.44 C +ATOM 2097 CG2 VAL A 271 2.638 2.954 -9.675 1.00 98.44 C +ATOM 2098 N LEU A 272 3.686 -0.050 -6.029 1.00 97.94 N +ATOM 2099 CA LEU A 272 3.343 -1.047 -5.021 1.00 97.94 C +ATOM 2100 C LEU A 272 2.112 -0.599 -4.229 1.00 97.94 C +ATOM 2101 CB LEU A 272 4.547 -1.319 -4.103 1.00 97.94 C +ATOM 2102 O LEU A 272 2.043 0.546 -3.783 1.00 97.94 O +ATOM 2103 CG LEU A 272 5.770 -1.932 -4.811 1.00 97.94 C +ATOM 2104 CD1 LEU A 272 6.896 -2.155 -3.800 1.00 97.94 C +ATOM 2105 CD2 LEU A 272 5.452 -3.286 -5.454 1.00 97.94 C +ATOM 2106 N ALA A 273 1.167 -1.521 -4.046 1.00 94.00 N +ATOM 2107 CA ALA A 273 -0.038 -1.321 -3.244 1.00 94.00 C +ATOM 2108 C ALA A 273 -0.300 -2.538 -2.329 1.00 94.00 C +ATOM 2109 CB ALA A 273 -1.218 -1.056 -4.189 1.00 94.00 C +ATOM 2110 O ALA A 273 -0.072 -3.676 -2.751 1.00 94.00 O +ATOM 2111 N PRO A 274 -0.826 -2.350 -1.104 1.00 89.06 N +ATOM 2112 CA PRO A 274 -1.050 -3.434 -0.139 1.00 89.06 C +ATOM 2113 C PRO A 274 -2.078 -4.485 -0.578 1.00 89.06 C +ATOM 2114 CB PRO A 274 -1.510 -2.732 1.148 1.00 89.06 C +ATOM 2115 O PRO A 274 -1.982 -5.646 -0.188 1.00 89.06 O +ATOM 2116 CG PRO A 274 -2.053 -1.387 0.674 1.00 89.06 C +ATOM 2117 CD PRO A 274 -1.129 -1.066 -0.492 1.00 89.06 C +ATOM 2118 N THR A 275 -3.084 -4.112 -1.370 1.00 84.81 N +ATOM 2119 CA THR A 275 -4.230 -4.985 -1.690 1.00 84.81 C +ATOM 2120 C THR A 275 -4.583 -4.958 -3.173 1.00 84.81 C +ATOM 2121 CB THR A 275 -5.465 -4.621 -0.848 1.00 84.81 C +ATOM 2122 O THR A 275 -4.364 -3.956 -3.857 1.00 84.81 O +ATOM 2123 CG2 THR A 275 -5.305 -5.048 0.609 1.00 84.81 C +ATOM 2124 OG1 THR A 275 -5.685 -3.228 -0.874 1.00 84.81 O +ATOM 2125 N ARG A 276 -5.188 -6.051 -3.661 1.00 86.00 N +ATOM 2126 CA ARG A 276 -5.658 -6.206 -5.050 1.00 86.00 C +ATOM 2127 C ARG A 276 -6.548 -5.052 -5.488 1.00 86.00 C +ATOM 2128 CB ARG A 276 -6.429 -7.534 -5.165 1.00 86.00 C +ATOM 2129 O ARG A 276 -6.423 -4.581 -6.607 1.00 86.00 O +ATOM 2130 CG ARG A 276 -7.273 -7.675 -6.450 1.00 86.00 C +ATOM 2131 CD ARG A 276 -7.819 -9.099 -6.515 1.00 86.00 C +ATOM 2132 NE ARG A 276 -8.617 -9.388 -7.730 1.00 86.00 N +ATOM 2133 NH1 ARG A 276 -7.885 -11.537 -7.985 1.00 86.00 N +ATOM 2134 NH2 ARG A 276 -9.512 -10.790 -9.294 1.00 86.00 N +ATOM 2135 CZ ARG A 276 -8.667 -10.557 -8.340 1.00 86.00 C +ATOM 2136 N GLU A 277 -7.450 -4.621 -4.623 1.00 80.31 N +ATOM 2137 CA GLU A 277 -8.525 -3.697 -4.967 1.00 80.31 C +ATOM 2138 C GLU A 277 -7.989 -2.274 -5.178 1.00 80.31 C +ATOM 2139 CB GLU A 277 -9.619 -3.793 -3.890 1.00 80.31 C +ATOM 2140 O GLU A 277 -8.348 -1.628 -6.160 1.00 80.31 O +ATOM 2141 CG GLU A 277 -10.209 -5.221 -3.770 1.00 80.31 C +ATOM 2142 CD GLU A 277 -9.389 -6.225 -2.930 1.00 80.31 C +ATOM 2143 OE1 GLU A 277 -9.770 -7.416 -2.886 1.00 80.31 O +ATOM 2144 OE2 GLU A 277 -8.338 -5.867 -2.356 1.00 80.31 O +ATOM 2145 N LEU A 278 -7.025 -1.849 -4.353 1.00 85.44 N +ATOM 2146 CA LEU A 278 -6.259 -0.621 -4.581 1.00 85.44 C +ATOM 2147 C LEU A 278 -5.345 -0.747 -5.813 1.00 85.44 C +ATOM 2148 CB LEU A 278 -5.476 -0.260 -3.305 1.00 85.44 C +ATOM 2149 O LEU A 278 -5.258 0.183 -6.608 1.00 85.44 O +ATOM 2150 CG LEU A 278 -4.622 1.017 -3.448 1.00 85.44 C +ATOM 2151 CD1 LEU A 278 -5.436 2.255 -3.831 1.00 85.44 C +ATOM 2152 CD2 LEU A 278 -3.945 1.332 -2.124 1.00 85.44 C +ATOM 2153 N ALA A 279 -4.711 -1.905 -6.032 1.00 91.69 N +ATOM 2154 CA ALA A 279 -3.910 -2.134 -7.237 1.00 91.69 C +ATOM 2155 C ALA A 279 -4.753 -2.041 -8.530 1.00 91.69 C +ATOM 2156 CB ALA A 279 -3.188 -3.484 -7.113 1.00 91.69 C +ATOM 2157 O ALA A 279 -4.301 -1.466 -9.518 1.00 91.69 O +ATOM 2158 N VAL A 280 -5.990 -2.555 -8.523 1.00 90.50 N +ATOM 2159 CA VAL A 280 -6.953 -2.407 -9.630 1.00 90.50 C +ATOM 2160 C VAL A 280 -7.375 -0.948 -9.798 1.00 90.50 C +ATOM 2161 CB VAL A 280 -8.181 -3.322 -9.441 1.00 90.50 C +ATOM 2162 O VAL A 280 -7.346 -0.453 -10.918 1.00 90.50 O +ATOM 2163 CG1 VAL A 280 -9.310 -3.034 -10.438 1.00 90.50 C +ATOM 2164 CG2 VAL A 280 -7.790 -4.790 -9.651 1.00 90.50 C +ATOM 2165 N GLN A 281 -7.688 -0.235 -8.715 1.00 86.94 N +ATOM 2166 CA GLN A 281 -8.062 1.182 -8.769 1.00 86.94 C +ATOM 2167 C GLN A 281 -6.945 2.059 -9.364 1.00 86.94 C +ATOM 2168 CB GLN A 281 -8.402 1.631 -7.344 1.00 86.94 C +ATOM 2169 O GLN A 281 -7.192 2.849 -10.274 1.00 86.94 O +ATOM 2170 CG GLN A 281 -8.894 3.084 -7.272 1.00 86.94 C +ATOM 2171 CD GLN A 281 -8.920 3.614 -5.845 1.00 86.94 C +ATOM 2172 NE2 GLN A 281 -9.318 4.849 -5.657 1.00 86.94 N +ATOM 2173 OE1 GLN A 281 -8.593 2.942 -4.878 1.00 86.94 O +ATOM 2174 N ILE A 282 -5.702 1.900 -8.894 1.00 93.44 N +ATOM 2175 CA ILE A 282 -4.538 2.622 -9.431 1.00 93.44 C +ATOM 2176 C ILE A 282 -4.322 2.259 -10.906 1.00 93.44 C +ATOM 2177 CB ILE A 282 -3.281 2.326 -8.580 1.00 93.44 C +ATOM 2178 O ILE A 282 -3.998 3.129 -11.711 1.00 93.44 O +ATOM 2179 CG1 ILE A 282 -3.424 2.891 -7.147 1.00 93.44 C +ATOM 2180 CG2 ILE A 282 -2.003 2.897 -9.227 1.00 93.44 C +ATOM 2181 CD1 ILE A 282 -2.350 2.385 -6.174 1.00 93.44 C +ATOM 2182 N TYR A 283 -4.525 0.994 -11.283 1.00 96.44 N +ATOM 2183 CA TYR A 283 -4.454 0.550 -12.674 1.00 96.44 C +ATOM 2184 C TYR A 283 -5.549 1.174 -13.555 1.00 96.44 C +ATOM 2185 CB TYR A 283 -4.496 -0.980 -12.696 1.00 96.44 C +ATOM 2186 O TYR A 283 -5.254 1.592 -14.672 1.00 96.44 O +ATOM 2187 CG TYR A 283 -4.698 -1.591 -14.066 1.00 96.44 C +ATOM 2188 CD1 TYR A 283 -5.960 -2.102 -14.428 1.00 96.44 C +ATOM 2189 CD2 TYR A 283 -3.626 -1.642 -14.974 1.00 96.44 C +ATOM 2190 CE1 TYR A 283 -6.148 -2.679 -15.699 1.00 96.44 C +ATOM 2191 CE2 TYR A 283 -3.817 -2.202 -16.250 1.00 96.44 C +ATOM 2192 OH TYR A 283 -5.247 -3.251 -17.854 1.00 96.44 O +ATOM 2193 CZ TYR A 283 -5.075 -2.724 -16.613 1.00 96.44 C +ATOM 2194 N GLU A 284 -6.786 1.288 -13.070 1.00 93.25 N +ATOM 2195 CA GLU A 284 -7.891 1.949 -13.777 1.00 93.25 C +ATOM 2196 C GLU A 284 -7.622 3.449 -13.981 1.00 93.25 C +ATOM 2197 CB GLU A 284 -9.219 1.701 -13.035 1.00 93.25 C +ATOM 2198 O GLU A 284 -7.758 3.939 -15.103 1.00 93.25 O +ATOM 2199 CG GLU A 284 -9.731 0.264 -13.248 1.00 93.25 C +ATOM 2200 CD GLU A 284 -10.984 -0.099 -12.426 1.00 93.25 C +ATOM 2201 OE1 GLU A 284 -11.446 -1.252 -12.591 1.00 93.25 O +ATOM 2202 OE2 GLU A 284 -11.483 0.743 -11.644 1.00 93.25 O +ATOM 2203 N GLU A 285 -7.137 4.165 -12.962 1.00 93.56 N +ATOM 2204 CA GLU A 285 -6.682 5.557 -13.112 1.00 93.56 C +ATOM 2205 C GLU A 285 -5.485 5.664 -14.077 1.00 93.56 C +ATOM 2206 CB GLU A 285 -6.317 6.155 -11.741 1.00 93.56 C +ATOM 2207 O GLU A 285 -5.460 6.526 -14.957 1.00 93.56 O +ATOM 2208 CG GLU A 285 -7.516 6.423 -10.818 1.00 93.56 C +ATOM 2209 CD GLU A 285 -8.489 7.461 -11.397 1.00 93.56 C +ATOM 2210 OE1 GLU A 285 -9.590 7.046 -11.830 1.00 93.56 O +ATOM 2211 OE2 GLU A 285 -8.145 8.667 -11.429 1.00 93.56 O +ATOM 2212 N ALA A 286 -4.518 4.743 -14.002 1.00 97.00 N +ATOM 2213 CA ALA A 286 -3.392 4.708 -14.933 1.00 97.00 C +ATOM 2214 C ALA A 286 -3.848 4.466 -16.380 1.00 97.00 C +ATOM 2215 CB ALA A 286 -2.368 3.666 -14.470 1.00 97.00 C +ATOM 2216 O ALA A 286 -3.275 5.061 -17.292 1.00 97.00 O +ATOM 2217 N ARG A 287 -4.893 3.656 -16.620 1.00 96.38 N +ATOM 2218 CA ARG A 287 -5.510 3.491 -17.951 1.00 96.38 C +ATOM 2219 C ARG A 287 -6.137 4.787 -18.463 1.00 96.38 C +ATOM 2220 CB ARG A 287 -6.586 2.395 -17.948 1.00 96.38 C +ATOM 2221 O ARG A 287 -5.989 5.066 -19.648 1.00 96.38 O +ATOM 2222 CG ARG A 287 -6.056 0.958 -17.865 1.00 96.38 C +ATOM 2223 CD ARG A 287 -7.235 -0.029 -17.836 1.00 96.38 C +ATOM 2224 NE ARG A 287 -7.916 -0.091 -19.144 1.00 96.38 N +ATOM 2225 NH1 ARG A 287 -10.026 -0.859 -18.533 1.00 96.38 N +ATOM 2226 NH2 ARG A 287 -9.567 -0.468 -20.642 1.00 96.38 N +ATOM 2227 CZ ARG A 287 -9.152 -0.474 -19.414 1.00 96.38 C +ATOM 2228 N LYS A 288 -6.789 5.583 -17.606 1.00 95.06 N +ATOM 2229 CA LYS A 288 -7.346 6.897 -17.984 1.00 95.06 C +ATOM 2230 C LYS A 288 -6.240 7.850 -18.440 1.00 95.06 C +ATOM 2231 CB LYS A 288 -8.145 7.510 -16.822 1.00 95.06 C +ATOM 2232 O LYS A 288 -6.296 8.360 -19.552 1.00 95.06 O +ATOM 2233 CG LYS A 288 -9.415 6.718 -16.479 1.00 95.06 C +ATOM 2234 CD LYS A 288 -10.059 7.289 -15.212 1.00 95.06 C +ATOM 2235 CE LYS A 288 -11.169 6.374 -14.697 1.00 95.06 C +ATOM 2236 NZ LYS A 288 -11.722 6.905 -13.433 1.00 95.06 N +ATOM 2237 N PHE A 289 -5.182 8.018 -17.646 1.00 95.62 N +ATOM 2238 CA PHE A 289 -4.080 8.938 -17.979 1.00 95.62 C +ATOM 2239 C PHE A 289 -3.110 8.411 -19.057 1.00 95.62 C +ATOM 2240 CB PHE A 289 -3.354 9.344 -16.690 1.00 95.62 C +ATOM 2241 O PHE A 289 -2.305 9.180 -19.590 1.00 95.62 O +ATOM 2242 CG PHE A 289 -4.265 9.880 -15.598 1.00 95.62 C +ATOM 2243 CD1 PHE A 289 -5.214 10.883 -15.884 1.00 95.62 C +ATOM 2244 CD2 PHE A 289 -4.204 9.325 -14.305 1.00 95.62 C +ATOM 2245 CE1 PHE A 289 -6.132 11.286 -14.899 1.00 95.62 C +ATOM 2246 CE2 PHE A 289 -5.119 9.732 -13.320 1.00 95.62 C +ATOM 2247 CZ PHE A 289 -6.096 10.691 -13.628 1.00 95.62 C +ATOM 2248 N SER A 290 -3.200 7.123 -19.415 1.00 95.81 N +ATOM 2249 CA SER A 290 -2.520 6.512 -20.574 1.00 95.81 C +ATOM 2250 C SER A 290 -3.414 6.253 -21.784 1.00 95.81 C +ATOM 2251 CB SER A 290 -1.686 5.286 -20.184 1.00 95.81 C +ATOM 2252 O SER A 290 -2.958 5.692 -22.784 1.00 95.81 O +ATOM 2253 OG SER A 290 -2.495 4.267 -19.637 1.00 95.81 O +ATOM 2254 N TYR A 291 -4.658 6.736 -21.764 1.00 96.44 N +ATOM 2255 CA TYR A 291 -5.477 6.774 -22.965 1.00 96.44 C +ATOM 2256 C TYR A 291 -4.767 7.583 -24.063 1.00 96.44 C +ATOM 2257 CB TYR A 291 -6.867 7.321 -22.634 1.00 96.44 C +ATOM 2258 O TYR A 291 -4.095 8.581 -23.796 1.00 96.44 O +ATOM 2259 CG TYR A 291 -7.796 7.429 -23.829 1.00 96.44 C +ATOM 2260 CD1 TYR A 291 -8.356 8.678 -24.159 1.00 96.44 C +ATOM 2261 CD2 TYR A 291 -8.108 6.292 -24.603 1.00 96.44 C +ATOM 2262 CE1 TYR A 291 -9.246 8.791 -25.242 1.00 96.44 C +ATOM 2263 CE2 TYR A 291 -8.959 6.415 -25.722 1.00 96.44 C +ATOM 2264 OH TYR A 291 -10.362 7.785 -27.107 1.00 96.44 O +ATOM 2265 CZ TYR A 291 -9.539 7.664 -26.035 1.00 96.44 C +ATOM 2266 N ARG A 292 -4.867 7.093 -25.305 1.00 94.56 N +ATOM 2267 CA ARG A 292 -4.174 7.624 -26.492 1.00 94.56 C +ATOM 2268 C ARG A 292 -2.642 7.723 -26.370 1.00 94.56 C +ATOM 2269 CB ARG A 292 -4.822 8.954 -26.936 1.00 94.56 C +ATOM 2270 O ARG A 292 -2.038 8.453 -27.146 1.00 94.56 O +ATOM 2271 CG ARG A 292 -6.298 8.788 -27.331 1.00 94.56 C +ATOM 2272 CD ARG A 292 -6.959 10.137 -27.630 1.00 94.56 C +ATOM 2273 NE ARG A 292 -6.347 10.780 -28.808 1.00 94.56 N +ATOM 2274 NH1 ARG A 292 -7.013 12.945 -28.399 1.00 94.56 N +ATOM 2275 NH2 ARG A 292 -5.631 12.498 -30.096 1.00 94.56 N +ATOM 2276 CZ ARG A 292 -6.342 12.069 -29.093 1.00 94.56 C +ATOM 2277 N SER A 293 -1.982 6.969 -25.489 1.00 94.88 N +ATOM 2278 CA SER A 293 -0.512 6.934 -25.414 1.00 94.88 C +ATOM 2279 C SER A 293 0.081 5.573 -25.797 1.00 94.88 C +ATOM 2280 CB SER A 293 -0.044 7.437 -24.045 1.00 94.88 C +ATOM 2281 O SER A 293 -0.623 4.573 -25.950 1.00 94.88 O +ATOM 2282 OG SER A 293 0.168 6.389 -23.125 1.00 94.88 O +ATOM 2283 N ARG A 294 1.409 5.530 -25.973 1.00 92.94 N +ATOM 2284 CA ARG A 294 2.181 4.288 -26.182 1.00 92.94 C +ATOM 2285 C ARG A 294 2.553 3.589 -24.861 1.00 92.94 C +ATOM 2286 CB ARG A 294 3.428 4.602 -27.028 1.00 92.94 C +ATOM 2287 O ARG A 294 3.101 2.483 -24.875 1.00 92.94 O +ATOM 2288 CG ARG A 294 3.106 5.013 -28.479 1.00 92.94 C +ATOM 2289 CD ARG A 294 4.397 5.510 -29.144 1.00 92.94 C +ATOM 2290 NE ARG A 294 4.274 5.812 -30.578 1.00 92.94 N +ATOM 2291 NH1 ARG A 294 3.009 7.746 -30.473 1.00 92.94 N +ATOM 2292 NH2 ARG A 294 3.992 7.124 -32.378 1.00 92.94 N +ATOM 2293 CZ ARG A 294 3.748 6.894 -31.126 1.00 92.94 C +ATOM 2294 N VAL A 295 2.269 4.203 -23.708 1.00 95.00 N +ATOM 2295 CA VAL A 295 2.497 3.592 -22.391 1.00 95.00 C +ATOM 2296 C VAL A 295 1.407 2.566 -22.124 1.00 95.00 C +ATOM 2297 CB VAL A 295 2.582 4.638 -21.268 1.00 95.00 C +ATOM 2298 O VAL A 295 0.222 2.867 -22.202 1.00 95.00 O +ATOM 2299 CG1 VAL A 295 2.614 4.026 -19.861 1.00 95.00 C +ATOM 2300 CG2 VAL A 295 3.883 5.429 -21.434 1.00 95.00 C +ATOM 2301 N ARG A 296 1.812 1.341 -21.777 1.00 95.25 N +ATOM 2302 CA ARG A 296 0.886 0.270 -21.421 1.00 95.25 C +ATOM 2303 C ARG A 296 0.973 -0.008 -19.920 1.00 95.25 C +ATOM 2304 CB ARG A 296 1.150 -0.959 -22.304 1.00 95.25 C +ATOM 2305 O ARG A 296 1.995 -0.557 -19.488 1.00 95.25 O +ATOM 2306 CG ARG A 296 0.085 -2.025 -22.030 1.00 95.25 C +ATOM 2307 CD ARG A 296 0.007 -3.072 -23.146 1.00 95.25 C +ATOM 2308 NE ARG A 296 -1.105 -4.000 -22.877 1.00 95.25 N +ATOM 2309 NH1 ARG A 296 -0.018 -5.445 -21.460 1.00 95.25 N +ATOM 2310 NH2 ARG A 296 -2.209 -5.608 -21.732 1.00 95.25 N +ATOM 2311 CZ ARG A 296 -1.096 -5.010 -22.027 1.00 95.25 C +ATOM 2312 N PRO A 297 -0.050 0.354 -19.125 1.00 97.62 N +ATOM 2313 CA PRO A 297 -0.143 -0.094 -17.748 1.00 97.62 C +ATOM 2314 C PRO A 297 -0.482 -1.592 -17.701 1.00 97.62 C +ATOM 2315 CB PRO A 297 -1.208 0.790 -17.094 1.00 97.62 C +ATOM 2316 O PRO A 297 -1.172 -2.114 -18.580 1.00 97.62 O +ATOM 2317 CG PRO A 297 -2.148 1.104 -18.254 1.00 97.62 C +ATOM 2318 CD PRO A 297 -1.206 1.182 -19.458 1.00 97.62 C +ATOM 2319 N CYS A 298 -0.017 -2.281 -16.664 1.00 97.62 N +ATOM 2320 CA CYS A 298 -0.383 -3.655 -16.308 1.00 97.62 C +ATOM 2321 C CYS A 298 -0.633 -3.746 -14.800 1.00 97.62 C +ATOM 2322 CB CYS A 298 0.745 -4.616 -16.699 1.00 97.62 C +ATOM 2323 O CYS A 298 -0.115 -2.929 -14.038 1.00 97.62 O +ATOM 2324 SG CYS A 298 0.888 -4.726 -18.499 1.00 97.62 S +ATOM 2325 N VAL A 299 -1.378 -4.765 -14.363 1.00 97.62 N +ATOM 2326 CA VAL A 299 -1.640 -5.012 -12.940 1.00 97.62 C +ATOM 2327 C VAL A 299 -1.420 -6.476 -12.566 1.00 97.62 C +ATOM 2328 CB VAL A 299 -3.022 -4.475 -12.528 1.00 97.62 C +ATOM 2329 O VAL A 299 -1.859 -7.378 -13.282 1.00 97.62 O +ATOM 2330 CG1 VAL A 299 -4.202 -5.193 -13.194 1.00 97.62 C +ATOM 2331 CG2 VAL A 299 -3.203 -4.503 -11.010 1.00 97.62 C +ATOM 2332 N VAL A 300 -0.741 -6.722 -11.440 1.00 97.00 N +ATOM 2333 CA VAL A 300 -0.507 -8.072 -10.901 1.00 97.00 C +ATOM 2334 C VAL A 300 -0.794 -8.146 -9.401 1.00 97.00 C +ATOM 2335 CB VAL A 300 0.898 -8.616 -11.242 1.00 97.00 C +ATOM 2336 O VAL A 300 -0.294 -7.361 -8.600 1.00 97.00 O +ATOM 2337 CG1 VAL A 300 1.127 -8.661 -12.755 1.00 97.00 C +ATOM 2338 CG2 VAL A 300 2.057 -7.842 -10.604 1.00 97.00 C +ATOM 2339 N TYR A 301 -1.607 -9.117 -8.996 1.00 94.56 N +ATOM 2340 CA TYR A 301 -2.012 -9.297 -7.598 1.00 94.56 C +ATOM 2341 C TYR A 301 -2.284 -10.758 -7.236 1.00 94.56 C +ATOM 2342 CB TYR A 301 -3.225 -8.406 -7.285 1.00 94.56 C +ATOM 2343 O TYR A 301 -2.548 -11.585 -8.114 1.00 94.56 O +ATOM 2344 CG TYR A 301 -4.311 -8.436 -8.340 1.00 94.56 C +ATOM 2345 CD1 TYR A 301 -4.597 -7.269 -9.072 1.00 94.56 C +ATOM 2346 CD2 TYR A 301 -4.998 -9.629 -8.634 1.00 94.56 C +ATOM 2347 CE1 TYR A 301 -5.556 -7.293 -10.101 1.00 94.56 C +ATOM 2348 CE2 TYR A 301 -5.937 -9.656 -9.678 1.00 94.56 C +ATOM 2349 OH TYR A 301 -7.200 -8.538 -11.350 1.00 94.56 O +ATOM 2350 CZ TYR A 301 -6.243 -8.487 -10.391 1.00 94.56 C +ATOM 2351 N GLY A 302 -2.238 -11.066 -5.937 1.00 88.38 N +ATOM 2352 CA GLY A 302 -2.628 -12.367 -5.382 1.00 88.38 C +ATOM 2353 C GLY A 302 -4.109 -12.723 -5.604 1.00 88.38 C +ATOM 2354 O GLY A 302 -4.923 -11.885 -6.000 1.00 88.38 O +ATOM 2355 N GLY A 303 -4.468 -13.991 -5.377 1.00 82.81 N +ATOM 2356 CA GLY A 303 -5.858 -14.465 -5.496 1.00 82.81 C +ATOM 2357 C GLY A 303 -6.436 -14.462 -6.923 1.00 82.81 C +ATOM 2358 O GLY A 303 -7.650 -14.408 -7.101 1.00 82.81 O +ATOM 2359 N ALA A 304 -5.598 -14.469 -7.962 1.00 86.19 N +ATOM 2360 CA ALA A 304 -6.011 -14.626 -9.363 1.00 86.19 C +ATOM 2361 C ALA A 304 -5.065 -15.544 -10.137 1.00 86.19 C +ATOM 2362 CB ALA A 304 -6.071 -13.261 -10.062 1.00 86.19 C +ATOM 2363 O ALA A 304 -3.879 -15.637 -9.792 1.00 86.19 O +ATOM 2364 N ASP A 305 -5.586 -16.128 -11.227 1.00 90.94 N +ATOM 2365 CA ASP A 305 -4.810 -16.899 -12.203 1.00 90.94 C +ATOM 2366 C ASP A 305 -3.570 -16.117 -12.645 1.00 90.94 C +ATOM 2367 CB ASP A 305 -5.649 -17.293 -13.439 1.00 90.94 C +ATOM 2368 O ASP A 305 -3.644 -15.068 -13.295 1.00 90.94 O +ATOM 2369 CG ASP A 305 -4.780 -17.992 -14.506 1.00 90.94 C +ATOM 2370 OD1 ASP A 305 -3.851 -18.728 -14.110 1.00 90.94 O +ATOM 2371 OD2 ASP A 305 -4.936 -17.712 -15.721 1.00 90.94 O +ATOM 2372 N ILE A 306 -2.410 -16.664 -12.295 1.00 93.62 N +ATOM 2373 CA ILE A 306 -1.123 -16.123 -12.703 1.00 93.62 C +ATOM 2374 C ILE A 306 -0.918 -16.264 -14.216 1.00 93.62 C +ATOM 2375 CB ILE A 306 -0.009 -16.795 -11.880 1.00 93.62 C +ATOM 2376 O ILE A 306 -0.275 -15.413 -14.823 1.00 93.62 O +ATOM 2377 CG1 ILE A 306 1.268 -15.943 -11.993 1.00 93.62 C +ATOM 2378 CG2 ILE A 306 0.198 -18.275 -12.264 1.00 93.62 C +ATOM 2379 CD1 ILE A 306 2.463 -16.558 -11.277 1.00 93.62 C +ATOM 2380 N GLY A 307 -1.508 -17.279 -14.859 1.00 94.25 N +ATOM 2381 CA GLY A 307 -1.414 -17.481 -16.301 1.00 94.25 C +ATOM 2382 C GLY A 307 -1.992 -16.305 -17.089 1.00 94.25 C +ATOM 2383 O GLY A 307 -1.372 -15.844 -18.046 1.00 94.25 O +ATOM 2384 N GLN A 308 -3.149 -15.788 -16.672 1.00 94.38 N +ATOM 2385 CA GLN A 308 -3.794 -14.611 -17.255 1.00 94.38 C +ATOM 2386 C GLN A 308 -2.922 -13.362 -17.097 1.00 94.38 C +ATOM 2387 CB GLN A 308 -5.178 -14.431 -16.601 1.00 94.38 C +ATOM 2388 O GLN A 308 -2.709 -12.651 -18.076 1.00 94.38 O +ATOM 2389 CG GLN A 308 -6.082 -13.398 -17.296 1.00 94.38 C +ATOM 2390 CD GLN A 308 -6.706 -13.876 -18.609 1.00 94.38 C +ATOM 2391 NE2 GLN A 308 -7.609 -13.112 -19.180 1.00 94.38 N +ATOM 2392 OE1 GLN A 308 -6.399 -14.925 -19.162 1.00 94.38 O +ATOM 2393 N GLN A 309 -2.368 -13.137 -15.901 1.00 95.12 N +ATOM 2394 CA GLN A 309 -1.473 -12.007 -15.630 1.00 95.12 C +ATOM 2395 C GLN A 309 -0.165 -12.102 -16.435 1.00 95.12 C +ATOM 2396 CB GLN A 309 -1.194 -11.922 -14.121 1.00 95.12 C +ATOM 2397 O GLN A 309 0.250 -11.116 -17.034 1.00 95.12 O +ATOM 2398 CG GLN A 309 -2.411 -11.453 -13.300 1.00 95.12 C +ATOM 2399 CD GLN A 309 -2.150 -11.451 -11.793 1.00 95.12 C +ATOM 2400 NE2 GLN A 309 -3.158 -11.262 -10.970 1.00 95.12 N +ATOM 2401 OE1 GLN A 309 -1.047 -11.652 -11.306 1.00 95.12 O +ATOM 2402 N ILE A 310 0.446 -13.289 -16.543 1.00 94.31 N +ATOM 2403 CA ILE A 310 1.632 -13.523 -17.386 1.00 94.31 C +ATOM 2404 C ILE A 310 1.316 -13.214 -18.852 1.00 94.31 C +ATOM 2405 CB ILE A 310 2.169 -14.964 -17.202 1.00 94.31 C +ATOM 2406 O ILE A 310 2.036 -12.437 -19.473 1.00 94.31 O +ATOM 2407 CG1 ILE A 310 2.832 -15.097 -15.814 1.00 94.31 C +ATOM 2408 CG2 ILE A 310 3.185 -15.341 -18.300 1.00 94.31 C +ATOM 2409 CD1 ILE A 310 3.173 -16.535 -15.396 1.00 94.31 C +ATOM 2410 N ARG A 311 0.225 -13.768 -19.403 1.00 93.75 N +ATOM 2411 CA ARG A 311 -0.197 -13.498 -20.790 1.00 93.75 C +ATOM 2412 C ARG A 311 -0.443 -12.013 -21.045 1.00 93.75 C +ATOM 2413 CB ARG A 311 -1.482 -14.270 -21.127 1.00 93.75 C +ATOM 2414 O ARG A 311 -0.269 -11.567 -22.177 1.00 93.75 O +ATOM 2415 CG ARG A 311 -1.251 -15.769 -21.356 1.00 93.75 C +ATOM 2416 CD ARG A 311 -2.548 -16.485 -21.779 1.00 93.75 C +ATOM 2417 NE ARG A 311 -3.622 -16.452 -20.754 1.00 93.75 N +ATOM 2418 NH1 ARG A 311 -3.002 -18.289 -19.513 1.00 93.75 N +ATOM 2419 NH2 ARG A 311 -4.851 -17.203 -18.973 1.00 93.75 N +ATOM 2420 CZ ARG A 311 -3.820 -17.308 -19.761 1.00 93.75 C +ATOM 2421 N ASP A 312 -0.875 -11.265 -20.030 1.00 94.12 N +ATOM 2422 CA ASP A 312 -1.090 -9.831 -20.164 1.00 94.12 C +ATOM 2423 C ASP A 312 0.209 -9.022 -20.088 1.00 94.12 C +ATOM 2424 CB ASP A 312 -2.150 -9.333 -19.177 1.00 94.12 C +ATOM 2425 O ASP A 312 0.409 -8.139 -20.920 1.00 94.12 O +ATOM 2426 CG ASP A 312 -2.696 -8.021 -19.728 1.00 94.12 C +ATOM 2427 OD1 ASP A 312 -3.307 -8.069 -20.826 1.00 94.12 O +ATOM 2428 OD2 ASP A 312 -2.384 -6.943 -19.189 1.00 94.12 O +ATOM 2429 N LEU A 313 1.137 -9.374 -19.192 1.00 94.06 N +ATOM 2430 CA LEU A 313 2.487 -8.800 -19.160 1.00 94.06 C +ATOM 2431 C LEU A 313 3.228 -9.022 -20.486 1.00 94.06 C +ATOM 2432 CB LEU A 313 3.295 -9.430 -18.010 1.00 94.06 C +ATOM 2433 O LEU A 313 3.829 -8.096 -21.022 1.00 94.06 O +ATOM 2434 CG LEU A 313 2.889 -9.005 -16.589 1.00 94.06 C +ATOM 2435 CD1 LEU A 313 3.732 -9.808 -15.595 1.00 94.06 C +ATOM 2436 CD2 LEU A 313 3.118 -7.513 -16.353 1.00 94.06 C +ATOM 2437 N GLU A 314 3.153 -10.225 -21.063 1.00 90.94 N +ATOM 2438 CA GLU A 314 3.846 -10.587 -22.312 1.00 90.94 C +ATOM 2439 C GLU A 314 3.424 -9.744 -23.538 1.00 90.94 C +ATOM 2440 CB GLU A 314 3.683 -12.096 -22.583 1.00 90.94 C +ATOM 2441 O GLU A 314 4.118 -9.761 -24.556 1.00 90.94 O +ATOM 2442 CG GLU A 314 4.489 -12.954 -21.587 1.00 90.94 C +ATOM 2443 CD GLU A 314 4.381 -14.473 -21.822 1.00 90.94 C +ATOM 2444 OE1 GLU A 314 5.149 -15.213 -21.151 1.00 90.94 O +ATOM 2445 OE2 GLU A 314 3.529 -14.931 -22.618 1.00 90.94 O +ATOM 2446 N ARG A 315 2.337 -8.963 -23.440 1.00 89.62 N +ATOM 2447 CA ARG A 315 1.895 -7.985 -24.456 1.00 89.62 C +ATOM 2448 C ARG A 315 2.622 -6.633 -24.380 1.00 89.62 C +ATOM 2449 CB ARG A 315 0.382 -7.761 -24.325 1.00 89.62 C +ATOM 2450 O ARG A 315 2.391 -5.793 -25.245 1.00 89.62 O +ATOM 2451 CG ARG A 315 -0.448 -9.021 -24.586 1.00 89.62 C +ATOM 2452 CD ARG A 315 -1.874 -8.785 -24.088 1.00 89.62 C +ATOM 2453 NE ARG A 315 -2.742 -9.935 -24.384 1.00 89.62 N +ATOM 2454 NH1 ARG A 315 -4.490 -9.333 -23.011 1.00 89.62 N +ATOM 2455 NH2 ARG A 315 -4.713 -11.058 -24.409 1.00 89.62 N +ATOM 2456 CZ ARG A 315 -3.969 -10.099 -23.930 1.00 89.62 C +ATOM 2457 N GLY A 316 3.468 -6.418 -23.373 1.00 90.25 N +ATOM 2458 CA GLY A 316 4.184 -5.165 -23.120 1.00 90.25 C +ATOM 2459 C GLY A 316 3.742 -4.512 -21.810 1.00 90.25 C +ATOM 2460 O GLY A 316 2.545 -4.341 -21.582 1.00 90.25 O +ATOM 2461 N CYS A 317 4.693 -4.125 -20.960 1.00 94.25 N +ATOM 2462 CA CYS A 317 4.424 -3.454 -19.686 1.00 94.25 C +ATOM 2463 C CYS A 317 5.397 -2.289 -19.471 1.00 94.25 C +ATOM 2464 CB CYS A 317 4.525 -4.495 -18.566 1.00 94.25 C +ATOM 2465 O CYS A 317 6.596 -2.506 -19.316 1.00 94.25 O +ATOM 2466 SG CYS A 317 4.251 -3.692 -16.964 1.00 94.25 S +ATOM 2467 N HIS A 318 4.873 -1.062 -19.427 1.00 95.00 N +ATOM 2468 CA HIS A 318 5.656 0.164 -19.217 1.00 95.00 C +ATOM 2469 C HIS A 318 5.439 0.752 -17.811 1.00 95.00 C +ATOM 2470 CB HIS A 318 5.307 1.165 -20.335 1.00 95.00 C +ATOM 2471 O HIS A 318 6.385 1.253 -17.205 1.00 95.00 O +ATOM 2472 CG HIS A 318 5.576 0.659 -21.738 1.00 95.00 C +ATOM 2473 CD2 HIS A 318 6.604 -0.165 -22.121 1.00 95.00 C +ATOM 2474 ND1 HIS A 318 4.845 0.930 -22.881 1.00 95.00 N +ATOM 2475 CE1 HIS A 318 5.408 0.278 -23.906 1.00 95.00 C +ATOM 2476 NE2 HIS A 318 6.482 -0.408 -23.493 1.00 95.00 N +ATOM 2477 N LEU A 319 4.224 0.619 -17.268 1.00 97.81 N +ATOM 2478 CA LEU A 319 3.877 0.930 -15.879 1.00 97.81 C +ATOM 2479 C LEU A 319 3.277 -0.329 -15.246 1.00 97.81 C +ATOM 2480 CB LEU A 319 2.940 2.156 -15.863 1.00 97.81 C +ATOM 2481 O LEU A 319 2.288 -0.858 -15.750 1.00 97.81 O +ATOM 2482 CG LEU A 319 2.552 2.682 -14.462 1.00 97.81 C +ATOM 2483 CD1 LEU A 319 2.096 4.138 -14.577 1.00 97.81 C +ATOM 2484 CD2 LEU A 319 1.397 1.911 -13.814 1.00 97.81 C +ATOM 2485 N LEU A 320 3.868 -0.822 -14.161 1.00 98.31 N +ATOM 2486 CA LEU A 320 3.379 -1.996 -13.442 1.00 98.31 C +ATOM 2487 C LEU A 320 2.778 -1.583 -12.102 1.00 98.31 C +ATOM 2488 CB LEU A 320 4.534 -2.997 -13.272 1.00 98.31 C +ATOM 2489 O LEU A 320 3.479 -1.018 -11.271 1.00 98.31 O +ATOM 2490 CG LEU A 320 4.133 -4.318 -12.590 1.00 98.31 C +ATOM 2491 CD1 LEU A 320 3.000 -5.037 -13.326 1.00 98.31 C +ATOM 2492 CD2 LEU A 320 5.339 -5.256 -12.571 1.00 98.31 C +ATOM 2493 N VAL A 321 1.511 -1.915 -11.868 1.00 98.44 N +ATOM 2494 CA VAL A 321 0.900 -1.844 -10.536 1.00 98.44 C +ATOM 2495 C VAL A 321 0.912 -3.243 -9.923 1.00 98.44 C +ATOM 2496 CB VAL A 321 -0.520 -1.255 -10.575 1.00 98.44 C +ATOM 2497 O VAL A 321 0.481 -4.201 -10.569 1.00 98.44 O +ATOM 2498 CG1 VAL A 321 -0.974 -0.938 -9.148 1.00 98.44 C +ATOM 2499 CG2 VAL A 321 -0.604 0.038 -11.397 1.00 98.44 C +ATOM 2500 N ALA A 322 1.415 -3.399 -8.700 1.00 97.75 N +ATOM 2501 CA ALA A 322 1.594 -4.717 -8.104 1.00 97.75 C +ATOM 2502 C ALA A 322 1.343 -4.776 -6.593 1.00 97.75 C +ATOM 2503 CB ALA A 322 3.000 -5.222 -8.439 1.00 97.75 C +ATOM 2504 O ALA A 322 1.739 -3.888 -5.844 1.00 97.75 O +ATOM 2505 N THR A 323 0.783 -5.894 -6.122 1.00 96.12 N +ATOM 2506 CA THR A 323 0.928 -6.283 -4.706 1.00 96.12 C +ATOM 2507 C THR A 323 2.295 -6.946 -4.490 1.00 96.12 C +ATOM 2508 CB THR A 323 -0.173 -7.236 -4.225 1.00 96.12 C +ATOM 2509 O THR A 323 2.618 -7.842 -5.284 1.00 96.12 O +ATOM 2510 CG2 THR A 323 -1.573 -6.643 -4.363 1.00 96.12 C +ATOM 2511 OG1 THR A 323 -0.108 -8.440 -4.960 1.00 96.12 O +ATOM 2512 N PRO A 324 3.065 -6.617 -3.431 1.00 96.12 N +ATOM 2513 CA PRO A 324 4.443 -7.091 -3.252 1.00 96.12 C +ATOM 2514 C PRO A 324 4.636 -8.607 -3.429 1.00 96.12 C +ATOM 2515 CB PRO A 324 4.854 -6.616 -1.853 1.00 96.12 C +ATOM 2516 O PRO A 324 5.490 -9.027 -4.206 1.00 96.12 O +ATOM 2517 CG PRO A 324 4.068 -5.317 -1.692 1.00 96.12 C +ATOM 2518 CD PRO A 324 2.754 -5.615 -2.412 1.00 96.12 C +ATOM 2519 N GLY A 325 3.799 -9.441 -2.799 1.00 94.94 N +ATOM 2520 CA GLY A 325 3.927 -10.903 -2.889 1.00 94.94 C +ATOM 2521 C GLY A 325 3.812 -11.461 -4.316 1.00 94.94 C +ATOM 2522 O GLY A 325 4.629 -12.282 -4.725 1.00 94.94 O +ATOM 2523 N ARG A 326 2.850 -10.975 -5.117 1.00 95.75 N +ATOM 2524 CA ARG A 326 2.710 -11.402 -6.524 1.00 95.75 C +ATOM 2525 C ARG A 326 3.820 -10.839 -7.417 1.00 95.75 C +ATOM 2526 CB ARG A 326 1.302 -11.069 -7.054 1.00 95.75 C +ATOM 2527 O ARG A 326 4.139 -11.461 -8.427 1.00 95.75 O +ATOM 2528 CG ARG A 326 1.033 -11.517 -8.507 1.00 95.75 C +ATOM 2529 CD ARG A 326 1.200 -13.016 -8.801 1.00 95.75 C +ATOM 2530 NE ARG A 326 0.223 -13.875 -8.099 1.00 95.75 N +ATOM 2531 NH1 ARG A 326 -1.471 -13.892 -9.679 1.00 95.75 N +ATOM 2532 NH2 ARG A 326 -1.603 -15.246 -7.956 1.00 95.75 N +ATOM 2533 CZ ARG A 326 -0.934 -14.313 -8.572 1.00 95.75 C +ATOM 2534 N LEU A 327 4.419 -9.696 -7.069 1.00 97.56 N +ATOM 2535 CA LEU A 327 5.558 -9.170 -7.821 1.00 97.56 C +ATOM 2536 C LEU A 327 6.794 -10.061 -7.671 1.00 97.56 C +ATOM 2537 CB LEU A 327 5.866 -7.727 -7.401 1.00 97.56 C +ATOM 2538 O LEU A 327 7.407 -10.393 -8.682 1.00 97.56 O +ATOM 2539 CG LEU A 327 6.971 -7.090 -8.264 1.00 97.56 C +ATOM 2540 CD1 LEU A 327 6.617 -7.039 -9.751 1.00 97.56 C +ATOM 2541 CD2 LEU A 327 7.210 -5.664 -7.803 1.00 97.56 C +ATOM 2542 N VAL A 328 7.114 -10.487 -6.444 1.00 96.94 N +ATOM 2543 CA VAL A 328 8.242 -11.396 -6.173 1.00 96.94 C +ATOM 2544 C VAL A 328 8.099 -12.692 -6.982 1.00 96.94 C +ATOM 2545 CB VAL A 328 8.380 -11.666 -4.660 1.00 96.94 C +ATOM 2546 O VAL A 328 9.012 -13.047 -7.720 1.00 96.94 O +ATOM 2547 CG1 VAL A 328 9.470 -12.696 -4.346 1.00 96.94 C +ATOM 2548 CG2 VAL A 328 8.753 -10.379 -3.906 1.00 96.94 C +ATOM 2549 N ASP A 329 6.917 -13.313 -6.976 1.00 95.62 N +ATOM 2550 CA ASP A 329 6.597 -14.509 -7.778 1.00 95.62 C +ATOM 2551 C ASP A 329 6.796 -14.284 -9.301 1.00 95.62 C +ATOM 2552 CB ASP A 329 5.146 -14.878 -7.411 1.00 95.62 C +ATOM 2553 O ASP A 329 7.329 -15.133 -10.020 1.00 95.62 O +ATOM 2554 CG ASP A 329 4.572 -16.127 -8.082 1.00 95.62 C +ATOM 2555 OD1 ASP A 329 5.320 -17.060 -8.442 1.00 95.62 O +ATOM 2556 OD2 ASP A 329 3.337 -16.164 -8.270 1.00 95.62 O +ATOM 2557 N MET A 330 6.451 -13.099 -9.823 1.00 95.00 N +ATOM 2558 CA MET A 330 6.719 -12.738 -11.227 1.00 95.00 C +ATOM 2559 C MET A 330 8.211 -12.490 -11.520 1.00 95.00 C +ATOM 2560 CB MET A 330 5.902 -11.500 -11.623 1.00 95.00 C +ATOM 2561 O MET A 330 8.670 -12.766 -12.633 1.00 95.00 O +ATOM 2562 CG MET A 330 4.394 -11.754 -11.699 1.00 95.00 C +ATOM 2563 SD MET A 330 3.854 -12.820 -13.065 1.00 95.00 S +ATOM 2564 CE MET A 330 2.074 -12.528 -12.918 1.00 95.00 C +ATOM 2565 N MET A 331 8.975 -11.975 -10.555 1.00 95.19 N +ATOM 2566 CA MET A 331 10.424 -11.765 -10.676 1.00 95.19 C +ATOM 2567 C MET A 331 11.179 -13.101 -10.645 1.00 95.19 C +ATOM 2568 CB MET A 331 10.912 -10.819 -9.568 1.00 95.19 C +ATOM 2569 O MET A 331 11.992 -13.360 -11.531 1.00 95.19 O +ATOM 2570 CG MET A 331 10.406 -9.385 -9.775 1.00 95.19 C +ATOM 2571 SD MET A 331 10.578 -8.300 -8.332 1.00 95.19 S +ATOM 2572 CE MET A 331 12.376 -8.284 -8.129 1.00 95.19 C +ATOM 2573 N GLU A 332 10.837 -13.996 -9.715 1.00 94.38 N +ATOM 2574 CA GLU A 332 11.422 -15.341 -9.586 1.00 94.38 C +ATOM 2575 C GLU A 332 11.169 -16.212 -10.827 1.00 94.38 C +ATOM 2576 CB GLU A 332 10.849 -16.022 -8.333 1.00 94.38 C +ATOM 2577 O GLU A 332 12.055 -16.936 -11.282 1.00 94.38 O +ATOM 2578 CG GLU A 332 11.405 -15.391 -7.046 1.00 94.38 C +ATOM 2579 CD GLU A 332 10.822 -15.994 -5.759 1.00 94.38 C +ATOM 2580 OE1 GLU A 332 11.339 -15.612 -4.684 1.00 94.38 O +ATOM 2581 OE2 GLU A 332 9.885 -16.819 -5.852 1.00 94.38 O +ATOM 2582 N ARG A 333 9.999 -16.074 -11.466 1.00 92.69 N +ATOM 2583 CA ARG A 333 9.694 -16.709 -12.766 1.00 92.69 C +ATOM 2584 C ARG A 333 10.401 -16.065 -13.964 1.00 92.69 C +ATOM 2585 CB ARG A 333 8.176 -16.724 -12.979 1.00 92.69 C +ATOM 2586 O ARG A 333 10.177 -16.491 -15.101 1.00 92.69 O +ATOM 2587 CG ARG A 333 7.487 -17.671 -11.995 1.00 92.69 C +ATOM 2588 CD ARG A 333 5.972 -17.551 -12.143 1.00 92.69 C +ATOM 2589 NE ARG A 333 5.326 -18.065 -10.941 1.00 92.69 N +ATOM 2590 NH1 ARG A 333 4.567 -20.138 -11.584 1.00 92.69 N +ATOM 2591 NH2 ARG A 333 4.215 -19.359 -9.507 1.00 92.69 N +ATOM 2592 CZ ARG A 333 4.705 -19.193 -10.694 1.00 92.69 C +ATOM 2593 N GLY A 334 11.196 -15.016 -13.751 1.00 92.12 N +ATOM 2594 CA GLY A 334 11.868 -14.260 -14.807 1.00 92.12 C +ATOM 2595 C GLY A 334 10.907 -13.529 -15.750 1.00 92.12 C +ATOM 2596 O GLY A 334 11.246 -13.324 -16.915 1.00 92.12 O +ATOM 2597 N LYS A 335 9.703 -13.168 -15.280 1.00 93.50 N +ATOM 2598 CA LYS A 335 8.682 -12.444 -16.060 1.00 93.50 C +ATOM 2599 C LYS A 335 8.810 -10.929 -15.945 1.00 93.50 C +ATOM 2600 CB LYS A 335 7.267 -12.900 -15.656 1.00 93.50 C +ATOM 2601 O LYS A 335 8.499 -10.233 -16.908 1.00 93.50 O +ATOM 2602 CG LYS A 335 6.992 -14.387 -15.924 1.00 93.50 C +ATOM 2603 CD LYS A 335 7.101 -14.707 -17.417 1.00 93.50 C +ATOM 2604 CE LYS A 335 6.567 -16.098 -17.730 1.00 93.50 C +ATOM 2605 NZ LYS A 335 6.515 -16.298 -19.195 1.00 93.50 N +ATOM 2606 N ILE A 336 9.320 -10.430 -14.821 1.00 95.31 N +ATOM 2607 CA ILE A 336 9.632 -9.012 -14.590 1.00 95.31 C +ATOM 2608 C ILE A 336 11.130 -8.843 -14.313 1.00 95.31 C +ATOM 2609 CB ILE A 336 8.757 -8.450 -13.445 1.00 95.31 C +ATOM 2610 O ILE A 336 11.743 -9.682 -13.657 1.00 95.31 O +ATOM 2611 CG1 ILE A 336 7.248 -8.477 -13.780 1.00 95.31 C +ATOM 2612 CG2 ILE A 336 9.173 -7.022 -13.047 1.00 95.31 C +ATOM 2613 CD1 ILE A 336 6.828 -7.670 -15.015 1.00 95.31 C +ATOM 2614 N GLY A 337 11.725 -7.770 -14.834 1.00 94.06 N +ATOM 2615 CA GLY A 337 13.013 -7.215 -14.408 1.00 94.06 C +ATOM 2616 C GLY A 337 12.841 -5.756 -14.025 1.00 94.06 C +ATOM 2617 O GLY A 337 12.002 -5.070 -14.607 1.00 94.06 O +ATOM 2618 N LEU A 338 13.603 -5.294 -13.038 1.00 95.81 N +ATOM 2619 CA LEU A 338 13.500 -3.930 -12.513 1.00 95.81 C +ATOM 2620 C LEU A 338 14.699 -3.064 -12.918 1.00 95.81 C +ATOM 2621 CB LEU A 338 13.230 -3.987 -10.999 1.00 95.81 C +ATOM 2622 O LEU A 338 14.773 -1.905 -12.527 1.00 95.81 O +ATOM 2623 CG LEU A 338 11.933 -4.748 -10.644 1.00 95.81 C +ATOM 2624 CD1 LEU A 338 11.753 -4.817 -9.135 1.00 95.81 C +ATOM 2625 CD2 LEU A 338 10.674 -4.091 -11.224 1.00 95.81 C +ATOM 2626 N ASP A 339 15.568 -3.601 -13.778 1.00 93.31 N +ATOM 2627 CA ASP A 339 16.814 -3.027 -14.295 1.00 93.31 C +ATOM 2628 C ASP A 339 16.653 -1.599 -14.867 1.00 93.31 C +ATOM 2629 CB ASP A 339 17.351 -3.972 -15.397 1.00 93.31 C +ATOM 2630 O ASP A 339 17.578 -0.789 -14.812 1.00 93.31 O +ATOM 2631 CG ASP A 339 17.335 -5.486 -15.079 1.00 93.31 C +ATOM 2632 OD1 ASP A 339 18.397 -6.131 -15.211 1.00 93.31 O +ATOM 2633 OD2 ASP A 339 16.233 -6.060 -14.866 1.00 93.31 O +ATOM 2634 N PHE A 340 15.466 -1.274 -15.399 1.00 92.31 N +ATOM 2635 CA PHE A 340 15.127 0.033 -15.984 1.00 92.31 C +ATOM 2636 C PHE A 340 14.024 0.787 -15.220 1.00 92.31 C +ATOM 2637 CB PHE A 340 14.802 -0.130 -17.481 1.00 92.31 C +ATOM 2638 O PHE A 340 13.489 1.775 -15.724 1.00 92.31 O +ATOM 2639 CG PHE A 340 15.842 -0.903 -18.276 1.00 92.31 C +ATOM 2640 CD1 PHE A 340 17.209 -0.577 -18.173 1.00 92.31 C +ATOM 2641 CD2 PHE A 340 15.448 -1.981 -19.089 1.00 92.31 C +ATOM 2642 CE1 PHE A 340 18.172 -1.346 -18.846 1.00 92.31 C +ATOM 2643 CE2 PHE A 340 16.411 -2.758 -19.754 1.00 92.31 C +ATOM 2644 CZ PHE A 340 17.775 -2.442 -19.629 1.00 92.31 C +ATOM 2645 N CYS A 341 13.691 0.351 -14.001 1.00 95.56 N +ATOM 2646 CA CYS A 341 12.687 0.999 -13.163 1.00 95.56 C +ATOM 2647 C CYS A 341 13.199 2.368 -12.685 1.00 95.56 C +ATOM 2648 CB CYS A 341 12.322 0.059 -12.008 1.00 95.56 C +ATOM 2649 O CYS A 341 14.066 2.462 -11.814 1.00 95.56 O +ATOM 2650 SG CYS A 341 10.996 0.791 -11.008 1.00 95.56 S +ATOM 2651 N LYS A 342 12.652 3.437 -13.268 1.00 96.00 N +ATOM 2652 CA LYS A 342 12.995 4.836 -12.985 1.00 96.00 C +ATOM 2653 C LYS A 342 12.095 5.490 -11.947 1.00 96.00 C +ATOM 2654 CB LYS A 342 12.967 5.635 -14.302 1.00 96.00 C +ATOM 2655 O LYS A 342 12.558 6.396 -11.263 1.00 96.00 O +ATOM 2656 CG LYS A 342 14.226 5.422 -15.156 1.00 96.00 C +ATOM 2657 CD LYS A 342 15.424 6.137 -14.517 1.00 96.00 C +ATOM 2658 CE LYS A 342 16.725 5.923 -15.284 1.00 96.00 C +ATOM 2659 NZ LYS A 342 17.820 6.626 -14.569 1.00 96.00 N +ATOM 2660 N TYR A 343 10.854 5.026 -11.813 1.00 98.06 N +ATOM 2661 CA TYR A 343 9.875 5.582 -10.879 1.00 98.06 C +ATOM 2662 C TYR A 343 9.331 4.476 -9.978 1.00 98.06 C +ATOM 2663 CB TYR A 343 8.747 6.278 -11.656 1.00 98.06 C +ATOM 2664 O TYR A 343 8.644 3.577 -10.463 1.00 98.06 O +ATOM 2665 CG TYR A 343 9.228 7.330 -12.634 1.00 98.06 C +ATOM 2666 CD1 TYR A 343 9.471 8.646 -12.195 1.00 98.06 C +ATOM 2667 CD2 TYR A 343 9.454 6.980 -13.981 1.00 98.06 C +ATOM 2668 CE1 TYR A 343 9.958 9.609 -13.100 1.00 98.06 C +ATOM 2669 CE2 TYR A 343 9.953 7.936 -14.886 1.00 98.06 C +ATOM 2670 OH TYR A 343 10.766 10.165 -15.277 1.00 98.06 O +ATOM 2671 CZ TYR A 343 10.219 9.249 -14.439 1.00 98.06 C +ATOM 2672 N LEU A 344 9.626 4.549 -8.681 1.00 98.31 N +ATOM 2673 CA LEU A 344 9.099 3.640 -7.663 1.00 98.31 C +ATOM 2674 C LEU A 344 8.075 4.383 -6.801 1.00 98.31 C +ATOM 2675 CB LEU A 344 10.273 3.081 -6.835 1.00 98.31 C +ATOM 2676 O LEU A 344 8.422 5.363 -6.150 1.00 98.31 O +ATOM 2677 CG LEU A 344 9.835 2.270 -5.599 1.00 98.31 C +ATOM 2678 CD1 LEU A 344 9.027 1.025 -5.972 1.00 98.31 C +ATOM 2679 CD2 LEU A 344 11.054 1.836 -4.788 1.00 98.31 C +ATOM 2680 N VAL A 345 6.836 3.900 -6.755 1.00 98.19 N +ATOM 2681 CA VAL A 345 5.784 4.430 -5.877 1.00 98.19 C +ATOM 2682 C VAL A 345 5.363 3.360 -4.873 1.00 98.19 C +ATOM 2683 CB VAL A 345 4.577 4.952 -6.676 1.00 98.19 C +ATOM 2684 O VAL A 345 5.130 2.216 -5.254 1.00 98.19 O +ATOM 2685 CG1 VAL A 345 3.548 5.623 -5.758 1.00 98.19 C +ATOM 2686 CG2 VAL A 345 4.982 5.968 -7.752 1.00 98.19 C +ATOM 2687 N LEU A 346 5.239 3.728 -3.600 1.00 97.31 N +ATOM 2688 CA LEU A 346 4.617 2.920 -2.551 1.00 97.31 C +ATOM 2689 C LEU A 346 3.367 3.667 -2.071 1.00 97.31 C +ATOM 2690 CB LEU A 346 5.602 2.702 -1.381 1.00 97.31 C +ATOM 2691 O LEU A 346 3.509 4.693 -1.409 1.00 97.31 O +ATOM 2692 CG LEU A 346 6.790 1.750 -1.624 1.00 97.31 C +ATOM 2693 CD1 LEU A 346 7.929 2.390 -2.419 1.00 97.31 C +ATOM 2694 CD2 LEU A 346 7.386 1.311 -0.284 1.00 97.31 C +ATOM 2695 N ASP A 347 2.165 3.187 -2.402 1.00 94.25 N +ATOM 2696 CA ASP A 347 0.907 3.776 -1.911 1.00 94.25 C +ATOM 2697 C ASP A 347 0.310 2.941 -0.772 1.00 94.25 C +ATOM 2698 CB ASP A 347 -0.089 4.031 -3.059 1.00 94.25 C +ATOM 2699 O ASP A 347 0.347 1.712 -0.813 1.00 94.25 O +ATOM 2700 CG ASP A 347 -1.230 5.007 -2.699 1.00 94.25 C +ATOM 2701 OD1 ASP A 347 -1.187 5.659 -1.620 1.00 94.25 O +ATOM 2702 OD2 ASP A 347 -2.150 5.158 -3.533 1.00 94.25 O +ATOM 2703 N GLU A 348 -0.211 3.624 0.252 1.00 89.31 N +ATOM 2704 CA GLU A 348 -0.558 3.058 1.568 1.00 89.31 C +ATOM 2705 C GLU A 348 0.626 2.265 2.165 1.00 89.31 C +ATOM 2706 CB GLU A 348 -1.894 2.291 1.506 1.00 89.31 C +ATOM 2707 O GLU A 348 0.531 1.075 2.481 1.00 89.31 O +ATOM 2708 CG GLU A 348 -3.119 3.156 1.137 1.00 89.31 C +ATOM 2709 CD GLU A 348 -4.435 2.352 1.198 1.00 89.31 C +ATOM 2710 OE1 GLU A 348 -5.516 2.907 1.518 1.00 89.31 O +ATOM 2711 OE2 GLU A 348 -4.424 1.121 0.963 1.00 89.31 O +ATOM 2712 N ALA A 349 1.784 2.935 2.254 1.00 91.69 N +ATOM 2713 CA ALA A 349 3.035 2.351 2.733 1.00 91.69 C +ATOM 2714 C ALA A 349 2.952 1.881 4.196 1.00 91.69 C +ATOM 2715 CB ALA A 349 4.163 3.370 2.524 1.00 91.69 C +ATOM 2716 O ALA A 349 3.421 0.781 4.491 1.00 91.69 O +ATOM 2717 N ASP A 350 2.316 2.675 5.068 1.00 88.06 N +ATOM 2718 CA ASP A 350 1.887 2.292 6.424 1.00 88.06 C +ATOM 2719 C ASP A 350 1.260 0.899 6.424 1.00 88.06 C +ATOM 2720 CB ASP A 350 0.920 3.354 7.010 1.00 88.06 C +ATOM 2721 O ASP A 350 1.759 -0.043 7.041 1.00 88.06 O +ATOM 2722 CG ASP A 350 -0.149 3.949 6.062 1.00 88.06 C +ATOM 2723 OD1 ASP A 350 -0.400 3.398 4.961 1.00 88.06 O +ATOM 2724 OD2 ASP A 350 -0.685 5.030 6.394 1.00 88.06 O +ATOM 2725 N ARG A 351 0.236 0.729 5.596 1.00 84.50 N +ATOM 2726 CA ARG A 351 -0.540 -0.499 5.564 1.00 84.50 C +ATOM 2727 C ARG A 351 0.157 -1.672 4.893 1.00 84.50 C +ATOM 2728 CB ARG A 351 -1.877 -0.189 4.916 1.00 84.50 C +ATOM 2729 O ARG A 351 -0.212 -2.822 5.134 1.00 84.50 O +ATOM 2730 CG ARG A 351 -2.915 -1.029 5.645 1.00 84.50 C +ATOM 2731 CD ARG A 351 -4.280 -0.713 5.081 1.00 84.50 C +ATOM 2732 NE ARG A 351 -4.557 -1.576 3.924 1.00 84.50 N +ATOM 2733 NH1 ARG A 351 -5.812 -0.056 2.809 1.00 84.50 N +ATOM 2734 NH2 ARG A 351 -5.272 -1.996 1.827 1.00 84.50 N +ATOM 2735 CZ ARG A 351 -5.212 -1.206 2.853 1.00 84.50 C +ATOM 2736 N MET A 352 1.156 -1.422 4.049 1.00 89.12 N +ATOM 2737 CA MET A 352 2.026 -2.493 3.572 1.00 89.12 C +ATOM 2738 C MET A 352 2.888 -3.065 4.704 1.00 89.12 C +ATOM 2739 CB MET A 352 2.893 -2.031 2.398 1.00 89.12 C +ATOM 2740 O MET A 352 3.102 -4.279 4.725 1.00 89.12 O +ATOM 2741 CG MET A 352 2.071 -1.922 1.112 1.00 89.12 C +ATOM 2742 SD MET A 352 3.006 -1.743 -0.433 1.00 89.12 S +ATOM 2743 CE MET A 352 3.488 -0.007 -0.291 1.00 89.12 C +ATOM 2744 N LEU A 353 3.329 -2.239 5.659 1.00 88.38 N +ATOM 2745 CA LEU A 353 4.019 -2.724 6.857 1.00 88.38 C +ATOM 2746 C LEU A 353 3.060 -3.471 7.796 1.00 88.38 C +ATOM 2747 CB LEU A 353 4.760 -1.582 7.575 1.00 88.38 C +ATOM 2748 O LEU A 353 3.398 -4.580 8.207 1.00 88.38 O +ATOM 2749 CG LEU A 353 5.859 -0.875 6.757 1.00 88.38 C +ATOM 2750 CD1 LEU A 353 6.636 0.069 7.677 1.00 88.38 C +ATOM 2751 CD2 LEU A 353 6.876 -1.848 6.159 1.00 88.38 C +ATOM 2752 N ASP A 354 1.845 -2.956 8.034 1.00 83.19 N +ATOM 2753 CA ASP A 354 0.807 -3.645 8.834 1.00 83.19 C +ATOM 2754 C ASP A 354 0.506 -5.062 8.322 1.00 83.19 C +ATOM 2755 CB ASP A 354 -0.540 -2.908 8.755 1.00 83.19 C +ATOM 2756 O ASP A 354 0.304 -6.001 9.090 1.00 83.19 O +ATOM 2757 CG ASP A 354 -0.597 -1.513 9.360 1.00 83.19 C +ATOM 2758 OD1 ASP A 354 0.326 -1.162 10.121 1.00 83.19 O +ATOM 2759 OD2 ASP A 354 -1.618 -0.857 9.036 1.00 83.19 O +ATOM 2760 N MET A 355 0.464 -5.223 6.995 1.00 81.38 N +ATOM 2761 CA MET A 355 0.220 -6.507 6.331 1.00 81.38 C +ATOM 2762 C MET A 355 1.466 -7.409 6.269 1.00 81.38 C +ATOM 2763 CB MET A 355 -0.393 -6.260 4.943 1.00 81.38 C +ATOM 2764 O MET A 355 1.409 -8.490 5.683 1.00 81.38 O +ATOM 2765 CG MET A 355 -1.819 -5.702 5.065 1.00 81.38 C +ATOM 2766 SD MET A 355 -2.702 -5.423 3.501 1.00 81.38 S +ATOM 2767 CE MET A 355 -2.919 -7.134 2.936 1.00 81.38 C +ATOM 2768 N GLY A 356 2.586 -6.987 6.862 1.00 87.38 N +ATOM 2769 CA GLY A 356 3.826 -7.755 6.922 1.00 87.38 C +ATOM 2770 C GLY A 356 4.586 -7.839 5.597 1.00 87.38 C +ATOM 2771 O GLY A 356 5.381 -8.761 5.431 1.00 87.38 O +ATOM 2772 N PHE A 357 4.368 -6.910 4.654 1.00 92.06 N +ATOM 2773 CA PHE A 357 5.048 -6.923 3.350 1.00 92.06 C +ATOM 2774 C PHE A 357 6.473 -6.346 3.361 1.00 92.06 C +ATOM 2775 CB PHE A 357 4.198 -6.257 2.253 1.00 92.06 C +ATOM 2776 O PHE A 357 7.118 -6.345 2.311 1.00 92.06 O +ATOM 2777 CG PHE A 357 2.953 -7.010 1.830 1.00 92.06 C +ATOM 2778 CD1 PHE A 357 3.051 -8.335 1.360 1.00 92.06 C +ATOM 2779 CD2 PHE A 357 1.704 -6.368 1.847 1.00 92.06 C +ATOM 2780 CE1 PHE A 357 1.902 -9.017 0.920 1.00 92.06 C +ATOM 2781 CE2 PHE A 357 0.557 -7.048 1.406 1.00 92.06 C +ATOM 2782 CZ PHE A 357 0.653 -8.371 0.942 1.00 92.06 C +ATOM 2783 N GLU A 358 6.999 -5.872 4.499 1.00 93.56 N +ATOM 2784 CA GLU A 358 8.367 -5.325 4.576 1.00 93.56 C +ATOM 2785 C GLU A 358 9.432 -6.255 3.954 1.00 93.56 C +ATOM 2786 CB GLU A 358 8.765 -4.952 6.019 1.00 93.56 C +ATOM 2787 O GLU A 358 10.217 -5.769 3.134 1.00 93.56 O +ATOM 2788 CG GLU A 358 9.937 -3.950 5.999 1.00 93.56 C +ATOM 2789 CD GLU A 358 10.579 -3.668 7.366 1.00 93.56 C +ATOM 2790 OE1 GLU A 358 11.715 -3.127 7.344 1.00 93.56 O +ATOM 2791 OE2 GLU A 358 9.980 -4.024 8.402 1.00 93.56 O +ATOM 2792 N PRO A 359 9.456 -7.580 4.230 1.00 95.06 N +ATOM 2793 CA PRO A 359 10.456 -8.474 3.650 1.00 95.06 C +ATOM 2794 C PRO A 359 10.370 -8.543 2.121 1.00 95.06 C +ATOM 2795 CB PRO A 359 10.214 -9.849 4.291 1.00 95.06 C +ATOM 2796 O PRO A 359 11.398 -8.527 1.445 1.00 95.06 O +ATOM 2797 CG PRO A 359 9.474 -9.522 5.586 1.00 95.06 C +ATOM 2798 CD PRO A 359 8.625 -8.330 5.164 1.00 95.06 C +ATOM 2799 N GLN A 360 9.157 -8.576 1.559 1.00 95.19 N +ATOM 2800 CA GLN A 360 8.936 -8.585 0.113 1.00 95.19 C +ATOM 2801 C GLN A 360 9.324 -7.240 -0.509 1.00 95.19 C +ATOM 2802 CB GLN A 360 7.476 -8.935 -0.238 1.00 95.19 C +ATOM 2803 O GLN A 360 9.952 -7.221 -1.563 1.00 95.19 O +ATOM 2804 CG GLN A 360 7.047 -10.366 0.147 1.00 95.19 C +ATOM 2805 CD GLN A 360 6.680 -10.545 1.620 1.00 95.19 C +ATOM 2806 NE2 GLN A 360 6.279 -11.720 2.044 1.00 95.19 N +ATOM 2807 OE1 GLN A 360 6.727 -9.634 2.422 1.00 95.19 O +ATOM 2808 N ILE A 361 9.012 -6.116 0.140 1.00 96.12 N +ATOM 2809 CA ILE A 361 9.379 -4.784 -0.354 1.00 96.12 C +ATOM 2810 C ILE A 361 10.902 -4.615 -0.358 1.00 96.12 C +ATOM 2811 CB ILE A 361 8.654 -3.685 0.447 1.00 96.12 C +ATOM 2812 O ILE A 361 11.460 -4.225 -1.381 1.00 96.12 O +ATOM 2813 CG1 ILE A 361 7.133 -3.780 0.205 1.00 96.12 C +ATOM 2814 CG2 ILE A 361 9.136 -2.294 0.009 1.00 96.12 C +ATOM 2815 CD1 ILE A 361 6.296 -2.937 1.165 1.00 96.12 C +ATOM 2816 N ARG A 362 11.603 -4.993 0.719 1.00 95.88 N +ATOM 2817 CA ARG A 362 13.077 -4.993 0.743 1.00 95.88 C +ATOM 2818 C ARG A 362 13.667 -5.947 -0.295 1.00 95.88 C +ATOM 2819 CB ARG A 362 13.590 -5.315 2.151 1.00 95.88 C +ATOM 2820 O ARG A 362 14.625 -5.584 -0.974 1.00 95.88 O +ATOM 2821 CG ARG A 362 13.288 -4.170 3.125 1.00 95.88 C +ATOM 2822 CD ARG A 362 13.983 -4.412 4.463 1.00 95.88 C +ATOM 2823 NE ARG A 362 13.695 -3.328 5.407 1.00 95.88 N +ATOM 2824 NH1 ARG A 362 15.248 -1.741 4.712 1.00 95.88 N +ATOM 2825 NH2 ARG A 362 13.883 -1.345 6.416 1.00 95.88 N +ATOM 2826 CZ ARG A 362 14.285 -2.154 5.489 1.00 95.88 C +ATOM 2827 N ARG A 363 13.060 -7.124 -0.505 1.00 95.81 N +ATOM 2828 CA ARG A 363 13.439 -8.050 -1.588 1.00 95.81 C +ATOM 2829 C ARG A 363 13.355 -7.382 -2.968 1.00 95.81 C +ATOM 2830 CB ARG A 363 12.598 -9.343 -1.499 1.00 95.81 C +ATOM 2831 O ARG A 363 14.283 -7.533 -3.754 1.00 95.81 O +ATOM 2832 CG ARG A 363 12.867 -10.382 -2.602 1.00 95.81 C +ATOM 2833 CD ARG A 363 14.252 -11.027 -2.480 1.00 95.81 C +ATOM 2834 NE ARG A 363 14.646 -11.683 -3.743 1.00 95.81 N +ATOM 2835 NH1 ARG A 363 16.872 -11.177 -3.639 1.00 95.81 N +ATOM 2836 NH2 ARG A 363 15.988 -11.777 -5.587 1.00 95.81 N +ATOM 2837 CZ ARG A 363 15.830 -11.564 -4.315 1.00 95.81 C +ATOM 2838 N ILE A 364 12.283 -6.634 -3.237 1.00 96.44 N +ATOM 2839 CA ILE A 364 12.036 -5.919 -4.503 1.00 96.44 C +ATOM 2840 C ILE A 364 12.996 -4.728 -4.699 1.00 96.44 C +ATOM 2841 CB ILE A 364 10.551 -5.463 -4.544 1.00 96.44 C +ATOM 2842 O ILE A 364 13.480 -4.513 -5.809 1.00 96.44 O +ATOM 2843 CG1 ILE A 364 9.587 -6.667 -4.679 1.00 96.44 C +ATOM 2844 CG2 ILE A 364 10.260 -4.471 -5.686 1.00 96.44 C +ATOM 2845 CD1 ILE A 364 8.174 -6.376 -4.143 1.00 96.44 C +ATOM 2846 N VAL A 365 13.235 -3.937 -3.647 1.00 96.06 N +ATOM 2847 CA VAL A 365 13.866 -2.602 -3.735 1.00 96.06 C +ATOM 2848 C VAL A 365 15.372 -2.609 -3.441 1.00 96.06 C +ATOM 2849 CB VAL A 365 13.123 -1.615 -2.802 1.00 96.06 C +ATOM 2850 O VAL A 365 16.095 -1.775 -3.988 1.00 96.06 O +ATOM 2851 CG1 VAL A 365 13.727 -0.205 -2.800 1.00 96.06 C +ATOM 2852 CG2 VAL A 365 11.652 -1.456 -3.223 1.00 96.06 C +ATOM 2853 N GLU A 366 15.852 -3.518 -2.585 1.00 94.00 N +ATOM 2854 CA GLU A 366 17.246 -3.551 -2.101 1.00 94.00 C +ATOM 2855 C GLU A 366 18.029 -4.796 -2.551 1.00 94.00 C +ATOM 2856 CB GLU A 366 17.284 -3.478 -0.558 1.00 94.00 C +ATOM 2857 O GLU A 366 19.257 -4.763 -2.588 1.00 94.00 O +ATOM 2858 CG GLU A 366 16.566 -2.260 0.038 1.00 94.00 C +ATOM 2859 CD GLU A 366 16.720 -2.180 1.569 1.00 94.00 C +ATOM 2860 OE1 GLU A 366 17.243 -1.153 2.047 1.00 94.00 O +ATOM 2861 OE2 GLU A 366 16.232 -3.088 2.285 1.00 94.00 O +ATOM 2862 N GLN A 367 17.348 -5.906 -2.865 1.00 91.00 N +ATOM 2863 CA GLN A 367 17.982 -7.225 -3.057 1.00 91.00 C +ATOM 2864 C GLN A 367 17.862 -7.783 -4.487 1.00 91.00 C +ATOM 2865 CB GLN A 367 17.416 -8.231 -2.047 1.00 91.00 C +ATOM 2866 O GLN A 367 18.152 -8.963 -4.720 1.00 91.00 O +ATOM 2867 CG GLN A 367 17.416 -7.785 -0.577 1.00 91.00 C +ATOM 2868 CD GLN A 367 16.728 -8.803 0.326 1.00 91.00 C +ATOM 2869 NE2 GLN A 367 16.594 -8.510 1.600 1.00 91.00 N +ATOM 2870 OE1 GLN A 367 16.288 -9.866 -0.092 1.00 91.00 O +ATOM 2871 N ASP A 368 17.415 -6.965 -5.438 1.00 91.44 N +ATOM 2872 CA ASP A 368 17.236 -7.332 -6.844 1.00 91.44 C +ATOM 2873 C ASP A 368 17.782 -6.225 -7.773 1.00 91.44 C +ATOM 2874 CB ASP A 368 15.749 -7.682 -7.093 1.00 91.44 C +ATOM 2875 O ASP A 368 18.520 -5.336 -7.360 1.00 91.44 O +ATOM 2876 CG ASP A 368 15.568 -8.753 -8.181 1.00 91.44 C +ATOM 2877 OD1 ASP A 368 15.738 -8.413 -9.380 1.00 91.44 O +ATOM 2878 OD2 ASP A 368 15.269 -9.912 -7.811 1.00 91.44 O +ATOM 2879 N THR A 369 17.432 -6.300 -9.050 1.00 92.56 N +ATOM 2880 CA THR A 369 17.916 -5.505 -10.187 1.00 92.56 C +ATOM 2881 C THR A 369 17.499 -4.030 -10.208 1.00 92.56 C +ATOM 2882 CB THR A 369 17.461 -6.188 -11.495 1.00 92.56 C +ATOM 2883 O THR A 369 17.867 -3.318 -11.140 1.00 92.56 O +ATOM 2884 CG2 THR A 369 18.264 -7.462 -11.756 1.00 92.56 C +ATOM 2885 OG1 THR A 369 16.087 -6.563 -11.454 1.00 92.56 O +ATOM 2886 N MET A 370 16.741 -3.542 -9.223 1.00 95.81 N +ATOM 2887 CA MET A 370 16.253 -2.160 -9.224 1.00 95.81 C +ATOM 2888 C MET A 370 17.402 -1.143 -9.049 1.00 95.81 C +ATOM 2889 CB MET A 370 15.182 -1.977 -8.139 1.00 95.81 C +ATOM 2890 O MET A 370 18.210 -1.296 -8.131 1.00 95.81 O +ATOM 2891 CG MET A 370 14.519 -0.600 -8.282 1.00 95.81 C +ATOM 2892 SD MET A 370 13.241 -0.206 -7.070 1.00 95.81 S +ATOM 2893 CE MET A 370 11.964 -1.382 -7.560 1.00 95.81 C +ATOM 2894 N PRO A 371 17.459 -0.057 -9.849 1.00 95.62 N +ATOM 2895 CA PRO A 371 18.393 1.041 -9.620 1.00 95.62 C +ATOM 2896 C PRO A 371 18.294 1.607 -8.190 1.00 95.62 C +ATOM 2897 CB PRO A 371 18.055 2.103 -10.672 1.00 95.62 C +ATOM 2898 O PRO A 371 17.185 1.737 -7.657 1.00 95.62 O +ATOM 2899 CG PRO A 371 17.468 1.280 -11.817 1.00 95.62 C +ATOM 2900 CD PRO A 371 16.735 0.154 -11.093 1.00 95.62 C +ATOM 2901 N PRO A 372 19.422 1.974 -7.554 1.00 95.81 N +ATOM 2902 CA PRO A 372 19.418 2.526 -6.204 1.00 95.81 C +ATOM 2903 C PRO A 372 18.762 3.913 -6.159 1.00 95.81 C +ATOM 2904 CB PRO A 372 20.890 2.564 -5.778 1.00 95.81 C +ATOM 2905 O PRO A 372 18.590 4.589 -7.181 1.00 95.81 O +ATOM 2906 CG PRO A 372 21.623 2.754 -7.104 1.00 95.81 C +ATOM 2907 CD PRO A 372 20.780 1.932 -8.078 1.00 95.81 C +ATOM 2908 N LYS A 373 18.416 4.357 -4.949 1.00 94.94 N +ATOM 2909 CA LYS A 373 17.929 5.720 -4.703 1.00 94.94 C +ATOM 2910 C LYS A 373 18.934 6.779 -5.173 1.00 94.94 C +ATOM 2911 CB LYS A 373 17.552 5.873 -3.232 1.00 94.94 C +ATOM 2912 O LYS A 373 20.132 6.505 -5.229 1.00 94.94 O +ATOM 2913 CG LYS A 373 18.739 5.842 -2.252 1.00 94.94 C +ATOM 2914 CD LYS A 373 18.131 5.903 -0.855 1.00 94.94 C +ATOM 2915 CE LYS A 373 19.113 6.194 0.274 1.00 94.94 C +ATOM 2916 NZ LYS A 373 18.329 6.380 1.515 1.00 94.94 N +ATOM 2917 N GLY A 374 18.426 7.933 -5.600 1.00 92.38 N +ATOM 2918 CA GLY A 374 19.198 8.951 -6.326 1.00 92.38 C +ATOM 2919 C GLY A 374 19.412 8.643 -7.822 1.00 92.38 C +ATOM 2920 O GLY A 374 19.756 9.541 -8.584 1.00 92.38 O +ATOM 2921 N VAL A 375 19.175 7.401 -8.284 1.00 94.81 N +ATOM 2922 CA VAL A 375 19.180 7.019 -9.721 1.00 94.81 C +ATOM 2923 C VAL A 375 17.773 6.699 -10.247 1.00 94.81 C +ATOM 2924 CB VAL A 375 20.127 5.825 -9.977 1.00 94.81 C +ATOM 2925 O VAL A 375 17.474 6.938 -11.428 1.00 94.81 O +ATOM 2926 CG1 VAL A 375 20.216 5.471 -11.471 1.00 94.81 C +ATOM 2927 CG2 VAL A 375 21.553 6.114 -9.491 1.00 94.81 C +ATOM 2928 N ARG A 376 16.923 6.143 -9.376 1.00 95.88 N +ATOM 2929 CA ARG A 376 15.456 6.144 -9.490 1.00 95.88 C +ATOM 2930 C ARG A 376 14.887 7.314 -8.682 1.00 95.88 C +ATOM 2931 CB ARG A 376 14.867 4.795 -9.012 1.00 95.88 C +ATOM 2932 O ARG A 376 15.486 7.691 -7.675 1.00 95.88 O +ATOM 2933 CG ARG A 376 15.022 4.604 -7.492 1.00 95.88 C +ATOM 2934 CD ARG A 376 14.384 3.340 -6.926 1.00 95.88 C +ATOM 2935 NE ARG A 376 14.482 3.385 -5.455 1.00 95.88 N +ATOM 2936 NH1 ARG A 376 15.963 1.651 -5.099 1.00 95.88 N +ATOM 2937 NH2 ARG A 376 15.173 2.828 -3.373 1.00 95.88 N +ATOM 2938 CZ ARG A 376 15.202 2.617 -4.659 1.00 95.88 C +ATOM 2939 N HIS A 377 13.705 7.789 -9.058 1.00 96.62 N +ATOM 2940 CA HIS A 377 12.886 8.663 -8.218 1.00 96.62 C +ATOM 2941 C HIS A 377 11.899 7.800 -7.426 1.00 96.62 C +ATOM 2942 CB HIS A 377 12.176 9.730 -9.065 1.00 96.62 C +ATOM 2943 O HIS A 377 11.212 6.943 -7.998 1.00 96.62 O +ATOM 2944 CG HIS A 377 13.073 10.372 -10.094 1.00 96.62 C +ATOM 2945 CD2 HIS A 377 14.347 10.842 -9.903 1.00 96.62 C +ATOM 2946 ND1 HIS A 377 12.807 10.453 -11.441 1.00 96.62 N +ATOM 2947 CE1 HIS A 377 13.895 10.944 -12.049 1.00 96.62 C +ATOM 2948 NE2 HIS A 377 14.872 11.171 -11.162 1.00 96.62 N +ATOM 2949 N THR A 378 11.834 8.008 -6.116 1.00 98.06 N +ATOM 2950 CA THR A 378 11.016 7.224 -5.189 1.00 98.06 C +ATOM 2951 C THR A 378 9.971 8.111 -4.517 1.00 98.06 C +ATOM 2952 CB THR A 378 11.872 6.496 -4.141 1.00 98.06 C +ATOM 2953 O THR A 378 10.276 9.180 -3.993 1.00 98.06 O +ATOM 2954 CG2 THR A 378 11.065 5.402 -3.439 1.00 98.06 C +ATOM 2955 OG1 THR A 378 13.008 5.884 -4.723 1.00 98.06 O +ATOM 2956 N MET A 379 8.718 7.662 -4.514 1.00 97.88 N +ATOM 2957 CA MET A 379 7.604 8.348 -3.864 1.00 97.88 C +ATOM 2958 C MET A 379 6.907 7.401 -2.890 1.00 97.88 C +ATOM 2959 CB MET A 379 6.618 8.889 -4.906 1.00 97.88 C +ATOM 2960 O MET A 379 6.543 6.281 -3.247 1.00 97.88 O +ATOM 2961 CG MET A 379 7.209 9.963 -5.832 1.00 97.88 C +ATOM 2962 SD MET A 379 6.927 9.683 -7.602 1.00 97.88 S +ATOM 2963 CE MET A 379 8.166 8.403 -7.927 1.00 97.88 C +ATOM 2964 N MET A 380 6.691 7.852 -1.661 1.00 96.94 N +ATOM 2965 CA MET A 380 5.974 7.118 -0.623 1.00 96.94 C +ATOM 2966 C MET A 380 4.740 7.904 -0.195 1.00 96.94 C +ATOM 2967 CB MET A 380 6.907 6.841 0.560 1.00 96.94 C +ATOM 2968 O MET A 380 4.832 9.080 0.149 1.00 96.94 O +ATOM 2969 CG MET A 380 7.909 5.730 0.226 1.00 96.94 C +ATOM 2970 SD MET A 380 9.120 5.345 1.514 1.00 96.94 S +ATOM 2971 CE MET A 380 8.030 4.934 2.904 1.00 96.94 C +ATOM 2972 N PHE A 381 3.587 7.243 -0.206 1.00 94.38 N +ATOM 2973 CA PHE A 381 2.296 7.807 0.165 1.00 94.38 C +ATOM 2974 C PHE A 381 1.700 7.017 1.330 1.00 94.38 C +ATOM 2975 CB PHE A 381 1.364 7.814 -1.050 1.00 94.38 C +ATOM 2976 O PHE A 381 1.565 5.795 1.270 1.00 94.38 O +ATOM 2977 CG PHE A 381 1.722 8.834 -2.112 1.00 94.38 C +ATOM 2978 CD1 PHE A 381 1.193 10.138 -2.061 1.00 94.38 C +ATOM 2979 CD2 PHE A 381 2.595 8.474 -3.154 1.00 94.38 C +ATOM 2980 CE1 PHE A 381 1.538 11.080 -3.047 1.00 94.38 C +ATOM 2981 CE2 PHE A 381 2.943 9.417 -4.135 1.00 94.38 C +ATOM 2982 CZ PHE A 381 2.416 10.720 -4.083 1.00 94.38 C +ATOM 2983 N SER A 382 1.309 7.726 2.384 1.00 89.06 N +ATOM 2984 CA SER A 382 0.875 7.149 3.662 1.00 89.06 C +ATOM 2985 C SER A 382 -0.254 7.994 4.260 1.00 89.06 C +ATOM 2986 CB SER A 382 2.096 7.097 4.586 1.00 89.06 C +ATOM 2987 O SER A 382 -0.373 9.176 3.930 1.00 89.06 O +ATOM 2988 OG SER A 382 2.029 6.027 5.490 1.00 89.06 O +ATOM 2989 N ALA A 383 -1.104 7.415 5.103 1.00 81.25 N +ATOM 2990 CA ALA A 383 -2.073 8.155 5.913 1.00 81.25 C +ATOM 2991 C ALA A 383 -1.493 8.472 7.304 1.00 81.25 C +ATOM 2992 CB ALA A 383 -3.367 7.337 5.996 1.00 81.25 C +ATOM 2993 O ALA A 383 -1.648 9.594 7.800 1.00 81.25 O +ATOM 2994 N THR A 384 -0.775 7.513 7.899 1.00 80.62 N +ATOM 2995 CA THR A 384 -0.021 7.678 9.150 1.00 80.62 C +ATOM 2996 C THR A 384 1.487 7.795 8.882 1.00 80.62 C +ATOM 2997 CB THR A 384 -0.362 6.573 10.176 1.00 80.62 C +ATOM 2998 O THR A 384 1.967 7.513 7.781 1.00 80.62 O +ATOM 2999 CG2 THR A 384 -1.869 6.410 10.385 1.00 80.62 C +ATOM 3000 OG1 THR A 384 0.156 5.324 9.805 1.00 80.62 O +ATOM 3001 N PHE A 385 2.259 8.265 9.872 1.00 87.38 N +ATOM 3002 CA PHE A 385 3.726 8.364 9.778 1.00 87.38 C +ATOM 3003 C PHE A 385 4.438 7.810 11.029 1.00 87.38 C +ATOM 3004 CB PHE A 385 4.123 9.809 9.418 1.00 87.38 C +ATOM 3005 O PHE A 385 5.194 8.536 11.688 1.00 87.38 O +ATOM 3006 CG PHE A 385 5.514 9.985 8.824 1.00 87.38 C +ATOM 3007 CD1 PHE A 385 6.394 10.961 9.330 1.00 87.38 C +ATOM 3008 CD2 PHE A 385 5.905 9.223 7.708 1.00 87.38 C +ATOM 3009 CE1 PHE A 385 7.642 11.178 8.716 1.00 87.38 C +ATOM 3010 CE2 PHE A 385 7.172 9.405 7.124 1.00 87.38 C +ATOM 3011 CZ PHE A 385 8.039 10.391 7.620 1.00 87.38 C +ATOM 3012 N PRO A 386 4.187 6.536 11.397 1.00 83.94 N +ATOM 3013 CA PRO A 386 4.835 5.889 12.531 1.00 83.94 C +ATOM 3014 C PRO A 386 6.347 5.751 12.302 1.00 83.94 C +ATOM 3015 CB PRO A 386 4.126 4.536 12.687 1.00 83.94 C +ATOM 3016 O PRO A 386 6.872 5.979 11.206 1.00 83.94 O +ATOM 3017 CG PRO A 386 3.728 4.193 11.256 1.00 83.94 C +ATOM 3018 CD PRO A 386 3.341 5.564 10.710 1.00 83.94 C +ATOM 3019 N LYS A 387 7.075 5.376 13.355 1.00 87.00 N +ATOM 3020 CA LYS A 387 8.543 5.299 13.341 1.00 87.00 C +ATOM 3021 C LYS A 387 9.059 4.312 12.286 1.00 87.00 C +ATOM 3022 CB LYS A 387 8.985 4.891 14.747 1.00 87.00 C +ATOM 3023 O LYS A 387 10.100 4.537 11.676 1.00 87.00 O +ATOM 3024 CG LYS A 387 10.509 4.831 14.872 1.00 87.00 C +ATOM 3025 CD LYS A 387 10.875 4.265 16.238 1.00 87.00 C +ATOM 3026 CE LYS A 387 12.378 4.012 16.265 1.00 87.00 C +ATOM 3027 NZ LYS A 387 12.712 3.108 17.385 1.00 87.00 N +ATOM 3028 N GLU A 388 8.312 3.247 12.060 1.00 89.12 N +ATOM 3029 CA GLU A 388 8.572 2.176 11.108 1.00 89.12 C +ATOM 3030 C GLU A 388 8.545 2.729 9.671 1.00 89.12 C +ATOM 3031 CB GLU A 388 7.516 1.074 11.339 1.00 89.12 C +ATOM 3032 O GLU A 388 9.465 2.482 8.891 1.00 89.12 O +ATOM 3033 CG GLU A 388 7.601 0.346 12.705 1.00 89.12 C +ATOM 3034 CD GLU A 388 7.414 1.232 13.959 1.00 89.12 C +ATOM 3035 OE1 GLU A 388 8.166 1.028 14.943 1.00 89.12 O +ATOM 3036 OE2 GLU A 388 6.629 2.209 13.907 1.00 89.12 O +ATOM 3037 N ILE A 389 7.577 3.599 9.356 1.00 90.88 N +ATOM 3038 CA ILE A 389 7.502 4.305 8.068 1.00 90.88 C +ATOM 3039 C ILE A 389 8.573 5.388 7.939 1.00 90.88 C +ATOM 3040 CB ILE A 389 6.073 4.848 7.832 1.00 90.88 C +ATOM 3041 O ILE A 389 9.143 5.545 6.862 1.00 90.88 O +ATOM 3042 CG1 ILE A 389 5.077 3.690 7.631 1.00 90.88 C +ATOM 3043 CG2 ILE A 389 5.982 5.806 6.631 1.00 90.88 C +ATOM 3044 CD1 ILE A 389 5.292 2.897 6.331 1.00 90.88 C +ATOM 3045 N GLN A 390 8.923 6.085 9.023 1.00 91.00 N +ATOM 3046 CA GLN A 390 10.060 7.016 9.026 1.00 91.00 C +ATOM 3047 C GLN A 390 11.387 6.303 8.718 1.00 91.00 C +ATOM 3048 CB GLN A 390 10.158 7.716 10.387 1.00 91.00 C +ATOM 3049 O GLN A 390 12.230 6.841 7.997 1.00 91.00 O +ATOM 3050 CG GLN A 390 8.997 8.683 10.631 1.00 91.00 C +ATOM 3051 CD GLN A 390 8.954 9.200 12.061 1.00 91.00 C +ATOM 3052 NE2 GLN A 390 7.783 9.371 12.631 1.00 91.00 N +ATOM 3053 OE1 GLN A 390 9.967 9.454 12.699 1.00 91.00 O +ATOM 3054 N MET A 391 11.576 5.086 9.239 1.00 92.12 N +ATOM 3055 CA MET A 391 12.735 4.244 8.930 1.00 92.12 C +ATOM 3056 C MET A 391 12.707 3.769 7.472 1.00 92.12 C +ATOM 3057 CB MET A 391 12.823 3.073 9.922 1.00 92.12 C +ATOM 3058 O MET A 391 13.699 3.948 6.770 1.00 92.12 O +ATOM 3059 CG MET A 391 13.302 3.563 11.299 1.00 92.12 C +ATOM 3060 SD MET A 391 13.401 2.329 12.633 1.00 92.12 S +ATOM 3061 CE MET A 391 14.436 1.063 11.843 1.00 92.12 C +ATOM 3062 N LEU A 392 11.567 3.275 6.981 1.00 92.50 N +ATOM 3063 CA LEU A 392 11.409 2.851 5.585 1.00 92.50 C +ATOM 3064 C LEU A 392 11.674 4.000 4.590 1.00 92.50 C +ATOM 3065 CB LEU A 392 9.988 2.278 5.421 1.00 92.50 C +ATOM 3066 O LEU A 392 12.388 3.823 3.603 1.00 92.50 O +ATOM 3067 CG LEU A 392 9.818 1.418 4.156 1.00 92.50 C +ATOM 3068 CD1 LEU A 392 10.485 0.051 4.339 1.00 92.50 C +ATOM 3069 CD2 LEU A 392 8.333 1.198 3.866 1.00 92.50 C +ATOM 3070 N ALA A 393 11.163 5.200 4.886 1.00 93.06 N +ATOM 3071 CA ALA A 393 11.400 6.405 4.095 1.00 93.06 C +ATOM 3072 C ALA A 393 12.882 6.808 4.092 1.00 93.06 C +ATOM 3073 CB ALA A 393 10.498 7.526 4.630 1.00 93.06 C +ATOM 3074 O ALA A 393 13.437 7.131 3.045 1.00 93.06 O +ATOM 3075 N ARG A 394 13.563 6.731 5.242 1.00 92.81 N +ATOM 3076 CA ARG A 394 15.010 6.977 5.326 1.00 92.81 C +ATOM 3077 C ARG A 394 15.822 5.972 4.504 1.00 92.81 C +ATOM 3078 CB ARG A 394 15.423 6.958 6.801 1.00 92.81 C +ATOM 3079 O ARG A 394 16.828 6.359 3.903 1.00 92.81 O +ATOM 3080 CG ARG A 394 16.931 7.169 6.962 1.00 92.81 C +ATOM 3081 CD ARG A 394 17.327 7.096 8.430 1.00 92.81 C +ATOM 3082 NE ARG A 394 18.791 7.177 8.551 1.00 92.81 N +ATOM 3083 NH1 ARG A 394 18.909 6.969 10.824 1.00 92.81 N +ATOM 3084 NH2 ARG A 394 20.790 7.153 9.627 1.00 92.81 N +ATOM 3085 CZ ARG A 394 19.489 7.099 9.664 1.00 92.81 C +ATOM 3086 N ASP A 395 15.419 4.706 4.492 1.00 94.69 N +ATOM 3087 CA ASP A 395 16.123 3.656 3.759 1.00 94.69 C +ATOM 3088 C ASP A 395 15.960 3.853 2.247 1.00 94.69 C +ATOM 3089 CB ASP A 395 15.640 2.268 4.214 1.00 94.69 C +ATOM 3090 O ASP A 395 16.960 3.909 1.528 1.00 94.69 O +ATOM 3091 CG ASP A 395 16.071 1.880 5.637 1.00 94.69 C +ATOM 3092 OD1 ASP A 395 16.902 2.598 6.248 1.00 94.69 O +ATOM 3093 OD2 ASP A 395 15.580 0.818 6.097 1.00 94.69 O +ATOM 3094 N PHE A 396 14.731 4.055 1.757 1.00 95.19 N +ATOM 3095 CA PHE A 396 14.436 4.033 0.319 1.00 95.19 C +ATOM 3096 C PHE A 396 14.495 5.376 -0.408 1.00 95.19 C +ATOM 3097 CB PHE A 396 13.061 3.404 0.086 1.00 95.19 C +ATOM 3098 O PHE A 396 14.703 5.346 -1.624 1.00 95.19 O +ATOM 3099 CG PHE A 396 12.875 1.969 0.534 1.00 95.19 C +ATOM 3100 CD1 PHE A 396 13.955 1.111 0.837 1.00 95.19 C +ATOM 3101 CD2 PHE A 396 11.559 1.492 0.648 1.00 95.19 C +ATOM 3102 CE1 PHE A 396 13.708 -0.201 1.272 1.00 95.19 C +ATOM 3103 CE2 PHE A 396 11.320 0.178 1.069 1.00 95.19 C +ATOM 3104 CZ PHE A 396 12.392 -0.673 1.380 1.00 95.19 C +ATOM 3105 N LEU A 397 14.319 6.505 0.290 1.00 95.50 N +ATOM 3106 CA LEU A 397 14.295 7.844 -0.309 1.00 95.50 C +ATOM 3107 C LEU A 397 15.652 8.558 -0.214 1.00 95.50 C +ATOM 3108 CB LEU A 397 13.201 8.724 0.326 1.00 95.50 C +ATOM 3109 O LEU A 397 16.419 8.337 0.733 1.00 95.50 O +ATOM 3110 CG LEU A 397 11.778 8.148 0.430 1.00 95.50 C +ATOM 3111 CD1 LEU A 397 10.836 9.183 1.041 1.00 95.50 C +ATOM 3112 CD2 LEU A 397 11.224 7.760 -0.930 1.00 95.50 C +ATOM 3113 N ASP A 398 15.934 9.435 -1.177 1.00 95.62 N +ATOM 3114 CA ASP A 398 17.134 10.283 -1.240 1.00 95.62 C +ATOM 3115 C ASP A 398 16.774 11.777 -1.343 1.00 95.62 C +ATOM 3116 CB ASP A 398 18.008 9.832 -2.418 1.00 95.62 C +ATOM 3117 O ASP A 398 15.930 12.153 -2.148 1.00 95.62 O +ATOM 3118 CG ASP A 398 19.388 10.485 -2.379 1.00 95.62 C +ATOM 3119 OD1 ASP A 398 19.950 10.530 -1.259 1.00 95.62 O +ATOM 3120 OD2 ASP A 398 19.886 10.866 -3.459 1.00 95.62 O +ATOM 3121 N GLU A 399 17.366 12.632 -0.494 1.00 93.56 N +ATOM 3122 CA GLU A 399 17.116 14.093 -0.436 1.00 93.56 C +ATOM 3123 C GLU A 399 15.634 14.523 -0.605 1.00 93.56 C +ATOM 3124 CB GLU A 399 18.105 14.845 -1.355 1.00 93.56 C +ATOM 3125 O GLU A 399 15.307 15.517 -1.259 1.00 93.56 O +ATOM 3126 CG GLU A 399 19.492 15.000 -0.705 1.00 93.56 C +ATOM 3127 CD GLU A 399 19.431 15.848 0.577 1.00 93.56 C +ATOM 3128 OE1 GLU A 399 19.828 15.343 1.652 1.00 93.56 O +ATOM 3129 OE2 GLU A 399 18.909 16.988 0.515 1.00 93.56 O +ATOM 3130 N TYR A 400 14.713 13.763 -0.005 1.00 95.50 N +ATOM 3131 CA TYR A 400 13.276 13.853 -0.282 1.00 95.50 C +ATOM 3132 C TYR A 400 12.582 15.084 0.315 1.00 95.50 C +ATOM 3133 CB TYR A 400 12.593 12.560 0.183 1.00 95.50 C +ATOM 3134 O TYR A 400 12.981 15.598 1.364 1.00 95.50 O +ATOM 3135 CG TYR A 400 12.515 12.354 1.689 1.00 95.50 C +ATOM 3136 CD1 TYR A 400 13.594 11.780 2.393 1.00 95.50 C +ATOM 3137 CD2 TYR A 400 11.340 12.704 2.382 1.00 95.50 C +ATOM 3138 CE1 TYR A 400 13.508 11.584 3.786 1.00 95.50 C +ATOM 3139 CE2 TYR A 400 11.248 12.503 3.772 1.00 95.50 C +ATOM 3140 OH TYR A 400 12.233 11.770 5.820 1.00 95.50 O +ATOM 3141 CZ TYR A 400 12.333 11.953 4.478 1.00 95.50 C +ATOM 3142 N ILE A 401 11.475 15.510 -0.291 1.00 96.50 N +ATOM 3143 CA ILE A 401 10.544 16.461 0.328 1.00 96.50 C +ATOM 3144 C ILE A 401 9.543 15.690 1.199 1.00 96.50 C +ATOM 3145 CB ILE A 401 9.849 17.336 -0.737 1.00 96.50 C +ATOM 3146 O ILE A 401 8.944 14.717 0.745 1.00 96.50 O +ATOM 3147 CG1 ILE A 401 10.840 18.051 -1.689 1.00 96.50 C +ATOM 3148 CG2 ILE A 401 8.928 18.367 -0.056 1.00 96.50 C +ATOM 3149 CD1 ILE A 401 11.914 18.917 -1.012 1.00 96.50 C +ATOM 3150 N PHE A 402 9.362 16.112 2.450 1.00 95.25 N +ATOM 3151 CA PHE A 402 8.288 15.642 3.325 1.00 95.25 C +ATOM 3152 C PHE A 402 7.086 16.584 3.210 1.00 95.25 C +ATOM 3153 CB PHE A 402 8.784 15.533 4.772 1.00 95.25 C +ATOM 3154 O PHE A 402 7.217 17.786 3.442 1.00 95.25 O +ATOM 3155 CG PHE A 402 7.703 15.071 5.732 1.00 95.25 C +ATOM 3156 CD1 PHE A 402 7.034 15.992 6.560 1.00 95.25 C +ATOM 3157 CD2 PHE A 402 7.325 13.717 5.754 1.00 95.25 C +ATOM 3158 CE1 PHE A 402 5.996 15.559 7.406 1.00 95.25 C +ATOM 3159 CE2 PHE A 402 6.283 13.285 6.590 1.00 95.25 C +ATOM 3160 CZ PHE A 402 5.619 14.205 7.420 1.00 95.25 C +ATOM 3161 N LEU A 403 5.931 16.035 2.846 1.00 94.06 N +ATOM 3162 CA LEU A 403 4.690 16.747 2.556 1.00 94.06 C +ATOM 3163 C LEU A 403 3.597 16.216 3.493 1.00 94.06 C +ATOM 3164 CB LEU A 403 4.406 16.533 1.054 1.00 94.06 C +ATOM 3165 O LEU A 403 3.225 15.047 3.407 1.00 94.06 O +ATOM 3166 CG LEU A 403 3.226 17.292 0.417 1.00 94.06 C +ATOM 3167 CD1 LEU A 403 3.233 17.006 -1.087 1.00 94.06 C +ATOM 3168 CD2 LEU A 403 1.858 16.852 0.925 1.00 94.06 C +ATOM 3169 N ALA A 404 3.067 17.066 4.368 1.00 91.25 N +ATOM 3170 CA ALA A 404 1.929 16.760 5.230 1.00 91.25 C +ATOM 3171 C ALA A 404 0.691 17.540 4.765 1.00 91.25 C +ATOM 3172 CB ALA A 404 2.309 17.078 6.680 1.00 91.25 C +ATOM 3173 O ALA A 404 0.734 18.765 4.684 1.00 91.25 O +ATOM 3174 N VAL A 405 -0.403 16.834 4.457 1.00 85.44 N +ATOM 3175 CA VAL A 405 -1.711 17.426 4.125 1.00 85.44 C +ATOM 3176 C VAL A 405 -2.652 17.252 5.305 1.00 85.44 C +ATOM 3177 CB VAL A 405 -2.336 16.807 2.863 1.00 85.44 C +ATOM 3178 O VAL A 405 -3.039 16.131 5.643 1.00 85.44 O +ATOM 3179 CG1 VAL A 405 -3.679 17.456 2.500 1.00 85.44 C +ATOM 3180 CG2 VAL A 405 -1.404 16.951 1.665 1.00 85.44 C +ATOM 3181 N GLY A 406 -3.045 18.370 5.907 1.00 78.88 N +ATOM 3182 CA GLY A 406 -3.766 18.387 7.167 1.00 78.88 C +ATOM 3183 C GLY A 406 -2.905 17.845 8.308 1.00 78.88 C +ATOM 3184 O GLY A 406 -1.674 17.808 8.248 1.00 78.88 O +ATOM 3185 N ARG A 407 -3.565 17.393 9.374 1.00 71.56 N +ATOM 3186 CA ARG A 407 -2.882 16.772 10.506 1.00 71.56 C +ATOM 3187 C ARG A 407 -2.638 15.286 10.226 1.00 71.56 C +ATOM 3188 CB ARG A 407 -3.673 17.081 11.780 1.00 71.56 C +ATOM 3189 O ARG A 407 -3.579 14.517 10.039 1.00 71.56 O +ATOM 3190 CG ARG A 407 -2.930 16.616 13.034 1.00 71.56 C +ATOM 3191 CD ARG A 407 -3.501 17.336 14.255 1.00 71.56 C +ATOM 3192 NE ARG A 407 -2.912 16.802 15.491 1.00 71.56 N +ATOM 3193 NH1 ARG A 407 -4.498 17.630 16.940 1.00 71.56 N +ATOM 3194 NH2 ARG A 407 -3.157 15.996 17.594 1.00 71.56 N +ATOM 3195 CZ ARG A 407 -3.505 16.832 16.666 1.00 71.56 C +ATOM 3196 N VAL A 408 -1.364 14.892 10.194 1.00 69.06 N +ATOM 3197 CA VAL A 408 -0.923 13.507 9.942 1.00 69.06 C +ATOM 3198 C VAL A 408 -1.571 12.546 10.944 1.00 69.06 C +ATOM 3199 CB VAL A 408 0.615 13.401 10.011 1.00 69.06 C +ATOM 3200 O VAL A 408 -1.563 12.815 12.143 1.00 69.06 O +ATOM 3201 CG1 VAL A 408 1.106 11.979 9.716 1.00 69.06 C +ATOM 3202 CG2 VAL A 408 1.282 14.348 9.001 1.00 69.06 C +ATOM 3203 N GLY A 409 -2.134 11.436 10.454 1.00 64.56 N +ATOM 3204 CA GLY A 409 -2.861 10.455 11.271 1.00 64.56 C +ATOM 3205 C GLY A 409 -4.266 10.872 11.735 1.00 64.56 C +ATOM 3206 O GLY A 409 -4.951 10.063 12.352 1.00 64.56 O +ATOM 3207 N SER A 410 -4.720 12.093 11.435 1.00 63.50 N +ATOM 3208 CA SER A 410 -6.048 12.577 11.835 1.00 63.50 C +ATOM 3209 C SER A 410 -7.161 12.116 10.884 1.00 63.50 C +ATOM 3210 CB SER A 410 -6.024 14.099 11.954 1.00 63.50 C +ATOM 3211 O SER A 410 -6.907 11.717 9.743 1.00 63.50 O +ATOM 3212 OG SER A 410 -7.038 14.534 12.827 1.00 63.50 O +ATOM 3213 N THR A 411 -8.415 12.209 11.330 1.00 67.38 N +ATOM 3214 CA THR A 411 -9.615 11.864 10.544 1.00 67.38 C +ATOM 3215 C THR A 411 -10.076 13.011 9.643 1.00 67.38 C +ATOM 3216 CB THR A 411 -10.771 11.434 11.457 1.00 67.38 C +ATOM 3217 O THR A 411 -9.684 14.160 9.837 1.00 67.38 O +ATOM 3218 CG2 THR A 411 -10.411 10.191 12.256 1.00 67.38 C +ATOM 3219 OG1 THR A 411 -11.110 12.427 12.393 1.00 67.38 O +ATOM 3220 N SER A 412 -10.940 12.738 8.661 1.00 68.94 N +ATOM 3221 CA SER A 412 -11.562 13.813 7.875 1.00 68.94 C +ATOM 3222 C SER A 412 -12.651 14.519 8.687 1.00 68.94 C +ATOM 3223 CB SER A 412 -12.147 13.271 6.568 1.00 68.94 C +ATOM 3224 O SER A 412 -13.546 13.855 9.209 1.00 68.94 O +ATOM 3225 OG SER A 412 -12.539 14.350 5.740 1.00 68.94 O +ATOM 3226 N GLU A 413 -12.629 15.857 8.733 1.00 74.38 N +ATOM 3227 CA GLU A 413 -13.671 16.671 9.392 1.00 74.38 C +ATOM 3228 C GLU A 413 -15.072 16.486 8.761 1.00 74.38 C +ATOM 3229 CB GLU A 413 -13.283 18.167 9.379 1.00 74.38 C +ATOM 3230 O GLU A 413 -16.081 16.805 9.383 1.00 74.38 O +ATOM 3231 CG GLU A 413 -12.007 18.533 10.173 1.00 74.38 C +ATOM 3232 CD GLU A 413 -11.874 20.057 10.422 1.00 74.38 C +ATOM 3233 OE1 GLU A 413 -11.341 20.471 11.490 1.00 74.38 O +ATOM 3234 OE2 GLU A 413 -12.366 20.837 9.581 1.00 74.38 O +ATOM 3235 N ASN A 414 -15.163 15.917 7.549 1.00 78.88 N +ATOM 3236 CA ASN A 414 -16.434 15.610 6.876 1.00 78.88 C +ATOM 3237 C ASN A 414 -17.153 14.360 7.429 1.00 78.88 C +ATOM 3238 CB ASN A 414 -16.184 15.478 5.362 1.00 78.88 C +ATOM 3239 O ASN A 414 -18.197 13.981 6.895 1.00 78.88 O +ATOM 3240 CG ASN A 414 -15.768 16.780 4.702 1.00 78.88 C +ATOM 3241 ND2 ASN A 414 -14.749 16.739 3.877 1.00 78.88 N +ATOM 3242 OD1 ASN A 414 -16.359 17.833 4.889 1.00 78.88 O +ATOM 3243 N ILE A 415 -16.605 13.690 8.450 1.00 86.56 N +ATOM 3244 CA ILE A 415 -17.184 12.482 9.053 1.00 86.56 C +ATOM 3245 C ILE A 415 -17.772 12.830 10.424 1.00 86.56 C +ATOM 3246 CB ILE A 415 -16.140 11.343 9.151 1.00 86.56 C +ATOM 3247 O ILE A 415 -17.031 13.083 11.370 1.00 86.56 O +ATOM 3248 CG1 ILE A 415 -15.509 11.020 7.775 1.00 86.56 C +ATOM 3249 CG2 ILE A 415 -16.809 10.077 9.730 1.00 86.56 C +ATOM 3250 CD1 ILE A 415 -14.266 10.125 7.860 1.00 86.56 C +ATOM 3251 N THR A 416 -19.098 12.769 10.554 1.00 91.94 N +ATOM 3252 CA THR A 416 -19.774 12.786 11.857 1.00 91.94 C +ATOM 3253 C THR A 416 -19.568 11.440 12.543 1.00 91.94 C +ATOM 3254 CB THR A 416 -21.276 13.069 11.712 1.00 91.94 C +ATOM 3255 O THR A 416 -19.983 10.408 12.016 1.00 91.94 O +ATOM 3256 CG2 THR A 416 -21.979 13.198 13.064 1.00 91.94 C +ATOM 3257 OG1 THR A 416 -21.483 14.283 11.029 1.00 91.94 O +ATOM 3258 N GLN A 417 -18.944 11.433 13.717 1.00 93.75 N +ATOM 3259 CA GLN A 417 -18.611 10.228 14.473 1.00 93.75 C +ATOM 3260 C GLN A 417 -19.520 10.119 15.699 1.00 93.75 C +ATOM 3261 CB GLN A 417 -17.127 10.238 14.875 1.00 93.75 C +ATOM 3262 O GLN A 417 -19.534 11.002 16.550 1.00 93.75 O +ATOM 3263 CG GLN A 417 -16.181 10.407 13.673 1.00 93.75 C +ATOM 3264 CD GLN A 417 -14.713 10.400 14.078 1.00 93.75 C +ATOM 3265 NE2 GLN A 417 -13.945 11.386 13.665 1.00 93.75 N +ATOM 3266 OE1 GLN A 417 -14.239 9.489 14.739 1.00 93.75 O +ATOM 3267 N LYS A 418 -20.274 9.021 15.796 1.00 94.75 N +ATOM 3268 CA LYS A 418 -21.124 8.692 16.945 1.00 94.75 C +ATOM 3269 C LYS A 418 -20.620 7.420 17.609 1.00 94.75 C +ATOM 3270 CB LYS A 418 -22.597 8.567 16.521 1.00 94.75 C +ATOM 3271 O LYS A 418 -20.592 6.364 16.978 1.00 94.75 O +ATOM 3272 CG LYS A 418 -23.155 9.915 16.039 1.00 94.75 C +ATOM 3273 CD LYS A 418 -24.688 9.917 15.978 1.00 94.75 C +ATOM 3274 CE LYS A 418 -25.160 11.343 15.666 1.00 94.75 C +ATOM 3275 NZ LYS A 418 -26.602 11.535 15.955 1.00 94.75 N +ATOM 3276 N VAL A 419 -20.254 7.509 18.882 1.00 95.56 N +ATOM 3277 CA VAL A 419 -19.879 6.349 19.699 1.00 95.56 C +ATOM 3278 C VAL A 419 -21.007 6.074 20.684 1.00 95.56 C +ATOM 3279 CB VAL A 419 -18.519 6.555 20.389 1.00 95.56 C +ATOM 3280 O VAL A 419 -21.426 6.966 21.418 1.00 95.56 O +ATOM 3281 CG1 VAL A 419 -18.085 5.280 21.115 1.00 95.56 C +ATOM 3282 CG2 VAL A 419 -17.431 6.888 19.360 1.00 95.56 C +ATOM 3283 N VAL A 420 -21.525 4.848 20.672 1.00 96.25 N +ATOM 3284 CA VAL A 420 -22.682 4.428 21.472 1.00 96.25 C +ATOM 3285 C VAL A 420 -22.329 3.194 22.292 1.00 96.25 C +ATOM 3286 CB VAL A 420 -23.933 4.190 20.598 1.00 96.25 C +ATOM 3287 O VAL A 420 -21.655 2.291 21.795 1.00 96.25 O +ATOM 3288 CG1 VAL A 420 -24.488 5.522 20.076 1.00 96.25 C +ATOM 3289 CG2 VAL A 420 -23.682 3.285 19.384 1.00 96.25 C +ATOM 3290 N TRP A 421 -22.777 3.158 23.547 1.00 96.19 N +ATOM 3291 CA TRP A 421 -22.635 1.971 24.387 1.00 96.19 C +ATOM 3292 C TRP A 421 -23.646 0.914 23.944 1.00 96.19 C +ATOM 3293 CB TRP A 421 -22.819 2.322 25.866 1.00 96.19 C +ATOM 3294 O TRP A 421 -24.845 1.195 23.937 1.00 96.19 O +ATOM 3295 CG TRP A 421 -22.487 1.178 26.773 1.00 96.19 C +ATOM 3296 CD1 TRP A 421 -23.313 0.162 27.119 1.00 96.19 C +ATOM 3297 CD2 TRP A 421 -21.199 0.863 27.382 1.00 96.19 C +ATOM 3298 CE2 TRP A 421 -21.322 -0.361 28.100 1.00 96.19 C +ATOM 3299 CE3 TRP A 421 -19.928 1.475 27.374 1.00 96.19 C +ATOM 3300 NE1 TRP A 421 -22.624 -0.748 27.899 1.00 96.19 N +ATOM 3301 CH2 TRP A 421 -19.001 -0.306 28.775 1.00 96.19 C +ATOM 3302 CZ2 TRP A 421 -20.252 -0.944 28.792 1.00 96.19 C +ATOM 3303 CZ3 TRP A 421 -18.843 0.891 28.054 1.00 96.19 C +ATOM 3304 N VAL A 422 -23.178 -0.272 23.551 1.00 96.12 N +ATOM 3305 CA VAL A 422 -24.045 -1.366 23.089 1.00 96.12 C +ATOM 3306 C VAL A 422 -23.483 -2.713 23.536 1.00 96.12 C +ATOM 3307 CB VAL A 422 -24.250 -1.355 21.557 1.00 96.12 C +ATOM 3308 O VAL A 422 -22.405 -3.136 23.103 1.00 96.12 O +ATOM 3309 CG1 VAL A 422 -25.350 -2.345 21.167 1.00 96.12 C +ATOM 3310 CG2 VAL A 422 -24.674 0.005 20.989 1.00 96.12 C +ATOM 3311 N GLU A 423 -24.246 -3.410 24.377 1.00 95.44 N +ATOM 3312 CA GLU A 423 -23.902 -4.754 24.835 1.00 95.44 C +ATOM 3313 C GLU A 423 -23.892 -5.768 23.688 1.00 95.44 C +ATOM 3314 CB GLU A 423 -24.860 -5.222 25.944 1.00 95.44 C +ATOM 3315 O GLU A 423 -24.600 -5.637 22.690 1.00 95.44 O +ATOM 3316 CG GLU A 423 -24.740 -4.413 27.245 1.00 95.44 C +ATOM 3317 CD GLU A 423 -23.316 -4.392 27.821 1.00 95.44 C +ATOM 3318 OE1 GLU A 423 -23.012 -3.408 28.530 1.00 95.44 O +ATOM 3319 OE2 GLU A 423 -22.524 -5.314 27.502 1.00 95.44 O +ATOM 3320 N GLU A 424 -23.090 -6.821 23.835 1.00 92.88 N +ATOM 3321 CA GLU A 424 -22.882 -7.844 22.799 1.00 92.88 C +ATOM 3322 C GLU A 424 -24.174 -8.530 22.323 1.00 92.88 C +ATOM 3323 CB GLU A 424 -21.931 -8.909 23.358 1.00 92.88 C +ATOM 3324 O GLU A 424 -24.268 -8.909 21.154 1.00 92.88 O +ATOM 3325 CG GLU A 424 -20.491 -8.403 23.497 1.00 92.88 C +ATOM 3326 CD GLU A 424 -19.746 -8.418 22.160 1.00 92.88 C +ATOM 3327 OE1 GLU A 424 -19.215 -7.360 21.753 1.00 92.88 O +ATOM 3328 OE2 GLU A 424 -19.607 -9.526 21.588 1.00 92.88 O +ATOM 3329 N SER A 425 -25.168 -8.680 23.205 1.00 93.50 N +ATOM 3330 CA SER A 425 -26.503 -9.195 22.868 1.00 93.50 C +ATOM 3331 C SER A 425 -27.306 -8.236 21.989 1.00 93.50 C +ATOM 3332 CB SER A 425 -27.293 -9.457 24.159 1.00 93.50 C +ATOM 3333 O SER A 425 -28.073 -8.675 21.131 1.00 93.50 O +ATOM 3334 OG SER A 425 -27.214 -8.364 25.054 1.00 93.50 O +ATOM 3335 N ASP A 426 -27.099 -6.936 22.175 1.00 95.81 N +ATOM 3336 CA ASP A 426 -27.999 -5.883 21.710 1.00 95.81 C +ATOM 3337 C ASP A 426 -27.506 -5.263 20.396 1.00 95.81 C +ATOM 3338 CB ASP A 426 -28.157 -4.832 22.821 1.00 95.81 C +ATOM 3339 O ASP A 426 -28.293 -4.683 19.647 1.00 95.81 O +ATOM 3340 CG ASP A 426 -28.660 -5.390 24.166 1.00 95.81 C +ATOM 3341 OD1 ASP A 426 -29.010 -6.595 24.246 1.00 95.81 O +ATOM 3342 OD2 ASP A 426 -28.649 -4.605 25.133 1.00 95.81 O +ATOM 3343 N LYS A 427 -26.222 -5.469 20.054 1.00 96.38 N +ATOM 3344 CA LYS A 427 -25.594 -5.035 18.791 1.00 96.38 C +ATOM 3345 C LYS A 427 -26.424 -5.375 17.551 1.00 96.38 C +ATOM 3346 CB LYS A 427 -24.204 -5.673 18.642 1.00 96.38 C +ATOM 3347 O LYS A 427 -26.473 -4.582 16.615 1.00 96.38 O +ATOM 3348 CG LYS A 427 -23.110 -5.095 19.549 1.00 96.38 C +ATOM 3349 CD LYS A 427 -21.774 -5.779 19.220 1.00 96.38 C +ATOM 3350 CE LYS A 427 -20.589 -5.017 19.811 1.00 96.38 C +ATOM 3351 NZ LYS A 427 -19.322 -5.746 19.575 1.00 96.38 N +ATOM 3352 N ARG A 428 -27.075 -6.546 17.520 1.00 95.56 N +ATOM 3353 CA ARG A 428 -27.927 -6.959 16.389 1.00 95.56 C +ATOM 3354 C ARG A 428 -29.187 -6.106 16.285 1.00 95.56 C +ATOM 3355 CB ARG A 428 -28.278 -8.449 16.473 1.00 95.56 C +ATOM 3356 O ARG A 428 -29.452 -5.584 15.209 1.00 95.56 O +ATOM 3357 CG ARG A 428 -27.063 -9.323 16.149 1.00 95.56 C +ATOM 3358 CD ARG A 428 -27.476 -10.795 16.079 1.00 95.56 C +ATOM 3359 NE ARG A 428 -26.308 -11.650 15.802 1.00 95.56 N +ATOM 3360 NH1 ARG A 428 -27.437 -13.617 15.466 1.00 95.56 N +ATOM 3361 NH2 ARG A 428 -25.213 -13.545 15.211 1.00 95.56 N +ATOM 3362 CZ ARG A 428 -26.328 -12.934 15.500 1.00 95.56 C +ATOM 3363 N SER A 429 -29.907 -5.919 17.388 1.00 95.50 N +ATOM 3364 CA SER A 429 -31.108 -5.078 17.445 1.00 95.50 C +ATOM 3365 C SER A 429 -30.781 -3.626 17.086 1.00 95.50 C +ATOM 3366 CB SER A 429 -31.726 -5.146 18.846 1.00 95.50 C +ATOM 3367 O SER A 429 -31.399 -3.060 16.191 1.00 95.50 O +ATOM 3368 OG SER A 429 -31.865 -6.497 19.258 1.00 95.50 O +ATOM 3369 N PHE A 430 -29.720 -3.069 17.680 1.00 95.62 N +ATOM 3370 CA PHE A 430 -29.272 -1.703 17.400 1.00 95.62 C +ATOM 3371 C PHE A 430 -28.848 -1.521 15.931 1.00 95.62 C +ATOM 3372 CB PHE A 430 -28.122 -1.359 18.362 1.00 95.62 C +ATOM 3373 O PHE A 430 -29.100 -0.478 15.328 1.00 95.62 O +ATOM 3374 CG PHE A 430 -27.912 0.131 18.567 1.00 95.62 C +ATOM 3375 CD1 PHE A 430 -27.344 0.924 17.553 1.00 95.62 C +ATOM 3376 CD2 PHE A 430 -28.309 0.735 19.774 1.00 95.62 C +ATOM 3377 CE1 PHE A 430 -27.175 2.307 17.740 1.00 95.62 C +ATOM 3378 CE2 PHE A 430 -28.139 2.118 19.964 1.00 95.62 C +ATOM 3379 CZ PHE A 430 -27.575 2.905 18.947 1.00 95.62 C +ATOM 3380 N LEU A 431 -28.224 -2.537 15.317 1.00 96.25 N +ATOM 3381 CA LEU A 431 -27.919 -2.514 13.886 1.00 96.25 C +ATOM 3382 C LEU A 431 -29.197 -2.439 13.038 1.00 96.25 C +ATOM 3383 CB LEU A 431 -27.054 -3.731 13.508 1.00 96.25 C +ATOM 3384 O LEU A 431 -29.224 -1.653 12.093 1.00 96.25 O +ATOM 3385 CG LEU A 431 -26.700 -3.801 12.010 1.00 96.25 C +ATOM 3386 CD1 LEU A 431 -25.776 -2.662 11.577 1.00 96.25 C +ATOM 3387 CD2 LEU A 431 -26.001 -5.121 11.703 1.00 96.25 C +ATOM 3388 N LEU A 432 -30.244 -3.206 13.365 1.00 95.12 N +ATOM 3389 CA LEU A 432 -31.522 -3.132 12.646 1.00 95.12 C +ATOM 3390 C LEU A 432 -32.144 -1.734 12.748 1.00 95.12 C +ATOM 3391 CB LEU A 432 -32.516 -4.195 13.150 1.00 95.12 C +ATOM 3392 O LEU A 432 -32.581 -1.195 11.734 1.00 95.12 O +ATOM 3393 CG LEU A 432 -32.110 -5.665 12.948 1.00 95.12 C +ATOM 3394 CD1 LEU A 432 -33.282 -6.560 13.347 1.00 95.12 C +ATOM 3395 CD2 LEU A 432 -31.719 -5.975 11.505 1.00 95.12 C +ATOM 3396 N ASP A 433 -32.117 -1.107 13.926 1.00 94.56 N +ATOM 3397 CA ASP A 433 -32.631 0.256 14.117 1.00 94.56 C +ATOM 3398 C ASP A 433 -31.877 1.286 13.256 1.00 94.56 C +ATOM 3399 CB ASP A 433 -32.573 0.636 15.605 1.00 94.56 C +ATOM 3400 O ASP A 433 -32.498 2.117 12.585 1.00 94.56 O +ATOM 3401 CG ASP A 433 -33.542 -0.174 16.474 1.00 94.56 C +ATOM 3402 OD1 ASP A 433 -34.625 -0.535 15.958 1.00 94.56 O +ATOM 3403 OD2 ASP A 433 -33.200 -0.388 17.659 1.00 94.56 O +ATOM 3404 N LEU A 434 -30.542 1.194 13.183 1.00 94.06 N +ATOM 3405 CA LEU A 434 -29.733 2.036 12.291 1.00 94.06 C +ATOM 3406 C LEU A 434 -30.045 1.792 10.807 1.00 94.06 C +ATOM 3407 CB LEU A 434 -28.235 1.796 12.544 1.00 94.06 C +ATOM 3408 O LEU A 434 -30.138 2.745 10.031 1.00 94.06 O +ATOM 3409 CG LEU A 434 -27.690 2.314 13.885 1.00 94.06 C +ATOM 3410 CD1 LEU A 434 -26.191 2.008 13.939 1.00 94.06 C +ATOM 3411 CD2 LEU A 434 -27.868 3.825 14.061 1.00 94.06 C +ATOM 3412 N LEU A 435 -30.219 0.533 10.399 1.00 93.62 N +ATOM 3413 CA LEU A 435 -30.556 0.178 9.018 1.00 93.62 C +ATOM 3414 C LEU A 435 -31.980 0.617 8.642 1.00 93.62 C +ATOM 3415 CB LEU A 435 -30.345 -1.331 8.809 1.00 93.62 C +ATOM 3416 O LEU A 435 -32.198 1.059 7.518 1.00 93.62 O +ATOM 3417 CG LEU A 435 -28.873 -1.789 8.853 1.00 93.62 C +ATOM 3418 CD1 LEU A 435 -28.827 -3.311 8.736 1.00 93.62 C +ATOM 3419 CD2 LEU A 435 -28.031 -1.182 7.728 1.00 93.62 C +ATOM 3420 N ASN A 436 -32.928 0.593 9.580 1.00 91.75 N +ATOM 3421 CA ASN A 436 -34.287 1.110 9.387 1.00 91.75 C +ATOM 3422 C ASN A 436 -34.333 2.641 9.288 1.00 91.75 C +ATOM 3423 CB ASN A 436 -35.171 0.591 10.535 1.00 91.75 C +ATOM 3424 O ASN A 436 -35.129 3.187 8.525 1.00 91.75 O +ATOM 3425 CG ASN A 436 -35.492 -0.881 10.374 1.00 91.75 C +ATOM 3426 ND2 ASN A 436 -35.651 -1.617 11.447 1.00 91.75 N +ATOM 3427 OD1 ASN A 436 -35.615 -1.385 9.267 1.00 91.75 O +ATOM 3428 N ALA A 437 -33.453 3.340 10.011 1.00 90.06 N +ATOM 3429 CA ALA A 437 -33.269 4.786 9.886 1.00 90.06 C +ATOM 3430 C ALA A 437 -32.476 5.200 8.624 1.00 90.06 C +ATOM 3431 CB ALA A 437 -32.596 5.281 11.170 1.00 90.06 C +ATOM 3432 O ALA A 437 -32.406 6.387 8.293 1.00 90.06 O +ATOM 3433 N THR A 438 -31.869 4.249 7.907 1.00 81.06 N +ATOM 3434 CA THR A 438 -31.042 4.519 6.726 1.00 81.06 C +ATOM 3435 C THR A 438 -31.912 4.815 5.495 1.00 81.06 C +ATOM 3436 CB THR A 438 -30.058 3.364 6.480 1.00 81.06 C +ATOM 3437 O THR A 438 -32.783 4.038 5.111 1.00 81.06 O +ATOM 3438 CG2 THR A 438 -29.206 3.570 5.234 1.00 81.06 C +ATOM 3439 OG1 THR A 438 -29.134 3.279 7.541 1.00 81.06 O +ATOM 3440 N GLY A 439 -31.666 5.949 4.827 1.00 80.50 N +ATOM 3441 CA GLY A 439 -32.411 6.339 3.622 1.00 80.50 C +ATOM 3442 C GLY A 439 -32.158 5.401 2.433 1.00 80.50 C +ATOM 3443 O GLY A 439 -31.026 4.974 2.225 1.00 80.50 O +ATOM 3444 N LYS A 440 -33.190 5.146 1.615 1.00 74.44 N +ATOM 3445 CA LYS A 440 -33.235 4.088 0.577 1.00 74.44 C +ATOM 3446 C LYS A 440 -32.035 4.014 -0.380 1.00 74.44 C +ATOM 3447 CB LYS A 440 -34.532 4.222 -0.243 1.00 74.44 C +ATOM 3448 O LYS A 440 -31.641 2.916 -0.752 1.00 74.44 O +ATOM 3449 CG LYS A 440 -35.781 3.964 0.613 1.00 74.44 C +ATOM 3450 CD LYS A 440 -37.061 3.997 -0.229 1.00 74.44 C +ATOM 3451 CE LYS A 440 -38.258 3.688 0.677 1.00 74.44 C +ATOM 3452 NZ LYS A 440 -39.531 3.681 -0.082 1.00 74.44 N +ATOM 3453 N ASP A 441 -31.436 5.150 -0.734 1.00 78.19 N +ATOM 3454 CA ASP A 441 -30.293 5.236 -1.658 1.00 78.19 C +ATOM 3455 C ASP A 441 -28.958 5.439 -0.914 1.00 78.19 C +ATOM 3456 CB ASP A 441 -30.547 6.332 -2.703 1.00 78.19 C +ATOM 3457 O ASP A 441 -28.139 6.291 -1.278 1.00 78.19 O +ATOM 3458 CG ASP A 441 -31.920 6.192 -3.358 1.00 78.19 C +ATOM 3459 OD1 ASP A 441 -32.171 5.139 -3.980 1.00 78.19 O +ATOM 3460 OD2 ASP A 441 -32.722 7.135 -3.176 1.00 78.19 O +ATOM 3461 N SER A 442 -28.758 4.746 0.208 1.00 86.88 N +ATOM 3462 CA SER A 442 -27.577 4.900 1.067 1.00 86.88 C +ATOM 3463 C SER A 442 -26.818 3.589 1.177 1.00 86.88 C +ATOM 3464 CB SER A 442 -27.961 5.396 2.461 1.00 86.88 C +ATOM 3465 O SER A 442 -27.376 2.581 1.594 1.00 86.88 O +ATOM 3466 OG SER A 442 -28.821 6.517 2.360 1.00 86.88 O +ATOM 3467 N LEU A 443 -25.534 3.621 0.818 1.00 91.38 N +ATOM 3468 CA LEU A 443 -24.641 2.483 0.986 1.00 91.38 C +ATOM 3469 C LEU A 443 -24.087 2.472 2.414 1.00 91.38 C +ATOM 3470 CB LEU A 443 -23.527 2.531 -0.075 1.00 91.38 C +ATOM 3471 O LEU A 443 -23.471 3.458 2.847 1.00 91.38 O +ATOM 3472 CG LEU A 443 -24.006 2.505 -1.538 1.00 91.38 C +ATOM 3473 CD1 LEU A 443 -22.791 2.517 -2.467 1.00 91.38 C +ATOM 3474 CD2 LEU A 443 -24.851 1.272 -1.859 1.00 91.38 C +ATOM 3475 N THR A 444 -24.288 1.352 3.108 1.00 93.31 N +ATOM 3476 CA THR A 444 -23.868 1.132 4.497 1.00 93.31 C +ATOM 3477 C THR A 444 -22.801 0.043 4.573 1.00 93.31 C +ATOM 3478 CB THR A 444 -25.067 0.821 5.405 1.00 93.31 C +ATOM 3479 O THR A 444 -23.005 -1.086 4.128 1.00 93.31 O +ATOM 3480 CG2 THR A 444 -24.662 0.611 6.864 1.00 93.31 C +ATOM 3481 OG1 THR A 444 -25.930 1.933 5.389 1.00 93.31 O +ATOM 3482 N LEU A 445 -21.644 0.380 5.145 1.00 93.19 N +ATOM 3483 CA LEU A 445 -20.515 -0.531 5.331 1.00 93.19 C +ATOM 3484 C LEU A 445 -20.422 -0.940 6.805 1.00 93.19 C +ATOM 3485 CB LEU A 445 -19.243 0.170 4.823 1.00 93.19 C +ATOM 3486 O LEU A 445 -20.121 -0.105 7.656 1.00 93.19 O +ATOM 3487 CG LEU A 445 -17.962 -0.678 4.926 1.00 93.19 C +ATOM 3488 CD1 LEU A 445 -18.017 -1.918 4.038 1.00 93.19 C +ATOM 3489 CD2 LEU A 445 -16.770 0.158 4.460 1.00 93.19 C +ATOM 3490 N VAL A 446 -20.667 -2.215 7.104 1.00 95.12 N +ATOM 3491 CA VAL A 446 -20.700 -2.759 8.469 1.00 95.12 C +ATOM 3492 C VAL A 446 -19.415 -3.536 8.746 1.00 95.12 C +ATOM 3493 CB VAL A 446 -21.946 -3.637 8.701 1.00 95.12 C +ATOM 3494 O VAL A 446 -19.145 -4.549 8.109 1.00 95.12 O +ATOM 3495 CG1 VAL A 446 -22.054 -4.039 10.176 1.00 95.12 C +ATOM 3496 CG2 VAL A 446 -23.244 -2.911 8.321 1.00 95.12 C +ATOM 3497 N PHE A 447 -18.617 -3.072 9.700 1.00 95.12 N +ATOM 3498 CA PHE A 447 -17.356 -3.685 10.099 1.00 95.12 C +ATOM 3499 C PHE A 447 -17.507 -4.619 11.295 1.00 95.12 C +ATOM 3500 CB PHE A 447 -16.327 -2.608 10.427 1.00 95.12 C +ATOM 3501 O PHE A 447 -17.973 -4.203 12.356 1.00 95.12 O +ATOM 3502 CG PHE A 447 -15.613 -2.055 9.223 1.00 95.12 C +ATOM 3503 CD1 PHE A 447 -14.508 -2.750 8.705 1.00 95.12 C +ATOM 3504 CD2 PHE A 447 -16.004 -0.827 8.667 1.00 95.12 C +ATOM 3505 CE1 PHE A 447 -13.772 -2.194 7.650 1.00 95.12 C +ATOM 3506 CE2 PHE A 447 -15.276 -0.278 7.598 1.00 95.12 C +ATOM 3507 CZ PHE A 447 -14.158 -0.962 7.090 1.00 95.12 C +ATOM 3508 N VAL A 448 -17.008 -5.843 11.138 1.00 95.19 N +ATOM 3509 CA VAL A 448 -16.952 -6.887 12.173 1.00 95.19 C +ATOM 3510 C VAL A 448 -15.520 -7.383 12.374 1.00 95.19 C +ATOM 3511 CB VAL A 448 -17.884 -8.063 11.834 1.00 95.19 C +ATOM 3512 O VAL A 448 -14.687 -7.309 11.465 1.00 95.19 O +ATOM 3513 CG1 VAL A 448 -19.358 -7.649 11.853 1.00 95.19 C +ATOM 3514 CG2 VAL A 448 -17.578 -8.671 10.462 1.00 95.19 C +ATOM 3515 N GLU A 449 -15.224 -7.911 13.560 1.00 92.12 N +ATOM 3516 CA GLU A 449 -13.877 -8.384 13.904 1.00 92.12 C +ATOM 3517 C GLU A 449 -13.529 -9.693 13.175 1.00 92.12 C +ATOM 3518 CB GLU A 449 -13.782 -8.548 15.432 1.00 92.12 C +ATOM 3519 O GLU A 449 -12.466 -9.825 12.564 1.00 92.12 O +ATOM 3520 CG GLU A 449 -12.357 -8.901 15.894 1.00 92.12 C +ATOM 3521 CD GLU A 449 -12.243 -9.203 17.399 1.00 92.12 C +ATOM 3522 OE1 GLU A 449 -11.090 -9.392 17.846 1.00 92.12 O +ATOM 3523 OE2 GLU A 449 -13.289 -9.342 18.071 1.00 92.12 O +ATOM 3524 N THR A 450 -14.433 -10.677 13.214 1.00 92.12 N +ATOM 3525 CA THR A 450 -14.128 -12.052 12.786 1.00 92.12 C +ATOM 3526 C THR A 450 -14.834 -12.451 11.493 1.00 92.12 C +ATOM 3527 CB THR A 450 -14.384 -13.091 13.889 1.00 92.12 C +ATOM 3528 O THR A 450 -15.966 -12.055 11.225 1.00 92.12 O +ATOM 3529 CG2 THR A 450 -13.772 -12.730 15.240 1.00 92.12 C +ATOM 3530 OG1 THR A 450 -15.757 -13.322 14.081 1.00 92.12 O +ATOM 3531 N LYS A 451 -14.189 -13.326 10.708 1.00 92.50 N +ATOM 3532 CA LYS A 451 -14.743 -13.880 9.458 1.00 92.50 C +ATOM 3533 C LYS A 451 -16.096 -14.576 9.686 1.00 92.50 C +ATOM 3534 CB LYS A 451 -13.724 -14.835 8.811 1.00 92.50 C +ATOM 3535 O LYS A 451 -17.061 -14.272 9.005 1.00 92.50 O +ATOM 3536 CG LYS A 451 -12.344 -14.199 8.534 1.00 92.50 C +ATOM 3537 CD LYS A 451 -11.470 -15.198 7.768 1.00 92.50 C +ATOM 3538 CE LYS A 451 -10.019 -14.761 7.534 1.00 92.50 C +ATOM 3539 NZ LYS A 451 -9.256 -15.846 6.863 1.00 92.50 N +ATOM 3540 N LYS A 452 -16.188 -15.405 10.735 1.00 93.62 N +ATOM 3541 CA LYS A 452 -17.440 -16.064 11.155 1.00 93.62 C +ATOM 3542 C LYS A 452 -18.505 -15.084 11.652 1.00 93.62 C +ATOM 3543 CB LYS A 452 -17.159 -17.085 12.262 1.00 93.62 C +ATOM 3544 O LYS A 452 -19.691 -15.366 11.525 1.00 93.62 O +ATOM 3545 CG LYS A 452 -16.280 -18.241 11.778 1.00 93.62 C +ATOM 3546 CD LYS A 452 -16.198 -19.314 12.864 1.00 93.62 C +ATOM 3547 CE LYS A 452 -15.400 -20.501 12.329 1.00 93.62 C +ATOM 3548 NZ LYS A 452 -15.469 -21.647 13.262 1.00 93.62 N +ATOM 3549 N GLY A 453 -18.087 -13.958 12.234 1.00 93.94 N +ATOM 3550 CA GLY A 453 -18.978 -12.851 12.569 1.00 93.94 C +ATOM 3551 C GLY A 453 -19.588 -12.223 11.318 1.00 93.94 C +ATOM 3552 O GLY A 453 -20.780 -11.944 11.322 1.00 93.94 O +ATOM 3553 N ALA A 454 -18.812 -12.086 10.235 1.00 94.50 N +ATOM 3554 CA ALA A 454 -19.310 -11.583 8.953 1.00 94.50 C +ATOM 3555 C ALA A 454 -20.357 -12.520 8.341 1.00 94.50 C +ATOM 3556 CB ALA A 454 -18.142 -11.319 7.990 1.00 94.50 C +ATOM 3557 O ALA A 454 -21.454 -12.060 8.041 1.00 94.50 O +ATOM 3558 N ASP A 455 -20.052 -13.820 8.243 1.00 94.81 N +ATOM 3559 CA ASP A 455 -20.999 -14.838 7.762 1.00 94.81 C +ATOM 3560 C ASP A 455 -22.287 -14.841 8.608 1.00 94.81 C +ATOM 3561 CB ASP A 455 -20.346 -16.233 7.807 1.00 94.81 C +ATOM 3562 O ASP A 455 -23.386 -14.681 8.086 1.00 94.81 O +ATOM 3563 CG ASP A 455 -19.166 -16.425 6.848 1.00 94.81 C +ATOM 3564 OD1 ASP A 455 -19.336 -16.147 5.641 1.00 94.81 O +ATOM 3565 OD2 ASP A 455 -18.104 -16.904 7.318 1.00 94.81 O +ATOM 3566 N SER A 456 -22.165 -14.921 9.941 1.00 95.81 N +ATOM 3567 CA SER A 456 -23.333 -14.960 10.833 1.00 95.81 C +ATOM 3568 C SER A 456 -24.153 -13.664 10.841 1.00 95.81 C +ATOM 3569 CB SER A 456 -22.905 -15.279 12.269 1.00 95.81 C +ATOM 3570 O SER A 456 -25.316 -13.712 11.253 1.00 95.81 O +ATOM 3571 OG SER A 456 -24.051 -15.307 13.113 1.00 95.81 O +ATOM 3572 N LEU A 457 -23.563 -12.520 10.483 1.00 96.31 N +ATOM 3573 CA LEU A 457 -24.268 -11.242 10.404 1.00 96.31 C +ATOM 3574 C LEU A 457 -24.929 -11.051 9.033 1.00 96.31 C +ATOM 3575 CB LEU A 457 -23.303 -10.101 10.772 1.00 96.31 C +ATOM 3576 O LEU A 457 -26.044 -10.544 8.986 1.00 96.31 O +ATOM 3577 CG LEU A 457 -23.983 -8.733 10.962 1.00 96.31 C +ATOM 3578 CD1 LEU A 457 -24.945 -8.746 12.154 1.00 96.31 C +ATOM 3579 CD2 LEU A 457 -22.924 -7.665 11.236 1.00 96.31 C +ATOM 3580 N GLU A 458 -24.296 -11.508 7.947 1.00 95.75 N +ATOM 3581 CA GLU A 458 -24.920 -11.614 6.619 1.00 95.75 C +ATOM 3582 C GLU A 458 -26.145 -12.534 6.671 1.00 95.75 C +ATOM 3583 CB GLU A 458 -23.876 -12.109 5.596 1.00 95.75 C +ATOM 3584 O GLU A 458 -27.232 -12.109 6.287 1.00 95.75 O +ATOM 3585 CG GLU A 458 -24.421 -12.266 4.161 1.00 95.75 C +ATOM 3586 CD GLU A 458 -23.355 -12.731 3.148 1.00 95.75 C +ATOM 3587 OE1 GLU A 458 -23.321 -12.213 2.010 1.00 95.75 O +ATOM 3588 OE2 GLU A 458 -22.482 -13.569 3.477 1.00 95.75 O +ATOM 3589 N ASP A 459 -26.005 -13.740 7.233 1.00 96.12 N +ATOM 3590 CA ASP A 459 -27.119 -14.677 7.407 1.00 96.12 C +ATOM 3591 C ASP A 459 -28.266 -14.039 8.205 1.00 96.12 C +ATOM 3592 CB ASP A 459 -26.650 -15.946 8.145 1.00 96.12 C +ATOM 3593 O ASP A 459 -29.425 -14.138 7.808 1.00 96.12 O +ATOM 3594 CG ASP A 459 -25.881 -16.964 7.293 1.00 96.12 C +ATOM 3595 OD1 ASP A 459 -26.058 -16.964 6.055 1.00 96.12 O +ATOM 3596 OD2 ASP A 459 -25.198 -17.809 7.919 1.00 96.12 O +ATOM 3597 N PHE A 460 -27.961 -13.359 9.316 1.00 96.69 N +ATOM 3598 CA PHE A 460 -28.965 -12.679 10.138 1.00 96.69 C +ATOM 3599 C PHE A 460 -29.706 -11.587 9.352 1.00 96.69 C +ATOM 3600 CB PHE A 460 -28.289 -12.119 11.398 1.00 96.69 C +ATOM 3601 O PHE A 460 -30.932 -11.613 9.281 1.00 96.69 O +ATOM 3602 CG PHE A 460 -29.183 -11.239 12.252 1.00 96.69 C +ATOM 3603 CD1 PHE A 460 -28.978 -9.845 12.287 1.00 96.69 C +ATOM 3604 CD2 PHE A 460 -30.255 -11.805 12.967 1.00 96.69 C +ATOM 3605 CE1 PHE A 460 -29.827 -9.025 13.050 1.00 96.69 C +ATOM 3606 CE2 PHE A 460 -31.110 -10.984 13.722 1.00 96.69 C +ATOM 3607 CZ PHE A 460 -30.889 -9.597 13.772 1.00 96.69 C +ATOM 3608 N LEU A 461 -28.975 -10.673 8.709 1.00 96.38 N +ATOM 3609 CA LEU A 461 -29.562 -9.584 7.923 1.00 96.38 C +ATOM 3610 C LEU A 461 -30.402 -10.104 6.747 1.00 96.38 C +ATOM 3611 CB LEU A 461 -28.427 -8.672 7.430 1.00 96.38 C +ATOM 3612 O LEU A 461 -31.459 -9.543 6.460 1.00 96.38 O +ATOM 3613 CG LEU A 461 -27.765 -7.817 8.525 1.00 96.38 C +ATOM 3614 CD1 LEU A 461 -26.560 -7.091 7.923 1.00 96.38 C +ATOM 3615 CD2 LEU A 461 -28.721 -6.774 9.103 1.00 96.38 C +ATOM 3616 N TYR A 462 -29.981 -11.197 6.108 1.00 95.44 N +ATOM 3617 CA TYR A 462 -30.738 -11.837 5.035 1.00 95.44 C +ATOM 3618 C TYR A 462 -32.063 -12.444 5.529 1.00 95.44 C +ATOM 3619 CB TYR A 462 -29.850 -12.895 4.369 1.00 95.44 C +ATOM 3620 O TYR A 462 -33.090 -12.287 4.867 1.00 95.44 O +ATOM 3621 CG TYR A 462 -30.496 -13.541 3.159 1.00 95.44 C +ATOM 3622 CD1 TYR A 462 -31.164 -14.775 3.283 1.00 95.44 C +ATOM 3623 CD2 TYR A 462 -30.460 -12.879 1.917 1.00 95.44 C +ATOM 3624 CE1 TYR A 462 -31.797 -15.348 2.163 1.00 95.44 C +ATOM 3625 CE2 TYR A 462 -31.089 -13.449 0.794 1.00 95.44 C +ATOM 3626 OH TYR A 462 -32.376 -15.230 -0.165 1.00 95.44 O +ATOM 3627 CZ TYR A 462 -31.761 -14.685 0.919 1.00 95.44 C +ATOM 3628 N HIS A 463 -32.077 -13.089 6.704 1.00 95.88 N +ATOM 3629 CA HIS A 463 -33.308 -13.631 7.301 1.00 95.88 C +ATOM 3630 C HIS A 463 -34.286 -12.532 7.748 1.00 95.88 C +ATOM 3631 CB HIS A 463 -32.973 -14.568 8.471 1.00 95.88 C +ATOM 3632 O HIS A 463 -35.494 -12.711 7.606 1.00 95.88 O +ATOM 3633 CG HIS A 463 -32.464 -15.923 8.038 1.00 95.88 C +ATOM 3634 CD2 HIS A 463 -33.189 -17.078 7.922 1.00 95.88 C +ATOM 3635 ND1 HIS A 463 -31.176 -16.230 7.686 1.00 95.88 N +ATOM 3636 CE1 HIS A 463 -31.114 -17.531 7.369 1.00 95.88 C +ATOM 3637 NE2 HIS A 463 -32.325 -18.099 7.501 1.00 95.88 N +ATOM 3638 N GLU A 464 -33.780 -11.384 8.205 1.00 94.75 N +ATOM 3639 CA GLU A 464 -34.582 -10.183 8.498 1.00 94.75 C +ATOM 3640 C GLU A 464 -35.028 -9.425 7.221 1.00 94.75 C +ATOM 3641 CB GLU A 464 -33.805 -9.268 9.463 1.00 94.75 C +ATOM 3642 O GLU A 464 -35.733 -8.420 7.295 1.00 94.75 O +ATOM 3643 CG GLU A 464 -33.494 -9.891 10.837 1.00 94.75 C +ATOM 3644 CD GLU A 464 -34.741 -10.254 11.659 1.00 94.75 C +ATOM 3645 OE1 GLU A 464 -34.719 -11.335 12.295 1.00 94.75 O +ATOM 3646 OE2 GLU A 464 -35.697 -9.448 11.673 1.00 94.75 O +ATOM 3647 N GLY A 465 -34.656 -9.907 6.027 1.00 93.38 N +ATOM 3648 CA GLY A 465 -35.128 -9.392 4.736 1.00 93.38 C +ATOM 3649 C GLY A 465 -34.301 -8.253 4.129 1.00 93.38 C +ATOM 3650 O GLY A 465 -34.739 -7.642 3.150 1.00 93.38 O +ATOM 3651 N TYR A 466 -33.110 -7.962 4.657 1.00 94.19 N +ATOM 3652 CA TYR A 466 -32.221 -6.936 4.109 1.00 94.19 C +ATOM 3653 C TYR A 466 -31.383 -7.474 2.944 1.00 94.19 C +ATOM 3654 CB TYR A 466 -31.322 -6.333 5.197 1.00 94.19 C +ATOM 3655 O TYR A 466 -30.803 -8.558 2.998 1.00 94.19 O +ATOM 3656 CG TYR A 466 -32.067 -5.587 6.285 1.00 94.19 C +ATOM 3657 CD1 TYR A 466 -32.246 -4.187 6.224 1.00 94.19 C +ATOM 3658 CD2 TYR A 466 -32.617 -6.318 7.351 1.00 94.19 C +ATOM 3659 CE1 TYR A 466 -32.980 -3.524 7.233 1.00 94.19 C +ATOM 3660 CE2 TYR A 466 -33.358 -5.663 8.344 1.00 94.19 C +ATOM 3661 OH TYR A 466 -34.245 -3.680 9.293 1.00 94.19 O +ATOM 3662 CZ TYR A 466 -33.532 -4.269 8.300 1.00 94.19 C +ATOM 3663 N ALA A 467 -31.250 -6.666 1.890 1.00 93.88 N +ATOM 3664 CA ALA A 467 -30.352 -6.950 0.776 1.00 93.88 C +ATOM 3665 C ALA A 467 -28.894 -6.634 1.168 1.00 93.88 C +ATOM 3666 CB ALA A 467 -30.856 -6.199 -0.462 1.00 93.88 C +ATOM 3667 O ALA A 467 -28.388 -5.530 0.951 1.00 93.88 O +ATOM 3668 N CYS A 468 -28.224 -7.608 1.780 1.00 94.25 N +ATOM 3669 CA CYS A 468 -26.824 -7.527 2.186 1.00 94.25 C +ATOM 3670 C CYS A 468 -25.907 -8.440 1.358 1.00 94.25 C +ATOM 3671 CB CYS A 468 -26.726 -7.798 3.695 1.00 94.25 C +ATOM 3672 O CYS A 468 -26.354 -9.308 0.610 1.00 94.25 O +ATOM 3673 SG CYS A 468 -27.325 -9.466 4.083 1.00 94.25 S +ATOM 3674 N THR A 469 -24.601 -8.228 1.495 1.00 94.06 N +ATOM 3675 CA THR A 469 -23.545 -9.122 1.005 1.00 94.06 C +ATOM 3676 C THR A 469 -22.320 -9.022 1.925 1.00 94.06 C +ATOM 3677 CB THR A 469 -23.220 -8.804 -0.465 1.00 94.06 C +ATOM 3678 O THR A 469 -22.160 -8.006 2.609 1.00 94.06 O +ATOM 3679 CG2 THR A 469 -22.643 -7.407 -0.692 1.00 94.06 C +ATOM 3680 OG1 THR A 469 -22.297 -9.729 -0.983 1.00 94.06 O +ATOM 3681 N SER A 470 -21.458 -10.041 1.985 1.00 93.31 N +ATOM 3682 CA SER A 470 -20.258 -10.039 2.837 1.00 93.31 C +ATOM 3683 C SER A 470 -18.923 -10.099 2.086 1.00 93.31 C +ATOM 3684 CB SER A 470 -20.331 -11.130 3.906 1.00 93.31 C +ATOM 3685 O SER A 470 -18.801 -10.617 0.975 1.00 93.31 O +ATOM 3686 OG SER A 470 -20.143 -12.401 3.336 1.00 93.31 O +ATOM 3687 N ILE A 471 -17.872 -9.570 2.723 1.00 89.44 N +ATOM 3688 CA ILE A 471 -16.493 -9.644 2.239 1.00 89.44 C +ATOM 3689 C ILE A 471 -15.504 -9.927 3.385 1.00 89.44 C +ATOM 3690 CB ILE A 471 -16.163 -8.403 1.373 1.00 89.44 C +ATOM 3691 O ILE A 471 -15.307 -9.154 4.326 1.00 89.44 O +ATOM 3692 CG1 ILE A 471 -14.987 -8.727 0.429 1.00 89.44 C +ATOM 3693 CG2 ILE A 471 -15.971 -7.115 2.194 1.00 89.44 C +ATOM 3694 CD1 ILE A 471 -14.443 -7.530 -0.359 1.00 89.44 C +ATOM 3695 N HIS A 472 -14.832 -11.072 3.303 1.00 89.31 N +ATOM 3696 CA HIS A 472 -13.798 -11.496 4.249 1.00 89.31 C +ATOM 3697 C HIS A 472 -12.782 -12.409 3.561 1.00 89.31 C +ATOM 3698 CB HIS A 472 -14.428 -12.158 5.485 1.00 89.31 C +ATOM 3699 O HIS A 472 -13.025 -12.915 2.468 1.00 89.31 O +ATOM 3700 CG HIS A 472 -15.300 -13.341 5.173 1.00 89.31 C +ATOM 3701 CD2 HIS A 472 -16.584 -13.268 4.706 1.00 89.31 C +ATOM 3702 ND1 HIS A 472 -15.004 -14.680 5.354 1.00 89.31 N +ATOM 3703 CE1 HIS A 472 -16.099 -15.388 5.025 1.00 89.31 C +ATOM 3704 NE2 HIS A 472 -17.053 -14.566 4.578 1.00 89.31 N +ATOM 3705 N GLY A 473 -11.629 -12.619 4.201 1.00 81.50 N +ATOM 3706 CA GLY A 473 -10.495 -13.336 3.603 1.00 81.50 C +ATOM 3707 C GLY A 473 -10.685 -14.839 3.342 1.00 81.50 C +ATOM 3708 O GLY A 473 -9.730 -15.456 2.894 1.00 81.50 O +ATOM 3709 N ASP A 474 -11.857 -15.419 3.634 1.00 84.88 N +ATOM 3710 CA ASP A 474 -12.186 -16.818 3.282 1.00 84.88 C +ATOM 3711 C ASP A 474 -13.151 -16.921 2.083 1.00 84.88 C +ATOM 3712 CB ASP A 474 -12.752 -17.587 4.496 1.00 84.88 C +ATOM 3713 O ASP A 474 -13.342 -18.012 1.548 1.00 84.88 O +ATOM 3714 CG ASP A 474 -11.764 -17.780 5.650 1.00 84.88 C +ATOM 3715 OD1 ASP A 474 -10.542 -17.607 5.452 1.00 84.88 O +ATOM 3716 OD2 ASP A 474 -12.217 -17.955 6.802 1.00 84.88 O +ATOM 3717 N ARG A 475 -13.748 -15.806 1.627 1.00 85.31 N +ATOM 3718 CA ARG A 475 -14.540 -15.777 0.384 1.00 85.31 C +ATOM 3719 C ARG A 475 -13.606 -15.920 -0.810 1.00 85.31 C +ATOM 3720 CB ARG A 475 -15.374 -14.485 0.273 1.00 85.31 C +ATOM 3721 O ARG A 475 -12.509 -15.350 -0.805 1.00 85.31 O +ATOM 3722 CG ARG A 475 -16.503 -14.396 1.308 1.00 85.31 C +ATOM 3723 CD ARG A 475 -17.662 -15.378 1.056 1.00 85.31 C +ATOM 3724 NE ARG A 475 -18.595 -15.432 2.201 1.00 85.31 N +ATOM 3725 NH1 ARG A 475 -20.630 -15.034 1.170 1.00 85.31 N +ATOM 3726 NH2 ARG A 475 -20.559 -15.468 3.324 1.00 85.31 N +ATOM 3727 CZ ARG A 475 -19.912 -15.319 2.216 1.00 85.31 C +ATOM 3728 N SER A 476 -14.040 -16.627 -1.856 1.00 85.75 N +ATOM 3729 CA SER A 476 -13.231 -16.698 -3.069 1.00 85.75 C +ATOM 3730 C SER A 476 -13.112 -15.303 -3.673 1.00 85.75 C +ATOM 3731 CB SER A 476 -13.750 -17.728 -4.079 1.00 85.75 C +ATOM 3732 O SER A 476 -13.989 -14.448 -3.533 1.00 85.75 O +ATOM 3733 OG SER A 476 -14.666 -17.166 -4.993 1.00 85.75 O +ATOM 3734 N GLN A 477 -12.009 -15.041 -4.364 1.00 77.62 N +ATOM 3735 CA GLN A 477 -11.752 -13.699 -4.866 1.00 77.62 C +ATOM 3736 C GLN A 477 -12.761 -13.248 -5.939 1.00 77.62 C +ATOM 3737 CB GLN A 477 -10.309 -13.671 -5.350 1.00 77.62 C +ATOM 3738 O GLN A 477 -12.965 -12.048 -6.110 1.00 77.62 O +ATOM 3739 CG GLN A 477 -9.849 -12.271 -5.737 1.00 77.62 C +ATOM 3740 CD GLN A 477 -10.045 -11.212 -4.666 1.00 77.62 C +ATOM 3741 NE2 GLN A 477 -10.759 -10.141 -4.931 1.00 77.62 N +ATOM 3742 OE1 GLN A 477 -9.511 -11.327 -3.578 1.00 77.62 O +ATOM 3743 N ARG A 478 -13.428 -14.199 -6.608 1.00 86.25 N +ATOM 3744 CA ARG A 478 -14.575 -13.927 -7.481 1.00 86.25 C +ATOM 3745 C ARG A 478 -15.775 -13.434 -6.672 1.00 86.25 C +ATOM 3746 CB ARG A 478 -14.911 -15.197 -8.273 1.00 86.25 C +ATOM 3747 O ARG A 478 -16.368 -12.431 -7.047 1.00 86.25 O +ATOM 3748 CG ARG A 478 -16.123 -14.985 -9.188 1.00 86.25 C +ATOM 3749 CD ARG A 478 -16.447 -16.266 -9.953 1.00 86.25 C +ATOM 3750 NE ARG A 478 -17.707 -16.101 -10.691 1.00 86.25 N +ATOM 3751 NH1 ARG A 478 -17.715 -18.129 -11.761 1.00 86.25 N +ATOM 3752 NH2 ARG A 478 -19.426 -16.711 -12.030 1.00 86.25 N +ATOM 3753 CZ ARG A 478 -18.271 -16.979 -11.494 1.00 86.25 C +ATOM 3754 N ASP A 479 -16.087 -14.091 -5.556 1.00 88.62 N +ATOM 3755 CA ASP A 479 -17.194 -13.699 -4.673 1.00 88.62 C +ATOM 3756 C ASP A 479 -16.927 -12.319 -4.060 1.00 88.62 C +ATOM 3757 CB ASP A 479 -17.413 -14.723 -3.541 1.00 88.62 C +ATOM 3758 O ASP A 479 -17.831 -11.498 -3.971 1.00 88.62 O +ATOM 3759 CG ASP A 479 -17.302 -16.186 -3.969 1.00 88.62 C +ATOM 3760 OD1 ASP A 479 -17.707 -16.529 -5.099 1.00 88.62 O +ATOM 3761 OD2 ASP A 479 -16.637 -16.948 -3.230 1.00 88.62 O +ATOM 3762 N ARG A 480 -15.664 -12.021 -3.709 1.00 84.00 N +ATOM 3763 CA ARG A 480 -15.248 -10.688 -3.239 1.00 84.00 C +ATOM 3764 C ARG A 480 -15.495 -9.608 -4.300 1.00 84.00 C +ATOM 3765 CB ARG A 480 -13.774 -10.695 -2.785 1.00 84.00 C +ATOM 3766 O ARG A 480 -16.001 -8.543 -3.969 1.00 84.00 O +ATOM 3767 CG ARG A 480 -13.505 -11.585 -1.555 1.00 84.00 C +ATOM 3768 CD ARG A 480 -12.064 -11.472 -1.024 1.00 84.00 C +ATOM 3769 NE ARG A 480 -11.783 -10.139 -0.439 1.00 84.00 N +ATOM 3770 NH1 ARG A 480 -9.731 -9.692 -1.404 1.00 84.00 N +ATOM 3771 NH2 ARG A 480 -10.703 -8.127 -0.232 1.00 84.00 N +ATOM 3772 CZ ARG A 480 -10.747 -9.350 -0.678 1.00 84.00 C +ATOM 3773 N GLU A 481 -15.167 -9.864 -5.567 1.00 82.00 N +ATOM 3774 CA GLU A 481 -15.443 -8.923 -6.666 1.00 82.00 C +ATOM 3775 C GLU A 481 -16.942 -8.786 -6.958 1.00 82.00 C +ATOM 3776 CB GLU A 481 -14.673 -9.340 -7.931 1.00 82.00 C +ATOM 3777 O GLU A 481 -17.420 -7.681 -7.218 1.00 82.00 O +ATOM 3778 CG GLU A 481 -13.184 -9.019 -7.754 1.00 82.00 C +ATOM 3779 CD GLU A 481 -12.294 -9.404 -8.940 1.00 82.00 C +ATOM 3780 OE1 GLU A 481 -11.225 -8.759 -9.067 1.00 82.00 O +ATOM 3781 OE2 GLU A 481 -12.523 -10.429 -9.619 1.00 82.00 O +ATOM 3782 N GLU A 482 -17.698 -9.880 -6.860 1.00 88.44 N +ATOM 3783 CA GLU A 482 -19.147 -9.867 -7.039 1.00 88.44 C +ATOM 3784 C GLU A 482 -19.857 -9.096 -5.916 1.00 88.44 C +ATOM 3785 CB GLU A 482 -19.663 -11.305 -7.208 1.00 88.44 C +ATOM 3786 O GLU A 482 -20.667 -8.222 -6.218 1.00 88.44 O +ATOM 3787 CG GLU A 482 -21.140 -11.272 -7.618 1.00 88.44 C +ATOM 3788 CD GLU A 482 -21.724 -12.615 -8.073 1.00 88.44 C +ATOM 3789 OE1 GLU A 482 -22.976 -12.673 -8.077 1.00 88.44 O +ATOM 3790 OE2 GLU A 482 -20.962 -13.508 -8.522 1.00 88.44 O +ATOM 3791 N ALA A 483 -19.494 -9.316 -4.649 1.00 89.25 N +ATOM 3792 CA ALA A 483 -19.999 -8.565 -3.497 1.00 89.25 C +ATOM 3793 C ALA A 483 -19.747 -7.054 -3.649 1.00 89.25 C +ATOM 3794 CB ALA A 483 -19.324 -9.115 -2.233 1.00 89.25 C +ATOM 3795 O ALA A 483 -20.651 -6.236 -3.473 1.00 89.25 O +ATOM 3796 N LEU A 484 -18.537 -6.664 -4.073 1.00 84.62 N +ATOM 3797 CA LEU A 484 -18.208 -5.261 -4.350 1.00 84.62 C +ATOM 3798 C LEU A 484 -19.018 -4.689 -5.515 1.00 84.62 C +ATOM 3799 CB LEU A 484 -16.706 -5.124 -4.641 1.00 84.62 C +ATOM 3800 O LEU A 484 -19.418 -3.527 -5.462 1.00 84.62 O +ATOM 3801 CG LEU A 484 -15.820 -5.407 -3.422 1.00 84.62 C +ATOM 3802 CD1 LEU A 484 -14.354 -5.483 -3.852 1.00 84.62 C +ATOM 3803 CD2 LEU A 484 -15.953 -4.341 -2.342 1.00 84.62 C +ATOM 3804 N HIS A 485 -19.284 -5.478 -6.557 1.00 85.88 N +ATOM 3805 CA HIS A 485 -20.129 -5.056 -7.670 1.00 85.88 C +ATOM 3806 C HIS A 485 -21.604 -4.918 -7.252 1.00 85.88 C +ATOM 3807 CB HIS A 485 -19.940 -6.027 -8.842 1.00 85.88 C +ATOM 3808 O HIS A 485 -22.253 -3.940 -7.625 1.00 85.88 O +ATOM 3809 CG HIS A 485 -20.717 -5.616 -10.065 1.00 85.88 C +ATOM 3810 CD2 HIS A 485 -21.892 -6.165 -10.500 1.00 85.88 C +ATOM 3811 ND1 HIS A 485 -20.413 -4.581 -10.919 1.00 85.88 N +ATOM 3812 CE1 HIS A 485 -21.385 -4.507 -11.844 1.00 85.88 C +ATOM 3813 NE2 HIS A 485 -22.317 -5.453 -11.629 1.00 85.88 N +ATOM 3814 N GLN A 486 -22.135 -5.839 -6.441 1.00 90.62 N +ATOM 3815 CA GLN A 486 -23.490 -5.763 -5.881 1.00 90.62 C +ATOM 3816 C GLN A 486 -23.658 -4.540 -4.962 1.00 90.62 C +ATOM 3817 CB GLN A 486 -23.825 -7.063 -5.129 1.00 90.62 C +ATOM 3818 O GLN A 486 -24.654 -3.826 -5.090 1.00 90.62 O +ATOM 3819 CG GLN A 486 -24.012 -8.293 -6.042 1.00 90.62 C +ATOM 3820 CD GLN A 486 -24.345 -9.561 -5.251 1.00 90.62 C +ATOM 3821 NE2 GLN A 486 -24.254 -10.741 -5.830 1.00 90.62 N +ATOM 3822 OE1 GLN A 486 -24.734 -9.516 -4.098 1.00 90.62 O +ATOM 3823 N PHE A 487 -22.662 -4.237 -4.121 1.00 89.38 N +ATOM 3824 CA PHE A 487 -22.654 -3.053 -3.254 1.00 89.38 C +ATOM 3825 C PHE A 487 -22.532 -1.748 -4.054 1.00 89.38 C +ATOM 3826 CB PHE A 487 -21.536 -3.206 -2.211 1.00 89.38 C +ATOM 3827 O PHE A 487 -23.375 -0.864 -3.924 1.00 89.38 O +ATOM 3828 CG PHE A 487 -21.504 -2.155 -1.109 1.00 89.38 C +ATOM 3829 CD1 PHE A 487 -20.319 -1.452 -0.818 1.00 89.38 C +ATOM 3830 CD2 PHE A 487 -22.618 -1.975 -0.270 1.00 89.38 C +ATOM 3831 CE1 PHE A 487 -20.258 -0.609 0.311 1.00 89.38 C +ATOM 3832 CE2 PHE A 487 -22.558 -1.107 0.830 1.00 89.38 C +ATOM 3833 CZ PHE A 487 -21.380 -0.417 1.122 1.00 89.38 C +ATOM 3834 N ARG A 488 -21.549 -1.638 -4.964 1.00 83.88 N +ATOM 3835 CA ARG A 488 -21.360 -0.445 -5.820 1.00 83.88 C +ATOM 3836 C ARG A 488 -22.552 -0.165 -6.743 1.00 83.88 C +ATOM 3837 CB ARG A 488 -20.087 -0.586 -6.672 1.00 83.88 C +ATOM 3838 O ARG A 488 -22.794 0.991 -7.069 1.00 83.88 O +ATOM 3839 CG ARG A 488 -18.767 -0.374 -5.908 1.00 83.88 C +ATOM 3840 CD ARG A 488 -17.601 -0.654 -6.871 1.00 83.88 C +ATOM 3841 NE ARG A 488 -16.270 -0.334 -6.309 1.00 83.88 N +ATOM 3842 NH1 ARG A 488 -15.040 -0.805 -8.203 1.00 83.88 N +ATOM 3843 NH2 ARG A 488 -14.003 -0.056 -6.401 1.00 83.88 N +ATOM 3844 CZ ARG A 488 -15.119 -0.404 -6.965 1.00 83.88 C +ATOM 3845 N SER A 489 -23.281 -1.197 -7.177 1.00 86.12 N +ATOM 3846 CA SER A 489 -24.494 -1.046 -8.001 1.00 86.12 C +ATOM 3847 C SER A 489 -25.774 -0.803 -7.193 1.00 86.12 C +ATOM 3848 CB SER A 489 -24.671 -2.226 -8.968 1.00 86.12 C +ATOM 3849 O SER A 489 -26.834 -0.645 -7.793 1.00 86.12 O +ATOM 3850 OG SER A 489 -24.786 -3.470 -8.304 1.00 86.12 O +ATOM 3851 N GLY A 490 -25.705 -0.792 -5.856 1.00 86.88 N +ATOM 3852 CA GLY A 490 -26.868 -0.619 -4.981 1.00 86.88 C +ATOM 3853 C GLY A 490 -27.836 -1.809 -4.952 1.00 86.88 C +ATOM 3854 O GLY A 490 -28.889 -1.705 -4.333 1.00 86.88 O +ATOM 3855 N LYS A 491 -27.501 -2.945 -5.585 1.00 90.62 N +ATOM 3856 CA LYS A 491 -28.314 -4.178 -5.534 1.00 90.62 C +ATOM 3857 C LYS A 491 -28.390 -4.756 -4.122 1.00 90.62 C +ATOM 3858 CB LYS A 491 -27.734 -5.247 -6.465 1.00 90.62 C +ATOM 3859 O LYS A 491 -29.448 -5.218 -3.711 1.00 90.62 O +ATOM 3860 CG LYS A 491 -27.966 -4.930 -7.943 1.00 90.62 C +ATOM 3861 CD LYS A 491 -27.313 -6.028 -8.785 1.00 90.62 C +ATOM 3862 CE LYS A 491 -27.546 -5.763 -10.270 1.00 90.62 C +ATOM 3863 NZ LYS A 491 -26.820 -6.759 -11.092 1.00 90.62 N +ATOM 3864 N SER A 492 -27.267 -4.695 -3.411 1.00 92.38 N +ATOM 3865 CA SER A 492 -27.148 -5.056 -2.000 1.00 92.38 C +ATOM 3866 C SER A 492 -26.531 -3.864 -1.271 1.00 92.38 C +ATOM 3867 CB SER A 492 -26.302 -6.327 -1.826 1.00 92.38 C +ATOM 3868 O SER A 492 -25.308 -3.797 -1.193 1.00 92.38 O +ATOM 3869 OG SER A 492 -26.912 -7.421 -2.480 1.00 92.38 O +ATOM 3870 N PRO A 493 -27.322 -2.875 -0.804 1.00 92.69 N +ATOM 3871 CA PRO A 493 -26.819 -1.617 -0.239 1.00 92.69 C +ATOM 3872 C PRO A 493 -26.144 -1.756 1.136 1.00 92.69 C +ATOM 3873 CB PRO A 493 -28.035 -0.684 -0.187 1.00 92.69 C +ATOM 3874 O PRO A 493 -25.735 -0.748 1.710 1.00 92.69 O +ATOM 3875 CG PRO A 493 -29.198 -1.653 -0.000 1.00 92.69 C +ATOM 3876 CD PRO A 493 -28.776 -2.830 -0.875 1.00 92.69 C +ATOM 3877 N ILE A 494 -26.007 -2.975 1.666 1.00 94.19 N +ATOM 3878 CA ILE A 494 -25.306 -3.272 2.918 1.00 94.19 C +ATOM 3879 C ILE A 494 -24.152 -4.239 2.634 1.00 94.19 C +ATOM 3880 CB ILE A 494 -26.289 -3.831 3.969 1.00 94.19 C +ATOM 3881 O ILE A 494 -24.378 -5.355 2.166 1.00 94.19 O +ATOM 3882 CG1 ILE A 494 -27.422 -2.827 4.289 1.00 94.19 C +ATOM 3883 CG2 ILE A 494 -25.536 -4.181 5.267 1.00 94.19 C +ATOM 3884 CD1 ILE A 494 -28.674 -3.527 4.823 1.00 94.19 C +ATOM 3885 N LEU A 495 -22.922 -3.830 2.952 1.00 93.56 N +ATOM 3886 CA LEU A 495 -21.724 -4.669 2.855 1.00 93.56 C +ATOM 3887 C LEU A 495 -21.187 -4.974 4.256 1.00 93.56 C +ATOM 3888 CB LEU A 495 -20.688 -3.979 1.949 1.00 93.56 C +ATOM 3889 O LEU A 495 -20.757 -4.063 4.960 1.00 93.56 O +ATOM 3890 CG LEU A 495 -19.340 -4.709 1.791 1.00 93.56 C +ATOM 3891 CD1 LEU A 495 -19.487 -6.092 1.165 1.00 93.56 C +ATOM 3892 CD2 LEU A 495 -18.417 -3.921 0.858 1.00 93.56 C +ATOM 3893 N VAL A 496 -21.175 -6.248 4.648 1.00 95.00 N +ATOM 3894 CA VAL A 496 -20.558 -6.712 5.900 1.00 95.00 C +ATOM 3895 C VAL A 496 -19.099 -7.077 5.632 1.00 95.00 C +ATOM 3896 CB VAL A 496 -21.327 -7.895 6.517 1.00 95.00 C +ATOM 3897 O VAL A 496 -18.812 -7.952 4.819 1.00 95.00 O +ATOM 3898 CG1 VAL A 496 -20.706 -8.290 7.862 1.00 95.00 C +ATOM 3899 CG2 VAL A 496 -22.803 -7.554 6.769 1.00 95.00 C +ATOM 3900 N ALA A 497 -18.153 -6.424 6.299 1.00 92.62 N +ATOM 3901 CA ALA A 497 -16.732 -6.552 6.006 1.00 92.62 C +ATOM 3902 C ALA A 497 -15.878 -6.827 7.247 1.00 92.62 C +ATOM 3903 CB ALA A 497 -16.262 -5.295 5.270 1.00 92.62 C +ATOM 3904 O ALA A 497 -16.055 -6.224 8.304 1.00 92.62 O +ATOM 3905 N THR A 498 -14.868 -7.681 7.082 1.00 90.19 N +ATOM 3906 CA THR A 498 -13.747 -7.747 8.036 1.00 90.19 C +ATOM 3907 C THR A 498 -12.670 -6.724 7.682 1.00 90.19 C +ATOM 3908 CB THR A 498 -13.119 -9.143 8.146 1.00 90.19 C +ATOM 3909 O THR A 498 -12.489 -6.365 6.513 1.00 90.19 O +ATOM 3910 CG2 THR A 498 -14.082 -10.181 8.712 1.00 90.19 C +ATOM 3911 OG1 THR A 498 -12.696 -9.601 6.880 1.00 90.19 O +ATOM 3912 N ALA A 499 -11.895 -6.320 8.688 1.00 74.75 N +ATOM 3913 CA ALA A 499 -10.735 -5.434 8.589 1.00 74.75 C +ATOM 3914 C ALA A 499 -9.859 -5.665 7.341 1.00 74.75 C +ATOM 3915 CB ALA A 499 -9.915 -5.703 9.851 1.00 74.75 C +ATOM 3916 O ALA A 499 -9.623 -4.755 6.546 1.00 74.75 O +ATOM 3917 N VAL A 500 -9.408 -6.909 7.146 1.00 65.06 N +ATOM 3918 CA VAL A 500 -8.506 -7.321 6.054 1.00 65.06 C +ATOM 3919 C VAL A 500 -9.141 -7.128 4.675 1.00 65.06 C +ATOM 3920 CB VAL A 500 -8.097 -8.800 6.239 1.00 65.06 C +ATOM 3921 O VAL A 500 -8.442 -6.820 3.717 1.00 65.06 O +ATOM 3922 CG1 VAL A 500 -7.131 -9.297 5.155 1.00 65.06 C +ATOM 3923 CG2 VAL A 500 -7.413 -9.020 7.596 1.00 65.06 C +ATOM 3924 N ALA A 501 -10.459 -7.299 4.567 1.00 59.78 N +ATOM 3925 CA ALA A 501 -11.159 -7.288 3.289 1.00 59.78 C +ATOM 3926 C ALA A 501 -11.656 -5.902 2.858 1.00 59.78 C +ATOM 3927 CB ALA A 501 -12.301 -8.291 3.384 1.00 59.78 C +ATOM 3928 O ALA A 501 -11.811 -5.689 1.657 1.00 59.78 O +ATOM 3929 N ALA A 502 -11.900 -4.989 3.806 1.00 57.75 N +ATOM 3930 CA ALA A 502 -12.287 -3.606 3.513 1.00 57.75 C +ATOM 3931 C ALA A 502 -11.108 -2.621 3.431 1.00 57.75 C +ATOM 3932 CB ALA A 502 -13.374 -3.170 4.489 1.00 57.75 C +ATOM 3933 O ALA A 502 -11.220 -1.550 2.821 1.00 57.75 O +ATOM 3934 N ARG A 503 -9.951 -3.004 3.983 1.00 64.06 N +ATOM 3935 CA ARG A 503 -8.657 -2.375 3.710 1.00 64.06 C +ATOM 3936 C ARG A 503 -8.438 -2.287 2.186 1.00 64.06 C +ATOM 3937 CB ARG A 503 -7.564 -3.195 4.438 1.00 64.06 C +ATOM 3938 O ARG A 503 -8.402 -3.292 1.491 1.00 64.06 O +ATOM 3939 CG ARG A 503 -7.220 -2.652 5.845 1.00 64.06 C +ATOM 3940 CD ARG A 503 -6.015 -3.400 6.463 1.00 64.06 C +ATOM 3941 NE ARG A 503 -5.522 -2.803 7.734 1.00 64.06 N +ATOM 3942 NH1 ARG A 503 -6.594 -4.206 9.177 1.00 64.06 N +ATOM 3943 NH2 ARG A 503 -5.330 -2.608 10.019 1.00 64.06 N +ATOM 3944 CZ ARG A 503 -5.803 -3.203 8.964 1.00 64.06 C +ATOM 3945 N GLY A 504 -8.292 -1.064 1.671 1.00 53.22 N +ATOM 3946 CA GLY A 504 -7.918 -0.784 0.275 1.00 53.22 C +ATOM 3947 C GLY A 504 -9.068 -0.750 -0.725 1.00 53.22 C +ATOM 3948 O GLY A 504 -8.840 -0.485 -1.899 1.00 53.22 O +ATOM 3949 N LEU A 505 -10.306 -0.954 -0.272 1.00 62.66 N +ATOM 3950 CA LEU A 505 -11.473 -0.719 -1.109 1.00 62.66 C +ATOM 3951 C LEU A 505 -11.686 0.786 -1.283 1.00 62.66 C +ATOM 3952 CB LEU A 505 -12.721 -1.351 -0.476 1.00 62.66 C +ATOM 3953 O LEU A 505 -11.982 1.486 -0.305 1.00 62.66 O +ATOM 3954 CG LEU A 505 -12.641 -2.845 -0.141 1.00 62.66 C +ATOM 3955 CD1 LEU A 505 -14.003 -3.259 0.412 1.00 62.66 C +ATOM 3956 CD2 LEU A 505 -12.308 -3.692 -1.359 1.00 62.66 C +ATOM 3957 N ASP A 506 -11.597 1.292 -2.510 1.00 59.22 N +ATOM 3958 CA ASP A 506 -12.318 2.514 -2.847 1.00 59.22 C +ATOM 3959 C ASP A 506 -13.762 2.170 -3.173 1.00 59.22 C +ATOM 3960 CB ASP A 506 -11.627 3.351 -3.917 1.00 59.22 C +ATOM 3961 O ASP A 506 -14.089 1.602 -4.218 1.00 59.22 O +ATOM 3962 CG ASP A 506 -12.293 4.724 -4.072 1.00 59.22 C +ATOM 3963 OD1 ASP A 506 -12.712 5.276 -3.022 1.00 59.22 O +ATOM 3964 OD2 ASP A 506 -12.337 5.232 -5.209 1.00 59.22 O +ATOM 3965 N ILE A 507 -14.627 2.458 -2.210 1.00 67.31 N +ATOM 3966 CA ILE A 507 -16.061 2.380 -2.390 1.00 67.31 C +ATOM 3967 C ILE A 507 -16.562 3.815 -2.411 1.00 67.31 C +ATOM 3968 CB ILE A 507 -16.758 1.531 -1.315 1.00 67.31 C +ATOM 3969 O ILE A 507 -16.680 4.471 -1.376 1.00 67.31 O +ATOM 3970 CG1 ILE A 507 -15.984 0.250 -0.933 1.00 67.31 C +ATOM 3971 CG2 ILE A 507 -18.164 1.242 -1.867 1.00 67.31 C +ATOM 3972 CD1 ILE A 507 -16.655 -0.559 0.180 1.00 67.31 C +ATOM 3973 N SER A 508 -16.843 4.306 -3.611 1.00 64.81 N +ATOM 3974 CA SER A 508 -17.531 5.574 -3.797 1.00 64.81 C +ATOM 3975 C SER A 508 -18.893 5.546 -3.102 1.00 64.81 C +ATOM 3976 CB SER A 508 -17.716 5.840 -5.293 1.00 64.81 C +ATOM 3977 O SER A 508 -19.623 4.562 -3.212 1.00 64.81 O +ATOM 3978 OG SER A 508 -18.349 4.731 -5.911 1.00 64.81 O +ATOM 3979 N ASN A 509 -19.266 6.662 -2.479 1.00 70.38 N +ATOM 3980 CA ASN A 509 -20.619 6.929 -1.981 1.00 70.38 C +ATOM 3981 C ASN A 509 -21.109 6.030 -0.824 1.00 70.38 C +ATOM 3982 CB ASN A 509 -21.604 7.023 -3.168 1.00 70.38 C +ATOM 3983 O ASN A 509 -22.318 5.944 -0.602 1.00 70.38 O +ATOM 3984 CG ASN A 509 -21.125 7.943 -4.280 1.00 70.38 C +ATOM 3985 ND2 ASN A 509 -21.521 7.692 -5.505 1.00 70.38 N +ATOM 3986 OD1 ASN A 509 -20.374 8.882 -4.069 1.00 70.38 O +ATOM 3987 N VAL A 510 -20.206 5.430 -0.032 1.00 86.25 N +ATOM 3988 CA VAL A 510 -20.572 4.987 1.330 1.00 86.25 C +ATOM 3989 C VAL A 510 -21.044 6.217 2.098 1.00 86.25 C +ATOM 3990 CB VAL A 510 -19.412 4.322 2.098 1.00 86.25 C +ATOM 3991 O VAL A 510 -20.291 7.181 2.224 1.00 86.25 O +ATOM 3992 CG1 VAL A 510 -19.869 3.798 3.468 1.00 86.25 C +ATOM 3993 CG2 VAL A 510 -18.788 3.158 1.316 1.00 86.25 C +ATOM 3994 N LYS A 511 -22.283 6.193 2.596 1.00 88.75 N +ATOM 3995 CA LYS A 511 -22.811 7.260 3.458 1.00 88.75 C +ATOM 3996 C LYS A 511 -22.578 6.920 4.923 1.00 88.75 C +ATOM 3997 CB LYS A 511 -24.295 7.520 3.167 1.00 88.75 C +ATOM 3998 O LYS A 511 -22.102 7.771 5.671 1.00 88.75 O +ATOM 3999 CG LYS A 511 -24.515 8.221 1.816 1.00 88.75 C +ATOM 4000 CD LYS A 511 -26.012 8.476 1.614 1.00 88.75 C +ATOM 4001 CE LYS A 511 -26.340 9.042 0.230 1.00 88.75 C +ATOM 4002 NZ LYS A 511 -27.752 8.759 -0.132 1.00 88.75 N +ATOM 4003 N HIS A 512 -22.836 5.670 5.308 1.00 92.69 N +ATOM 4004 CA HIS A 512 -22.751 5.212 6.694 1.00 92.69 C +ATOM 4005 C HIS A 512 -21.702 4.107 6.848 1.00 92.69 C +ATOM 4006 CB HIS A 512 -24.149 4.771 7.150 1.00 92.69 C +ATOM 4007 O HIS A 512 -21.762 3.079 6.179 1.00 92.69 O +ATOM 4008 CG HIS A 512 -24.371 4.662 8.639 1.00 92.69 C +ATOM 4009 CD2 HIS A 512 -23.505 4.971 9.651 1.00 92.69 C +ATOM 4010 ND1 HIS A 512 -25.596 4.316 9.200 1.00 92.69 N +ATOM 4011 CE1 HIS A 512 -25.451 4.417 10.526 1.00 92.69 C +ATOM 4012 NE2 HIS A 512 -24.206 4.815 10.825 1.00 92.69 N +ATOM 4013 N VAL A 513 -20.733 4.312 7.737 1.00 93.19 N +ATOM 4014 CA VAL A 513 -19.856 3.254 8.253 1.00 93.19 C +ATOM 4015 C VAL A 513 -20.347 2.870 9.644 1.00 93.19 C +ATOM 4016 CB VAL A 513 -18.383 3.704 8.273 1.00 93.19 C +ATOM 4017 O VAL A 513 -20.506 3.738 10.499 1.00 93.19 O +ATOM 4018 CG1 VAL A 513 -17.481 2.680 8.971 1.00 93.19 C +ATOM 4019 CG2 VAL A 513 -17.852 3.866 6.843 1.00 93.19 C +ATOM 4020 N ILE A 514 -20.560 1.580 9.888 1.00 95.94 N +ATOM 4021 CA ILE A 514 -20.941 1.051 11.199 1.00 95.94 C +ATOM 4022 C ILE A 514 -19.818 0.144 11.698 1.00 95.94 C +ATOM 4023 CB ILE A 514 -22.318 0.345 11.152 1.00 95.94 C +ATOM 4024 O ILE A 514 -19.594 -0.921 11.132 1.00 95.94 O +ATOM 4025 CG1 ILE A 514 -23.413 1.321 10.656 1.00 95.94 C +ATOM 4026 CG2 ILE A 514 -22.665 -0.194 12.555 1.00 95.94 C +ATOM 4027 CD1 ILE A 514 -24.809 0.703 10.501 1.00 95.94 C +ATOM 4028 N ASN A 515 -19.113 0.527 12.762 1.00 96.19 N +ATOM 4029 CA ASN A 515 -18.251 -0.399 13.497 1.00 96.19 C +ATOM 4030 C ASN A 515 -19.134 -1.223 14.440 1.00 96.19 C +ATOM 4031 CB ASN A 515 -17.134 0.353 14.240 1.00 96.19 C +ATOM 4032 O ASN A 515 -19.402 -0.796 15.563 1.00 96.19 O +ATOM 4033 CG ASN A 515 -16.144 1.031 13.319 1.00 96.19 C +ATOM 4034 ND2 ASN A 515 -16.022 2.335 13.406 1.00 96.19 N +ATOM 4035 OD1 ASN A 515 -15.449 0.390 12.544 1.00 96.19 O +ATOM 4036 N PHE A 516 -19.598 -2.381 13.965 1.00 96.88 N +ATOM 4037 CA PHE A 516 -20.340 -3.348 14.778 1.00 96.88 C +ATOM 4038 C PHE A 516 -19.431 -3.936 15.865 1.00 96.88 C +ATOM 4039 CB PHE A 516 -20.907 -4.436 13.855 1.00 96.88 C +ATOM 4040 O PHE A 516 -19.832 -4.054 17.020 1.00 96.88 O +ATOM 4041 CG PHE A 516 -21.785 -5.465 14.535 1.00 96.88 C +ATOM 4042 CD1 PHE A 516 -21.214 -6.559 15.213 1.00 96.88 C +ATOM 4043 CD2 PHE A 516 -23.183 -5.344 14.463 1.00 96.88 C +ATOM 4044 CE1 PHE A 516 -22.037 -7.519 15.823 1.00 96.88 C +ATOM 4045 CE2 PHE A 516 -24.009 -6.317 15.051 1.00 96.88 C +ATOM 4046 CZ PHE A 516 -23.436 -7.403 15.738 1.00 96.88 C +ATOM 4047 N ASP A 517 -18.175 -4.207 15.505 1.00 95.19 N +ATOM 4048 CA ASP A 517 -17.082 -4.441 16.445 1.00 95.19 C +ATOM 4049 C ASP A 517 -16.004 -3.379 16.227 1.00 95.19 C +ATOM 4050 CB ASP A 517 -16.487 -5.843 16.254 1.00 95.19 C +ATOM 4051 O ASP A 517 -15.470 -3.262 15.121 1.00 95.19 O +ATOM 4052 CG ASP A 517 -17.525 -6.960 16.331 1.00 95.19 C +ATOM 4053 OD1 ASP A 517 -18.330 -6.942 17.294 1.00 95.19 O +ATOM 4054 OD2 ASP A 517 -17.502 -7.810 15.406 1.00 95.19 O +ATOM 4055 N LEU A 518 -15.662 -2.602 17.256 1.00 93.25 N +ATOM 4056 CA LEU A 518 -14.511 -1.695 17.208 1.00 93.25 C +ATOM 4057 C LEU A 518 -13.187 -2.477 17.056 1.00 93.25 C +ATOM 4058 CB LEU A 518 -14.494 -0.819 18.473 1.00 93.25 C +ATOM 4059 O LEU A 518 -13.053 -3.559 17.633 1.00 93.25 O +ATOM 4060 CG LEU A 518 -15.355 0.450 18.380 1.00 93.25 C +ATOM 4061 CD1 LEU A 518 -15.468 1.088 19.761 1.00 93.25 C +ATOM 4062 CD2 LEU A 518 -14.725 1.482 17.438 1.00 93.25 C +ATOM 4063 N PRO A 519 -12.203 -1.955 16.296 1.00 90.62 N +ATOM 4064 CA PRO A 519 -10.870 -2.549 16.222 1.00 90.62 C +ATOM 4065 C PRO A 519 -10.106 -2.389 17.543 1.00 90.62 C +ATOM 4066 CB PRO A 519 -10.163 -1.825 15.075 1.00 90.62 C +ATOM 4067 O PRO A 519 -10.444 -1.560 18.389 1.00 90.62 O +ATOM 4068 CG PRO A 519 -10.795 -0.439 15.106 1.00 90.62 C +ATOM 4069 CD PRO A 519 -12.227 -0.690 15.576 1.00 90.62 C +ATOM 4070 N SER A 520 -9.037 -3.170 17.699 1.00 87.19 N +ATOM 4071 CA SER A 520 -8.123 -3.082 18.844 1.00 87.19 C +ATOM 4072 C SER A 520 -7.207 -1.856 18.822 1.00 87.19 C +ATOM 4073 CB SER A 520 -7.255 -4.343 18.896 1.00 87.19 C +ATOM 4074 O SER A 520 -6.643 -1.509 19.858 1.00 87.19 O +ATOM 4075 OG SER A 520 -6.717 -4.675 17.625 1.00 87.19 O +ATOM 4076 N ASP A 521 -7.031 -1.244 17.652 1.00 85.44 N +ATOM 4077 CA ASP A 521 -6.076 -0.182 17.360 1.00 85.44 C +ATOM 4078 C ASP A 521 -6.752 1.021 16.679 1.00 85.44 C +ATOM 4079 CB ASP A 521 -4.947 -0.753 16.490 1.00 85.44 C +ATOM 4080 O ASP A 521 -7.697 0.890 15.893 1.00 85.44 O +ATOM 4081 CG ASP A 521 -5.471 -1.232 15.136 1.00 85.44 C +ATOM 4082 OD1 ASP A 521 -6.184 -2.266 15.128 1.00 85.44 O +ATOM 4083 OD2 ASP A 521 -5.188 -0.531 14.140 1.00 85.44 O +ATOM 4084 N ILE A 522 -6.262 2.221 16.998 1.00 85.75 N +ATOM 4085 CA ILE A 522 -6.856 3.479 16.531 1.00 85.75 C +ATOM 4086 C ILE A 522 -6.557 3.768 15.054 1.00 85.75 C +ATOM 4087 CB ILE A 522 -6.446 4.621 17.488 1.00 85.75 C +ATOM 4088 O ILE A 522 -7.367 4.395 14.372 1.00 85.75 O +ATOM 4089 CG1 ILE A 522 -7.359 5.861 17.384 1.00 85.75 C +ATOM 4090 CG2 ILE A 522 -4.976 5.034 17.295 1.00 85.75 C +ATOM 4091 CD1 ILE A 522 -8.792 5.592 17.862 1.00 85.75 C +ATOM 4092 N GLU A 523 -5.442 3.261 14.525 1.00 79.56 N +ATOM 4093 CA GLU A 523 -5.073 3.440 13.118 1.00 79.56 C +ATOM 4094 C GLU A 523 -6.045 2.687 12.200 1.00 79.56 C +ATOM 4095 CB GLU A 523 -3.606 3.028 12.883 1.00 79.56 C +ATOM 4096 O GLU A 523 -6.543 3.247 11.220 1.00 79.56 O +ATOM 4097 CG GLU A 523 -2.645 3.880 13.736 1.00 79.56 C +ATOM 4098 CD GLU A 523 -1.160 3.781 13.339 1.00 79.56 C +ATOM 4099 OE1 GLU A 523 -0.316 4.009 14.236 1.00 79.56 O +ATOM 4100 OE2 GLU A 523 -0.865 3.626 12.131 1.00 79.56 O +ATOM 4101 N GLU A 524 -6.426 1.452 12.538 1.00 81.69 N +ATOM 4102 CA GLU A 524 -7.500 0.759 11.835 1.00 81.69 C +ATOM 4103 C GLU A 524 -8.847 1.478 11.984 1.00 81.69 C +ATOM 4104 CB GLU A 524 -7.582 -0.708 12.273 1.00 81.69 C +ATOM 4105 O GLU A 524 -9.562 1.598 10.988 1.00 81.69 O +ATOM 4106 CG GLU A 524 -8.573 -1.457 11.384 1.00 81.69 C +ATOM 4107 CD GLU A 524 -8.634 -2.949 11.683 1.00 81.69 C +ATOM 4108 OE1 GLU A 524 -9.784 -3.426 11.819 1.00 81.69 O +ATOM 4109 OE2 GLU A 524 -7.606 -3.649 11.549 1.00 81.69 O +ATOM 4110 N TYR A 525 -9.191 2.017 13.161 1.00 87.06 N +ATOM 4111 CA TYR A 525 -10.427 2.797 13.334 1.00 87.06 C +ATOM 4112 C TYR A 525 -10.506 3.961 12.332 1.00 87.06 C +ATOM 4113 CB TYR A 525 -10.559 3.289 14.784 1.00 87.06 C +ATOM 4114 O TYR A 525 -11.486 4.052 11.585 1.00 87.06 O +ATOM 4115 CG TYR A 525 -11.707 4.255 14.991 1.00 87.06 C +ATOM 4116 CD1 TYR A 525 -11.473 5.644 14.953 1.00 87.06 C +ATOM 4117 CD2 TYR A 525 -13.012 3.767 15.189 1.00 87.06 C +ATOM 4118 CE1 TYR A 525 -12.544 6.546 15.096 1.00 87.06 C +ATOM 4119 CE2 TYR A 525 -14.079 4.671 15.346 1.00 87.06 C +ATOM 4120 OH TYR A 525 -14.898 6.926 15.394 1.00 87.06 O +ATOM 4121 CZ TYR A 525 -13.853 6.062 15.288 1.00 87.06 C +ATOM 4122 N VAL A 526 -9.445 4.774 12.230 1.00 82.81 N +ATOM 4123 CA VAL A 526 -9.316 5.864 11.243 1.00 82.81 C +ATOM 4124 C VAL A 526 -9.510 5.337 9.813 1.00 82.81 C +ATOM 4125 CB VAL A 526 -7.944 6.565 11.389 1.00 82.81 C +ATOM 4126 O VAL A 526 -10.291 5.895 9.037 1.00 82.81 O +ATOM 4127 CG1 VAL A 526 -7.687 7.605 10.288 1.00 82.81 C +ATOM 4128 CG2 VAL A 526 -7.830 7.307 12.724 1.00 82.81 C +ATOM 4129 N HIS A 527 -8.868 4.217 9.465 1.00 77.94 N +ATOM 4130 CA HIS A 527 -8.969 3.595 8.139 1.00 77.94 C +ATOM 4131 C HIS A 527 -10.350 3.009 7.798 1.00 77.94 C +ATOM 4132 CB HIS A 527 -7.913 2.488 8.024 1.00 77.94 C +ATOM 4133 O HIS A 527 -10.684 2.898 6.606 1.00 77.94 O +ATOM 4134 CG HIS A 527 -6.499 2.994 7.938 1.00 77.94 C +ATOM 4135 CD2 HIS A 527 -6.046 3.983 7.110 1.00 77.94 C +ATOM 4136 ND1 HIS A 527 -5.412 2.528 8.645 1.00 77.94 N +ATOM 4137 CE1 HIS A 527 -4.330 3.222 8.247 1.00 77.94 C +ATOM 4138 NE2 HIS A 527 -4.675 4.107 7.298 1.00 77.94 N +ATOM 4139 N ARG A 528 -11.135 2.612 8.808 1.00 86.06 N +ATOM 4140 CA ARG A 528 -12.514 2.127 8.661 1.00 86.06 C +ATOM 4141 C ARG A 528 -13.482 3.283 8.435 1.00 86.06 C +ATOM 4142 CB ARG A 528 -12.935 1.320 9.898 1.00 86.06 C +ATOM 4143 O ARG A 528 -14.225 3.262 7.455 1.00 86.06 O +ATOM 4144 CG ARG A 528 -12.230 -0.039 10.048 1.00 86.06 C +ATOM 4145 CD ARG A 528 -12.810 -0.696 11.297 1.00 86.06 C +ATOM 4146 NE ARG A 528 -12.244 -2.015 11.637 1.00 86.06 N +ATOM 4147 NH1 ARG A 528 -13.971 -2.568 13.005 1.00 86.06 N +ATOM 4148 NH2 ARG A 528 -12.216 -3.940 12.842 1.00 86.06 N +ATOM 4149 CZ ARG A 528 -12.814 -2.846 12.486 1.00 86.06 C +ATOM 4150 N ILE A 529 -13.443 4.320 9.275 1.00 87.25 N +ATOM 4151 CA ILE A 529 -14.345 5.474 9.126 1.00 87.25 C +ATOM 4152 C ILE A 529 -14.010 6.303 7.880 1.00 87.25 C +ATOM 4153 CB ILE A 529 -14.442 6.310 10.417 1.00 87.25 C +ATOM 4154 O ILE A 529 -14.918 6.753 7.189 1.00 87.25 O +ATOM 4155 CG1 ILE A 529 -13.122 7.021 10.771 1.00 87.25 C +ATOM 4156 CG2 ILE A 529 -14.929 5.395 11.562 1.00 87.25 C +ATOM 4157 CD1 ILE A 529 -13.255 8.010 11.928 1.00 87.25 C +ATOM 4158 N GLY A 530 -12.734 6.363 7.477 1.00 80.25 N +ATOM 4159 CA GLY A 530 -12.286 6.951 6.208 1.00 80.25 C +ATOM 4160 C GLY A 530 -12.782 6.240 4.936 1.00 80.25 C +ATOM 4161 O GLY A 530 -12.340 6.576 3.834 1.00 80.25 O +ATOM 4162 N ARG A 531 -13.671 5.239 5.037 1.00 81.56 N +ATOM 4163 CA ARG A 531 -14.437 4.695 3.898 1.00 81.56 C +ATOM 4164 C ARG A 531 -15.653 5.565 3.544 1.00 81.56 C +ATOM 4165 CB ARG A 531 -14.846 3.232 4.164 1.00 81.56 C +ATOM 4166 O ARG A 531 -16.059 5.542 2.389 1.00 81.56 O +ATOM 4167 CG ARG A 531 -13.669 2.282 4.464 1.00 81.56 C +ATOM 4168 CD ARG A 531 -12.701 2.044 3.294 1.00 81.56 C +ATOM 4169 NE ARG A 531 -11.312 1.962 3.789 1.00 81.56 N +ATOM 4170 NH1 ARG A 531 -10.187 1.889 1.771 1.00 81.56 N +ATOM 4171 NH2 ARG A 531 -9.048 2.033 3.673 1.00 81.56 N +ATOM 4172 CZ ARG A 531 -10.202 1.942 3.075 1.00 81.56 C +ATOM 4173 N THR A 532 -16.175 6.360 4.484 1.00 84.12 N +ATOM 4174 CA THR A 532 -17.158 7.434 4.231 1.00 84.12 C +ATOM 4175 C THR A 532 -16.472 8.814 4.229 1.00 84.12 C +ATOM 4176 CB THR A 532 -18.346 7.323 5.208 1.00 84.12 C +ATOM 4177 O THR A 532 -15.254 8.901 4.386 1.00 84.12 O +ATOM 4178 CG2 THR A 532 -18.012 7.599 6.672 1.00 84.12 C +ATOM 4179 OG1 THR A 532 -19.362 8.214 4.838 1.00 84.12 O +ATOM 4180 N GLY A 533 -17.218 9.900 3.995 1.00 77.69 N +ATOM 4181 CA GLY A 533 -16.703 11.280 4.060 1.00 77.69 C +ATOM 4182 C GLY A 533 -15.773 11.701 2.909 1.00 77.69 C +ATOM 4183 O GLY A 533 -15.012 12.661 3.035 1.00 77.69 O +ATOM 4184 N ARG A 534 -15.765 10.951 1.797 1.00 73.25 N +ATOM 4185 CA ARG A 534 -14.826 11.139 0.674 1.00 73.25 C +ATOM 4186 C ARG A 534 -15.296 12.207 -0.315 1.00 73.25 C +ATOM 4187 CB ARG A 534 -14.559 9.801 -0.038 1.00 73.25 C +ATOM 4188 O ARG A 534 -16.493 12.382 -0.532 1.00 73.25 O +ATOM 4189 CG ARG A 534 -13.855 8.797 0.880 1.00 73.25 C +ATOM 4190 CD ARG A 534 -13.500 7.502 0.142 1.00 73.25 C +ATOM 4191 NE ARG A 534 -12.719 6.646 1.040 1.00 73.25 N +ATOM 4192 NH1 ARG A 534 -11.891 5.083 -0.450 1.00 73.25 N +ATOM 4193 NH2 ARG A 534 -11.317 5.029 1.697 1.00 73.25 N +ATOM 4194 CZ ARG A 534 -11.994 5.592 0.741 1.00 73.25 C +ATOM 4195 N VAL A 535 -14.336 12.862 -0.976 1.00 65.62 N +ATOM 4196 CA VAL A 535 -14.567 13.848 -2.055 1.00 65.62 C +ATOM 4197 C VAL A 535 -15.480 15.009 -1.603 1.00 65.62 C +ATOM 4198 CB VAL A 535 -15.014 13.151 -3.371 1.00 65.62 C +ATOM 4199 O VAL A 535 -16.289 15.530 -2.359 1.00 65.62 O +ATOM 4200 CG1 VAL A 535 -14.769 14.025 -4.606 1.00 65.62 C +ATOM 4201 CG2 VAL A 535 -14.245 11.844 -3.644 1.00 65.62 C +ATOM 4202 N GLY A 536 -15.403 15.403 -0.329 1.00 66.50 N +ATOM 4203 CA GLY A 536 -16.222 16.480 0.241 1.00 66.50 C +ATOM 4204 C GLY A 536 -17.697 16.123 0.474 1.00 66.50 C +ATOM 4205 O GLY A 536 -18.472 16.985 0.887 1.00 66.50 O +ATOM 4206 N ASN A 537 -18.116 14.877 0.243 1.00 74.88 N +ATOM 4207 CA ASN A 537 -19.413 14.405 0.722 1.00 74.88 C +ATOM 4208 C ASN A 537 -19.359 14.230 2.247 1.00 74.88 C +ATOM 4209 CB ASN A 537 -19.792 13.102 0.001 1.00 74.88 C +ATOM 4210 O ASN A 537 -18.341 13.793 2.780 1.00 74.88 O +ATOM 4211 CG ASN A 537 -20.041 13.300 -1.486 1.00 74.88 C +ATOM 4212 ND2 ASN A 537 -19.837 12.276 -2.281 1.00 74.88 N +ATOM 4213 OD1 ASN A 537 -20.448 14.354 -1.952 1.00 74.88 O +ATOM 4214 N LEU A 538 -20.453 14.542 2.946 1.00 84.75 N +ATOM 4215 CA LEU A 538 -20.567 14.258 4.378 1.00 84.75 C +ATOM 4216 C LEU A 538 -20.754 12.755 4.608 1.00 84.75 C +ATOM 4217 CB LEU A 538 -21.714 15.065 5.011 1.00 84.75 C +ATOM 4218 O LEU A 538 -21.485 12.092 3.869 1.00 84.75 O +ATOM 4219 CG LEU A 538 -21.482 16.586 5.043 1.00 84.75 C +ATOM 4220 CD1 LEU A 538 -22.733 17.277 5.586 1.00 84.75 C +ATOM 4221 CD2 LEU A 538 -20.295 16.983 5.925 1.00 84.75 C +ATOM 4222 N GLY A 539 -20.100 12.238 5.643 1.00 87.69 N +ATOM 4223 CA GLY A 539 -20.175 10.845 6.061 1.00 87.69 C +ATOM 4224 C GLY A 539 -20.656 10.691 7.497 1.00 87.69 C +ATOM 4225 O GLY A 539 -20.375 11.533 8.343 1.00 87.69 O +ATOM 4226 N LEU A 540 -21.340 9.586 7.786 1.00 92.62 N +ATOM 4227 CA LEU A 540 -21.680 9.166 9.142 1.00 92.62 C +ATOM 4228 C LEU A 540 -20.855 7.932 9.515 1.00 92.62 C +ATOM 4229 CB LEU A 540 -23.197 8.913 9.220 1.00 92.62 C +ATOM 4230 O LEU A 540 -20.830 6.951 8.774 1.00 92.62 O +ATOM 4231 CG LEU A 540 -23.715 8.506 10.614 1.00 92.62 C +ATOM 4232 CD1 LEU A 540 -23.522 9.604 11.663 1.00 92.62 C +ATOM 4233 CD2 LEU A 540 -25.209 8.198 10.534 1.00 92.62 C +ATOM 4234 N ALA A 541 -20.219 7.957 10.679 1.00 93.94 N +ATOM 4235 CA ALA A 541 -19.602 6.801 11.308 1.00 93.94 C +ATOM 4236 C ALA A 541 -20.302 6.528 12.643 1.00 93.94 C +ATOM 4237 CB ALA A 541 -18.102 7.056 11.463 1.00 93.94 C +ATOM 4238 O ALA A 541 -20.373 7.410 13.496 1.00 93.94 O +ATOM 4239 N THR A 542 -20.819 5.319 12.848 1.00 96.62 N +ATOM 4240 CA THR A 542 -21.404 4.896 14.130 1.00 96.62 C +ATOM 4241 C THR A 542 -20.640 3.701 14.666 1.00 96.62 C +ATOM 4242 CB THR A 542 -22.902 4.599 14.024 1.00 96.62 C +ATOM 4243 O THR A 542 -20.377 2.762 13.923 1.00 96.62 O +ATOM 4244 CG2 THR A 542 -23.547 4.351 15.388 1.00 96.62 C +ATOM 4245 OG1 THR A 542 -23.545 5.725 13.468 1.00 96.62 O +ATOM 4246 N SER A 543 -20.260 3.731 15.938 1.00 97.00 N +ATOM 4247 CA SER A 543 -19.414 2.698 16.531 1.00 97.00 C +ATOM 4248 C SER A 543 -20.014 2.159 17.815 1.00 97.00 C +ATOM 4249 CB SER A 543 -18.006 3.233 16.787 1.00 97.00 C +ATOM 4250 O SER A 543 -20.322 2.931 18.724 1.00 97.00 O +ATOM 4251 OG SER A 543 -17.459 3.758 15.589 1.00 97.00 O +ATOM 4252 N PHE A 544 -20.156 0.838 17.875 1.00 97.56 N +ATOM 4253 CA PHE A 544 -20.623 0.120 19.052 1.00 97.56 C +ATOM 4254 C PHE A 544 -19.441 -0.109 19.991 1.00 97.56 C +ATOM 4255 CB PHE A 544 -21.280 -1.200 18.623 1.00 97.56 C +ATOM 4256 O PHE A 544 -18.433 -0.703 19.606 1.00 97.56 O +ATOM 4257 CG PHE A 544 -22.487 -1.110 17.697 1.00 97.56 C +ATOM 4258 CD1 PHE A 544 -23.147 0.110 17.438 1.00 97.56 C +ATOM 4259 CD2 PHE A 544 -22.966 -2.286 17.091 1.00 97.56 C +ATOM 4260 CE1 PHE A 544 -24.251 0.151 16.574 1.00 97.56 C +ATOM 4261 CE2 PHE A 544 -24.084 -2.247 16.240 1.00 97.56 C +ATOM 4262 CZ PHE A 544 -24.726 -1.027 15.977 1.00 97.56 C +ATOM 4263 N PHE A 545 -19.571 0.394 21.213 1.00 96.75 N +ATOM 4264 CA PHE A 545 -18.560 0.328 22.258 1.00 96.75 C +ATOM 4265 C PHE A 545 -19.095 -0.484 23.440 1.00 96.75 C +ATOM 4266 CB PHE A 545 -18.195 1.766 22.657 1.00 96.75 C +ATOM 4267 O PHE A 545 -20.249 -0.314 23.830 1.00 96.75 O +ATOM 4268 CG PHE A 545 -16.966 1.884 23.538 1.00 96.75 C +ATOM 4269 CD1 PHE A 545 -17.029 1.512 24.893 1.00 96.75 C +ATOM 4270 CD2 PHE A 545 -15.748 2.346 23.002 1.00 96.75 C +ATOM 4271 CE1 PHE A 545 -15.873 1.552 25.689 1.00 96.75 C +ATOM 4272 CE2 PHE A 545 -14.593 2.394 23.802 1.00 96.75 C +ATOM 4273 CZ PHE A 545 -14.655 1.989 25.145 1.00 96.75 C +ATOM 4274 N ASN A 546 -18.261 -1.340 24.028 1.00 93.38 N +ATOM 4275 CA ASN A 546 -18.554 -2.022 25.289 1.00 93.38 C +ATOM 4276 C ASN A 546 -17.269 -2.324 26.079 1.00 93.38 C +ATOM 4277 CB ASN A 546 -19.400 -3.276 24.989 1.00 93.38 C +ATOM 4278 O ASN A 546 -16.175 -1.883 25.716 1.00 93.38 O +ATOM 4279 CG ASN A 546 -18.733 -4.329 24.118 1.00 93.38 C +ATOM 4280 ND2 ASN A 546 -19.494 -4.895 23.209 1.00 93.38 N +ATOM 4281 OD1 ASN A 546 -17.574 -4.689 24.282 1.00 93.38 O +ATOM 4282 N GLU A 547 -17.386 -3.104 27.157 1.00 91.19 N +ATOM 4283 CA GLU A 547 -16.277 -3.484 28.044 1.00 91.19 C +ATOM 4284 C GLU A 547 -15.060 -4.103 27.327 1.00 91.19 C +ATOM 4285 CB GLU A 547 -16.774 -4.502 29.080 1.00 91.19 C +ATOM 4286 O GLU A 547 -13.936 -4.015 27.824 1.00 91.19 O +ATOM 4287 CG GLU A 547 -17.951 -4.025 29.945 1.00 91.19 C +ATOM 4288 CD GLU A 547 -18.242 -4.997 31.105 1.00 91.19 C +ATOM 4289 OE1 GLU A 547 -18.856 -4.548 32.096 1.00 91.19 O +ATOM 4290 OE2 GLU A 547 -17.783 -6.165 31.035 1.00 91.19 O +ATOM 4291 N ARG A 548 -15.229 -4.705 26.141 1.00 90.56 N +ATOM 4292 CA ARG A 548 -14.099 -5.264 25.375 1.00 90.56 C +ATOM 4293 C ARG A 548 -13.214 -4.191 24.743 1.00 90.56 C +ATOM 4294 CB ARG A 548 -14.603 -6.225 24.295 1.00 90.56 C +ATOM 4295 O ARG A 548 -12.063 -4.476 24.429 1.00 90.56 O +ATOM 4296 CG ARG A 548 -15.383 -7.404 24.886 1.00 90.56 C +ATOM 4297 CD ARG A 548 -15.691 -8.391 23.763 1.00 90.56 C +ATOM 4298 NE ARG A 548 -16.514 -9.517 24.237 1.00 90.56 N +ATOM 4299 NH1 ARG A 548 -17.105 -10.243 22.147 1.00 90.56 N +ATOM 4300 NH2 ARG A 548 -18.208 -11.006 23.902 1.00 90.56 N +ATOM 4301 CZ ARG A 548 -17.250 -10.261 23.437 1.00 90.56 C +ATOM 4302 N ASN A 549 -13.728 -2.973 24.577 1.00 90.44 N +ATOM 4303 CA ASN A 549 -13.059 -1.865 23.893 1.00 90.44 C +ATOM 4304 C ASN A 549 -12.367 -0.888 24.862 1.00 90.44 C +ATOM 4305 CB ASN A 549 -14.066 -1.188 22.946 1.00 90.44 C +ATOM 4306 O ASN A 549 -11.915 0.183 24.459 1.00 90.44 O +ATOM 4307 CG ASN A 549 -14.791 -2.180 22.054 1.00 90.44 C +ATOM 4308 ND2 ASN A 549 -14.076 -2.940 21.253 1.00 90.44 N +ATOM 4309 OD1 ASN A 549 -16.005 -2.291 22.077 1.00 90.44 O +ATOM 4310 N ILE A 550 -12.231 -1.250 26.145 1.00 89.56 N +ATOM 4311 CA ILE A 550 -11.587 -0.397 27.160 1.00 89.56 C +ATOM 4312 C ILE A 550 -10.138 -0.033 26.773 1.00 89.56 C +ATOM 4313 CB ILE A 550 -11.674 -1.059 28.556 1.00 89.56 C +ATOM 4314 O ILE A 550 -9.662 1.057 27.095 1.00 89.56 O +ATOM 4315 CG1 ILE A 550 -13.148 -1.117 29.016 1.00 89.56 C +ATOM 4316 CG2 ILE A 550 -10.849 -0.288 29.608 1.00 89.56 C +ATOM 4317 CD1 ILE A 550 -13.391 -1.993 30.253 1.00 89.56 C +ATOM 4318 N ASN A 551 -9.447 -0.903 26.032 1.00 89.25 N +ATOM 4319 CA ASN A 551 -8.083 -0.683 25.547 1.00 89.25 C +ATOM 4320 C ASN A 551 -7.930 0.546 24.628 1.00 89.25 C +ATOM 4321 CB ASN A 551 -7.585 -1.961 24.843 1.00 89.25 C +ATOM 4322 O ASN A 551 -6.906 1.215 24.717 1.00 89.25 O +ATOM 4323 CG ASN A 551 -8.369 -2.317 23.584 1.00 89.25 C +ATOM 4324 ND2 ASN A 551 -7.722 -2.826 22.567 1.00 89.25 N +ATOM 4325 OD1 ASN A 551 -9.571 -2.139 23.495 1.00 89.25 O +ATOM 4326 N ILE A 552 -8.927 0.850 23.788 1.00 91.38 N +ATOM 4327 CA ILE A 552 -8.887 1.955 22.812 1.00 91.38 C +ATOM 4328 C ILE A 552 -9.528 3.253 23.348 1.00 91.38 C +ATOM 4329 CB ILE A 552 -9.443 1.462 21.448 1.00 91.38 C +ATOM 4330 O ILE A 552 -9.429 4.295 22.707 1.00 91.38 O +ATOM 4331 CG1 ILE A 552 -9.145 2.440 20.292 1.00 91.38 C +ATOM 4332 CG2 ILE A 552 -10.942 1.118 21.523 1.00 91.38 C +ATOM 4333 CD1 ILE A 552 -9.399 1.839 18.903 1.00 91.38 C +ATOM 4334 N THR A 553 -10.141 3.228 24.544 1.00 91.31 N +ATOM 4335 CA THR A 553 -10.896 4.357 25.142 1.00 91.31 C +ATOM 4336 C THR A 553 -10.177 5.700 25.045 1.00 91.31 C +ATOM 4337 CB THR A 553 -11.166 4.141 26.644 1.00 91.31 C +ATOM 4338 O THR A 553 -10.778 6.691 24.639 1.00 91.31 O +ATOM 4339 CG2 THR A 553 -12.230 5.075 27.214 1.00 91.31 C +ATOM 4340 OG1 THR A 553 -11.638 2.851 26.900 1.00 91.31 O +ATOM 4341 N LYS A 554 -8.893 5.742 25.427 1.00 89.12 N +ATOM 4342 CA LYS A 554 -8.130 6.991 25.464 1.00 89.12 C +ATOM 4343 C LYS A 554 -7.825 7.501 24.055 1.00 89.12 C +ATOM 4344 CB LYS A 554 -6.853 6.818 26.296 1.00 89.12 C +ATOM 4345 O LYS A 554 -8.079 8.665 23.776 1.00 89.12 O +ATOM 4346 CG LYS A 554 -6.183 8.189 26.448 1.00 89.12 C +ATOM 4347 CD LYS A 554 -4.745 8.097 26.938 1.00 89.12 C +ATOM 4348 CE LYS A 554 -4.122 9.453 26.618 1.00 89.12 C +ATOM 4349 NZ LYS A 554 -2.670 9.340 26.421 1.00 89.12 N +ATOM 4350 N ASP A 555 -7.313 6.640 23.182 1.00 88.56 N +ATOM 4351 CA ASP A 555 -6.922 7.042 21.828 1.00 88.56 C +ATOM 4352 C ASP A 555 -8.154 7.465 21.003 1.00 88.56 C +ATOM 4353 CB ASP A 555 -6.143 5.898 21.158 1.00 88.56 C +ATOM 4354 O ASP A 555 -8.085 8.403 20.212 1.00 88.56 O +ATOM 4355 CG ASP A 555 -4.914 5.418 21.952 1.00 88.56 C +ATOM 4356 OD1 ASP A 555 -4.298 6.229 22.686 1.00 88.56 O +ATOM 4357 OD2 ASP A 555 -4.609 4.211 21.847 1.00 88.56 O +ATOM 4358 N LEU A 556 -9.311 6.836 21.254 1.00 90.75 N +ATOM 4359 CA LEU A 556 -10.605 7.238 20.700 1.00 90.75 C +ATOM 4360 C LEU A 556 -11.094 8.581 21.264 1.00 90.75 C +ATOM 4361 CB LEU A 556 -11.613 6.100 20.945 1.00 90.75 C +ATOM 4362 O LEU A 556 -11.585 9.408 20.501 1.00 90.75 O +ATOM 4363 CG LEU A 556 -13.014 6.323 20.344 1.00 90.75 C +ATOM 4364 CD1 LEU A 556 -12.986 6.484 18.822 1.00 90.75 C +ATOM 4365 CD2 LEU A 556 -13.893 5.116 20.683 1.00 90.75 C +ATOM 4366 N LEU A 557 -10.947 8.825 22.571 1.00 91.44 N +ATOM 4367 CA LEU A 557 -11.286 10.109 23.194 1.00 91.44 C +ATOM 4368 C LEU A 557 -10.426 11.252 22.634 1.00 91.44 C +ATOM 4369 CB LEU A 557 -11.142 9.977 24.723 1.00 91.44 C +ATOM 4370 O LEU A 557 -10.976 12.262 22.193 1.00 91.44 O +ATOM 4371 CG LEU A 557 -11.365 11.285 25.505 1.00 91.44 C +ATOM 4372 CD1 LEU A 557 -12.796 11.798 25.361 1.00 91.44 C +ATOM 4373 CD2 LEU A 557 -11.100 11.041 26.989 1.00 91.44 C +ATOM 4374 N ASP A 558 -9.101 11.074 22.607 1.00 87.44 N +ATOM 4375 CA ASP A 558 -8.150 12.056 22.072 1.00 87.44 C +ATOM 4376 C ASP A 558 -8.486 12.383 20.597 1.00 87.44 C +ATOM 4377 CB ASP A 558 -6.696 11.537 22.239 1.00 87.44 C +ATOM 4378 O ASP A 558 -8.517 13.555 20.212 1.00 87.44 O +ATOM 4379 CG ASP A 558 -6.105 11.594 23.670 1.00 87.44 C +ATOM 4380 OD1 ASP A 558 -6.637 12.333 24.527 1.00 87.44 O +ATOM 4381 OD2 ASP A 558 -5.046 10.957 23.918 1.00 87.44 O +ATOM 4382 N LEU A 559 -8.839 11.368 19.793 1.00 86.50 N +ATOM 4383 CA LEU A 559 -9.275 11.518 18.399 1.00 86.50 C +ATOM 4384 C LEU A 559 -10.613 12.265 18.256 1.00 86.50 C +ATOM 4385 CB LEU A 559 -9.299 10.118 17.755 1.00 86.50 C +ATOM 4386 O LEU A 559 -10.725 13.138 17.395 1.00 86.50 O +ATOM 4387 CG LEU A 559 -9.759 10.053 16.283 1.00 86.50 C +ATOM 4388 CD1 LEU A 559 -9.268 8.745 15.664 1.00 86.50 C +ATOM 4389 CD2 LEU A 559 -11.286 10.048 16.121 1.00 86.50 C +ATOM 4390 N LEU A 560 -11.636 11.945 19.057 1.00 89.38 N +ATOM 4391 CA LEU A 560 -12.949 12.604 18.968 1.00 89.38 C +ATOM 4392 C LEU A 560 -12.866 14.088 19.344 1.00 89.38 C +ATOM 4393 CB LEU A 560 -13.966 11.897 19.880 1.00 89.38 C +ATOM 4394 O LEU A 560 -13.458 14.925 18.658 1.00 89.38 O +ATOM 4395 CG LEU A 560 -14.451 10.522 19.392 1.00 89.38 C +ATOM 4396 CD1 LEU A 560 -15.269 9.884 20.514 1.00 89.38 C +ATOM 4397 CD2 LEU A 560 -15.331 10.597 18.142 1.00 89.38 C +ATOM 4398 N VAL A 561 -12.098 14.415 20.390 1.00 88.12 N +ATOM 4399 CA VAL A 561 -11.824 15.801 20.804 1.00 88.12 C +ATOM 4400 C VAL A 561 -11.078 16.551 19.698 1.00 88.12 C +ATOM 4401 CB VAL A 561 -11.024 15.820 22.124 1.00 88.12 C +ATOM 4402 O VAL A 561 -11.453 17.669 19.347 1.00 88.12 O +ATOM 4403 CG1 VAL A 561 -10.551 17.229 22.513 1.00 88.12 C +ATOM 4404 CG2 VAL A 561 -11.878 15.303 23.289 1.00 88.12 C +ATOM 4405 N GLU A 562 -10.058 15.929 19.103 1.00 81.56 N +ATOM 4406 CA GLU A 562 -9.308 16.493 17.979 1.00 81.56 C +ATOM 4407 C GLU A 562 -10.192 16.767 16.754 1.00 81.56 C +ATOM 4408 CB GLU A 562 -8.154 15.536 17.649 1.00 81.56 C +ATOM 4409 O GLU A 562 -10.107 17.841 16.157 1.00 81.56 O +ATOM 4410 CG GLU A 562 -7.408 15.929 16.371 1.00 81.56 C +ATOM 4411 CD GLU A 562 -6.128 15.121 16.165 1.00 81.56 C +ATOM 4412 OE1 GLU A 562 -5.685 15.050 14.996 1.00 81.56 O +ATOM 4413 OE2 GLU A 562 -5.466 14.767 17.168 1.00 81.56 O +ATOM 4414 N ALA A 563 -11.074 15.827 16.412 1.00 81.31 N +ATOM 4415 CA ALA A 563 -12.001 15.928 15.291 1.00 81.31 C +ATOM 4416 C ALA A 563 -13.255 16.779 15.592 1.00 81.31 C +ATOM 4417 CB ALA A 563 -12.329 14.502 14.832 1.00 81.31 C +ATOM 4418 O ALA A 563 -14.162 16.827 14.757 1.00 81.31 O +ATOM 4419 N LYS A 564 -13.324 17.442 16.761 1.00 86.38 N +ATOM 4420 CA LYS A 564 -14.447 18.289 17.223 1.00 86.38 C +ATOM 4421 C LYS A 564 -15.805 17.563 17.205 1.00 86.38 C +ATOM 4422 CB LYS A 564 -14.493 19.618 16.441 1.00 86.38 C +ATOM 4423 O LYS A 564 -16.825 18.150 16.849 1.00 86.38 O +ATOM 4424 CG LYS A 564 -13.176 20.412 16.411 1.00 86.38 C +ATOM 4425 CD LYS A 564 -13.290 21.537 15.371 1.00 86.38 C +ATOM 4426 CE LYS A 564 -11.919 22.146 15.053 1.00 86.38 C +ATOM 4427 NZ LYS A 564 -11.753 22.376 13.588 1.00 86.38 N +ATOM 4428 N GLN A 565 -15.807 16.277 17.545 1.00 90.19 N +ATOM 4429 CA GLN A 565 -17.001 15.428 17.551 1.00 90.19 C +ATOM 4430 C GLN A 565 -17.710 15.457 18.912 1.00 90.19 C +ATOM 4431 CB GLN A 565 -16.612 13.996 17.145 1.00 90.19 C +ATOM 4432 O GLN A 565 -17.140 15.876 19.920 1.00 90.19 O +ATOM 4433 CG GLN A 565 -15.956 13.933 15.758 1.00 90.19 C +ATOM 4434 CD GLN A 565 -16.867 14.430 14.641 1.00 90.19 C +ATOM 4435 NE2 GLN A 565 -16.439 15.385 13.849 1.00 90.19 N +ATOM 4436 OE1 GLN A 565 -17.980 13.961 14.460 1.00 90.19 O +ATOM 4437 N GLU A 566 -18.956 14.984 18.955 1.00 90.56 N +ATOM 4438 CA GLU A 566 -19.687 14.800 20.212 1.00 90.56 C +ATOM 4439 C GLU A 566 -19.044 13.670 21.032 1.00 90.56 C +ATOM 4440 CB GLU A 566 -21.175 14.513 19.940 1.00 90.56 C +ATOM 4441 O GLU A 566 -19.089 12.498 20.653 1.00 90.56 O +ATOM 4442 CG GLU A 566 -21.916 15.742 19.386 1.00 90.56 C +ATOM 4443 CD GLU A 566 -23.399 15.481 19.054 1.00 90.56 C +ATOM 4444 OE1 GLU A 566 -24.090 16.474 18.737 1.00 90.56 O +ATOM 4445 OE2 GLU A 566 -23.836 14.304 19.053 1.00 90.56 O +ATOM 4446 N VAL A 567 -18.434 14.024 22.165 1.00 91.62 N +ATOM 4447 CA VAL A 567 -17.828 13.068 23.100 1.00 91.62 C +ATOM 4448 C VAL A 567 -18.892 12.577 24.089 1.00 91.62 C +ATOM 4449 CB VAL A 567 -16.638 13.697 23.846 1.00 91.62 C +ATOM 4450 O VAL A 567 -19.462 13.395 24.815 1.00 91.62 O +ATOM 4451 CG1 VAL A 567 -16.041 12.734 24.880 1.00 91.62 C +ATOM 4452 CG2 VAL A 567 -15.517 14.077 22.870 1.00 91.62 C +ATOM 4453 N PRO A 568 -19.159 11.261 24.186 1.00 92.75 N +ATOM 4454 CA PRO A 568 -20.048 10.737 25.215 1.00 92.75 C +ATOM 4455 C PRO A 568 -19.432 10.906 26.610 1.00 92.75 C +ATOM 4456 CB PRO A 568 -20.278 9.265 24.860 1.00 92.75 C +ATOM 4457 O PRO A 568 -18.296 10.497 26.846 1.00 92.75 O +ATOM 4458 CG PRO A 568 -19.845 9.143 23.400 1.00 92.75 C +ATOM 4459 CD PRO A 568 -18.753 10.198 23.279 1.00 92.75 C +ATOM 4460 N SER A 569 -20.191 11.439 27.569 1.00 91.12 N +ATOM 4461 CA SER A 569 -19.705 11.707 28.937 1.00 91.12 C +ATOM 4462 C SER A 569 -19.207 10.457 29.677 1.00 91.12 C +ATOM 4463 CB SER A 569 -20.822 12.371 29.746 1.00 91.12 C +ATOM 4464 O SER A 569 -18.283 10.526 30.487 1.00 91.12 O +ATOM 4465 OG SER A 569 -21.999 11.576 29.717 1.00 91.12 O +ATOM 4466 N TRP A 570 -19.775 9.285 29.378 1.00 92.81 N +ATOM 4467 CA TRP A 570 -19.298 8.008 29.912 1.00 92.81 C +ATOM 4468 C TRP A 570 -17.909 7.621 29.374 1.00 92.81 C +ATOM 4469 CB TRP A 570 -20.355 6.922 29.658 1.00 92.81 C +ATOM 4470 O TRP A 570 -17.134 7.016 30.112 1.00 92.81 O +ATOM 4471 CG TRP A 570 -20.743 6.702 28.226 1.00 92.81 C +ATOM 4472 CD1 TRP A 570 -21.866 7.160 27.628 1.00 92.81 C +ATOM 4473 CD2 TRP A 570 -20.020 5.956 27.199 1.00 92.81 C +ATOM 4474 CE2 TRP A 570 -20.747 6.051 25.975 1.00 92.81 C +ATOM 4475 CE3 TRP A 570 -18.816 5.222 27.178 1.00 92.81 C +ATOM 4476 NE1 TRP A 570 -21.882 6.761 26.305 1.00 92.81 N +ATOM 4477 CH2 TRP A 570 -19.058 4.793 24.790 1.00 92.81 C +ATOM 4478 CZ2 TRP A 570 -20.277 5.493 24.777 1.00 92.81 C +ATOM 4479 CZ3 TRP A 570 -18.336 4.652 25.986 1.00 92.81 C +ATOM 4480 N LEU A 571 -17.552 8.016 28.146 1.00 91.19 N +ATOM 4481 CA LEU A 571 -16.250 7.719 27.536 1.00 91.19 C +ATOM 4482 C LEU A 571 -15.127 8.507 28.230 1.00 91.19 C +ATOM 4483 CB LEU A 571 -16.325 8.029 26.025 1.00 91.19 C +ATOM 4484 O LEU A 571 -14.079 7.945 28.549 1.00 91.19 O +ATOM 4485 CG LEU A 571 -15.110 7.537 25.216 1.00 91.19 C +ATOM 4486 CD1 LEU A 571 -15.140 6.022 25.008 1.00 91.19 C +ATOM 4487 CD2 LEU A 571 -15.099 8.188 23.832 1.00 91.19 C +ATOM 4488 N GLU A 572 -15.376 9.785 28.533 1.00 89.12 N +ATOM 4489 CA GLU A 572 -14.465 10.636 29.311 1.00 89.12 C +ATOM 4490 C GLU A 572 -14.250 10.075 30.729 1.00 89.12 C +ATOM 4491 CB GLU A 572 -15.021 12.071 29.336 1.00 89.12 C +ATOM 4492 O GLU A 572 -13.109 9.888 31.166 1.00 89.12 O +ATOM 4493 CG GLU A 572 -14.042 13.061 29.989 1.00 89.12 C +ATOM 4494 CD GLU A 572 -14.543 14.516 30.006 1.00 89.12 C +ATOM 4495 OE1 GLU A 572 -13.732 15.385 30.403 1.00 89.12 O +ATOM 4496 OE2 GLU A 572 -15.718 14.756 29.647 1.00 89.12 O +ATOM 4497 N ASN A 573 -15.338 9.699 31.412 1.00 89.25 N +ATOM 4498 CA ASN A 573 -15.275 9.066 32.732 1.00 89.25 C +ATOM 4499 C ASN A 573 -14.466 7.755 32.712 1.00 89.25 C +ATOM 4500 CB ASN A 573 -16.706 8.825 33.244 1.00 89.25 C +ATOM 4501 O ASN A 573 -13.638 7.531 33.596 1.00 89.25 O +ATOM 4502 CG ASN A 573 -17.405 10.092 33.711 1.00 89.25 C +ATOM 4503 ND2 ASN A 573 -18.716 10.113 33.697 1.00 89.25 N +ATOM 4504 OD1 ASN A 573 -16.801 11.052 34.154 1.00 89.25 O +ATOM 4505 N MET A 574 -14.653 6.902 31.699 1.00 87.38 N +ATOM 4506 CA MET A 574 -13.903 5.648 31.559 1.00 87.38 C +ATOM 4507 C MET A 574 -12.411 5.868 31.288 1.00 87.38 C +ATOM 4508 CB MET A 574 -14.507 4.800 30.439 1.00 87.38 C +ATOM 4509 O MET A 574 -11.576 5.174 31.876 1.00 87.38 O +ATOM 4510 CG MET A 574 -15.806 4.134 30.893 1.00 87.38 C +ATOM 4511 SD MET A 574 -16.573 3.116 29.616 1.00 87.38 S +ATOM 4512 CE MET A 574 -15.315 1.827 29.435 1.00 87.38 C +ATOM 4513 N ALA A 575 -12.056 6.844 30.447 1.00 83.94 N +ATOM 4514 CA ALA A 575 -10.660 7.206 30.206 1.00 83.94 C +ATOM 4515 C ALA A 575 -9.972 7.680 31.501 1.00 83.94 C +ATOM 4516 CB ALA A 575 -10.613 8.282 29.117 1.00 83.94 C +ATOM 4517 O ALA A 575 -8.831 7.293 31.781 1.00 83.94 O +ATOM 4518 N TYR A 576 -10.686 8.456 32.324 1.00 82.31 N +ATOM 4519 CA TYR A 576 -10.215 8.900 33.634 1.00 82.31 C +ATOM 4520 C TYR A 576 -10.054 7.725 34.618 1.00 82.31 C +ATOM 4521 CB TYR A 576 -11.171 9.978 34.165 1.00 82.31 C +ATOM 4522 O TYR A 576 -8.980 7.535 35.198 1.00 82.31 O +ATOM 4523 CG TYR A 576 -10.638 10.707 35.380 1.00 82.31 C +ATOM 4524 CD1 TYR A 576 -10.902 10.218 36.673 1.00 82.31 C +ATOM 4525 CD2 TYR A 576 -9.862 11.869 35.209 1.00 82.31 C +ATOM 4526 CE1 TYR A 576 -10.380 10.883 37.799 1.00 82.31 C +ATOM 4527 CE2 TYR A 576 -9.333 12.535 36.330 1.00 82.31 C +ATOM 4528 OH TYR A 576 -9.084 12.686 38.711 1.00 82.31 O +ATOM 4529 CZ TYR A 576 -9.589 12.042 37.625 1.00 82.31 C +ATOM 4530 N GLU A 577 -11.084 6.889 34.775 1.00 80.06 N +ATOM 4531 CA GLU A 577 -11.077 5.711 35.654 1.00 80.06 C +ATOM 4532 C GLU A 577 -9.893 4.774 35.362 1.00 80.06 C +ATOM 4533 CB GLU A 577 -12.389 4.927 35.467 1.00 80.06 C +ATOM 4534 O GLU A 577 -9.147 4.405 36.279 1.00 80.06 O +ATOM 4535 CG GLU A 577 -13.631 5.543 36.142 1.00 80.06 C +ATOM 4536 CD GLU A 577 -14.013 4.802 37.428 1.00 80.06 C +ATOM 4537 OE1 GLU A 577 -14.043 5.419 38.517 1.00 80.06 O +ATOM 4538 OE2 GLU A 577 -14.097 3.552 37.433 1.00 80.06 O +ATOM 4539 N HIS A 578 -9.697 4.417 34.088 1.00 68.69 N +ATOM 4540 CA HIS A 578 -8.714 3.418 33.669 1.00 68.69 C +ATOM 4541 C HIS A 578 -7.264 3.892 33.872 1.00 68.69 C +ATOM 4542 CB HIS A 578 -9.007 3.027 32.211 1.00 68.69 C +ATOM 4543 O HIS A 578 -6.405 3.107 34.283 1.00 68.69 O +ATOM 4544 CG HIS A 578 -8.279 1.783 31.767 1.00 68.69 C +ATOM 4545 CD2 HIS A 578 -8.538 0.501 32.173 1.00 68.69 C +ATOM 4546 ND1 HIS A 578 -7.254 1.718 30.852 1.00 68.69 N +ATOM 4547 CE1 HIS A 578 -6.905 0.427 30.714 1.00 68.69 C +ATOM 4548 NE2 HIS A 578 -7.647 -0.354 31.514 1.00 68.69 N +ATOM 4549 N HIS A 579 -6.980 5.184 33.668 1.00 62.25 N +ATOM 4550 CA HIS A 579 -5.632 5.726 33.859 1.00 62.25 C +ATOM 4551 C HIS A 579 -5.303 6.094 35.312 1.00 62.25 C +ATOM 4552 CB HIS A 579 -5.386 6.886 32.886 1.00 62.25 C +ATOM 4553 O HIS A 579 -4.183 5.828 35.761 1.00 62.25 O +ATOM 4554 CG HIS A 579 -4.959 6.374 31.535 1.00 62.25 C +ATOM 4555 CD2 HIS A 579 -5.712 6.326 30.393 1.00 62.25 C +ATOM 4556 ND1 HIS A 579 -3.757 5.760 31.258 1.00 62.25 N +ATOM 4557 CE1 HIS A 579 -3.784 5.345 29.982 1.00 62.25 C +ATOM 4558 NE2 HIS A 579 -4.950 5.675 29.414 1.00 62.25 N +ATOM 4559 N TYR A 580 -6.240 6.660 36.080 1.00 59.00 N +ATOM 4560 CA TYR A 580 -5.930 7.127 37.437 1.00 59.00 C +ATOM 4561 C TYR A 580 -5.948 6.010 38.495 1.00 59.00 C +ATOM 4562 CB TYR A 580 -6.797 8.342 37.797 1.00 59.00 C +ATOM 4563 O TYR A 580 -5.116 6.037 39.407 1.00 59.00 O +ATOM 4564 CG TYR A 580 -6.310 9.615 37.121 1.00 59.00 C +ATOM 4565 CD1 TYR A 580 -5.230 10.333 37.674 1.00 59.00 C +ATOM 4566 CD2 TYR A 580 -6.901 10.066 35.925 1.00 59.00 C +ATOM 4567 CE1 TYR A 580 -4.752 11.498 37.041 1.00 59.00 C +ATOM 4568 CE2 TYR A 580 -6.416 11.218 35.279 1.00 59.00 C +ATOM 4569 OH TYR A 580 -4.895 13.065 35.224 1.00 59.00 O +ATOM 4570 CZ TYR A 580 -5.348 11.942 35.839 1.00 59.00 C +ATOM 4571 N LYS A 581 -6.790 4.971 38.362 1.00 52.19 N +ATOM 4572 CA LYS A 581 -6.798 3.837 39.316 1.00 52.19 C +ATOM 4573 C LYS A 581 -5.570 2.914 39.187 1.00 52.19 C +ATOM 4574 CB LYS A 581 -8.133 3.067 39.233 1.00 52.19 C +ATOM 4575 O LYS A 581 -5.236 2.214 40.143 1.00 52.19 O +ATOM 4576 CG LYS A 581 -9.298 3.857 39.864 1.00 52.19 C +ATOM 4577 CD LYS A 581 -10.654 3.152 39.676 1.00 52.19 C +ATOM 4578 CE LYS A 581 -11.788 3.933 40.357 1.00 52.19 C +ATOM 4579 NZ LYS A 581 -13.130 3.422 39.982 1.00 52.19 N +ATOM 4580 N GLY A 582 -4.842 2.953 38.065 1.00 49.84 N +ATOM 4581 CA GLY A 582 -3.641 2.134 37.838 1.00 49.84 C +ATOM 4582 C GLY A 582 -2.349 2.626 38.516 1.00 49.84 C +ATOM 4583 O GLY A 582 -1.426 1.839 38.723 1.00 49.84 O +ATOM 4584 N SER A 583 -2.250 3.909 38.891 1.00 41.94 N +ATOM 4585 CA SER A 583 -0.954 4.544 39.215 1.00 41.94 C +ATOM 4586 C SER A 583 -0.555 4.557 40.708 1.00 41.94 C +ATOM 4587 CB SER A 583 -0.897 5.947 38.597 1.00 41.94 C +ATOM 4588 O SER A 583 0.469 5.145 41.064 1.00 41.94 O +ATOM 4589 OG SER A 583 0.427 6.443 38.662 1.00 41.94 O +ATOM 4590 N SER A 584 -1.312 3.914 41.605 1.00 43.50 N +ATOM 4591 CA SER A 584 -1.123 4.059 43.067 1.00 43.50 C +ATOM 4592 C SER A 584 -0.062 3.131 43.707 1.00 43.50 C +ATOM 4593 CB SER A 584 -2.477 4.006 43.786 1.00 43.50 C +ATOM 4594 O SER A 584 0.043 3.033 44.929 1.00 43.50 O +ATOM 4595 OG SER A 584 -2.446 4.843 44.924 1.00 43.50 O +ATOM 4596 N ARG A 585 0.768 2.436 42.911 1.00 42.34 N +ATOM 4597 CA ARG A 585 1.925 1.654 43.405 1.00 42.34 C +ATOM 4598 C ARG A 585 3.239 2.233 42.888 1.00 42.34 C +ATOM 4599 CB ARG A 585 1.755 0.151 43.126 1.00 42.34 C +ATOM 4600 O ARG A 585 3.698 1.933 41.792 1.00 42.34 O +ATOM 4601 CG ARG A 585 0.955 -0.503 44.265 1.00 42.34 C +ATOM 4602 CD ARG A 585 0.878 -2.025 44.104 1.00 42.34 C +ATOM 4603 NE ARG A 585 0.404 -2.668 45.349 1.00 42.34 N +ATOM 4604 NH1 ARG A 585 -1.444 -3.776 44.529 1.00 42.34 N +ATOM 4605 NH2 ARG A 585 -0.900 -3.977 46.678 1.00 42.34 N +ATOM 4606 CZ ARG A 585 -0.640 -3.467 45.507 1.00 42.34 C +ATOM 4607 N GLY A 586 3.811 3.103 43.715 1.00 34.44 N +ATOM 4608 CA GLY A 586 4.836 4.060 43.324 1.00 34.44 C +ATOM 4609 C GLY A 586 6.131 3.513 42.720 1.00 34.44 C +ATOM 4610 O GLY A 586 6.747 2.570 43.215 1.00 34.44 O +ATOM 4611 N ARG A 587 6.649 4.285 41.760 1.00 36.16 N +ATOM 4612 CA ARG A 587 8.080 4.591 41.687 1.00 36.16 C +ATOM 4613 C ARG A 587 8.294 5.992 41.116 1.00 36.16 C +ATOM 4614 CB ARG A 587 8.816 3.509 40.882 1.00 36.16 C +ATOM 4615 O ARG A 587 8.052 6.235 39.941 1.00 36.16 O +ATOM 4616 CG ARG A 587 10.327 3.592 41.133 1.00 36.16 C +ATOM 4617 CD ARG A 587 11.027 2.342 40.593 1.00 36.16 C +ATOM 4618 NE ARG A 587 12.475 2.378 40.885 1.00 36.16 N +ATOM 4619 NH1 ARG A 587 12.773 0.161 41.440 1.00 36.16 N +ATOM 4620 NH2 ARG A 587 14.514 1.544 41.472 1.00 36.16 N +ATOM 4621 CZ ARG A 587 13.240 1.364 41.261 1.00 36.16 C +ATOM 4622 N SER A 588 8.785 6.908 41.948 1.00 33.44 N +ATOM 4623 CA SER A 588 9.177 8.250 41.505 1.00 33.44 C +ATOM 4624 C SER A 588 10.336 8.166 40.506 1.00 33.44 C +ATOM 4625 CB SER A 588 9.579 9.094 42.721 1.00 33.44 C +ATOM 4626 O SER A 588 11.423 7.705 40.869 1.00 33.44 O +ATOM 4627 OG SER A 588 9.980 10.384 42.309 1.00 33.44 O +ATOM 4628 N LYS A 589 10.124 8.604 39.253 1.00 39.16 N +ATOM 4629 CA LYS A 589 11.223 8.930 38.330 1.00 39.16 C +ATOM 4630 C LYS A 589 10.818 9.882 37.187 1.00 39.16 C +ATOM 4631 CB LYS A 589 11.881 7.636 37.787 1.00 39.16 C +ATOM 4632 O LYS A 589 10.251 9.466 36.190 1.00 39.16 O +ATOM 4633 CG LYS A 589 13.395 7.848 37.623 1.00 39.16 C +ATOM 4634 CD LYS A 589 14.116 6.578 37.153 1.00 39.16 C +ATOM 4635 CE LYS A 589 15.630 6.832 37.107 1.00 39.16 C +ATOM 4636 NZ LYS A 589 16.370 5.684 36.521 1.00 39.16 N +ATOM 4637 N SER A 590 11.272 11.132 37.297 1.00 35.91 N +ATOM 4638 CA SER A 590 11.582 12.042 36.177 1.00 35.91 C +ATOM 4639 C SER A 590 10.449 12.452 35.214 1.00 35.91 C +ATOM 4640 CB SER A 590 12.791 11.489 35.414 1.00 35.91 C +ATOM 4641 O SER A 590 10.432 12.073 34.043 1.00 35.91 O +ATOM 4642 OG SER A 590 13.254 12.445 34.488 1.00 35.91 O +ATOM 4643 N SER A 591 9.608 13.387 35.655 1.00 34.25 N +ATOM 4644 CA SER A 591 8.738 14.206 34.799 1.00 34.25 C +ATOM 4645 C SER A 591 9.535 15.158 33.880 1.00 34.25 C +ATOM 4646 CB SER A 591 7.788 15.006 35.708 1.00 34.25 C +ATOM 4647 O SER A 591 9.802 16.301 34.246 1.00 34.25 O +ATOM 4648 OG SER A 591 8.487 15.568 36.813 1.00 34.25 O +ATOM 4649 N ARG A 592 9.929 14.705 32.677 1.00 36.25 N +ATOM 4650 CA ARG A 592 10.558 15.556 31.631 1.00 36.25 C +ATOM 4651 C ARG A 592 10.259 15.166 30.169 1.00 36.25 C +ATOM 4652 CB ARG A 592 12.081 15.708 31.857 1.00 36.25 C +ATOM 4653 O ARG A 592 11.078 15.437 29.304 1.00 36.25 O +ATOM 4654 CG ARG A 592 12.460 16.667 32.988 1.00 36.25 C +ATOM 4655 CD ARG A 592 13.892 17.152 32.766 1.00 36.25 C +ATOM 4656 NE ARG A 592 14.401 17.880 33.936 1.00 36.25 N +ATOM 4657 NH1 ARG A 592 16.549 18.124 33.175 1.00 36.25 N +ATOM 4658 NH2 ARG A 592 16.013 18.829 35.228 1.00 36.25 N +ATOM 4659 CZ ARG A 592 15.648 18.274 34.107 1.00 36.25 C +ATOM 4660 N PHE A 593 9.099 14.584 29.864 1.00 34.31 N +ATOM 4661 CA PHE A 593 8.645 14.451 28.469 1.00 34.31 C +ATOM 4662 C PHE A 593 7.142 14.719 28.348 1.00 34.31 C +ATOM 4663 CB PHE A 593 9.098 13.112 27.853 1.00 34.31 C +ATOM 4664 O PHE A 593 6.333 13.804 28.271 1.00 34.31 O +ATOM 4665 CG PHE A 593 10.554 13.125 27.414 1.00 34.31 C +ATOM 4666 CD1 PHE A 593 10.929 13.846 26.262 1.00 34.31 C +ATOM 4667 CD2 PHE A 593 11.544 12.477 28.178 1.00 34.31 C +ATOM 4668 CE1 PHE A 593 12.282 13.935 25.888 1.00 34.31 C +ATOM 4669 CE2 PHE A 593 12.899 12.566 27.804 1.00 34.31 C +ATOM 4670 CZ PHE A 593 13.268 13.299 26.662 1.00 34.31 C +ATOM 4671 N SER A 594 6.791 16.007 28.333 1.00 33.41 N +ATOM 4672 CA SER A 594 5.617 16.482 27.600 1.00 33.41 C +ATOM 4673 C SER A 594 6.114 16.848 26.203 1.00 33.41 C +ATOM 4674 CB SER A 594 4.977 17.682 28.304 1.00 33.41 C +ATOM 4675 O SER A 594 6.921 17.768 26.061 1.00 33.41 O +ATOM 4676 OG SER A 594 3.839 18.085 27.575 1.00 33.41 O +ATOM 4677 N GLY A 595 5.737 16.062 25.197 1.00 34.88 N +ATOM 4678 CA GLY A 595 6.195 16.210 23.817 1.00 34.88 C +ATOM 4679 C GLY A 595 5.099 15.735 22.875 1.00 34.88 C +ATOM 4680 O GLY A 595 4.700 14.577 22.945 1.00 34.88 O +ATOM 4681 N GLY A 596 4.578 16.656 22.062 1.00 35.41 N +ATOM 4682 CA GLY A 596 3.379 16.442 21.251 1.00 35.41 C +ATOM 4683 C GLY A 596 3.513 15.315 20.225 1.00 35.41 C +ATOM 4684 O GLY A 596 4.575 15.098 19.643 1.00 35.41 O +ATOM 4685 N PHE A 597 2.401 14.620 20.007 1.00 41.78 N +ATOM 4686 CA PHE A 597 2.281 13.470 19.118 1.00 41.78 C +ATOM 4687 C PHE A 597 2.324 13.896 17.631 1.00 41.78 C +ATOM 4688 CB PHE A 597 0.960 12.763 19.493 1.00 41.78 C +ATOM 4689 O PHE A 597 1.576 14.779 17.217 1.00 41.78 O +ATOM 4690 CG PHE A 597 0.927 11.254 19.345 1.00 41.78 C +ATOM 4691 CD1 PHE A 597 0.275 10.661 18.247 1.00 41.78 C +ATOM 4692 CD2 PHE A 597 1.454 10.439 20.367 1.00 41.78 C +ATOM 4693 CE1 PHE A 597 0.151 9.262 18.174 1.00 41.78 C +ATOM 4694 CE2 PHE A 597 1.328 9.039 20.293 1.00 41.78 C +ATOM 4695 CZ PHE A 597 0.673 8.452 19.197 1.00 41.78 C +ATOM 4696 N GLY A 598 3.162 13.237 16.820 1.00 43.84 N +ATOM 4697 CA GLY A 598 2.839 12.940 15.412 1.00 43.84 C +ATOM 4698 C GLY A 598 3.381 13.799 14.252 1.00 43.84 C +ATOM 4699 O GLY A 598 3.222 13.358 13.119 1.00 43.84 O +ATOM 4700 N ALA A 599 4.010 14.969 14.451 1.00 54.03 N +ATOM 4701 CA ALA A 599 4.140 15.958 13.352 1.00 54.03 C +ATOM 4702 C ALA A 599 5.521 16.633 13.126 1.00 54.03 C +ATOM 4703 CB ALA A 599 3.005 16.982 13.521 1.00 54.03 C +ATOM 4704 O ALA A 599 5.566 17.811 12.781 1.00 54.03 O +ATOM 4705 N ARG A 600 6.668 15.955 13.315 1.00 49.69 N +ATOM 4706 CA ARG A 600 7.995 16.547 12.993 1.00 49.69 C +ATOM 4707 C ARG A 600 8.948 15.597 12.270 1.00 49.69 C +ATOM 4708 CB ARG A 600 8.670 17.132 14.249 1.00 49.69 C +ATOM 4709 O ARG A 600 9.240 14.515 12.769 1.00 49.69 O +ATOM 4710 CG ARG A 600 8.108 18.519 14.590 1.00 49.69 C +ATOM 4711 CD ARG A 600 8.853 19.164 15.762 1.00 49.69 C +ATOM 4712 NE ARG A 600 8.424 20.565 15.926 1.00 49.69 N +ATOM 4713 NH1 ARG A 600 8.866 20.821 18.164 1.00 49.69 N +ATOM 4714 NH2 ARG A 600 8.029 22.530 16.992 1.00 49.69 N +ATOM 4715 CZ ARG A 600 8.443 21.295 17.024 1.00 49.69 C +ATOM 4716 N ASP A 601 9.499 16.067 11.149 1.00 53.12 N +ATOM 4717 CA ASP A 601 10.612 15.433 10.436 1.00 53.12 C +ATOM 4718 C ASP A 601 11.872 15.409 11.326 1.00 53.12 C +ATOM 4719 CB ASP A 601 10.850 16.179 9.103 1.00 53.12 C +ATOM 4720 O ASP A 601 12.337 16.445 11.816 1.00 53.12 O +ATOM 4721 CG ASP A 601 11.931 15.565 8.197 1.00 53.12 C +ATOM 4722 OD1 ASP A 601 12.763 14.767 8.683 1.00 53.12 O +ATOM 4723 OD2 ASP A 601 12.000 15.934 7.005 1.00 53.12 O +ATOM 4724 N TYR A 602 12.454 14.222 11.517 1.00 56.88 N +ATOM 4725 CA TYR A 602 13.679 14.029 12.297 1.00 56.88 C +ATOM 4726 C TYR A 602 14.874 14.840 11.762 1.00 56.88 C +ATOM 4727 CB TYR A 602 14.006 12.530 12.363 1.00 56.88 C +ATOM 4728 O TYR A 602 15.753 15.199 12.546 1.00 56.88 O +ATOM 4729 CG TYR A 602 15.316 12.223 13.068 1.00 56.88 C +ATOM 4730 CD1 TYR A 602 16.488 12.026 12.310 1.00 56.88 C +ATOM 4731 CD2 TYR A 602 15.380 12.215 14.476 1.00 56.88 C +ATOM 4732 CE1 TYR A 602 17.723 11.825 12.955 1.00 56.88 C +ATOM 4733 CE2 TYR A 602 16.615 12.016 15.126 1.00 56.88 C +ATOM 4734 OH TYR A 602 18.983 11.640 14.984 1.00 56.88 O +ATOM 4735 CZ TYR A 602 17.788 11.824 14.363 1.00 56.88 C +ATOM 4736 N ARG A 603 14.898 15.219 10.475 1.00 65.25 N +ATOM 4737 CA ARG A 603 15.931 16.106 9.903 1.00 65.25 C +ATOM 4738 C ARG A 603 15.989 17.476 10.589 1.00 65.25 C +ATOM 4739 CB ARG A 603 15.708 16.255 8.387 1.00 65.25 C +ATOM 4740 O ARG A 603 17.057 18.080 10.652 1.00 65.25 O +ATOM 4741 CG ARG A 603 15.963 14.927 7.653 1.00 65.25 C +ATOM 4742 CD ARG A 603 15.795 15.047 6.136 1.00 65.25 C +ATOM 4743 NE ARG A 603 14.386 15.203 5.748 1.00 65.25 N +ATOM 4744 NH1 ARG A 603 14.665 15.137 3.472 1.00 65.25 N +ATOM 4745 NH2 ARG A 603 12.643 15.454 4.344 1.00 65.25 N +ATOM 4746 CZ ARG A 603 13.908 15.254 4.523 1.00 65.25 C +ATOM 4747 N GLN A 604 14.886 17.936 11.185 1.00 55.78 N +ATOM 4748 CA GLN A 604 14.863 19.155 12.002 1.00 55.78 C +ATOM 4749 C GLN A 604 15.395 18.928 13.434 1.00 55.78 C +ATOM 4750 CB GLN A 604 13.442 19.740 12.019 1.00 55.78 C +ATOM 4751 O GLN A 604 15.775 19.880 14.114 1.00 55.78 O +ATOM 4752 CG GLN A 604 12.910 20.079 10.611 1.00 55.78 C +ATOM 4753 CD GLN A 604 11.544 20.764 10.637 1.00 55.78 C +ATOM 4754 NE2 GLN A 604 10.942 21.004 9.493 1.00 55.78 N +ATOM 4755 OE1 GLN A 604 10.995 21.095 11.677 1.00 55.78 O +ATOM 4756 N SER A 605 15.482 17.677 13.902 1.00 50.38 N +ATOM 4757 CA SER A 605 15.925 17.327 15.261 1.00 50.38 C +ATOM 4758 C SER A 605 17.450 17.343 15.457 1.00 50.38 C +ATOM 4759 CB SER A 605 15.362 15.958 15.665 1.00 50.38 C +ATOM 4760 O SER A 605 17.906 17.205 16.593 1.00 50.38 O +ATOM 4761 OG SER A 605 15.577 15.745 17.048 1.00 50.38 O +ATOM 4762 N SER A 606 18.244 17.500 14.394 1.00 43.19 N +ATOM 4763 CA SER A 606 19.719 17.464 14.436 1.00 43.19 C +ATOM 4764 C SER A 606 20.409 18.831 14.283 1.00 43.19 C +ATOM 4765 CB SER A 606 20.245 16.431 13.426 1.00 43.19 C +ATOM 4766 O SER A 606 21.635 18.884 14.260 1.00 43.19 O +ATOM 4767 OG SER A 606 19.595 16.532 12.172 1.00 43.19 O +ATOM 4768 N GLY A 607 19.655 19.936 14.186 1.00 37.03 N +ATOM 4769 CA GLY A 607 20.197 21.273 13.875 1.00 37.03 C +ATOM 4770 C GLY A 607 20.344 22.264 15.042 1.00 37.03 C +ATOM 4771 O GLY A 607 20.885 23.346 14.840 1.00 37.03 O +ATOM 4772 N ALA A 608 19.866 21.941 16.250 1.00 35.38 N +ATOM 4773 CA ALA A 608 19.677 22.922 17.332 1.00 35.38 C +ATOM 4774 C ALA A 608 20.322 22.513 18.674 1.00 35.38 C +ATOM 4775 CB ALA A 608 18.178 23.242 17.439 1.00 35.38 C +ATOM 4776 O ALA A 608 19.670 22.500 19.717 1.00 35.38 O +ATOM 4777 N SER A 609 21.617 22.176 18.669 1.00 33.69 N +ATOM 4778 CA SER A 609 22.356 21.836 19.899 1.00 33.69 C +ATOM 4779 C SER A 609 23.826 22.281 19.887 1.00 33.69 C +ATOM 4780 CB SER A 609 22.189 20.347 20.239 1.00 33.69 C +ATOM 4781 O SER A 609 24.730 21.488 20.150 1.00 33.69 O +ATOM 4782 OG SER A 609 22.833 19.529 19.288 1.00 33.69 O +ATOM 4783 N SER A 610 24.079 23.562 19.599 1.00 33.25 N +ATOM 4784 CA SER A 610 25.421 24.167 19.668 1.00 33.25 C +ATOM 4785 C SER A 610 25.407 25.608 20.202 1.00 33.25 C +ATOM 4786 CB SER A 610 26.145 24.046 18.320 1.00 33.25 C +ATOM 4787 O SER A 610 26.065 26.491 19.656 1.00 33.25 O +ATOM 4788 OG SER A 610 25.508 24.839 17.344 1.00 33.25 O +ATOM 4789 N SER A 611 24.662 25.861 21.283 1.00 36.47 N +ATOM 4790 CA SER A 611 24.620 27.161 21.968 1.00 36.47 C +ATOM 4791 C SER A 611 25.041 27.034 23.436 1.00 36.47 C +ATOM 4792 CB SER A 611 23.247 27.819 21.804 1.00 36.47 C +ATOM 4793 O SER A 611 24.222 26.815 24.328 1.00 36.47 O +ATOM 4794 OG SER A 611 22.243 27.001 22.363 1.00 36.47 O +ATOM 4795 N SER A 612 26.351 27.152 23.652 1.00 32.44 N +ATOM 4796 CA SER A 612 27.003 27.733 24.837 1.00 32.44 C +ATOM 4797 C SER A 612 26.100 28.095 26.033 1.00 32.44 C +ATOM 4798 CB SER A 612 27.728 29.004 24.364 1.00 32.44 C +ATOM 4799 O SER A 612 25.550 29.195 26.092 1.00 32.44 O +ATOM 4800 OG SER A 612 26.822 29.861 23.693 1.00 32.44 O +ATOM 4801 N PHE A 613 26.041 27.223 27.042 1.00 32.47 N +ATOM 4802 CA PHE A 613 25.488 27.549 28.360 1.00 32.47 C +ATOM 4803 C PHE A 613 26.470 27.121 29.459 1.00 32.47 C +ATOM 4804 CB PHE A 613 24.043 27.037 28.517 1.00 32.47 C +ATOM 4805 O PHE A 613 26.561 25.962 29.862 1.00 32.47 O +ATOM 4806 CG PHE A 613 23.795 25.538 28.467 1.00 32.47 C +ATOM 4807 CD1 PHE A 613 24.001 24.815 27.276 1.00 32.47 C +ATOM 4808 CD2 PHE A 613 23.266 24.876 29.593 1.00 32.47 C +ATOM 4809 CE1 PHE A 613 23.717 23.440 27.219 1.00 32.47 C +ATOM 4810 CE2 PHE A 613 22.962 23.504 29.531 1.00 32.47 C +ATOM 4811 CZ PHE A 613 23.195 22.784 28.346 1.00 32.47 C +ATOM 4812 N SER A 614 27.273 28.085 29.908 1.00 32.28 N +ATOM 4813 CA SER A 614 28.301 27.923 30.936 1.00 32.28 C +ATOM 4814 C SER A 614 27.671 27.732 32.319 1.00 32.28 C +ATOM 4815 CB SER A 614 29.238 29.142 30.915 1.00 32.28 C +ATOM 4816 O SER A 614 27.326 28.690 33.006 1.00 32.28 O +ATOM 4817 OG SER A 614 28.506 30.345 30.747 1.00 32.28 O +ATOM 4818 N SER A 615 27.545 26.482 32.771 1.00 36.44 N +ATOM 4819 CA SER A 615 27.060 26.193 34.124 1.00 36.44 C +ATOM 4820 C SER A 615 28.154 26.432 35.175 1.00 36.44 C +ATOM 4821 CB SER A 615 26.461 24.783 34.206 1.00 36.44 C +ATOM 4822 O SER A 615 28.904 25.517 35.534 1.00 36.44 O +ATOM 4823 OG SER A 615 27.451 23.786 34.048 1.00 36.44 O +ATOM 4824 N SER A 616 28.232 27.654 35.701 1.00 35.62 N +ATOM 4825 CA SER A 616 29.019 28.007 36.886 1.00 35.62 C +ATOM 4826 C SER A 616 28.452 27.317 38.136 1.00 35.62 C +ATOM 4827 CB SER A 616 29.092 29.537 37.042 1.00 35.62 C +ATOM 4828 O SER A 616 27.601 27.840 38.852 1.00 35.62 O +ATOM 4829 OG SER A 616 27.898 30.162 36.607 1.00 35.62 O +ATOM 4830 N ARG A 617 28.928 26.095 38.409 1.00 37.19 N +ATOM 4831 CA ARG A 617 28.588 25.349 39.628 1.00 37.19 C +ATOM 4832 C ARG A 617 29.278 25.968 40.842 1.00 37.19 C +ATOM 4833 CB ARG A 617 28.970 23.866 39.492 1.00 37.19 C +ATOM 4834 O ARG A 617 30.468 25.758 41.055 1.00 37.19 O +ATOM 4835 CG ARG A 617 28.018 23.096 38.571 1.00 37.19 C +ATOM 4836 CD ARG A 617 28.435 21.622 38.513 1.00 37.19 C +ATOM 4837 NE ARG A 617 27.496 20.829 37.698 1.00 37.19 N +ATOM 4838 NH1 ARG A 617 28.771 18.924 37.529 1.00 37.19 N +ATOM 4839 NH2 ARG A 617 26.772 19.005 36.545 1.00 37.19 N +ATOM 4840 CZ ARG A 617 27.683 19.594 37.265 1.00 37.19 C +ATOM 4841 N ALA A 618 28.512 26.666 41.673 1.00 36.66 N +ATOM 4842 CA ALA A 618 28.933 26.992 43.028 1.00 36.66 C +ATOM 4843 C ALA A 618 28.959 25.710 43.884 1.00 36.66 C +ATOM 4844 CB ALA A 618 27.982 28.056 43.593 1.00 36.66 C +ATOM 4845 O ALA A 618 27.911 25.137 44.174 1.00 36.66 O +ATOM 4846 N SER A 619 30.148 25.262 44.299 1.00 39.94 N +ATOM 4847 CA SER A 619 30.310 24.217 45.319 1.00 39.94 C +ATOM 4848 C SER A 619 30.982 24.793 46.562 1.00 39.94 C +ATOM 4849 CB SER A 619 31.070 22.998 44.783 1.00 39.94 C +ATOM 4850 O SER A 619 32.185 25.060 46.575 1.00 39.94 O +ATOM 4851 OG SER A 619 32.398 23.324 44.435 1.00 39.94 O +ATOM 4852 N SER A 620 30.206 24.975 47.624 1.00 39.22 N +ATOM 4853 CA SER A 620 30.688 25.449 48.917 1.00 39.22 C +ATOM 4854 C SER A 620 31.162 24.291 49.804 1.00 39.22 C +ATOM 4855 CB SER A 620 29.556 26.227 49.604 1.00 39.22 C +ATOM 4856 O SER A 620 30.347 23.704 50.513 1.00 39.22 O +ATOM 4857 OG SER A 620 28.396 25.421 49.692 1.00 39.22 O +ATOM 4858 N SER A 621 32.469 24.007 49.843 1.00 44.94 N +ATOM 4859 CA SER A 621 33.106 23.385 51.022 1.00 44.94 C +ATOM 4860 C SER A 621 34.640 23.365 50.950 1.00 44.94 C +ATOM 4861 CB SER A 621 32.628 21.941 51.274 1.00 44.94 C +ATOM 4862 O SER A 621 35.206 22.644 50.139 1.00 44.94 O +ATOM 4863 OG SER A 621 32.785 21.132 50.131 1.00 44.94 O +ATOM 4864 N ARG A 622 35.270 24.115 51.870 1.00 39.06 N +ATOM 4865 CA ARG A 622 36.499 23.795 52.641 1.00 39.06 C +ATOM 4866 C ARG A 622 37.593 22.988 51.900 1.00 39.06 C +ATOM 4867 CB ARG A 622 36.057 23.069 53.930 1.00 39.06 C +ATOM 4868 O ARG A 622 37.457 21.790 51.720 1.00 39.06 O +ATOM 4869 CG ARG A 622 35.155 23.942 54.824 1.00 39.06 C +ATOM 4870 CD ARG A 622 34.590 23.154 56.010 1.00 39.06 C +ATOM 4871 NE ARG A 622 33.789 24.024 56.896 1.00 39.06 N +ATOM 4872 NH1 ARG A 622 32.853 22.378 58.201 1.00 39.06 N +ATOM 4873 NH2 ARG A 622 32.407 24.517 58.640 1.00 39.06 N +ATOM 4874 CZ ARG A 622 33.023 23.636 57.902 1.00 39.06 C +ATOM 4875 N SER A 623 38.669 23.624 51.429 1.00 39.03 N +ATOM 4876 CA SER A 623 39.849 24.073 52.212 1.00 39.03 C +ATOM 4877 C SER A 623 40.877 22.964 52.497 1.00 39.03 C +ATOM 4878 CB SER A 623 39.501 24.777 53.533 1.00 39.03 C +ATOM 4879 O SER A 623 40.585 22.046 53.256 1.00 39.03 O +ATOM 4880 OG SER A 623 40.681 25.276 54.129 1.00 39.03 O +ATOM 4881 N GLY A 624 42.102 23.139 51.976 1.00 36.91 N +ATOM 4882 CA GLY A 624 43.322 22.458 52.443 1.00 36.91 C +ATOM 4883 C GLY A 624 44.117 21.711 51.361 1.00 36.91 C +ATOM 4884 O GLY A 624 43.653 20.682 50.904 1.00 36.91 O +ATOM 4885 N GLY A 625 45.301 22.250 51.005 1.00 37.44 N +ATOM 4886 CA GLY A 625 46.480 21.661 50.311 1.00 37.44 C +ATOM 4887 C GLY A 625 46.329 20.418 49.402 1.00 37.44 C +ATOM 4888 O GLY A 625 45.799 19.399 49.810 1.00 37.44 O +ATOM 4889 N GLY A 626 46.865 20.353 48.178 1.00 38.09 N +ATOM 4890 CA GLY A 626 47.990 21.086 47.582 1.00 38.09 C +ATOM 4891 C GLY A 626 49.170 20.134 47.315 1.00 38.09 C +ATOM 4892 O GLY A 626 49.676 19.544 48.261 1.00 38.09 O +ATOM 4893 N GLY A 627 49.630 19.989 46.059 1.00 39.25 N +ATOM 4894 CA GLY A 627 50.830 19.180 45.758 1.00 39.25 C +ATOM 4895 C GLY A 627 50.936 18.499 44.379 1.00 39.25 C +ATOM 4896 O GLY A 627 50.724 17.303 44.294 1.00 39.25 O +ATOM 4897 N HIS A 628 51.356 19.261 43.358 1.00 42.31 N +ATOM 4898 CA HIS A 628 52.345 18.920 42.301 1.00 42.31 C +ATOM 4899 C HIS A 628 52.296 17.634 41.418 1.00 42.31 C +ATOM 4900 CB HIS A 628 53.745 19.071 42.919 1.00 42.31 C +ATOM 4901 O HIS A 628 52.190 16.514 41.896 1.00 42.31 O +ATOM 4902 CG HIS A 628 54.075 20.507 43.241 1.00 42.31 C +ATOM 4903 CD2 HIS A 628 54.695 21.389 42.399 1.00 42.31 C +ATOM 4904 ND1 HIS A 628 53.762 21.196 44.393 1.00 42.31 N +ATOM 4905 CE1 HIS A 628 54.177 22.466 44.239 1.00 42.31 C +ATOM 4906 NE2 HIS A 628 54.742 22.630 43.035 1.00 42.31 N +ATOM 4907 N GLY A 629 52.606 17.834 40.117 1.00 39.78 N +ATOM 4908 CA GLY A 629 52.986 16.814 39.103 1.00 39.78 C +ATOM 4909 C GLY A 629 51.852 16.477 38.115 1.00 39.78 C +ATOM 4910 O GLY A 629 50.879 15.862 38.519 1.00 39.78 O +ATOM 4911 N SER A 630 51.802 16.894 36.836 1.00 41.66 N +ATOM 4912 CA SER A 630 52.825 16.989 35.762 1.00 41.66 C +ATOM 4913 C SER A 630 53.494 15.631 35.480 1.00 41.66 C +ATOM 4914 CB SER A 630 53.848 18.106 36.011 1.00 41.66 C +ATOM 4915 O SER A 630 53.972 15.016 36.420 1.00 41.66 O +ATOM 4916 OG SER A 630 54.310 18.652 34.784 1.00 41.66 O +ATOM 4917 N SER A 631 53.600 15.099 34.252 1.00 41.19 N +ATOM 4918 CA SER A 631 53.321 15.620 32.897 1.00 41.19 C +ATOM 4919 C SER A 631 53.163 14.454 31.889 1.00 41.19 C +ATOM 4920 CB SER A 631 54.536 16.443 32.429 1.00 41.19 C +ATOM 4921 O SER A 631 53.566 13.352 32.222 1.00 41.19 O +ATOM 4922 OG SER A 631 54.120 17.687 31.904 1.00 41.19 O +ATOM 4923 N ARG A 632 52.639 14.733 30.674 1.00 39.12 N +ATOM 4924 CA ARG A 632 52.946 14.150 29.324 1.00 39.12 C +ATOM 4925 C ARG A 632 53.468 12.685 29.240 1.00 39.12 C +ATOM 4926 CB ARG A 632 54.016 15.055 28.672 1.00 39.12 C +ATOM 4927 O ARG A 632 54.451 12.355 29.879 1.00 39.12 O +ATOM 4928 CG ARG A 632 53.648 16.550 28.567 1.00 39.12 C +ATOM 4929 CD ARG A 632 54.907 17.402 28.355 1.00 39.12 C +ATOM 4930 NE ARG A 632 54.614 18.845 28.477 1.00 39.12 N +ATOM 4931 NH1 ARG A 632 56.745 19.622 28.107 1.00 39.12 N +ATOM 4932 NH2 ARG A 632 55.103 21.072 28.527 1.00 39.12 N +ATOM 4933 CZ ARG A 632 55.485 19.835 28.371 1.00 39.12 C +ATOM 4934 N GLY A 633 53.019 11.799 28.345 1.00 37.12 N +ATOM 4935 CA GLY A 633 52.199 11.925 27.130 1.00 37.12 C +ATOM 4936 C GLY A 633 52.733 10.989 26.017 1.00 37.12 C +ATOM 4937 O GLY A 633 53.894 10.609 26.077 1.00 37.12 O +ATOM 4938 N PHE A 634 51.914 10.693 24.994 1.00 35.75 N +ATOM 4939 CA PHE A 634 52.248 9.994 23.725 1.00 35.75 C +ATOM 4940 C PHE A 634 52.774 8.538 23.738 1.00 35.75 C +ATOM 4941 CB PHE A 634 53.182 10.863 22.860 1.00 35.75 C +ATOM 4942 O PHE A 634 53.646 8.167 24.510 1.00 35.75 O +ATOM 4943 CG PHE A 634 52.455 11.863 21.991 1.00 35.75 C +ATOM 4944 CD1 PHE A 634 52.090 11.512 20.677 1.00 35.75 C +ATOM 4945 CD2 PHE A 634 52.135 13.138 22.492 1.00 35.75 C +ATOM 4946 CE1 PHE A 634 51.405 12.433 19.867 1.00 35.75 C +ATOM 4947 CE2 PHE A 634 51.447 14.058 21.681 1.00 35.75 C +ATOM 4948 CZ PHE A 634 51.082 13.705 20.370 1.00 35.75 C +ATOM 4949 N GLY A 635 52.344 7.768 22.723 1.00 36.09 N +ATOM 4950 CA GLY A 635 53.126 6.653 22.156 1.00 36.09 C +ATOM 4951 C GLY A 635 52.406 5.302 22.116 1.00 36.09 C +ATOM 4952 O GLY A 635 52.333 4.617 23.126 1.00 36.09 O +ATOM 4953 N GLY A 636 51.886 4.919 20.945 1.00 34.50 N +ATOM 4954 CA GLY A 636 51.142 3.669 20.731 1.00 34.50 C +ATOM 4955 C GLY A 636 51.985 2.409 20.474 1.00 34.50 C +ATOM 4956 O GLY A 636 53.208 2.434 20.573 1.00 34.50 O +ATOM 4957 N GLY A 637 51.309 1.330 20.055 1.00 35.81 N +ATOM 4958 CA GLY A 637 51.941 0.182 19.387 1.00 35.81 C +ATOM 4959 C GLY A 637 51.509 -1.211 19.867 1.00 35.81 C +ATOM 4960 O GLY A 637 52.111 -1.740 20.793 1.00 35.81 O +ATOM 4961 N GLY A 638 50.564 -1.835 19.143 1.00 34.41 N +ATOM 4962 CA GLY A 638 50.342 -3.297 19.111 1.00 34.41 C +ATOM 4963 C GLY A 638 49.755 -3.960 20.377 1.00 34.41 C +ATOM 4964 O GLY A 638 49.572 -3.307 21.395 1.00 34.41 O +ATOM 4965 N TYR A 639 49.398 -5.254 20.382 1.00 37.00 N +ATOM 4966 CA TYR A 639 49.505 -6.304 19.349 1.00 37.00 C +ATOM 4967 C TYR A 639 48.446 -7.406 19.587 1.00 37.00 C +ATOM 4968 CB TYR A 639 50.878 -7.013 19.435 1.00 37.00 C +ATOM 4969 O TYR A 639 48.162 -7.710 20.738 1.00 37.00 O +ATOM 4970 CG TYR A 639 52.096 -6.115 19.416 1.00 37.00 C +ATOM 4971 CD1 TYR A 639 52.760 -5.837 18.204 1.00 37.00 C +ATOM 4972 CD2 TYR A 639 52.518 -5.496 20.609 1.00 37.00 C +ATOM 4973 CE1 TYR A 639 53.801 -4.888 18.179 1.00 37.00 C +ATOM 4974 CE2 TYR A 639 53.540 -4.532 20.582 1.00 37.00 C +ATOM 4975 OH TYR A 639 55.109 -3.234 19.318 1.00 37.00 O +ATOM 4976 CZ TYR A 639 54.170 -4.213 19.362 1.00 37.00 C +ATOM 4977 N GLY A 640 47.989 -8.079 18.518 1.00 33.94 N +ATOM 4978 CA GLY A 640 47.562 -9.498 18.526 1.00 33.94 C +ATOM 4979 C GLY A 640 46.216 -9.883 19.174 1.00 33.94 C +ATOM 4980 O GLY A 640 45.963 -9.596 20.336 1.00 33.94 O +ATOM 4981 N GLY A 641 45.373 -10.632 18.446 1.00 36.28 N +ATOM 4982 CA GLY A 641 44.081 -11.107 18.973 1.00 36.28 C +ATOM 4983 C GLY A 641 43.230 -11.939 18.003 1.00 36.28 C +ATOM 4984 O GLY A 641 42.117 -11.547 17.692 1.00 36.28 O +ATOM 4985 N PHE A 642 43.793 -13.043 17.504 1.00 34.91 N +ATOM 4986 CA PHE A 642 43.168 -14.180 16.797 1.00 34.91 C +ATOM 4987 C PHE A 642 41.636 -14.204 16.588 1.00 34.91 C +ATOM 4988 CB PHE A 642 43.527 -15.448 17.594 1.00 34.91 C +ATOM 4989 O PHE A 642 40.875 -14.324 17.545 1.00 34.91 O +ATOM 4990 CG PHE A 642 45.013 -15.699 17.745 1.00 34.91 C +ATOM 4991 CD1 PHE A 642 45.679 -16.513 16.811 1.00 34.91 C +ATOM 4992 CD2 PHE A 642 45.731 -15.121 18.811 1.00 34.91 C +ATOM 4993 CE1 PHE A 642 47.060 -16.741 16.936 1.00 34.91 C +ATOM 4994 CE2 PHE A 642 47.115 -15.337 18.926 1.00 34.91 C +ATOM 4995 CZ PHE A 642 47.778 -16.148 17.989 1.00 34.91 C +ATOM 4996 N TYR A 643 41.217 -14.355 15.325 1.00 35.22 N +ATOM 4997 CA TYR A 643 39.957 -15.020 14.966 1.00 35.22 C +ATOM 4998 C TYR A 643 40.281 -16.184 14.033 1.00 35.22 C +ATOM 4999 CB TYR A 643 38.954 -14.047 14.330 1.00 35.22 C +ATOM 5000 O TYR A 643 40.706 -15.972 12.897 1.00 35.22 O +ATOM 5001 CG TYR A 643 38.799 -12.758 15.104 1.00 35.22 C +ATOM 5002 CD1 TYR A 643 38.294 -12.779 16.418 1.00 35.22 C +ATOM 5003 CD2 TYR A 643 39.258 -11.552 14.539 1.00 35.22 C +ATOM 5004 CE1 TYR A 643 38.276 -11.597 17.181 1.00 35.22 C +ATOM 5005 CE2 TYR A 643 39.240 -10.369 15.299 1.00 35.22 C +ATOM 5006 OH TYR A 643 38.764 -9.258 17.370 1.00 35.22 O +ATOM 5007 CZ TYR A 643 38.761 -10.395 16.627 1.00 35.22 C +ATOM 5008 N ASN A 644 40.136 -17.406 14.540 1.00 36.59 N +ATOM 5009 CA ASN A 644 40.287 -18.618 13.746 1.00 36.59 C +ATOM 5010 C ASN A 644 38.909 -19.096 13.274 1.00 36.59 C +ATOM 5011 CB ASN A 644 41.066 -19.674 14.554 1.00 36.59 C +ATOM 5012 O ASN A 644 37.896 -18.822 13.919 1.00 36.59 O +ATOM 5013 CG ASN A 644 41.874 -20.619 13.680 1.00 36.59 C +ATOM 5014 ND2 ASN A 644 42.439 -21.652 14.255 1.00 36.59 N +ATOM 5015 OD1 ASN A 644 42.043 -20.427 12.487 1.00 36.59 O +ATOM 5016 N SER A 645 38.878 -19.796 12.145 1.00 31.81 N +ATOM 5017 CA SER A 645 37.660 -20.414 11.622 1.00 31.81 C +ATOM 5018 C SER A 645 37.252 -21.602 12.491 1.00 31.81 C +ATOM 5019 CB SER A 645 37.931 -20.890 10.189 1.00 31.81 C +ATOM 5020 O SER A 645 38.056 -22.507 12.670 1.00 31.81 O +ATOM 5021 OG SER A 645 36.832 -21.586 9.635 1.00 31.81 O +ATOM 5022 N ASP A 646 35.999 -21.625 12.949 1.00 36.97 N +ATOM 5023 CA ASP A 646 35.294 -22.859 13.301 1.00 36.97 C +ATOM 5024 C ASP A 646 33.797 -22.695 13.013 1.00 36.97 C +ATOM 5025 CB ASP A 646 35.556 -23.285 14.756 1.00 36.97 C +ATOM 5026 O ASP A 646 33.186 -21.666 13.314 1.00 36.97 O +ATOM 5027 CG ASP A 646 36.693 -24.310 14.861 1.00 36.97 C +ATOM 5028 OD1 ASP A 646 36.658 -25.280 14.067 1.00 36.97 O +ATOM 5029 OD2 ASP A 646 37.528 -24.160 15.783 1.00 36.97 O +ATOM 5030 N GLY A 647 33.216 -23.690 12.344 1.00 31.02 N +ATOM 5031 CA GLY A 647 31.844 -23.631 11.846 1.00 31.02 C +ATOM 5032 C GLY A 647 30.813 -24.142 12.850 1.00 31.02 C +ATOM 5033 O GLY A 647 31.084 -25.051 13.629 1.00 31.02 O +ATOM 5034 N TYR A 648 29.585 -23.631 12.747 1.00 35.66 N +ATOM 5035 CA TYR A 648 28.401 -24.276 13.314 1.00 35.66 C +ATOM 5036 C TYR A 648 27.295 -24.348 12.263 1.00 35.66 C +ATOM 5037 CB TYR A 648 27.948 -23.584 14.609 1.00 35.66 C +ATOM 5038 O TYR A 648 26.799 -23.330 11.785 1.00 35.66 O +ATOM 5039 CG TYR A 648 28.362 -24.365 15.840 1.00 35.66 C +ATOM 5040 CD1 TYR A 648 27.481 -25.312 16.400 1.00 35.66 C +ATOM 5041 CD2 TYR A 648 29.656 -24.209 16.372 1.00 35.66 C +ATOM 5042 CE1 TYR A 648 27.894 -26.100 17.492 1.00 35.66 C +ATOM 5043 CE2 TYR A 648 30.075 -24.997 17.460 1.00 35.66 C +ATOM 5044 OH TYR A 648 29.597 -26.723 19.059 1.00 35.66 O +ATOM 5045 CZ TYR A 648 29.193 -25.947 18.020 1.00 35.66 C +ATOM 5046 N GLY A 649 26.910 -25.572 11.899 1.00 30.41 N +ATOM 5047 CA GLY A 649 25.761 -25.817 11.035 1.00 30.41 C +ATOM 5048 C GLY A 649 24.457 -25.562 11.790 1.00 30.41 C +ATOM 5049 O GLY A 649 24.132 -26.293 12.724 1.00 30.41 O +ATOM 5050 N GLY A 650 23.707 -24.541 11.375 1.00 32.81 N +ATOM 5051 CA GLY A 650 22.355 -24.258 11.854 1.00 32.81 C +ATOM 5052 C GLY A 650 21.313 -24.756 10.854 1.00 32.81 C +ATOM 5053 O GLY A 650 21.181 -24.202 9.766 1.00 32.81 O +ATOM 5054 N ASN A 651 20.571 -25.805 11.211 1.00 28.19 N +ATOM 5055 CA ASN A 651 19.492 -26.345 10.383 1.00 28.19 C +ATOM 5056 C ASN A 651 18.229 -25.470 10.502 1.00 28.19 C +ATOM 5057 CB ASN A 651 19.251 -27.807 10.797 1.00 28.19 C +ATOM 5058 O ASN A 651 17.373 -25.721 11.353 1.00 28.19 O +ATOM 5059 CG ASN A 651 18.191 -28.473 9.937 1.00 28.19 C +ATOM 5060 ND2 ASN A 651 17.233 -29.146 10.528 1.00 28.19 N +ATOM 5061 OD1 ASN A 651 18.212 -28.403 8.724 1.00 28.19 O +ATOM 5062 N TYR A 652 18.110 -24.438 9.666 1.00 35.84 N +ATOM 5063 CA TYR A 652 16.936 -23.561 9.641 1.00 35.84 C +ATOM 5064 C TYR A 652 15.836 -24.147 8.755 1.00 35.84 C +ATOM 5065 CB TYR A 652 17.327 -22.131 9.252 1.00 35.84 C +ATOM 5066 O TYR A 652 15.742 -23.868 7.561 1.00 35.84 O +ATOM 5067 CG TYR A 652 18.383 -21.548 10.169 1.00 35.84 C +ATOM 5068 CD1 TYR A 652 18.065 -21.220 11.502 1.00 35.84 C +ATOM 5069 CD2 TYR A 652 19.703 -21.404 9.703 1.00 35.84 C +ATOM 5070 CE1 TYR A 652 19.071 -20.761 12.375 1.00 35.84 C +ATOM 5071 CE2 TYR A 652 20.710 -20.948 10.571 1.00 35.84 C +ATOM 5072 OH TYR A 652 21.384 -20.214 12.743 1.00 35.84 O +ATOM 5073 CZ TYR A 652 20.398 -20.630 11.907 1.00 35.84 C +ATOM 5074 N ASN A 653 14.980 -24.961 9.373 1.00 29.92 N +ATOM 5075 CA ASN A 653 13.733 -25.423 8.777 1.00 29.92 C +ATOM 5076 C ASN A 653 12.773 -24.231 8.604 1.00 29.92 C +ATOM 5077 CB ASN A 653 13.156 -26.535 9.672 1.00 29.92 C +ATOM 5078 O ASN A 653 11.996 -23.919 9.507 1.00 29.92 O +ATOM 5079 CG ASN A 653 11.938 -27.198 9.055 1.00 29.92 C +ATOM 5080 ND2 ASN A 653 10.962 -27.575 9.846 1.00 29.92 N +ATOM 5081 OD1 ASN A 653 11.859 -27.423 7.863 1.00 29.92 O +ATOM 5082 N SER A 654 12.857 -23.545 7.461 1.00 38.16 N +ATOM 5083 CA SER A 654 11.939 -22.464 7.102 1.00 38.16 C +ATOM 5084 C SER A 654 10.561 -23.042 6.780 1.00 38.16 C +ATOM 5085 CB SER A 654 12.483 -21.635 5.933 1.00 38.16 C +ATOM 5086 O SER A 654 10.241 -23.340 5.630 1.00 38.16 O +ATOM 5087 OG SER A 654 11.671 -20.490 5.762 1.00 38.16 O +ATOM 5088 N GLN A 655 9.731 -23.203 7.812 1.00 34.12 N +ATOM 5089 CA GLN A 655 8.287 -23.278 7.626 1.00 34.12 C +ATOM 5090 C GLN A 655 7.794 -21.888 7.222 1.00 34.12 C +ATOM 5091 CB GLN A 655 7.583 -23.818 8.883 1.00 34.12 C +ATOM 5092 O GLN A 655 7.398 -21.081 8.063 1.00 34.12 O +ATOM 5093 CG GLN A 655 7.762 -25.338 9.000 1.00 34.12 C +ATOM 5094 CD GLN A 655 6.945 -25.954 10.134 1.00 34.12 C +ATOM 5095 NE2 GLN A 655 6.512 -27.187 9.992 1.00 34.12 N +ATOM 5096 OE1 GLN A 655 6.694 -25.374 11.176 1.00 34.12 O +ATOM 5097 N GLY A 656 7.844 -21.616 5.916 1.00 37.34 N +ATOM 5098 CA GLY A 656 7.063 -20.543 5.320 1.00 37.34 C +ATOM 5099 C GLY A 656 5.599 -20.765 5.681 1.00 37.34 C +ATOM 5100 O GLY A 656 5.040 -21.826 5.409 1.00 37.34 O +ATOM 5101 N VAL A 657 4.998 -19.794 6.364 1.00 37.50 N +ATOM 5102 CA VAL A 657 3.569 -19.840 6.667 1.00 37.50 C +ATOM 5103 C VAL A 657 2.843 -19.407 5.400 1.00 37.50 C +ATOM 5104 CB VAL A 657 3.205 -18.983 7.895 1.00 37.50 C +ATOM 5105 O VAL A 657 2.749 -18.213 5.115 1.00 37.50 O +ATOM 5106 CG1 VAL A 657 1.721 -19.149 8.249 1.00 37.50 C +ATOM 5107 CG2 VAL A 657 4.021 -19.394 9.131 1.00 37.50 C +ATOM 5108 N ASP A 658 2.365 -20.379 4.625 1.00 35.06 N +ATOM 5109 CA ASP A 658 1.516 -20.133 3.461 1.00 35.06 C +ATOM 5110 C ASP A 658 0.166 -19.560 3.920 1.00 35.06 C +ATOM 5111 CB ASP A 658 1.342 -21.414 2.623 1.00 35.06 C +ATOM 5112 O ASP A 658 -0.780 -20.279 4.239 1.00 35.06 O +ATOM 5113 CG ASP A 658 2.576 -21.759 1.782 1.00 35.06 C +ATOM 5114 OD1 ASP A 658 3.199 -20.812 1.250 1.00 35.06 O +ATOM 5115 OD2 ASP A 658 2.879 -22.969 1.680 1.00 35.06 O +ATOM 5116 N TRP A 659 0.078 -18.229 3.961 1.00 40.28 N +ATOM 5117 CA TRP A 659 -1.154 -17.493 4.275 1.00 40.28 C +ATOM 5118 C TRP A 659 -2.195 -17.525 3.141 1.00 40.28 C +ATOM 5119 CB TRP A 659 -0.799 -16.058 4.687 1.00 40.28 C +ATOM 5120 O TRP A 659 -3.308 -17.031 3.318 1.00 40.28 O +ATOM 5121 CG TRP A 659 -0.207 -15.934 6.058 1.00 40.28 C +ATOM 5122 CD1 TRP A 659 1.110 -15.912 6.358 1.00 40.28 C +ATOM 5123 CD2 TRP A 659 -0.906 -15.811 7.336 1.00 40.28 C +ATOM 5124 CE2 TRP A 659 0.065 -15.730 8.378 1.00 40.28 C +ATOM 5125 CE3 TRP A 659 -2.264 -15.750 7.717 1.00 40.28 C +ATOM 5126 NE1 TRP A 659 1.276 -15.796 7.724 1.00 40.28 N +ATOM 5127 CH2 TRP A 659 -1.651 -15.528 10.074 1.00 40.28 C +ATOM 5128 CZ2 TRP A 659 -0.290 -15.596 9.729 1.00 40.28 C +ATOM 5129 CZ3 TRP A 659 -2.634 -15.606 9.070 1.00 40.28 C +ATOM 5130 N TRP A 660 -1.853 -18.124 1.997 1.00 36.84 N +ATOM 5131 CA TRP A 660 -2.739 -18.344 0.857 1.00 36.84 C +ATOM 5132 C TRP A 660 -2.653 -19.812 0.438 1.00 36.84 C +ATOM 5133 CB TRP A 660 -2.352 -17.397 -0.288 1.00 36.84 C +ATOM 5134 O TRP A 660 -1.627 -20.255 -0.068 1.00 36.84 O +ATOM 5135 CG TRP A 660 -2.453 -15.942 0.058 1.00 36.84 C +ATOM 5136 CD1 TRP A 660 -1.420 -15.147 0.416 1.00 36.84 C +ATOM 5137 CD2 TRP A 660 -3.652 -15.117 0.174 1.00 36.84 C +ATOM 5138 CE2 TRP A 660 -3.263 -13.815 0.612 1.00 36.84 C +ATOM 5139 CE3 TRP A 660 -5.033 -15.342 -0.023 1.00 36.84 C +ATOM 5140 NE1 TRP A 660 -1.892 -13.890 0.743 1.00 36.84 N +ATOM 5141 CH2 TRP A 660 -5.559 -13.046 0.629 1.00 36.84 C +ATOM 5142 CZ2 TRP A 660 -4.193 -12.788 0.836 1.00 36.84 C +ATOM 5143 CZ3 TRP A 660 -5.976 -14.321 0.203 1.00 36.84 C +ATOM 5144 N GLY A 661 -3.722 -20.574 0.675 1.00 28.77 N +ATOM 5145 CA GLY A 661 -3.805 -21.965 0.234 1.00 28.77 C +ATOM 5146 C GLY A 661 -4.146 -22.067 -1.255 1.00 28.77 C +ATOM 5147 O GLY A 661 -5.221 -21.611 -1.645 1.00 28.77 O +ATOM 5148 N ASN A 662 -3.270 -22.752 -2.006 1.00 30.59 N +ATOM 5149 CA ASN A 662 -3.269 -23.006 -3.464 1.00 30.59 C +ATOM 5150 C ASN A 662 -2.924 -21.820 -4.388 1.00 30.59 C +ATOM 5151 CB ASN A 662 -4.539 -23.762 -3.911 1.00 30.59 C +ATOM 5152 O ASN A 662 -3.673 -20.820 -4.423 1.00 30.59 O +ATOM 5153 CG ASN A 662 -4.680 -25.187 -3.404 1.00 30.59 C +ATOM 5154 ND2 ASN A 662 -5.847 -25.762 -3.575 1.00 30.59 N +ATOM 5155 OD1 ASN A 662 -3.781 -25.833 -2.891 1.00 30.59 O +ATOM 5156 OXT ASN A 662 -1.943 -21.996 -5.144 1.00 30.59 O +TER 5157 ASN A 662 +ENDMDL +END \ No newline at end of file diff --git a/notebooks/af_cache/P02545.pdb b/notebooks/af_cache/P02545.pdb new file mode 100644 index 0000000..c56b2c3 --- /dev/null +++ b/notebooks/af_cache/P02545.pdb @@ -0,0 +1,5299 @@ +HEADER 01-AUG-25 +TITLE ALPHAFOLD MONOMER V2.0 PREDICTION FOR PRELAMIN-A/C (P02545) +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PRELAMIN-A/C; +COMPND 3 CHAIN: A +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_TAXID: 9606 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH JOHN JUMPER, RICHARD EVANS, ALEXANDER PRITZEL, TIM GREEN, +REMARK 1 AUTH 2 MICHAEL FIGURNOV, OLAF RONNEBERGER, KATHRYN TUNYASUVUNAKOOL, +REMARK 1 AUTH 3 RUSS BATES, AUGUSTIN ZIDEK, ANNA POTAPENKO, ALEX BRIDGLAND, +REMARK 1 AUTH 4 CLEMENS MEYER, SIMON A A KOHL, ANDREW J BALLARD, +REMARK 1 AUTH 5 ANDREW COWIE, BERNARDINO ROMERA-PAREDES, STANISLAV NIKOLOV, +REMARK 1 AUTH 6 RISHUB JAIN, JONAS ADLER, TREVOR BACK, STIG PETERSEN, +REMARK 1 AUTH 7 DAVID REIMAN, ELLEN CLANCY, MICHAL ZIELINSKI, +REMARK 1 AUTH 8 MARTIN STEINEGGER, MICHALINA PACHOLSKA, TAMAS BERGHAMMER, +REMARK 1 AUTH 9 DAVID SILVER, ORIOL VINYALS, ANDREW W SENIOR, +REMARK 1 AUTH10 KORAY KAVUKCUOGLU, PUSHMEET KOHLI, DEMIS HASSABIS +REMARK 1 TITL HIGHLY ACCURATE PROTEIN STRUCTURE PREDICTION WITH ALPHAFOLD +REMARK 1 REF NATURE V. 596 583 2021 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 PMID 34265844 +REMARK 1 DOI 10.1038/s41586-021-03819-2 +REMARK 1 +REMARK 1 DISCLAIMERS +REMARK 1 ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE +REMARK 1 INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD +REMARK 1 BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY +REMARK 1 OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +REMARK 1 USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD +REMARK 1 PARTY. THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR +REMARK 1 PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT +REMARK 1 CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +REMARK 1 ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +DBREF XXXX A 1 664 UNP P02545 LMNA_HUMAN 1 664 +SEQRES 1 A 664 MET GLU THR PRO SER GLN ARG ARG ALA THR ARG SER GLY +SEQRES 2 A 664 ALA GLN ALA SER SER THR PRO LEU SER PRO THR ARG ILE +SEQRES 3 A 664 THR ARG LEU GLN GLU LYS GLU ASP LEU GLN GLU LEU ASN +SEQRES 4 A 664 ASP ARG LEU ALA VAL TYR ILE ASP ARG VAL ARG SER LEU +SEQRES 5 A 664 GLU THR GLU ASN ALA GLY LEU ARG LEU ARG ILE THR GLU +SEQRES 6 A 664 SER GLU GLU VAL VAL SER ARG GLU VAL SER GLY ILE LYS +SEQRES 7 A 664 ALA ALA TYR GLU ALA GLU LEU GLY ASP ALA ARG LYS THR +SEQRES 8 A 664 LEU ASP SER VAL ALA LYS GLU ARG ALA ARG LEU GLN LEU +SEQRES 9 A 664 GLU LEU SER LYS VAL ARG GLU GLU PHE LYS GLU LEU LYS +SEQRES 10 A 664 ALA ARG ASN THR LYS LYS GLU GLY ASP LEU ILE ALA ALA +SEQRES 11 A 664 GLN ALA ARG LEU LYS ASP LEU GLU ALA LEU LEU ASN SER +SEQRES 12 A 664 LYS GLU ALA ALA LEU SER THR ALA LEU SER GLU LYS ARG +SEQRES 13 A 664 THR LEU GLU GLY GLU LEU HIS ASP LEU ARG GLY GLN VAL +SEQRES 14 A 664 ALA LYS LEU GLU ALA ALA LEU GLY GLU ALA LYS LYS GLN +SEQRES 15 A 664 LEU GLN ASP GLU MET LEU ARG ARG VAL ASP ALA GLU ASN +SEQRES 16 A 664 ARG LEU GLN THR MET LYS GLU GLU LEU ASP PHE GLN LYS +SEQRES 17 A 664 ASN ILE TYR SER GLU GLU LEU ARG GLU THR LYS ARG ARG +SEQRES 18 A 664 HIS GLU THR ARG LEU VAL GLU ILE ASP ASN GLY LYS GLN +SEQRES 19 A 664 ARG GLU PHE GLU SER ARG LEU ALA ASP ALA LEU GLN GLU +SEQRES 20 A 664 LEU ARG ALA GLN HIS GLU ASP GLN VAL GLU GLN TYR LYS +SEQRES 21 A 664 LYS GLU LEU GLU LYS THR TYR SER ALA LYS LEU ASP ASN +SEQRES 22 A 664 ALA ARG GLN SER ALA GLU ARG ASN SER ASN LEU VAL GLY +SEQRES 23 A 664 ALA ALA HIS GLU GLU LEU GLN GLN SER ARG ILE ARG ILE +SEQRES 24 A 664 ASP SER LEU SER ALA GLN LEU SER GLN LEU GLN LYS GLN +SEQRES 25 A 664 LEU ALA ALA LYS GLU ALA LYS LEU ARG ASP LEU GLU ASP +SEQRES 26 A 664 SER LEU ALA ARG GLU ARG ASP THR SER ARG ARG LEU LEU +SEQRES 27 A 664 ALA GLU LYS GLU ARG GLU MET ALA GLU MET ARG ALA ARG +SEQRES 28 A 664 MET GLN GLN GLN LEU ASP GLU TYR GLN GLU LEU LEU ASP +SEQRES 29 A 664 ILE LYS LEU ALA LEU ASP MET GLU ILE HIS ALA TYR ARG +SEQRES 30 A 664 LYS LEU LEU GLU GLY GLU GLU GLU ARG LEU ARG LEU SER +SEQRES 31 A 664 PRO SER PRO THR SER GLN ARG SER ARG GLY ARG ALA SER +SEQRES 32 A 664 SER HIS SER SER GLN THR GLN GLY GLY GLY SER VAL THR +SEQRES 33 A 664 LYS LYS ARG LYS LEU GLU SER THR GLU SER ARG SER SER +SEQRES 34 A 664 PHE SER GLN HIS ALA ARG THR SER GLY ARG VAL ALA VAL +SEQRES 35 A 664 GLU GLU VAL ASP GLU GLU GLY LYS PHE VAL ARG LEU ARG +SEQRES 36 A 664 ASN LYS SER ASN GLU ASP GLN SER MET GLY ASN TRP GLN +SEQRES 37 A 664 ILE LYS ARG GLN ASN GLY ASP ASP PRO LEU LEU THR TYR +SEQRES 38 A 664 ARG PHE PRO PRO LYS PHE THR LEU LYS ALA GLY GLN VAL +SEQRES 39 A 664 VAL THR ILE TRP ALA ALA GLY ALA GLY ALA THR HIS SER +SEQRES 40 A 664 PRO PRO THR ASP LEU VAL TRP LYS ALA GLN ASN THR TRP +SEQRES 41 A 664 GLY CYS GLY ASN SER LEU ARG THR ALA LEU ILE ASN SER +SEQRES 42 A 664 THR GLY GLU GLU VAL ALA MET ARG LYS LEU VAL ARG SER +SEQRES 43 A 664 VAL THR VAL VAL GLU ASP ASP GLU ASP GLU ASP GLY ASP +SEQRES 44 A 664 ASP LEU LEU HIS HIS HIS HIS GLY SER HIS CYS SER SER +SEQRES 45 A 664 SER GLY ASP PRO ALA GLU TYR ASN LEU ARG SER ARG THR +SEQRES 46 A 664 VAL LEU CYS GLY THR CYS GLY GLN PRO ALA ASP LYS ALA +SEQRES 47 A 664 SER ALA SER GLY SER GLY ALA GLN VAL GLY GLY PRO ILE +SEQRES 48 A 664 SER SER GLY SER SER ALA SER SER VAL THR VAL THR ARG +SEQRES 49 A 664 SER TYR ARG SER VAL GLY GLY SER GLY GLY GLY SER PHE +SEQRES 50 A 664 GLY ASP ASN LEU VAL THR ARG SER TYR LEU LEU GLY ASN +SEQRES 51 A 664 SER SER PRO ARG THR GLN SER PRO GLN ASN CYS SER ILE +SEQRES 52 A 664 MET +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +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 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N MET A 1 109.855 40.748 -66.463 1.00 35.53 N +ATOM 2 CA MET A 1 111.075 41.376 -67.015 1.00 35.53 C +ATOM 3 C MET A 1 110.710 41.946 -68.369 1.00 35.53 C +ATOM 4 CB MET A 1 112.196 40.339 -67.237 1.00 35.53 C +ATOM 5 O MET A 1 110.084 41.200 -69.099 1.00 35.53 O +ATOM 6 CG MET A 1 113.175 40.207 -66.070 1.00 35.53 C +ATOM 7 SD MET A 1 114.556 39.111 -66.489 1.00 35.53 S +ATOM 8 CE MET A 1 115.727 39.493 -65.160 1.00 35.53 C +ATOM 9 N GLU A 2 111.073 43.197 -68.673 1.00 32.38 N +ATOM 10 CA GLU A 2 111.724 43.572 -69.947 1.00 32.38 C +ATOM 11 C GLU A 2 112.082 45.077 -69.995 1.00 32.38 C +ATOM 12 CB GLU A 2 110.955 43.130 -71.212 1.00 32.38 C +ATOM 13 O GLU A 2 111.244 45.969 -70.058 1.00 32.38 O +ATOM 14 CG GLU A 2 111.631 41.864 -71.786 1.00 32.38 C +ATOM 15 CD GLU A 2 110.928 41.259 -73.008 1.00 32.38 C +ATOM 16 OE1 GLU A 2 111.544 40.346 -73.605 1.00 32.38 O +ATOM 17 OE2 GLU A 2 109.801 41.695 -73.330 1.00 32.38 O +ATOM 18 N THR A 3 113.387 45.326 -69.900 1.00 32.38 N +ATOM 19 CA THR A 3 114.216 46.276 -70.675 1.00 32.38 C +ATOM 20 C THR A 3 114.085 46.046 -72.204 1.00 32.38 C +ATOM 21 CB THR A 3 115.660 45.883 -70.284 1.00 32.38 C +ATOM 22 O THR A 3 113.532 45.011 -72.560 1.00 32.38 O +ATOM 23 CG2 THR A 3 116.054 46.365 -68.888 1.00 32.38 C +ATOM 24 OG1 THR A 3 115.830 44.475 -70.302 1.00 32.38 O +ATOM 25 N PRO A 4 114.776 46.759 -73.133 1.00 49.31 N +ATOM 26 CA PRO A 4 115.307 48.136 -73.179 1.00 49.31 C +ATOM 27 C PRO A 4 115.146 48.858 -74.562 1.00 49.31 C +ATOM 28 CB PRO A 4 116.813 47.925 -72.965 1.00 49.31 C +ATOM 29 O PRO A 4 114.828 48.263 -75.581 1.00 49.31 O +ATOM 30 CG PRO A 4 117.094 46.574 -73.643 1.00 49.31 C +ATOM 31 CD PRO A 4 115.717 45.960 -73.912 1.00 49.31 C +ATOM 32 N SER A 5 115.560 50.134 -74.584 1.00 28.53 N +ATOM 33 CA SER A 5 116.409 50.800 -75.603 1.00 28.53 C +ATOM 34 C SER A 5 116.010 50.987 -77.083 1.00 28.53 C +ATOM 35 CB SER A 5 117.833 50.229 -75.573 1.00 28.53 C +ATOM 36 O SER A 5 115.900 50.062 -77.873 1.00 28.53 O +ATOM 37 OG SER A 5 118.563 50.829 -74.519 1.00 28.53 O +ATOM 38 N GLN A 6 116.137 52.267 -77.469 1.00 31.92 N +ATOM 39 CA GLN A 6 116.877 52.790 -78.634 1.00 31.92 C +ATOM 40 C GLN A 6 116.389 52.467 -80.063 1.00 31.92 C +ATOM 41 CB GLN A 6 118.385 52.481 -78.508 1.00 31.92 C +ATOM 42 O GLN A 6 116.707 51.443 -80.658 1.00 31.92 O +ATOM 43 CG GLN A 6 119.091 53.175 -77.328 1.00 31.92 C +ATOM 44 CD GLN A 6 120.570 52.797 -77.217 1.00 31.92 C +ATOM 45 NE2 GLN A 6 121.328 53.457 -76.370 1.00 31.92 N +ATOM 46 OE1 GLN A 6 121.083 51.918 -77.886 1.00 31.92 O +ATOM 47 N ARG A 7 115.831 53.496 -80.712 1.00 34.38 N +ATOM 48 CA ARG A 7 115.932 53.768 -82.163 1.00 34.38 C +ATOM 49 C ARG A 7 116.356 55.237 -82.285 1.00 34.38 C +ATOM 50 CB ARG A 7 114.560 53.531 -82.827 1.00 34.38 C +ATOM 51 O ARG A 7 115.589 56.107 -81.905 1.00 34.38 O +ATOM 52 CG ARG A 7 114.212 52.050 -83.053 1.00 34.38 C +ATOM 53 CD ARG A 7 112.838 51.936 -83.735 1.00 34.38 C +ATOM 54 NE ARG A 7 112.541 50.558 -84.177 1.00 34.38 N +ATOM 55 NH1 ARG A 7 110.643 51.030 -85.394 1.00 34.38 N +ATOM 56 NH2 ARG A 7 111.404 48.940 -85.322 1.00 34.38 N +ATOM 57 CZ ARG A 7 111.536 50.185 -84.958 1.00 34.38 C +ATOM 58 N ARG A 8 117.624 55.617 -82.479 1.00 29.62 N +ATOM 59 CA ARG A 8 118.542 55.532 -83.638 1.00 29.62 C +ATOM 60 C ARG A 8 117.986 56.069 -84.967 1.00 29.62 C +ATOM 61 CB ARG A 8 119.317 54.205 -83.770 1.00 29.62 C +ATOM 62 O ARG A 8 117.436 55.331 -85.769 1.00 29.62 O +ATOM 63 CG ARG A 8 120.642 54.464 -84.528 1.00 29.62 C +ATOM 64 CD ARG A 8 121.560 53.236 -84.579 1.00 29.62 C +ATOM 65 NE ARG A 8 122.919 53.589 -85.052 1.00 29.62 N +ATOM 66 NH1 ARG A 8 123.697 51.448 -85.352 1.00 29.62 N +ATOM 67 NH2 ARG A 8 125.069 53.169 -85.699 1.00 29.62 N +ATOM 68 CZ ARG A 8 123.883 52.738 -85.367 1.00 29.62 C +ATOM 69 N ALA A 9 118.238 57.366 -85.158 1.00 31.08 N +ATOM 70 CA ALA A 9 118.825 58.023 -86.330 1.00 31.08 C +ATOM 71 C ALA A 9 118.624 57.377 -87.714 1.00 31.08 C +ATOM 72 CB ALA A 9 120.321 58.228 -86.037 1.00 31.08 C +ATOM 73 O ALA A 9 119.337 56.450 -88.102 1.00 31.08 O +ATOM 74 N THR A 10 117.764 58.003 -88.513 1.00 34.25 N +ATOM 75 CA THR A 10 117.696 57.858 -89.968 1.00 34.25 C +ATOM 76 C THR A 10 118.717 58.786 -90.638 1.00 34.25 C +ATOM 77 CB THR A 10 116.267 58.154 -90.454 1.00 34.25 C +ATOM 78 O THR A 10 118.543 60.002 -90.678 1.00 34.25 O +ATOM 79 CG2 THR A 10 115.314 57.022 -90.068 1.00 34.25 C +ATOM 80 OG1 THR A 10 115.787 59.333 -89.845 1.00 34.25 O +ATOM 81 N ARG A 11 119.801 58.193 -91.161 1.00 27.20 N +ATOM 82 CA ARG A 11 120.650 58.743 -92.232 1.00 27.20 C +ATOM 83 C ARG A 11 120.047 58.321 -93.573 1.00 27.20 C +ATOM 84 CB ARG A 11 122.098 58.196 -92.141 1.00 27.20 C +ATOM 85 O ARG A 11 119.920 57.130 -93.832 1.00 27.20 O +ATOM 86 CG ARG A 11 123.059 59.061 -91.314 1.00 27.20 C +ATOM 87 CD ARG A 11 124.418 58.377 -91.055 1.00 27.20 C +ATOM 88 NE ARG A 11 125.362 58.419 -92.198 1.00 27.20 N +ATOM 89 NH1 ARG A 11 127.042 57.179 -91.229 1.00 27.20 N +ATOM 90 NH2 ARG A 11 127.374 58.072 -93.239 1.00 27.20 N +ATOM 91 CZ ARG A 11 126.580 57.892 -92.220 1.00 27.20 C +ATOM 92 N SER A 12 119.778 59.289 -94.434 1.00 33.69 N +ATOM 93 CA SER A 12 119.480 59.143 -95.865 1.00 33.69 C +ATOM 94 C SER A 12 119.898 60.460 -96.517 1.00 33.69 C +ATOM 95 CB SER A 12 117.975 58.919 -96.087 1.00 33.69 C +ATOM 96 O SER A 12 119.585 61.512 -95.979 1.00 33.69 O +ATOM 97 OG SER A 12 117.211 59.910 -95.422 1.00 33.69 O +ATOM 98 N GLY A 13 120.616 60.544 -97.622 1.00 32.62 N +ATOM 99 CA GLY A 13 121.188 59.565 -98.525 1.00 32.62 C +ATOM 100 C GLY A 13 121.939 60.405 -99.559 1.00 32.62 C +ATOM 101 O GLY A 13 121.383 61.360-100.094 1.00 32.62 O +ATOM 102 N ALA A 14 123.220 60.112 -99.764 1.00 30.41 N +ATOM 103 CA ALA A 14 124.022 60.744-100.800 1.00 30.41 C +ATOM 104 C ALA A 14 123.689 60.090-102.150 1.00 30.41 C +ATOM 105 CB ALA A 14 125.503 60.626-100.419 1.00 30.41 C +ATOM 106 O ALA A 14 123.860 58.882-102.315 1.00 30.41 O +ATOM 107 N GLN A 15 123.192 60.905-103.081 1.00 29.52 N +ATOM 108 CA GLN A 15 123.073 60.622-104.514 1.00 29.52 C +ATOM 109 C GLN A 15 124.492 60.613-105.117 1.00 29.52 C +ATOM 110 CB GLN A 15 122.196 61.724-105.134 1.00 29.52 C +ATOM 111 O GLN A 15 125.293 61.483-104.795 1.00 29.52 O +ATOM 112 CG GLN A 15 120.707 61.577-104.760 1.00 29.52 C +ATOM 113 CD GLN A 15 119.876 62.816-105.095 1.00 29.52 C +ATOM 114 NE2 GLN A 15 118.588 62.678-105.318 1.00 29.52 N +ATOM 115 OE1 GLN A 15 120.353 63.935-105.131 1.00 29.52 O +ATOM 116 N ALA A 16 124.954 59.577-105.819 1.00 28.78 N +ATOM 117 CA ALA A 16 124.456 58.969-107.058 1.00 28.78 C +ATOM 118 C ALA A 16 124.837 59.770-108.317 1.00 28.78 C +ATOM 119 CB ALA A 16 122.976 58.562-107.015 1.00 28.78 C +ATOM 120 O ALA A 16 124.125 60.671-108.741 1.00 28.78 O +ATOM 121 N SER A 17 125.943 59.361-108.936 1.00 30.08 N +ATOM 122 CA SER A 17 126.258 59.471-110.367 1.00 30.08 C +ATOM 123 C SER A 17 127.498 58.592-110.604 1.00 30.08 C +ATOM 124 CB SER A 17 126.544 60.925-110.782 1.00 30.08 C +ATOM 125 O SER A 17 128.370 58.508-109.749 1.00 30.08 O +ATOM 126 OG SER A 17 127.619 61.479-110.051 1.00 30.08 O +ATOM 127 N SER A 18 127.685 57.832-111.669 1.00 30.72 N +ATOM 128 CA SER A 18 126.854 57.403-112.788 1.00 30.72 C +ATOM 129 C SER A 18 127.674 56.304-113.474 1.00 30.72 C +ATOM 130 CB SER A 18 126.588 58.543-113.780 1.00 30.72 C +ATOM 131 O SER A 18 128.861 56.476-113.739 1.00 30.72 O +ATOM 132 OG SER A 18 127.743 59.333-113.962 1.00 30.72 O +ATOM 133 N THR A 19 127.046 55.160-113.705 1.00 29.66 N +ATOM 134 CA THR A 19 127.540 53.993-114.455 1.00 29.66 C +ATOM 135 C THR A 19 127.582 54.239-115.971 1.00 29.66 C +ATOM 136 CB THR A 19 126.585 52.824-114.163 1.00 29.66 C +ATOM 137 O THR A 19 126.865 55.111-116.459 1.00 29.66 O +ATOM 138 CG2 THR A 19 126.873 52.190-112.803 1.00 29.66 C +ATOM 139 OG1 THR A 19 125.244 53.280-114.114 1.00 29.66 O +ATOM 140 N PRO A 20 128.306 53.392-116.728 1.00 38.62 N +ATOM 141 CA PRO A 20 127.583 52.399-117.537 1.00 38.62 C +ATOM 142 C PRO A 20 128.154 50.975-117.348 1.00 38.62 C +ATOM 143 CB PRO A 20 127.670 52.918-118.973 1.00 38.62 C +ATOM 144 O PRO A 20 129.360 50.775-117.323 1.00 38.62 O +ATOM 145 CG PRO A 20 129.039 53.588-119.032 1.00 38.62 C +ATOM 146 CD PRO A 20 129.374 53.924-117.576 1.00 38.62 C +ATOM 147 N LEU A 21 127.329 50.015-116.916 1.00 32.00 N +ATOM 148 CA LEU A 21 126.548 49.036-117.704 1.00 32.00 C +ATOM 149 C LEU A 21 127.294 47.701-117.916 1.00 32.00 C +ATOM 150 CB LEU A 21 125.979 49.582-119.036 1.00 32.00 C +ATOM 151 O LEU A 21 128.107 47.563-118.824 1.00 32.00 O +ATOM 152 CG LEU A 21 124.816 50.589-118.949 1.00 32.00 C +ATOM 153 CD1 LEU A 21 124.478 51.105-120.347 1.00 32.00 C +ATOM 154 CD2 LEU A 21 123.553 49.982-118.338 1.00 32.00 C +ATOM 155 N SER A 22 126.923 46.683-117.123 1.00 36.91 N +ATOM 156 CA SER A 22 126.962 45.279-117.555 1.00 36.91 C +ATOM 157 C SER A 22 125.714 44.503-117.063 1.00 36.91 C +ATOM 158 CB SER A 22 128.277 44.575-117.190 1.00 36.91 C +ATOM 159 O SER A 22 125.216 44.776-115.963 1.00 36.91 O +ATOM 160 OG SER A 22 128.327 44.221-115.823 1.00 36.91 O +ATOM 161 N PRO A 23 125.146 43.575-117.866 1.00 50.75 N +ATOM 162 CA PRO A 23 123.729 43.173-117.789 1.00 50.75 C +ATOM 163 C PRO A 23 123.347 42.128-116.725 1.00 50.75 C +ATOM 164 CB PRO A 23 123.338 42.705-119.202 1.00 50.75 C +ATOM 165 O PRO A 23 122.213 41.669-116.706 1.00 50.75 O +ATOM 166 CG PRO A 23 124.444 43.255-120.095 1.00 50.75 C +ATOM 167 CD PRO A 23 125.642 43.145-119.167 1.00 50.75 C +ATOM 168 N THR A 24 124.232 41.758-115.798 1.00 52.09 N +ATOM 169 CA THR A 24 123.908 40.794-114.719 1.00 52.09 C +ATOM 170 C THR A 24 123.234 41.458-113.506 1.00 52.09 C +ATOM 171 CB THR A 24 125.170 40.031-114.275 1.00 52.09 C +ATOM 172 O THR A 24 122.748 40.781-112.603 1.00 52.09 O +ATOM 173 CG2 THR A 24 124.874 38.629-113.745 1.00 52.09 C +ATOM 174 OG1 THR A 24 126.066 39.868-115.352 1.00 52.09 O +ATOM 175 N ARG A 25 123.217 42.799-113.445 1.00 55.78 N +ATOM 176 CA ARG A 25 122.740 43.556-112.274 1.00 55.78 C +ATOM 177 C ARG A 25 121.238 43.864-112.296 1.00 55.78 C +ATOM 178 CB ARG A 25 123.598 44.824-112.124 1.00 55.78 C +ATOM 179 O ARG A 25 120.656 43.977-111.225 1.00 55.78 O +ATOM 180 CG ARG A 25 123.490 45.453-110.726 1.00 55.78 C +ATOM 181 CD ARG A 25 124.402 46.681-110.629 1.00 55.78 C +ATOM 182 NE ARG A 25 124.391 47.262-109.272 1.00 55.78 N +ATOM 183 NH1 ARG A 25 125.470 49.226-109.780 1.00 55.78 N +ATOM 184 NH2 ARG A 25 124.845 48.827-107.678 1.00 55.78 N +ATOM 185 CZ ARG A 25 124.900 48.430-108.918 1.00 55.78 C +ATOM 186 N ILE A 26 120.627 43.988-113.478 1.00 57.88 N +ATOM 187 CA ILE A 26 119.212 44.385-113.628 1.00 57.88 C +ATOM 188 C ILE A 26 118.286 43.274-113.113 1.00 57.88 C +ATOM 189 CB ILE A 26 118.913 44.818-115.086 1.00 57.88 C +ATOM 190 O ILE A 26 117.426 43.549-112.285 1.00 57.88 O +ATOM 191 CG1 ILE A 26 119.730 46.093-115.423 1.00 57.88 C +ATOM 192 CG2 ILE A 26 117.410 45.076-115.297 1.00 57.88 C +ATOM 193 CD1 ILE A 26 119.694 46.504-116.900 1.00 57.88 C +ATOM 194 N THR A 27 118.550 42.013-113.471 1.00 67.94 N +ATOM 195 CA THR A 27 117.785 40.853-112.978 1.00 67.94 C +ATOM 196 C THR A 27 117.864 40.722-111.453 1.00 67.94 C +ATOM 197 CB THR A 27 118.291 39.560-113.641 1.00 67.94 C +ATOM 198 O THR A 27 116.851 40.529-110.796 1.00 67.94 O +ATOM 199 CG2 THR A 27 117.252 38.446-113.626 1.00 67.94 C +ATOM 200 OG1 THR A 27 118.618 39.802-114.994 1.00 67.94 O +ATOM 201 N ARG A 28 119.046 40.958-110.864 1.00 67.38 N +ATOM 202 CA ARG A 28 119.242 40.894-109.404 1.00 67.38 C +ATOM 203 C ARG A 28 118.596 42.047-108.630 1.00 67.38 C +ATOM 204 CB ARG A 28 120.737 40.842-109.068 1.00 67.38 C +ATOM 205 O ARG A 28 118.358 41.899-107.437 1.00 67.38 O +ATOM 206 CG ARG A 28 121.402 39.531-109.496 1.00 67.38 C +ATOM 207 CD ARG A 28 122.839 39.519-108.965 1.00 67.38 C +ATOM 208 NE ARG A 28 123.575 38.326-109.412 1.00 67.38 N +ATOM 209 NH1 ARG A 28 125.625 38.906-108.559 1.00 67.38 N +ATOM 210 NH2 ARG A 28 125.405 37.007-109.713 1.00 67.38 N +ATOM 211 CZ ARG A 28 124.860 38.086-109.228 1.00 67.38 C +ATOM 212 N LEU A 29 118.392 43.214-109.250 1.00 72.69 N +ATOM 213 CA LEU A 29 117.722 44.348-108.598 1.00 72.69 C +ATOM 214 C LEU A 29 116.207 44.151-108.570 1.00 72.69 C +ATOM 215 CB LEU A 29 118.094 45.674-109.287 1.00 72.69 C +ATOM 216 O LEU A 29 115.597 44.409-107.540 1.00 72.69 O +ATOM 217 CG LEU A 29 119.465 46.235-108.874 1.00 72.69 C +ATOM 218 CD1 LEU A 29 119.828 47.429-109.761 1.00 72.69 C +ATOM 219 CD2 LEU A 29 119.495 46.714-107.417 1.00 72.69 C +ATOM 220 N GLN A 30 115.641 43.629-109.656 1.00 74.62 N +ATOM 221 CA GLN A 30 114.212 43.346-109.751 1.00 74.62 C +ATOM 222 C GLN A 30 113.812 42.175-108.837 1.00 74.62 C +ATOM 223 CB GLN A 30 113.894 43.135-111.237 1.00 74.62 C +ATOM 224 O GLN A 30 112.901 42.318-108.031 1.00 74.62 O +ATOM 225 CG GLN A 30 112.439 43.473-111.580 1.00 74.62 C +ATOM 226 CD GLN A 30 112.240 43.817-113.056 1.00 74.62 C +ATOM 227 NE2 GLN A 30 111.007 43.967-113.482 1.00 74.62 N +ATOM 228 OE1 GLN A 30 113.159 43.980-113.850 1.00 74.62 O +ATOM 229 N GLU A 31 114.602 41.091-108.813 1.00 77.12 N +ATOM 230 CA GLU A 31 114.448 40.002-107.828 1.00 77.12 C +ATOM 231 C GLU A 31 114.550 40.500-106.375 1.00 77.12 C +ATOM 232 CB GLU A 31 115.556 38.954-108.043 1.00 77.12 C +ATOM 233 O GLU A 31 113.911 39.952-105.479 1.00 77.12 O +ATOM 234 CG GLU A 31 115.352 38.060-109.278 1.00 77.12 C +ATOM 235 CD GLU A 31 116.586 37.193-109.607 1.00 77.12 C +ATOM 236 OE1 GLU A 31 116.523 36.449-110.612 1.00 77.12 O +ATOM 237 OE2 GLU A 31 117.623 37.296-108.902 1.00 77.12 O +ATOM 238 N LYS A 32 115.354 41.542-106.119 1.00 82.31 N +ATOM 239 CA LYS A 32 115.492 42.130-104.782 1.00 82.31 C +ATOM 240 C LYS A 32 114.255 42.933-104.381 1.00 82.31 C +ATOM 241 CB LYS A 32 116.773 42.968-104.701 1.00 82.31 C +ATOM 242 O LYS A 32 113.862 42.831-103.225 1.00 82.31 O +ATOM 243 CG LYS A 32 117.018 43.481-103.277 1.00 82.31 C +ATOM 244 CD LYS A 32 118.185 44.463-103.242 1.00 82.31 C +ATOM 245 CE LYS A 32 118.254 45.026-101.823 1.00 82.31 C +ATOM 246 NZ LYS A 32 119.140 46.207-101.756 1.00 82.31 N +ATOM 247 N GLU A 33 113.679 43.724-105.285 1.00 81.06 N +ATOM 248 CA GLU A 33 112.432 44.460-105.026 1.00 81.06 C +ATOM 249 C GLU A 33 111.262 43.497-104.806 1.00 81.06 C +ATOM 250 CB GLU A 33 112.139 45.455-106.163 1.00 81.06 C +ATOM 251 O GLU A 33 110.565 43.632-103.802 1.00 81.06 O +ATOM 252 CG GLU A 33 113.017 46.711-106.030 1.00 81.06 C +ATOM 253 CD GLU A 33 112.832 47.748-107.152 1.00 81.06 C +ATOM 254 OE1 GLU A 33 113.355 48.874-106.963 1.00 81.06 O +ATOM 255 OE2 GLU A 33 112.259 47.416-108.213 1.00 81.06 O +ATOM 256 N ASP A 34 111.135 42.456-105.635 1.00 82.12 N +ATOM 257 CA ASP A 34 110.119 41.411-105.461 1.00 82.12 C +ATOM 258 C ASP A 34 110.286 40.683-104.115 1.00 82.12 C +ATOM 259 CB ASP A 34 110.204 40.392-106.611 1.00 82.12 C +ATOM 260 O ASP A 34 109.319 40.483-103.381 1.00 82.12 O +ATOM 261 CG ASP A 34 109.752 40.912-107.983 1.00 82.12 C +ATOM 262 OD1 ASP A 34 109.077 41.960-108.045 1.00 82.12 O +ATOM 263 OD2 ASP A 34 110.061 40.213-108.977 1.00 82.12 O +ATOM 264 N LEU A 35 111.522 40.331-103.730 1.00 83.31 N +ATOM 265 CA LEU A 35 111.814 39.754-102.411 1.00 83.31 C +ATOM 266 C LEU A 35 111.520 40.728-101.266 1.00 83.31 C +ATOM 267 CB LEU A 35 113.290 39.319-102.336 1.00 83.31 C +ATOM 268 O LEU A 35 111.204 40.286-100.162 1.00 83.31 O +ATOM 269 CG LEU A 35 113.588 37.961-102.990 1.00 83.31 C +ATOM 270 CD1 LEU A 35 115.104 37.769-103.089 1.00 83.31 C +ATOM 271 CD2 LEU A 35 113.027 36.801-102.159 1.00 83.31 C +ATOM 272 N GLN A 36 111.655 42.033-101.488 1.00 84.31 N +ATOM 273 CA GLN A 36 111.385 43.048-100.478 1.00 84.31 C +ATOM 274 C GLN A 36 109.876 43.220-100.275 1.00 84.31 C +ATOM 275 CB GLN A 36 112.125 44.339-100.857 1.00 84.31 C +ATOM 276 O GLN A 36 109.421 43.147 -99.138 1.00 84.31 O +ATOM 277 CG GLN A 36 112.328 45.263 -99.656 1.00 84.31 C +ATOM 278 CD GLN A 36 113.301 46.408 -99.932 1.00 84.31 C +ATOM 279 NE2 GLN A 36 113.509 47.269 -98.962 1.00 84.31 N +ATOM 280 OE1 GLN A 36 113.935 46.558-100.966 1.00 84.31 O +ATOM 281 N GLU A 37 109.092 43.307-101.353 1.00 86.12 N +ATOM 282 CA GLU A 37 107.625 43.324-101.284 1.00 86.12 C +ATOM 283 C GLU A 37 107.076 42.026-100.674 1.00 86.12 C +ATOM 284 CB GLU A 37 107.038 43.544-102.691 1.00 86.12 C +ATOM 285 O GLU A 37 106.182 42.054 -99.820 1.00 86.12 O +ATOM 286 CG GLU A 37 105.519 43.789-102.618 1.00 86.12 C +ATOM 287 CD GLU A 37 104.816 43.932-103.977 1.00 86.12 C +ATOM 288 OE1 GLU A 37 103.558 43.899-103.957 1.00 86.12 O +ATOM 289 OE2 GLU A 37 105.499 44.041-105.013 1.00 86.12 O +ATOM 290 N LEU A 38 107.640 40.876-101.061 1.00 86.62 N +ATOM 291 CA LEU A 38 107.259 39.589-100.492 1.00 86.62 C +ATOM 292 C LEU A 38 107.565 39.541 -98.992 1.00 86.62 C +ATOM 293 CB LEU A 38 107.957 38.444-101.248 1.00 86.62 C +ATOM 294 O LEU A 38 106.719 39.083 -98.232 1.00 86.62 O +ATOM 295 CG LEU A 38 107.202 37.111-101.122 1.00 86.62 C +ATOM 296 CD1 LEU A 38 106.044 37.047-102.125 1.00 86.62 C +ATOM 297 CD2 LEU A 38 108.137 35.935-101.399 1.00 86.62 C +ATOM 298 N ASN A 39 108.725 40.048 -98.558 1.00 88.75 N +ATOM 299 CA ASN A 39 109.088 40.142 -97.142 1.00 88.75 C +ATOM 300 C ASN A 39 108.206 41.124 -96.366 1.00 88.75 C +ATOM 301 CB ASN A 39 110.565 40.536 -96.991 1.00 88.75 C +ATOM 302 O ASN A 39 107.847 40.814 -95.235 1.00 88.75 O +ATOM 303 CG ASN A 39 111.508 39.355 -97.092 1.00 88.75 C +ATOM 304 ND2 ASN A 39 112.594 39.495 -97.808 1.00 88.75 N +ATOM 305 OD1 ASN A 39 111.312 38.301 -96.512 1.00 88.75 O +ATOM 306 N ASP A 40 107.818 42.260 -96.945 1.00 87.19 N +ATOM 307 CA ASP A 40 106.917 43.218 -96.295 1.00 87.19 C +ATOM 308 C ASP A 40 105.515 42.612 -96.119 1.00 87.19 C +ATOM 309 CB ASP A 40 106.863 44.531 -97.096 1.00 87.19 C +ATOM 310 O ASP A 40 104.928 42.687 -95.036 1.00 87.19 O +ATOM 311 CG ASP A 40 108.129 45.396 -96.976 1.00 87.19 C +ATOM 312 OD1 ASP A 40 108.898 45.213 -96.002 1.00 87.19 O +ATOM 313 OD2 ASP A 40 108.293 46.299 -97.826 1.00 87.19 O +ATOM 314 N ARG A 41 105.001 41.903 -97.136 1.00 88.31 N +ATOM 315 CA ARG A 41 103.784 41.084 -96.999 1.00 88.31 C +ATOM 316 C ARG A 41 103.950 39.981 -95.961 1.00 88.31 C +ATOM 317 CB ARG A 41 103.392 40.470 -98.350 1.00 88.31 C +ATOM 318 O ARG A 41 103.025 39.752 -95.182 1.00 88.31 O +ATOM 319 CG ARG A 41 102.427 41.377 -99.115 1.00 88.31 C +ATOM 320 CD ARG A 41 102.078 40.727-100.455 1.00 88.31 C +ATOM 321 NE ARG A 41 100.964 41.425-101.121 1.00 88.31 N +ATOM 322 NH1 ARG A 41 101.237 40.468-103.188 1.00 88.31 N +ATOM 323 NH2 ARG A 41 99.630 41.981-102.881 1.00 88.31 N +ATOM 324 CZ ARG A 41 100.615 41.286-102.387 1.00 88.31 C +ATOM 325 N LEU A 42 105.105 39.315 -95.927 1.00 89.31 N +ATOM 326 CA LEU A 42 105.407 38.287 -94.933 1.00 89.31 C +ATOM 327 C LEU A 42 105.451 38.882 -93.520 1.00 89.31 C +ATOM 328 CB LEU A 42 106.738 37.580 -95.262 1.00 89.31 C +ATOM 329 O LEU A 42 104.971 38.246 -92.591 1.00 89.31 O +ATOM 330 CG LEU A 42 106.692 36.062 -94.998 1.00 89.31 C +ATOM 331 CD1 LEU A 42 106.637 35.287 -96.317 1.00 89.31 C +ATOM 332 CD2 LEU A 42 107.928 35.600 -94.232 1.00 89.31 C +ATOM 333 N ALA A 43 105.968 40.099 -93.349 1.00 90.62 N +ATOM 334 CA ALA A 43 106.023 40.805 -92.074 1.00 90.62 C +ATOM 335 C ALA A 43 104.620 41.181 -91.584 1.00 90.62 C +ATOM 336 CB ALA A 43 106.928 42.035 -92.219 1.00 90.62 C +ATOM 337 O ALA A 43 104.271 40.866 -90.450 1.00 90.62 O +ATOM 338 N VAL A 44 103.779 41.749 -92.459 1.00 92.19 N +ATOM 339 CA VAL A 44 102.362 42.016 -92.149 1.00 92.19 C +ATOM 340 C VAL A 44 101.625 40.717 -91.808 1.00 92.19 C +ATOM 341 CB VAL A 44 101.671 42.744 -93.320 1.00 92.19 C +ATOM 342 O VAL A 44 100.835 40.682 -90.864 1.00 92.19 O +ATOM 343 CG1 VAL A 44 100.160 42.911 -93.098 1.00 92.19 C +ATOM 344 CG2 VAL A 44 102.251 44.151 -93.513 1.00 92.19 C +ATOM 345 N TYR A 45 101.899 39.631 -92.537 1.00 92.62 N +ATOM 346 CA TYR A 45 101.338 38.315 -92.245 1.00 92.62 C +ATOM 347 C TYR A 45 101.810 37.779 -90.886 1.00 92.62 C +ATOM 348 CB TYR A 45 101.669 37.345 -93.386 1.00 92.62 C +ATOM 349 O TYR A 45 100.980 37.332 -90.102 1.00 92.62 O +ATOM 350 CG TYR A 45 101.072 35.967 -93.196 1.00 92.62 C +ATOM 351 CD1 TYR A 45 101.845 34.933 -92.632 1.00 92.62 C +ATOM 352 CD2 TYR A 45 99.734 35.727 -93.561 1.00 92.62 C +ATOM 353 CE1 TYR A 45 101.283 33.658 -92.433 1.00 92.62 C +ATOM 354 CE2 TYR A 45 99.166 34.454 -93.361 1.00 92.62 C +ATOM 355 OH TYR A 45 99.381 32.197 -92.595 1.00 92.62 O +ATOM 356 CZ TYR A 45 99.938 33.420 -92.794 1.00 92.62 C +ATOM 357 N ILE A 46 103.104 37.873 -90.563 1.00 91.88 N +ATOM 358 CA ILE A 46 103.666 37.464 -89.266 1.00 91.88 C +ATOM 359 C ILE A 46 103.050 38.277 -88.128 1.00 91.88 C +ATOM 360 CB ILE A 46 105.211 37.576 -89.269 1.00 91.88 C +ATOM 361 O ILE A 46 102.652 37.692 -87.125 1.00 91.88 O +ATOM 362 CG1 ILE A 46 105.823 36.432 -90.109 1.00 91.88 C +ATOM 363 CG2 ILE A 46 105.792 37.522 -87.839 1.00 91.88 C +ATOM 364 CD1 ILE A 46 107.293 36.665 -90.486 1.00 91.88 C +ATOM 365 N ASP A 47 102.930 39.596 -88.267 1.00 93.31 N +ATOM 366 CA ASP A 47 102.320 40.446 -87.242 1.00 93.31 C +ATOM 367 C ASP A 47 100.836 40.116 -87.058 1.00 93.31 C +ATOM 368 CB ASP A 47 102.512 41.928 -87.596 1.00 93.31 C +ATOM 369 O ASP A 47 100.346 40.057 -85.927 1.00 93.31 O +ATOM 370 CG ASP A 47 103.934 42.444 -87.332 1.00 93.31 C +ATOM 371 OD1 ASP A 47 104.689 41.780 -86.575 1.00 93.31 O +ATOM 372 OD2 ASP A 47 104.235 43.548 -87.836 1.00 93.31 O +ATOM 373 N ARG A 48 100.119 39.813 -88.149 1.00 93.38 N +ATOM 374 CA ARG A 48 98.726 39.365 -88.069 1.00 93.38 C +ATOM 375 C ARG A 48 98.604 37.994 -87.413 1.00 93.38 C +ATOM 376 CB ARG A 48 98.070 39.401 -89.459 1.00 93.38 C +ATOM 377 O ARG A 48 97.728 37.828 -86.572 1.00 93.38 O +ATOM 378 CG ARG A 48 96.561 39.101 -89.429 1.00 93.38 C +ATOM 379 CD ARG A 48 95.799 40.092 -88.537 1.00 93.38 C +ATOM 380 NE ARG A 48 94.343 39.865 -88.561 1.00 93.38 N +ATOM 381 NH1 ARG A 48 93.809 41.437 -86.972 1.00 93.38 N +ATOM 382 NH2 ARG A 48 92.206 40.141 -87.814 1.00 93.38 N +ATOM 383 CZ ARG A 48 93.463 40.483 -87.791 1.00 93.38 C +ATOM 384 N VAL A 49 99.467 37.038 -87.753 1.00 96.12 N +ATOM 385 CA VAL A 49 99.507 35.712 -87.118 1.00 96.12 C +ATOM 386 C VAL A 49 99.832 35.849 -85.637 1.00 96.12 C +ATOM 387 CB VAL A 49 100.495 34.769 -87.830 1.00 96.12 C +ATOM 388 O VAL A 49 99.100 35.299 -84.830 1.00 96.12 O +ATOM 389 CG1 VAL A 49 100.761 33.481 -87.041 1.00 96.12 C +ATOM 390 CG2 VAL A 49 99.927 34.346 -89.190 1.00 96.12 C +ATOM 391 N ARG A 50 100.822 36.662 -85.256 1.00 93.88 N +ATOM 392 CA ARG A 50 101.147 36.940 -83.848 1.00 93.88 C +ATOM 393 C ARG A 50 99.982 37.575 -83.103 1.00 93.88 C +ATOM 394 CB ARG A 50 102.361 37.867 -83.764 1.00 93.88 C +ATOM 395 O ARG A 50 99.673 37.154 -81.996 1.00 93.88 O +ATOM 396 CG ARG A 50 103.665 37.125 -84.053 1.00 93.88 C +ATOM 397 CD ARG A 50 104.794 38.152 -84.083 1.00 93.88 C +ATOM 398 NE ARG A 50 106.100 37.501 -84.249 1.00 93.88 N +ATOM 399 NH1 ARG A 50 107.327 39.434 -84.326 1.00 93.88 N +ATOM 400 NH2 ARG A 50 108.361 37.454 -84.461 1.00 93.88 N +ATOM 401 CZ ARG A 50 107.254 38.131 -84.341 1.00 93.88 C +ATOM 402 N SER A 51 99.316 38.562 -83.704 1.00 94.75 N +ATOM 403 CA SER A 51 98.110 39.173 -83.134 1.00 94.75 C +ATOM 404 C SER A 51 96.980 38.155 -82.969 1.00 94.75 C +ATOM 405 CB SER A 51 97.630 40.316 -84.029 1.00 94.75 C +ATOM 406 O SER A 51 96.254 38.214 -81.983 1.00 94.75 O +ATOM 407 OG SER A 51 96.446 40.907 -83.521 1.00 94.75 O +ATOM 408 N LEU A 52 96.812 37.237 -83.923 1.00 95.00 N +ATOM 409 CA LEU A 52 95.812 36.173 -83.843 1.00 95.00 C +ATOM 410 C LEU A 52 96.218 35.083 -82.846 1.00 95.00 C +ATOM 411 CB LEU A 52 95.587 35.569 -85.240 1.00 95.00 C +ATOM 412 O LEU A 52 95.351 34.485 -82.225 1.00 95.00 O +ATOM 413 CG LEU A 52 94.795 36.466 -86.206 1.00 95.00 C +ATOM 414 CD1 LEU A 52 94.843 35.858 -87.610 1.00 95.00 C +ATOM 415 CD2 LEU A 52 93.327 36.604 -85.801 1.00 95.00 C +ATOM 416 N GLU A 53 97.505 34.803 -82.670 1.00 94.50 N +ATOM 417 CA GLU A 53 98.025 33.866 -81.673 1.00 94.50 C +ATOM 418 C GLU A 53 97.847 34.413 -80.258 1.00 94.50 C +ATOM 419 CB GLU A 53 99.510 33.579 -81.931 1.00 94.50 C +ATOM 420 O GLU A 53 97.401 33.674 -79.383 1.00 94.50 O +ATOM 421 CG GLU A 53 99.736 32.592 -83.085 1.00 94.50 C +ATOM 422 CD GLU A 53 101.222 32.418 -83.445 1.00 94.50 C +ATOM 423 OE1 GLU A 53 101.512 31.454 -84.186 1.00 94.50 O +ATOM 424 OE2 GLU A 53 102.060 33.237 -82.995 1.00 94.50 O +ATOM 425 N THR A 54 98.129 35.700 -80.028 1.00 94.50 N +ATOM 426 CA THR A 54 97.892 36.347 -78.730 1.00 94.50 C +ATOM 427 C THR A 54 96.403 36.444 -78.418 1.00 94.50 C +ATOM 428 CB THR A 54 98.523 37.744 -78.641 1.00 94.50 C +ATOM 429 O THR A 54 95.995 36.134 -77.299 1.00 94.50 O +ATOM 430 CG2 THR A 54 100.050 37.700 -78.665 1.00 94.50 C +ATOM 431 OG1 THR A 54 98.110 38.573 -79.697 1.00 94.50 O +ATOM 432 N GLU A 55 95.576 36.794 -79.406 1.00 95.75 N +ATOM 433 CA GLU A 55 94.120 36.787 -79.264 1.00 95.75 C +ATOM 434 C GLU A 55 93.593 35.371 -78.995 1.00 95.75 C +ATOM 435 CB GLU A 55 93.477 37.419 -80.507 1.00 95.75 C +ATOM 436 O GLU A 55 92.851 35.177 -78.036 1.00 95.75 O +ATOM 437 CG GLU A 55 91.958 37.579 -80.355 1.00 95.75 C +ATOM 438 CD GLU A 55 91.296 38.299 -81.542 1.00 95.75 C +ATOM 439 OE1 GLU A 55 90.083 38.581 -81.420 1.00 95.75 O +ATOM 440 OE2 GLU A 55 91.980 38.573 -82.558 1.00 95.75 O +ATOM 441 N ASN A 56 94.029 34.356 -79.751 1.00 94.44 N +ATOM 442 CA ASN A 56 93.645 32.961 -79.518 1.00 94.44 C +ATOM 443 C ASN A 56 94.119 32.443 -78.158 1.00 94.44 C +ATOM 444 CB ASN A 56 94.190 32.050 -80.630 1.00 94.44 C +ATOM 445 O ASN A 56 93.392 31.690 -77.517 1.00 94.44 O +ATOM 446 CG ASN A 56 93.291 32.010 -81.848 1.00 94.44 C +ATOM 447 ND2 ASN A 56 93.840 32.138 -83.029 1.00 94.44 N +ATOM 448 OD1 ASN A 56 92.096 31.798 -81.758 1.00 94.44 O +ATOM 449 N ALA A 57 95.310 32.828 -77.696 1.00 95.31 N +ATOM 450 CA ALA A 57 95.785 32.484 -76.360 1.00 95.31 C +ATOM 451 C ALA A 57 94.887 33.107 -75.279 1.00 95.31 C +ATOM 452 CB ALA A 57 97.247 32.920 -76.218 1.00 95.31 C +ATOM 453 O ALA A 57 94.482 32.415 -74.346 1.00 95.31 O +ATOM 454 N GLY A 58 94.503 34.377 -75.445 1.00 96.06 N +ATOM 455 CA GLY A 58 93.553 35.052 -74.559 1.00 96.06 C +ATOM 456 C GLY A 58 92.151 34.435 -74.597 1.00 96.06 C +ATOM 457 O GLY A 58 91.534 34.248 -73.552 1.00 96.06 O +ATOM 458 N LEU A 59 91.652 34.068 -75.781 1.00 95.75 N +ATOM 459 CA LEU A 59 90.365 33.386 -75.941 1.00 95.75 C +ATOM 460 C LEU A 59 90.384 31.996 -75.303 1.00 95.75 C +ATOM 461 CB LEU A 59 89.988 33.292 -77.431 1.00 95.75 C +ATOM 462 O LEU A 59 89.433 31.645 -74.614 1.00 95.75 O +ATOM 463 CG LEU A 59 89.561 34.622 -78.081 1.00 95.75 C +ATOM 464 CD1 LEU A 59 89.358 34.408 -79.581 1.00 95.75 C +ATOM 465 CD2 LEU A 59 88.255 35.161 -77.490 1.00 95.75 C +ATOM 466 N ARG A 60 91.468 31.230 -75.462 1.00 95.25 N +ATOM 467 CA ARG A 60 91.640 29.932 -74.791 1.00 95.25 C +ATOM 468 C ARG A 60 91.631 30.078 -73.275 1.00 95.25 C +ATOM 469 CB ARG A 60 92.935 29.256 -75.251 1.00 95.25 C +ATOM 470 O ARG A 60 90.946 29.301 -72.625 1.00 95.25 O +ATOM 471 CG ARG A 60 92.795 28.658 -76.655 1.00 95.25 C +ATOM 472 CD ARG A 60 94.161 28.150 -77.117 1.00 95.25 C +ATOM 473 NE ARG A 60 94.104 27.627 -78.492 1.00 95.25 N +ATOM 474 NH1 ARG A 60 96.228 26.761 -78.557 1.00 95.25 N +ATOM 475 NH2 ARG A 60 94.926 26.633 -80.366 1.00 95.25 N +ATOM 476 CZ ARG A 60 95.082 27.010 -79.129 1.00 95.25 C +ATOM 477 N LEU A 61 92.315 31.089 -72.734 1.00 94.94 N +ATOM 478 CA LEU A 61 92.291 31.374 -71.298 1.00 94.94 C +ATOM 479 C LEU A 61 90.866 31.693 -70.820 1.00 94.94 C +ATOM 480 CB LEU A 61 93.253 32.529 -70.979 1.00 94.94 C +ATOM 481 O LEU A 61 90.396 31.094 -69.858 1.00 94.94 O +ATOM 482 CG LEU A 61 93.498 32.679 -69.464 1.00 94.94 C +ATOM 483 CD1 LEU A 61 94.580 31.707 -68.987 1.00 94.94 C +ATOM 484 CD2 LEU A 61 93.950 34.102 -69.146 1.00 94.94 C +ATOM 485 N ARG A 62 90.143 32.566 -71.534 1.00 94.88 N +ATOM 486 CA ARG A 62 88.745 32.898 -71.209 1.00 94.88 C +ATOM 487 C ARG A 62 87.824 31.685 -71.284 1.00 94.88 C +ATOM 488 CB ARG A 62 88.214 33.985 -72.146 1.00 94.88 C +ATOM 489 O ARG A 62 86.944 31.556 -70.443 1.00 94.88 O +ATOM 490 CG ARG A 62 88.795 35.361 -71.819 1.00 94.88 C +ATOM 491 CD ARG A 62 88.219 36.372 -72.811 1.00 94.88 C +ATOM 492 NE ARG A 62 88.780 37.714 -72.596 1.00 94.88 N +ATOM 493 NH1 ARG A 62 87.818 38.713 -74.423 1.00 94.88 N +ATOM 494 NH2 ARG A 62 89.179 39.894 -73.103 1.00 94.88 N +ATOM 495 CZ ARG A 62 88.589 38.764 -73.371 1.00 94.88 C +ATOM 496 N ILE A 63 88.026 30.802 -72.265 1.00 95.12 N +ATOM 497 CA ILE A 63 87.288 29.539 -72.364 1.00 95.12 C +ATOM 498 C ILE A 63 87.577 28.691 -71.125 1.00 95.12 C +ATOM 499 CB ILE A 63 87.586 28.802 -73.688 1.00 95.12 C +ATOM 500 O ILE A 63 86.629 28.339 -70.433 1.00 95.12 O +ATOM 501 CG1 ILE A 63 86.943 29.566 -74.869 1.00 95.12 C +ATOM 502 CG2 ILE A 63 87.049 27.359 -73.655 1.00 95.12 C +ATOM 503 CD1 ILE A 63 87.476 29.138 -76.244 1.00 95.12 C +ATOM 504 N THR A 64 88.846 28.463 -70.770 1.00 95.25 N +ATOM 505 CA THR A 64 89.202 27.670 -69.580 1.00 95.25 C +ATOM 506 C THR A 64 88.678 28.281 -68.280 1.00 95.25 C +ATOM 507 CB THR A 64 90.718 27.436 -69.463 1.00 95.25 C +ATOM 508 O THR A 64 88.130 27.565 -67.451 1.00 95.25 O +ATOM 509 CG2 THR A 64 91.231 26.520 -70.574 1.00 95.25 C +ATOM 510 OG1 THR A 64 91.488 28.614 -69.551 1.00 95.25 O +ATOM 511 N GLU A 65 88.762 29.604 -68.114 1.00 95.38 N +ATOM 512 CA GLU A 65 88.203 30.307 -66.954 1.00 95.38 C +ATOM 513 C GLU A 65 86.680 30.148 -66.900 1.00 95.38 C +ATOM 514 CB GLU A 65 88.561 31.802 -67.018 1.00 95.38 C +ATOM 515 O GLU A 65 86.128 29.835 -65.847 1.00 95.38 O +ATOM 516 CG GLU A 65 90.030 32.096 -66.669 1.00 95.38 C +ATOM 517 CD GLU A 65 90.422 33.573 -66.876 1.00 95.38 C +ATOM 518 OE1 GLU A 65 91.554 33.929 -66.476 1.00 95.38 O +ATOM 519 OE2 GLU A 65 89.618 34.347 -67.451 1.00 95.38 O +ATOM 520 N SER A 66 85.994 30.307 -68.036 1.00 94.81 N +ATOM 521 CA SER A 66 84.542 30.134 -68.110 1.00 94.81 C +ATOM 522 C SER A 66 84.112 28.690 -67.845 1.00 94.81 C +ATOM 523 CB SER A 66 83.996 30.648 -69.446 1.00 94.81 C +ATOM 524 O SER A 66 83.149 28.473 -67.117 1.00 94.81 O +ATOM 525 OG SER A 66 84.306 29.810 -70.544 1.00 94.81 O +ATOM 526 N GLU A 67 84.842 27.697 -68.358 1.00 96.25 N +ATOM 527 CA GLU A 67 84.587 26.275 -68.122 1.00 96.25 C +ATOM 528 C GLU A 67 84.810 25.909 -66.654 1.00 96.25 C +ATOM 529 CB GLU A 67 85.509 25.421 -69.005 1.00 96.25 C +ATOM 530 O GLU A 67 84.011 25.177 -66.072 1.00 96.25 O +ATOM 531 CG GLU A 67 85.073 25.397 -70.479 1.00 96.25 C +ATOM 532 CD GLU A 67 86.047 24.623 -71.386 1.00 96.25 C +ATOM 533 OE1 GLU A 67 85.671 24.393 -72.559 1.00 96.25 O +ATOM 534 OE2 GLU A 67 87.155 24.260 -70.927 1.00 96.25 O +ATOM 535 N GLU A 68 85.853 26.450 -66.023 1.00 95.75 N +ATOM 536 CA GLU A 68 86.097 26.269 -64.597 1.00 95.75 C +ATOM 537 C GLU A 68 85.006 26.908 -63.731 1.00 95.75 C +ATOM 538 CB GLU A 68 87.436 26.886 -64.198 1.00 95.75 C +ATOM 539 O GLU A 68 84.559 26.290 -62.761 1.00 95.75 O +ATOM 540 CG GLU A 68 88.663 26.018 -64.495 1.00 95.75 C +ATOM 541 CD GLU A 68 89.918 26.548 -63.779 1.00 95.75 C +ATOM 542 OE1 GLU A 68 91.027 26.140 -64.179 1.00 95.75 O +ATOM 543 OE2 GLU A 68 89.766 27.246 -62.734 1.00 95.75 O +ATOM 544 N VAL A 69 84.574 28.130 -64.059 1.00 95.44 N +ATOM 545 CA VAL A 69 83.483 28.816 -63.351 1.00 95.44 C +ATOM 546 C VAL A 69 82.187 28.028 -63.507 1.00 95.44 C +ATOM 547 CB VAL A 69 83.333 30.276 -63.821 1.00 95.44 C +ATOM 548 O VAL A 69 81.593 27.654 -62.499 1.00 95.44 O +ATOM 549 CG1 VAL A 69 82.061 30.940 -63.279 1.00 95.44 C +ATOM 550 CG2 VAL A 69 84.517 31.120 -63.326 1.00 95.44 C +ATOM 551 N VAL A 70 81.806 27.666 -64.735 1.00 95.94 N +ATOM 552 CA VAL A 70 80.605 26.861 -65.007 1.00 95.94 C +ATOM 553 C VAL A 70 80.691 25.498 -64.317 1.00 95.94 C +ATOM 554 CB VAL A 70 80.384 26.710 -66.527 1.00 95.94 C +ATOM 555 O VAL A 70 79.709 25.047 -63.739 1.00 95.94 O +ATOM 556 CG1 VAL A 70 79.274 25.705 -66.872 1.00 95.94 C +ATOM 557 CG2 VAL A 70 79.973 28.051 -67.152 1.00 95.94 C +ATOM 558 N SER A 71 81.853 24.842 -64.304 1.00 96.06 N +ATOM 559 CA SER A 71 82.051 23.563 -63.608 1.00 96.06 C +ATOM 560 C SER A 71 81.857 23.694 -62.093 1.00 96.06 C +ATOM 561 CB SER A 71 83.444 23.019 -63.934 1.00 96.06 C +ATOM 562 O SER A 71 81.139 22.891 -61.489 1.00 96.06 O +ATOM 563 OG SER A 71 83.666 21.774 -63.302 1.00 96.06 O +ATOM 564 N ARG A 72 82.426 24.739 -61.472 1.00 95.81 N +ATOM 565 CA ARG A 72 82.249 25.034 -60.039 1.00 95.81 C +ATOM 566 C ARG A 72 80.799 25.387 -59.710 1.00 95.81 C +ATOM 567 CB ARG A 72 83.193 26.168 -59.602 1.00 95.81 C +ATOM 568 O ARG A 72 80.269 24.865 -58.733 1.00 95.81 O +ATOM 569 CG ARG A 72 84.663 25.724 -59.511 1.00 95.81 C +ATOM 570 CD ARG A 72 85.565 26.906 -59.122 1.00 95.81 C +ATOM 571 NE ARG A 72 86.998 26.523 -59.101 1.00 95.81 N +ATOM 572 NH1 ARG A 72 87.772 27.873 -60.818 1.00 95.81 N +ATOM 573 NH2 ARG A 72 89.136 26.423 -59.948 1.00 95.81 N +ATOM 574 CZ ARG A 72 87.946 26.944 -59.931 1.00 95.81 C +ATOM 575 N GLU A 73 80.147 26.212 -60.526 1.00 96.31 N +ATOM 576 CA GLU A 73 78.739 26.589 -60.361 1.00 96.31 C +ATOM 577 C GLU A 73 77.813 25.382 -60.514 1.00 96.31 C +ATOM 578 CB GLU A 73 78.349 27.665 -61.381 1.00 96.31 C +ATOM 579 O GLU A 73 76.992 25.127 -59.638 1.00 96.31 O +ATOM 580 CG GLU A 73 78.932 29.041 -61.033 1.00 96.31 C +ATOM 581 CD GLU A 73 78.567 30.122 -62.062 1.00 96.31 C +ATOM 582 OE1 GLU A 73 78.905 31.295 -61.788 1.00 96.31 O +ATOM 583 OE2 GLU A 73 77.944 29.784 -63.096 1.00 96.31 O +ATOM 584 N VAL A 74 77.984 24.576 -61.565 1.00 96.19 N +ATOM 585 CA VAL A 74 77.206 23.348 -61.777 1.00 96.19 C +ATOM 586 C VAL A 74 77.431 22.364 -60.631 1.00 96.19 C +ATOM 587 CB VAL A 74 77.542 22.709 -63.140 1.00 96.19 C +ATOM 588 O VAL A 74 76.472 21.755 -60.161 1.00 96.19 O +ATOM 589 CG1 VAL A 74 76.946 21.301 -63.301 1.00 96.19 C +ATOM 590 CG2 VAL A 74 76.981 23.557 -64.290 1.00 96.19 C +ATOM 591 N SER A 75 78.666 22.210 -60.147 1.00 96.19 N +ATOM 592 CA SER A 75 78.960 21.364 -58.986 1.00 96.19 C +ATOM 593 C SER A 75 78.319 21.900 -57.703 1.00 96.19 C +ATOM 594 CB SER A 75 80.471 21.233 -58.789 1.00 96.19 C +ATOM 595 O SER A 75 77.772 21.115 -56.932 1.00 96.19 O +ATOM 596 OG SER A 75 80.740 20.266 -57.792 1.00 96.19 O +ATOM 597 N GLY A 76 78.361 23.213 -57.471 1.00 96.88 N +ATOM 598 CA GLY A 76 77.747 23.855 -56.307 1.00 96.88 C +ATOM 599 C GLY A 76 76.223 23.748 -56.325 1.00 96.88 C +ATOM 600 O GLY A 76 75.616 23.392 -55.319 1.00 96.88 O +ATOM 601 N ILE A 77 75.610 23.962 -57.491 1.00 96.38 N +ATOM 602 CA ILE A 77 74.172 23.793 -57.711 1.00 96.38 C +ATOM 603 C ILE A 77 73.766 22.330 -57.496 1.00 96.38 C +ATOM 604 CB ILE A 77 73.793 24.319 -59.117 1.00 96.38 C +ATOM 605 O ILE A 77 72.792 22.070 -56.792 1.00 96.38 O +ATOM 606 CG1 ILE A 77 73.906 25.861 -59.169 1.00 96.38 C +ATOM 607 CG2 ILE A 77 72.361 23.909 -59.487 1.00 96.38 C +ATOM 608 CD1 ILE A 77 73.837 26.439 -60.590 1.00 96.38 C +ATOM 609 N LYS A 78 74.518 21.362 -58.042 1.00 97.12 N +ATOM 610 CA LYS A 78 74.278 19.928 -57.800 1.00 97.12 C +ATOM 611 C LYS A 78 74.338 19.592 -56.312 1.00 97.12 C +ATOM 612 CB LYS A 78 75.285 19.065 -58.570 1.00 97.12 C +ATOM 613 O LYS A 78 73.409 18.971 -55.811 1.00 97.12 O +ATOM 614 CG LYS A 78 74.928 18.935 -60.056 1.00 97.12 C +ATOM 615 CD LYS A 78 76.046 18.180 -60.779 1.00 97.12 C +ATOM 616 CE LYS A 78 75.718 18.040 -62.266 1.00 97.12 C +ATOM 617 NZ LYS A 78 76.787 17.297 -62.974 1.00 97.12 N +ATOM 618 N ALA A 79 75.369 20.056 -55.605 1.00 97.06 N +ATOM 619 CA ALA A 79 75.514 19.824 -54.170 1.00 97.06 C +ATOM 620 C ALA A 79 74.361 20.441 -53.356 1.00 97.06 C +ATOM 621 CB ALA A 79 76.875 20.371 -53.726 1.00 97.06 C +ATOM 622 O ALA A 79 73.855 19.803 -52.435 1.00 97.06 O +ATOM 623 N ALA A 80 73.903 21.647 -53.715 1.00 96.44 N +ATOM 624 CA ALA A 80 72.750 22.282 -53.077 1.00 96.44 C +ATOM 625 C ALA A 80 71.459 21.476 -53.302 1.00 96.44 C +ATOM 626 CB ALA A 80 72.627 23.722 -53.588 1.00 96.44 C +ATOM 627 O ALA A 80 70.755 21.167 -52.345 1.00 96.44 O +ATOM 628 N TYR A 81 71.177 21.058 -54.542 1.00 96.56 N +ATOM 629 CA TYR A 81 70.013 20.213 -54.830 1.00 96.56 C +ATOM 630 C TYR A 81 70.091 18.843 -54.144 1.00 96.56 C +ATOM 631 CB TYR A 81 69.838 20.033 -56.345 1.00 96.56 C +ATOM 632 O TYR A 81 69.072 18.339 -53.681 1.00 96.56 O +ATOM 633 CG TYR A 81 69.160 21.196 -57.043 1.00 96.56 C +ATOM 634 CD1 TYR A 81 67.825 21.519 -56.730 1.00 96.56 C +ATOM 635 CD2 TYR A 81 69.839 21.929 -58.033 1.00 96.56 C +ATOM 636 CE1 TYR A 81 67.182 22.589 -57.382 1.00 96.56 C +ATOM 637 CE2 TYR A 81 69.197 22.995 -58.693 1.00 96.56 C +ATOM 638 OH TYR A 81 67.259 24.375 -58.980 1.00 96.56 O +ATOM 639 CZ TYR A 81 67.872 23.336 -58.356 1.00 96.56 C +ATOM 640 N GLU A 82 71.273 18.231 -54.053 1.00 97.38 N +ATOM 641 CA GLU A 82 71.470 16.967 -53.335 1.00 97.38 C +ATOM 642 C GLU A 82 71.231 17.111 -51.827 1.00 97.38 C +ATOM 643 CB GLU A 82 72.883 16.427 -53.597 1.00 97.38 C +ATOM 644 O GLU A 82 70.614 16.228 -51.225 1.00 97.38 O +ATOM 645 CG GLU A 82 73.004 15.783 -54.987 1.00 97.38 C +ATOM 646 CD GLU A 82 74.435 15.337 -55.332 1.00 97.38 C +ATOM 647 OE1 GLU A 82 74.616 14.855 -56.476 1.00 97.38 O +ATOM 648 OE2 GLU A 82 75.333 15.447 -54.468 1.00 97.38 O +ATOM 649 N ALA A 83 71.662 18.224 -51.227 1.00 97.31 N +ATOM 650 CA ALA A 83 71.395 18.534 -49.825 1.00 97.31 C +ATOM 651 C ALA A 83 69.890 18.713 -49.566 1.00 97.31 C +ATOM 652 CB ALA A 83 72.208 19.770 -49.424 1.00 97.31 C +ATOM 653 O ALA A 83 69.338 18.032 -48.700 1.00 97.31 O +ATOM 654 N GLU A 84 69.210 19.529 -50.379 1.00 97.19 N +ATOM 655 CA GLU A 84 67.759 19.750 -50.286 1.00 97.19 C +ATOM 656 C GLU A 84 66.964 18.453 -50.512 1.00 97.19 C +ATOM 657 CB GLU A 84 67.331 20.809 -51.316 1.00 97.19 C +ATOM 658 O GLU A 84 66.017 18.156 -49.784 1.00 97.19 O +ATOM 659 CG GLU A 84 67.838 22.228 -51.001 1.00 97.19 C +ATOM 660 CD GLU A 84 67.304 22.802 -49.680 1.00 97.19 C +ATOM 661 OE1 GLU A 84 68.003 23.668 -49.109 1.00 97.19 O +ATOM 662 OE2 GLU A 84 66.192 22.395 -49.270 1.00 97.19 O +ATOM 663 N LEU A 85 67.374 17.610 -51.469 1.00 96.56 N +ATOM 664 CA LEU A 85 66.782 16.281 -51.668 1.00 96.56 C +ATOM 665 C LEU A 85 67.013 15.364 -50.461 1.00 96.56 C +ATOM 666 CB LEU A 85 67.369 15.629 -52.933 1.00 96.56 C +ATOM 667 O LEU A 85 66.134 14.574 -50.108 1.00 96.56 O +ATOM 668 CG LEU A 85 66.788 16.161 -54.254 1.00 96.56 C +ATOM 669 CD1 LEU A 85 67.620 15.623 -55.420 1.00 96.56 C +ATOM 670 CD2 LEU A 85 65.341 15.702 -54.461 1.00 96.56 C +ATOM 671 N GLY A 86 68.186 15.443 -49.833 1.00 97.50 N +ATOM 672 CA GLY A 86 68.502 14.719 -48.607 1.00 97.50 C +ATOM 673 C GLY A 86 67.594 15.126 -47.447 1.00 97.50 C +ATOM 674 O GLY A 86 67.051 14.259 -46.759 1.00 97.50 O +ATOM 675 N ASP A 87 67.372 16.423 -47.259 1.00 97.38 N +ATOM 676 CA ASP A 87 66.523 16.946 -46.188 1.00 97.38 C +ATOM 677 C ASP A 87 65.029 16.716 -46.466 1.00 97.38 C +ATOM 678 CB ASP A 87 66.886 18.414 -45.929 1.00 97.38 C +ATOM 679 O ASP A 87 64.286 16.310 -45.565 1.00 97.38 O +ATOM 680 CG ASP A 87 68.269 18.562 -45.265 1.00 97.38 C +ATOM 681 OD1 ASP A 87 68.801 17.550 -44.713 1.00 97.38 O +ATOM 682 OD2 ASP A 87 68.775 19.699 -45.233 1.00 97.38 O +ATOM 683 N ALA A 88 64.592 16.815 -47.724 1.00 97.00 N +ATOM 684 CA ALA A 88 63.252 16.408 -48.148 1.00 97.00 C +ATOM 685 C ALA A 88 62.989 14.910 -47.888 1.00 97.00 C +ATOM 686 CB ALA A 88 63.079 16.757 -49.629 1.00 97.00 C +ATOM 687 O ALA A 88 61.905 14.527 -47.449 1.00 97.00 O +ATOM 688 N ARG A 89 63.986 14.037 -48.096 1.00 97.50 N +ATOM 689 CA ARG A 89 63.868 12.602 -47.773 1.00 97.50 C +ATOM 690 C ARG A 89 63.787 12.355 -46.268 1.00 97.50 C +ATOM 691 CB ARG A 89 65.027 11.815 -48.391 1.00 97.50 C +ATOM 692 O ARG A 89 62.912 11.617 -45.828 1.00 97.50 O +ATOM 693 CG ARG A 89 64.845 11.619 -49.901 1.00 97.50 C +ATOM 694 CD ARG A 89 66.133 11.036 -50.486 1.00 97.50 C +ATOM 695 NE ARG A 89 66.040 10.864 -51.946 1.00 97.50 N +ATOM 696 NH1 ARG A 89 68.229 10.271 -52.292 1.00 97.50 N +ATOM 697 NH2 ARG A 89 66.852 10.464 -54.036 1.00 97.50 N +ATOM 698 CZ ARG A 89 67.035 10.533 -52.748 1.00 97.50 C +ATOM 699 N LYS A 90 64.640 13.004 -45.466 1.00 97.75 N +ATOM 700 CA LYS A 90 64.593 12.888 -43.994 1.00 97.75 C +ATOM 701 C LYS A 90 63.250 13.350 -43.428 1.00 97.75 C +ATOM 702 CB LYS A 90 65.697 13.734 -43.352 1.00 97.75 C +ATOM 703 O LYS A 90 62.704 12.697 -42.540 1.00 97.75 O +ATOM 704 CG LYS A 90 67.122 13.203 -43.558 1.00 97.75 C +ATOM 705 CD LYS A 90 68.091 14.272 -43.033 1.00 97.75 C +ATOM 706 CE LYS A 90 69.516 14.104 -43.556 1.00 97.75 C +ATOM 707 NZ LYS A 90 70.203 15.423 -43.529 1.00 97.75 N +ATOM 708 N THR A 91 62.718 14.465 -43.929 1.00 97.50 N +ATOM 709 CA THR A 91 61.410 14.981 -43.500 1.00 97.50 C +ATOM 710 C THR A 91 60.283 14.035 -43.907 1.00 97.50 C +ATOM 711 CB THR A 91 61.133 16.399 -44.019 1.00 97.50 C +ATOM 712 O THR A 91 59.439 13.723 -43.067 1.00 97.50 O +ATOM 713 CG2 THR A 91 62.035 17.446 -43.371 1.00 97.50 C +ATOM 714 OG1 THR A 91 61.342 16.482 -45.398 1.00 97.50 O +ATOM 715 N LEU A 92 60.308 13.486 -45.127 1.00 97.25 N +ATOM 716 CA LEU A 92 59.352 12.467 -45.569 1.00 97.25 C +ATOM 717 C LEU A 92 59.384 11.217 -44.675 1.00 97.25 C +ATOM 718 CB LEU A 92 59.637 12.113 -47.039 1.00 97.25 C +ATOM 719 O LEU A 92 58.328 10.748 -44.249 1.00 97.25 O +ATOM 720 CG LEU A 92 58.634 11.119 -47.652 1.00 97.25 C +ATOM 721 CD1 LEU A 92 57.231 11.721 -47.767 1.00 97.25 C +ATOM 722 CD2 LEU A 92 59.098 10.712 -49.050 1.00 97.25 C +ATOM 723 N ASP A 93 60.572 10.709 -44.342 1.00 97.75 N +ATOM 724 CA ASP A 93 60.735 9.548 -43.460 1.00 97.75 C +ATOM 725 C ASP A 93 60.242 9.834 -42.034 1.00 97.75 C +ATOM 726 CB ASP A 93 62.211 9.123 -43.412 1.00 97.75 C +ATOM 727 O ASP A 93 59.620 8.973 -41.403 1.00 97.75 O +ATOM 728 CG ASP A 93 62.710 8.407 -44.672 1.00 97.75 C +ATOM 729 OD1 ASP A 93 61.866 7.908 -45.449 1.00 97.75 O +ATOM 730 OD2 ASP A 93 63.951 8.283 -44.781 1.00 97.75 O +ATOM 731 N SER A 94 60.485 11.043 -41.517 1.00 97.94 N +ATOM 732 CA SER A 94 59.974 11.482 -40.213 1.00 97.94 C +ATOM 733 C SER A 94 58.446 11.514 -40.202 1.00 97.94 C +ATOM 734 CB SER A 94 60.537 12.858 -39.850 1.00 97.94 C +ATOM 735 O SER A 94 57.820 10.897 -39.339 1.00 97.94 O +ATOM 736 OG SER A 94 60.267 13.143 -38.492 1.00 97.94 O +ATOM 737 N VAL A 95 57.837 12.148 -41.209 1.00 97.62 N +ATOM 738 CA VAL A 95 56.377 12.220 -41.365 1.00 97.62 C +ATOM 739 C VAL A 95 55.776 10.824 -41.552 1.00 97.62 C +ATOM 740 CB VAL A 95 56.011 13.150 -42.540 1.00 97.62 C +ATOM 741 O VAL A 95 54.727 10.522 -40.986 1.00 97.62 O +ATOM 742 CG1 VAL A 95 54.515 13.109 -42.886 1.00 97.62 C +ATOM 743 CG2 VAL A 95 56.355 14.608 -42.206 1.00 97.62 C +ATOM 744 N ALA A 96 56.436 9.931 -42.294 1.00 97.75 N +ATOM 745 CA ALA A 96 55.984 8.553 -42.467 1.00 97.75 C +ATOM 746 C ALA A 96 55.984 7.768 -41.142 1.00 97.75 C +ATOM 747 CB ALA A 96 56.854 7.876 -43.533 1.00 97.75 C +ATOM 748 O ALA A 96 55.020 7.048 -40.861 1.00 97.75 O +ATOM 749 N LYS A 97 57.019 7.936 -40.304 1.00 98.00 N +ATOM 750 CA LYS A 97 57.098 7.329 -38.962 1.00 98.00 C +ATOM 751 C LYS A 97 56.031 7.879 -38.019 1.00 98.00 C +ATOM 752 CB LYS A 97 58.490 7.557 -38.356 1.00 98.00 C +ATOM 753 O LYS A 97 55.362 7.094 -37.349 1.00 98.00 O +ATOM 754 CG LYS A 97 59.564 6.668 -38.995 1.00 98.00 C +ATOM 755 CD LYS A 97 60.948 7.070 -38.474 1.00 98.00 C +ATOM 756 CE LYS A 97 62.031 6.262 -39.192 1.00 98.00 C +ATOM 757 NZ LYS A 97 63.389 6.726 -38.819 1.00 98.00 N +ATOM 758 N GLU A 98 55.836 9.195 -37.985 1.00 97.94 N +ATOM 759 CA GLU A 98 54.781 9.823 -37.181 1.00 97.94 C +ATOM 760 C GLU A 98 53.392 9.376 -37.631 1.00 97.94 C +ATOM 761 CB GLU A 98 54.871 11.348 -37.263 1.00 97.94 C +ATOM 762 O GLU A 98 52.572 8.991 -36.801 1.00 97.94 O +ATOM 763 CG GLU A 98 56.048 11.885 -36.442 1.00 97.94 C +ATOM 764 CD GLU A 98 56.100 13.418 -36.424 1.00 97.94 C +ATOM 765 OE1 GLU A 98 56.965 13.934 -35.684 1.00 97.94 O +ATOM 766 OE2 GLU A 98 55.290 14.051 -37.138 1.00 97.94 O +ATOM 767 N ARG A 99 53.143 9.319 -38.945 1.00 97.56 N +ATOM 768 CA ARG A 99 51.885 8.806 -39.496 1.00 97.56 C +ATOM 769 C ARG A 99 51.632 7.363 -39.065 1.00 97.56 C +ATOM 770 CB ARG A 99 51.899 8.946 -41.024 1.00 97.56 C +ATOM 771 O ARG A 99 50.521 7.053 -38.646 1.00 97.56 O +ATOM 772 CG ARG A 99 50.524 8.621 -41.627 1.00 97.56 C +ATOM 773 CD ARG A 99 50.552 8.692 -43.156 1.00 97.56 C +ATOM 774 NE ARG A 99 51.178 7.494 -43.750 1.00 97.56 N +ATOM 775 NH1 ARG A 99 51.133 8.199 -45.935 1.00 97.56 N +ATOM 776 NH2 ARG A 99 51.924 6.170 -45.446 1.00 97.56 N +ATOM 777 CZ ARG A 99 51.409 7.295 -45.036 1.00 97.56 C +ATOM 778 N ALA A 100 52.639 6.492 -39.148 1.00 98.00 N +ATOM 779 CA ALA A 100 52.517 5.101 -38.712 1.00 98.00 C +ATOM 780 C ALA A 100 52.238 5.000 -37.202 1.00 98.00 C +ATOM 781 CB ALA A 100 53.794 4.349 -39.104 1.00 98.00 C +ATOM 782 O ALA A 100 51.357 4.248 -36.783 1.00 98.00 O +ATOM 783 N ARG A 101 52.929 5.804 -36.384 1.00 98.12 N +ATOM 784 CA ARG A 101 52.693 5.886 -34.938 1.00 98.12 C +ATOM 785 C ARG A 101 51.265 6.337 -34.620 1.00 98.12 C +ATOM 786 CB ARG A 101 53.741 6.816 -34.312 1.00 98.12 C +ATOM 787 O ARG A 101 50.576 5.664 -33.859 1.00 98.12 O +ATOM 788 CG ARG A 101 53.523 6.938 -32.803 1.00 98.12 C +ATOM 789 CD ARG A 101 54.506 7.915 -32.173 1.00 98.12 C +ATOM 790 NE ARG A 101 54.094 8.135 -30.785 1.00 98.12 N +ATOM 791 NH1 ARG A 101 56.137 8.508 -29.802 1.00 98.12 N +ATOM 792 NH2 ARG A 101 54.228 8.484 -28.596 1.00 98.12 N +ATOM 793 CZ ARG A 101 54.838 8.378 -29.736 1.00 98.12 C +ATOM 794 N LEU A 102 50.808 7.431 -35.228 1.00 97.75 N +ATOM 795 CA LEU A 102 49.462 7.970 -35.023 1.00 97.75 C +ATOM 796 C LEU A 102 48.378 6.995 -35.494 1.00 97.75 C +ATOM 797 CB LEU A 102 49.332 9.316 -35.757 1.00 97.75 C +ATOM 798 O LEU A 102 47.337 6.882 -34.854 1.00 97.75 O +ATOM 799 CG LEU A 102 50.118 10.476 -35.116 1.00 97.75 C +ATOM 800 CD1 LEU A 102 50.050 11.694 -36.038 1.00 97.75 C +ATOM 801 CD2 LEU A 102 49.549 10.874 -33.753 1.00 97.75 C +ATOM 802 N GLN A 103 48.616 6.244 -36.573 1.00 98.06 N +ATOM 803 CA GLN A 103 47.703 5.188 -37.020 1.00 98.06 C +ATOM 804 C GLN A 103 47.580 4.051 -35.994 1.00 98.06 C +ATOM 805 CB GLN A 103 48.161 4.641 -38.380 1.00 98.06 C +ATOM 806 O GLN A 103 46.467 3.587 -35.741 1.00 98.06 O +ATOM 807 CG GLN A 103 47.755 5.572 -39.531 1.00 98.06 C +ATOM 808 CD GLN A 103 48.277 5.109 -40.888 1.00 98.06 C +ATOM 809 NE2 GLN A 103 47.696 5.580 -41.971 1.00 98.06 N +ATOM 810 OE1 GLN A 103 49.206 4.332 -41.030 1.00 98.06 O +ATOM 811 N LEU A 104 48.688 3.626 -35.376 1.00 97.62 N +ATOM 812 CA LEU A 104 48.671 2.615 -34.313 1.00 97.62 C +ATOM 813 C LEU A 104 47.973 3.126 -33.047 1.00 97.62 C +ATOM 814 CB LEU A 104 50.107 2.166 -33.989 1.00 97.62 C +ATOM 815 O LEU A 104 47.137 2.417 -32.488 1.00 97.62 O +ATOM 816 CG LEU A 104 50.783 1.321 -35.082 1.00 97.62 C +ATOM 817 CD1 LEU A 104 52.248 1.094 -34.704 1.00 97.62 C +ATOM 818 CD2 LEU A 104 50.116 -0.047 -35.252 1.00 97.62 C +ATOM 819 N GLU A 105 48.264 4.356 -32.618 1.00 97.94 N +ATOM 820 CA GLU A 105 47.599 4.989 -31.471 1.00 97.94 C +ATOM 821 C GLU A 105 46.088 5.124 -31.714 1.00 97.94 C +ATOM 822 CB GLU A 105 48.238 6.359 -31.172 1.00 97.94 C +ATOM 823 O GLU A 105 45.283 4.754 -30.862 1.00 97.94 O +ATOM 824 CG GLU A 105 49.639 6.238 -30.533 1.00 97.94 C +ATOM 825 CD GLU A 105 50.337 7.592 -30.277 1.00 97.94 C +ATOM 826 OE1 GLU A 105 51.512 7.584 -29.813 1.00 97.94 O +ATOM 827 OE2 GLU A 105 49.725 8.641 -30.561 1.00 97.94 O +ATOM 828 N LEU A 106 45.685 5.545 -32.914 1.00 97.00 N +ATOM 829 CA LEU A 106 44.282 5.633 -33.310 1.00 97.00 C +ATOM 830 C LEU A 106 43.602 4.257 -33.348 1.00 97.00 C +ATOM 831 CB LEU A 106 44.234 6.390 -34.645 1.00 97.00 C +ATOM 832 O LEU A 106 42.459 4.134 -32.908 1.00 97.00 O +ATOM 833 CG LEU A 106 42.838 6.538 -35.272 1.00 97.00 C +ATOM 834 CD1 LEU A 106 42.762 7.838 -36.074 1.00 97.00 C +ATOM 835 CD2 LEU A 106 42.548 5.389 -36.242 1.00 97.00 C +ATOM 836 N SER A 107 44.283 3.214 -33.834 1.00 97.94 N +ATOM 837 CA SER A 107 43.767 1.841 -33.778 1.00 97.94 C +ATOM 838 C SER A 107 43.570 1.381 -32.333 1.00 97.94 C +ATOM 839 CB SER A 107 44.708 0.876 -34.501 1.00 97.94 C +ATOM 840 O SER A 107 42.526 0.820 -32.010 1.00 97.94 O +ATOM 841 OG SER A 107 44.102 -0.397 -34.617 1.00 97.94 O +ATOM 842 N LYS A 108 44.539 1.656 -31.453 1.00 98.00 N +ATOM 843 CA LYS A 108 44.480 1.303 -30.032 1.00 98.00 C +ATOM 844 C LYS A 108 43.310 1.993 -29.327 1.00 98.00 C +ATOM 845 CB LYS A 108 45.833 1.641 -29.392 1.00 98.00 C +ATOM 846 O LYS A 108 42.490 1.317 -28.718 1.00 98.00 O +ATOM 847 CG LYS A 108 45.901 1.175 -27.936 1.00 98.00 C +ATOM 848 CD LYS A 108 47.227 1.597 -27.298 1.00 98.00 C +ATOM 849 CE LYS A 108 47.206 1.140 -25.840 1.00 98.00 C +ATOM 850 NZ LYS A 108 48.309 1.729 -25.054 1.00 98.00 N +ATOM 851 N VAL A 109 43.175 3.311 -29.489 1.00 97.69 N +ATOM 852 CA VAL A 109 42.079 4.095 -28.891 1.00 97.69 C +ATOM 853 C VAL A 109 40.713 3.639 -29.414 1.00 97.69 C +ATOM 854 CB VAL A 109 42.298 5.600 -29.146 1.00 97.69 C +ATOM 855 O VAL A 109 39.741 3.609 -28.663 1.00 97.69 O +ATOM 856 CG1 VAL A 109 41.100 6.462 -28.722 1.00 97.69 C +ATOM 857 CG2 VAL A 109 43.516 6.108 -28.364 1.00 97.69 C +ATOM 858 N ARG A 110 40.611 3.242 -30.690 1.00 97.69 N +ATOM 859 CA ARG A 110 39.363 2.691 -31.247 1.00 97.69 C +ATOM 860 C ARG A 110 38.967 1.365 -30.604 1.00 97.69 C +ATOM 861 CB ARG A 110 39.480 2.521 -32.764 1.00 97.69 C +ATOM 862 O ARG A 110 37.785 1.184 -30.321 1.00 97.69 O +ATOM 863 CG ARG A 110 39.275 3.846 -33.504 1.00 97.69 C +ATOM 864 CD ARG A 110 39.459 3.605 -35.003 1.00 97.69 C +ATOM 865 NE ARG A 110 39.210 4.829 -35.784 1.00 97.69 N +ATOM 866 NH1 ARG A 110 39.630 3.932 -37.855 1.00 97.69 N +ATOM 867 NH2 ARG A 110 39.065 6.085 -37.678 1.00 97.69 N +ATOM 868 CZ ARG A 110 39.294 4.940 -37.098 1.00 97.69 C +ATOM 869 N GLU A 111 39.911 0.456 -30.384 1.00 97.75 N +ATOM 870 CA GLU A 111 39.624 -0.811 -29.701 1.00 97.75 C +ATOM 871 C GLU A 111 39.290 -0.587 -28.220 1.00 97.75 C +ATOM 872 CB GLU A 111 40.772 -1.816 -29.894 1.00 97.75 C +ATOM 873 O GLU A 111 38.276 -1.094 -27.744 1.00 97.75 O +ATOM 874 CG GLU A 111 40.937 -2.291 -31.352 1.00 97.75 C +ATOM 875 CD GLU A 111 39.624 -2.783 -31.990 1.00 97.75 C +ATOM 876 OE1 GLU A 111 39.279 -2.330 -33.112 1.00 97.75 O +ATOM 877 OE2 GLU A 111 38.868 -3.541 -31.351 1.00 97.75 O +ATOM 878 N GLU A 112 40.030 0.281 -27.523 1.00 98.00 N +ATOM 879 CA GLU A 112 39.711 0.682 -26.145 1.00 98.00 C +ATOM 880 C GLU A 112 38.304 1.288 -26.039 1.00 98.00 C +ATOM 881 CB GLU A 112 40.743 1.703 -25.644 1.00 98.00 C +ATOM 882 O GLU A 112 37.536 0.941 -25.141 1.00 98.00 O +ATOM 883 CG GLU A 112 42.117 1.074 -25.357 1.00 98.00 C +ATOM 884 CD GLU A 112 43.198 2.108 -24.994 1.00 98.00 C +ATOM 885 OE1 GLU A 112 44.337 1.674 -24.690 1.00 98.00 O +ATOM 886 OE2 GLU A 112 42.920 3.327 -25.037 1.00 98.00 O +ATOM 887 N PHE A 113 37.917 2.146 -26.987 1.00 97.75 N +ATOM 888 CA PHE A 113 36.570 2.708 -27.045 1.00 97.75 C +ATOM 889 C PHE A 113 35.499 1.630 -27.258 1.00 97.75 C +ATOM 890 CB PHE A 113 36.502 3.769 -28.148 1.00 97.75 C +ATOM 891 O PHE A 113 34.468 1.653 -26.582 1.00 97.75 O +ATOM 892 CG PHE A 113 35.115 4.355 -28.320 1.00 97.75 C +ATOM 893 CD1 PHE A 113 34.256 3.865 -29.322 1.00 97.75 C +ATOM 894 CD2 PHE A 113 34.667 5.362 -27.446 1.00 97.75 C +ATOM 895 CE1 PHE A 113 32.958 4.391 -29.458 1.00 97.75 C +ATOM 896 CE2 PHE A 113 33.370 5.886 -27.580 1.00 97.75 C +ATOM 897 CZ PHE A 113 32.516 5.404 -28.587 1.00 97.75 C +ATOM 898 N LYS A 114 35.723 0.669 -28.166 1.00 98.00 N +ATOM 899 CA LYS A 114 34.796 -0.457 -28.381 1.00 98.00 C +ATOM 900 C LYS A 114 34.641 -1.299 -27.115 1.00 98.00 C +ATOM 901 CB LYS A 114 35.289 -1.353 -29.522 1.00 98.00 C +ATOM 902 O LYS A 114 33.513 -1.625 -26.743 1.00 98.00 O +ATOM 903 CG LYS A 114 35.116 -0.756 -30.925 1.00 98.00 C +ATOM 904 CD LYS A 114 35.840 -1.693 -31.896 1.00 98.00 C +ATOM 905 CE LYS A 114 35.874 -1.201 -33.340 1.00 98.00 C +ATOM 906 NZ LYS A 114 36.775 -2.092 -34.111 1.00 98.00 N +ATOM 907 N GLU A 115 35.741 -1.609 -26.431 1.00 97.44 N +ATOM 908 CA GLU A 115 35.719 -2.353 -25.172 1.00 97.44 C +ATOM 909 C GLU A 115 34.985 -1.596 -24.064 1.00 97.44 C +ATOM 910 CB GLU A 115 37.138 -2.632 -24.676 1.00 97.44 C +ATOM 911 O GLU A 115 34.135 -2.171 -23.384 1.00 97.44 O +ATOM 912 CG GLU A 115 37.871 -3.724 -25.462 1.00 97.44 C +ATOM 913 CD GLU A 115 39.198 -4.093 -24.781 1.00 97.44 C +ATOM 914 OE1 GLU A 115 40.077 -4.636 -25.478 1.00 97.44 O +ATOM 915 OE2 GLU A 115 39.284 -3.919 -23.532 1.00 97.44 O +ATOM 916 N LEU A 116 35.282 -0.305 -23.883 1.00 97.25 N +ATOM 917 CA LEU A 116 34.615 0.537 -22.890 1.00 97.25 C +ATOM 918 C LEU A 116 33.120 0.647 -23.175 1.00 97.25 C +ATOM 919 CB LEU A 116 35.262 1.931 -22.861 1.00 97.25 C +ATOM 920 O LEU A 116 32.316 0.515 -22.254 1.00 97.25 O +ATOM 921 CG LEU A 116 36.623 1.981 -22.146 1.00 97.25 C +ATOM 922 CD1 LEU A 116 37.235 3.369 -22.333 1.00 97.25 C +ATOM 923 CD2 LEU A 116 36.492 1.715 -20.642 1.00 97.25 C +ATOM 924 N LYS A 117 32.734 0.803 -24.445 1.00 97.56 N +ATOM 925 CA LYS A 117 31.330 0.817 -24.857 1.00 97.56 C +ATOM 926 C LYS A 117 30.639 -0.507 -24.526 1.00 97.56 C +ATOM 927 CB LYS A 117 31.245 1.183 -26.344 1.00 97.56 C +ATOM 928 O LYS A 117 29.577 -0.480 -23.913 1.00 97.56 O +ATOM 929 CG LYS A 117 29.795 1.435 -26.774 1.00 97.56 C +ATOM 930 CD LYS A 117 29.728 1.895 -28.233 1.00 97.56 C +ATOM 931 CE LYS A 117 28.268 2.196 -28.590 1.00 97.56 C +ATOM 932 NZ LYS A 117 28.122 2.664 -29.991 1.00 97.56 N +ATOM 933 N ALA A 118 31.251 -1.648 -24.850 1.00 97.56 N +ATOM 934 CA ALA A 118 30.702 -2.971 -24.538 1.00 97.56 C +ATOM 935 C ALA A 118 30.584 -3.223 -23.020 1.00 97.56 C +ATOM 936 CB ALA A 118 31.586 -4.029 -25.209 1.00 97.56 C +ATOM 937 O ALA A 118 29.592 -3.780 -22.539 1.00 97.56 O +ATOM 938 N ARG A 119 31.579 -2.781 -22.239 1.00 97.00 N +ATOM 939 CA ARG A 119 31.534 -2.834 -20.769 1.00 97.00 C +ATOM 940 C ARG A 119 30.417 -1.950 -20.222 1.00 97.00 C +ATOM 941 CB ARG A 119 32.888 -2.429 -20.169 1.00 97.00 C +ATOM 942 O ARG A 119 29.693 -2.404 -19.341 1.00 97.00 O +ATOM 943 CG ARG A 119 33.985 -3.483 -20.390 1.00 97.00 C +ATOM 944 CD ARG A 119 35.331 -2.960 -19.871 1.00 97.00 C +ATOM 945 NE ARG A 119 36.474 -3.730 -20.402 1.00 97.00 N +ATOM 946 NH1 ARG A 119 38.096 -2.886 -19.013 1.00 97.00 N +ATOM 947 NH2 ARG A 119 38.694 -4.171 -20.732 1.00 97.00 N +ATOM 948 CZ ARG A 119 37.742 -3.604 -20.045 1.00 97.00 C +ATOM 949 N ASN A 120 30.249 -0.741 -20.755 1.00 97.50 N +ATOM 950 CA ASN A 120 29.188 0.169 -20.336 1.00 97.50 C +ATOM 951 C ASN A 120 27.800 -0.417 -20.625 1.00 97.50 C +ATOM 952 CB ASN A 120 29.383 1.548 -20.983 1.00 97.50 C +ATOM 953 O ASN A 120 26.991 -0.516 -19.712 1.00 97.50 O +ATOM 954 CG ASN A 120 28.411 2.539 -20.364 1.00 97.50 C +ATOM 955 ND2 ASN A 120 27.623 3.216 -21.160 1.00 97.50 N +ATOM 956 OD1 ASN A 120 28.348 2.660 -19.153 1.00 97.50 O +ATOM 957 N THR A 121 27.564 -0.940 -21.833 1.00 97.75 N +ATOM 958 CA THR A 121 26.281 -1.585 -22.170 1.00 97.75 C +ATOM 959 C THR A 121 25.976 -2.786 -21.273 1.00 97.75 C +ATOM 960 CB THR A 121 26.238 -2.040 -23.638 1.00 97.75 C +ATOM 961 O THR A 121 24.831 -3.001 -20.884 1.00 97.75 O +ATOM 962 CG2 THR A 121 26.216 -0.853 -24.598 1.00 97.75 C +ATOM 963 OG1 THR A 121 27.357 -2.822 -24.002 1.00 97.75 O +ATOM 964 N LYS A 122 27.000 -3.564 -20.888 1.00 97.81 N +ATOM 965 CA LYS A 122 26.830 -4.666 -19.931 1.00 97.81 C +ATOM 966 C LYS A 122 26.449 -4.147 -18.542 1.00 97.81 C +ATOM 967 CB LYS A 122 28.099 -5.531 -19.902 1.00 97.81 C +ATOM 968 O LYS A 122 25.541 -4.689 -17.924 1.00 97.81 O +ATOM 969 CG LYS A 122 27.913 -6.750 -18.987 1.00 97.81 C +ATOM 970 CD LYS A 122 29.149 -7.652 -18.992 1.00 97.81 C +ATOM 971 CE LYS A 122 28.886 -8.818 -18.034 1.00 97.81 C +ATOM 972 NZ LYS A 122 30.019 -9.775 -18.002 1.00 97.81 N +ATOM 973 N LYS A 123 27.116 -3.092 -18.062 1.00 97.69 N +ATOM 974 CA LYS A 123 26.822 -2.471 -16.762 1.00 97.69 C +ATOM 975 C LYS A 123 25.441 -1.823 -16.715 1.00 97.69 C +ATOM 976 CB LYS A 123 27.914 -1.447 -16.405 1.00 97.69 C +ATOM 977 O LYS A 123 24.772 -1.942 -15.696 1.00 97.69 O +ATOM 978 CG LYS A 123 29.267 -2.079 -16.041 1.00 97.69 C +ATOM 979 CD LYS A 123 29.169 -2.942 -14.780 1.00 97.69 C +ATOM 980 CE LYS A 123 30.541 -3.470 -14.369 1.00 97.69 C +ATOM 981 NZ LYS A 123 30.393 -4.381 -13.208 1.00 97.69 N +ATOM 982 N GLU A 124 24.999 -1.201 -17.801 1.00 97.06 N +ATOM 983 CA GLU A 124 23.634 -0.686 -17.946 1.00 97.06 C +ATOM 984 C GLU A 124 22.604 -1.823 -17.866 1.00 97.06 C +ATOM 985 CB GLU A 124 23.513 0.067 -19.280 1.00 97.06 C +ATOM 986 O GLU A 124 21.633 -1.719 -17.117 1.00 97.06 O +ATOM 987 CG GLU A 124 24.245 1.421 -19.256 1.00 97.06 C +ATOM 988 CD GLU A 124 24.369 2.082 -20.640 1.00 97.06 C +ATOM 989 OE1 GLU A 124 24.881 3.225 -20.686 1.00 97.06 O +ATOM 990 OE2 GLU A 124 24.031 1.435 -21.659 1.00 97.06 O +ATOM 991 N GLY A 125 22.849 -2.946 -18.550 1.00 97.56 N +ATOM 992 CA GLY A 125 22.006 -4.142 -18.448 1.00 97.56 C +ATOM 993 C GLY A 125 21.957 -4.731 -17.032 1.00 97.56 C +ATOM 994 O GLY A 125 20.873 -5.007 -16.514 1.00 97.56 O +ATOM 995 N ASP A 126 23.113 -4.866 -16.375 1.00 97.75 N +ATOM 996 CA ASP A 126 23.213 -5.339 -14.988 1.00 97.75 C +ATOM 997 C ASP A 126 22.465 -4.404 -14.018 1.00 97.75 C +ATOM 998 CB ASP A 126 24.692 -5.448 -14.554 1.00 97.75 C +ATOM 999 O ASP A 126 21.780 -4.877 -13.108 1.00 97.75 O +ATOM 1000 CG ASP A 126 25.513 -6.577 -15.202 1.00 97.75 C +ATOM 1001 OD1 ASP A 126 24.918 -7.574 -15.666 1.00 97.75 O +ATOM 1002 OD2 ASP A 126 26.769 -6.474 -15.153 1.00 97.75 O +ATOM 1003 N LEU A 127 22.557 -3.083 -14.224 1.00 97.50 N +ATOM 1004 CA LEU A 127 21.861 -2.073 -13.425 1.00 97.50 C +ATOM 1005 C LEU A 127 20.342 -2.195 -13.571 1.00 97.50 C +ATOM 1006 CB LEU A 127 22.352 -0.670 -13.830 1.00 97.50 C +ATOM 1007 O LEU A 127 19.640 -2.217 -12.562 1.00 97.50 O +ATOM 1008 CG LEU A 127 21.665 0.486 -13.077 1.00 97.50 C +ATOM 1009 CD1 LEU A 127 21.993 0.470 -11.582 1.00 97.50 C +ATOM 1010 CD2 LEU A 127 22.120 1.825 -13.657 1.00 97.50 C +ATOM 1011 N ILE A 128 19.833 -2.326 -14.798 1.00 97.62 N +ATOM 1012 CA ILE A 128 18.398 -2.523 -15.054 1.00 97.62 C +ATOM 1013 C ILE A 128 17.913 -3.817 -14.384 1.00 97.62 C +ATOM 1014 CB ILE A 128 18.126 -2.515 -16.576 1.00 97.62 C +ATOM 1015 O ILE A 128 16.881 -3.821 -13.712 1.00 97.62 O +ATOM 1016 CG1 ILE A 128 18.377 -1.105 -17.161 1.00 97.62 C +ATOM 1017 CG2 ILE A 128 16.681 -2.955 -16.887 1.00 97.62 C +ATOM 1018 CD1 ILE A 128 18.474 -1.081 -18.692 1.00 97.62 C +ATOM 1019 N ALA A 129 18.677 -4.909 -14.493 1.00 97.38 N +ATOM 1020 CA ALA A 129 18.341 -6.181 -13.855 1.00 97.38 C +ATOM 1021 C ALA A 129 18.386 -6.114 -12.316 1.00 97.38 C +ATOM 1022 CB ALA A 129 19.298 -7.253 -14.388 1.00 97.38 C +ATOM 1023 O ALA A 129 17.629 -6.816 -11.642 1.00 97.38 O +ATOM 1024 N ALA A 130 19.274 -5.301 -11.740 1.00 96.75 N +ATOM 1025 CA ALA A 130 19.317 -5.048 -10.302 1.00 96.75 C +ATOM 1026 C ALA A 130 18.133 -4.180 -9.844 1.00 96.75 C +ATOM 1027 CB ALA A 130 20.665 -4.410 -9.950 1.00 96.75 C +ATOM 1028 O ALA A 130 17.521 -4.479 -8.823 1.00 96.75 O +ATOM 1029 N GLN A 131 17.763 -3.159 -10.621 1.00 97.44 N +ATOM 1030 CA GLN A 131 16.596 -2.314 -10.353 1.00 97.44 C +ATOM 1031 C GLN A 131 15.283 -3.102 -10.419 1.00 97.44 C +ATOM 1032 CB GLN A 131 16.553 -1.159 -11.360 1.00 97.44 C +ATOM 1033 O GLN A 131 14.419 -2.903 -9.571 1.00 97.44 O +ATOM 1034 CG GLN A 131 17.595 -0.071 -11.068 1.00 97.44 C +ATOM 1035 CD GLN A 131 17.613 1.015 -12.140 1.00 97.44 C +ATOM 1036 NE2 GLN A 131 18.227 2.147 -11.872 1.00 97.44 N +ATOM 1037 OE1 GLN A 131 17.070 0.890 -13.225 1.00 97.44 O +ATOM 1038 N ALA A 132 15.132 -4.014 -11.386 1.00 97.38 N +ATOM 1039 CA ALA A 132 13.975 -4.907 -11.456 1.00 97.38 C +ATOM 1040 C ALA A 132 13.885 -5.802 -10.209 1.00 97.38 C +ATOM 1041 CB ALA A 132 14.061 -5.724 -12.750 1.00 97.38 C +ATOM 1042 O ALA A 132 12.859 -5.817 -9.537 1.00 97.38 O +ATOM 1043 N ARG A 133 15.001 -6.440 -9.823 1.00 97.44 N +ATOM 1044 CA ARG A 133 15.077 -7.251 -8.596 1.00 97.44 C +ATOM 1045 C ARG A 133 14.758 -6.454 -7.332 1.00 97.44 C +ATOM 1046 CB ARG A 133 16.465 -7.894 -8.479 1.00 97.44 C +ATOM 1047 O ARG A 133 14.122 -6.984 -6.431 1.00 97.44 O +ATOM 1048 CG ARG A 133 16.578 -9.120 -9.390 1.00 97.44 C +ATOM 1049 CD ARG A 133 17.934 -9.819 -9.236 1.00 97.44 C +ATOM 1050 NE ARG A 133 18.906 -9.402 -10.264 1.00 97.44 N +ATOM 1051 NH1 ARG A 133 20.494 -10.983 -9.763 1.00 97.44 N +ATOM 1052 NH2 ARG A 133 20.781 -9.664 -11.540 1.00 97.44 N +ATOM 1053 CZ ARG A 133 20.052 -10.013 -10.518 1.00 97.44 C +ATOM 1054 N LEU A 134 15.194 -5.198 -7.256 1.00 97.12 N +ATOM 1055 CA LEU A 134 14.894 -4.322 -6.127 1.00 97.12 C +ATOM 1056 C LEU A 134 13.391 -4.021 -6.039 1.00 97.12 C +ATOM 1057 CB LEU A 134 15.785 -3.075 -6.230 1.00 97.12 C +ATOM 1058 O LEU A 134 12.821 -4.183 -4.966 1.00 97.12 O +ATOM 1059 CG LEU A 134 15.638 -2.108 -5.037 1.00 97.12 C +ATOM 1060 CD1 LEU A 134 17.000 -1.507 -4.683 1.00 97.12 C +ATOM 1061 CD2 LEU A 134 14.701 -0.955 -5.383 1.00 97.12 C +ATOM 1062 N LYS A 135 12.736 -3.700 -7.162 1.00 97.44 N +ATOM 1063 CA LYS A 135 11.275 -3.505 -7.209 1.00 97.44 C +ATOM 1064 C LYS A 135 10.503 -4.763 -6.798 1.00 97.44 C +ATOM 1065 CB LYS A 135 10.843 -3.074 -8.615 1.00 97.44 C +ATOM 1066 O LYS A 135 9.531 -4.663 -6.054 1.00 97.44 O +ATOM 1067 CG LYS A 135 11.272 -1.640 -8.942 1.00 97.44 C +ATOM 1068 CD LYS A 135 10.847 -1.296 -10.372 1.00 97.44 C +ATOM 1069 CE LYS A 135 11.266 0.137 -10.700 1.00 97.44 C +ATOM 1070 NZ LYS A 135 10.863 0.505 -12.078 1.00 97.44 N +ATOM 1071 N ASP A 136 10.946 -5.940 -7.240 1.00 97.31 N +ATOM 1072 CA ASP A 136 10.327 -7.215 -6.855 1.00 97.31 C +ATOM 1073 C ASP A 136 10.473 -7.479 -5.346 1.00 97.31 C +ATOM 1074 CB ASP A 136 10.953 -8.376 -7.646 1.00 97.31 C +ATOM 1075 O ASP A 136 9.524 -7.908 -4.687 1.00 97.31 O +ATOM 1076 CG ASP A 136 10.678 -8.348 -9.154 1.00 97.31 C +ATOM 1077 OD1 ASP A 136 9.660 -7.747 -9.566 1.00 97.31 O +ATOM 1078 OD2 ASP A 136 11.493 -8.962 -9.882 1.00 97.31 O +ATOM 1079 N LEU A 137 11.647 -7.187 -4.774 1.00 96.81 N +ATOM 1080 CA LEU A 137 11.896 -7.318 -3.336 1.00 96.81 C +ATOM 1081 C LEU A 137 11.090 -6.311 -2.507 1.00 96.81 C +ATOM 1082 CB LEU A 137 13.400 -7.178 -3.047 1.00 96.81 C +ATOM 1083 O LEU A 137 10.581 -6.684 -1.454 1.00 96.81 O +ATOM 1084 CG LEU A 137 14.246 -8.393 -3.467 1.00 96.81 C +ATOM 1085 CD1 LEU A 137 15.729 -8.058 -3.287 1.00 96.81 C +ATOM 1086 CD2 LEU A 137 13.940 -9.639 -2.632 1.00 96.81 C +ATOM 1087 N GLU A 138 10.925 -5.074 -2.977 1.00 97.31 N +ATOM 1088 CA GLU A 138 10.056 -4.074 -2.343 1.00 97.31 C +ATOM 1089 C GLU A 138 8.587 -4.522 -2.354 1.00 97.31 C +ATOM 1090 CB GLU A 138 10.189 -2.727 -3.069 1.00 97.31 C +ATOM 1091 O GLU A 138 7.906 -4.449 -1.331 1.00 97.31 O +ATOM 1092 CG GLU A 138 11.511 -2.007 -2.762 1.00 97.31 C +ATOM 1093 CD GLU A 138 11.697 -0.718 -3.582 1.00 97.31 C +ATOM 1094 OE1 GLU A 138 12.563 0.091 -3.180 1.00 97.31 O +ATOM 1095 OE2 GLU A 138 11.010 -0.543 -4.618 1.00 97.31 O +ATOM 1096 N ALA A 139 8.098 -5.053 -3.479 1.00 96.19 N +ATOM 1097 CA ALA A 139 6.745 -5.602 -3.569 1.00 96.19 C +ATOM 1098 C ALA A 139 6.549 -6.798 -2.620 1.00 96.19 C +ATOM 1099 CB ALA A 139 6.467 -5.980 -5.027 1.00 96.19 C +ATOM 1100 O ALA A 139 5.535 -6.884 -1.920 1.00 96.19 O +ATOM 1101 N LEU A 140 7.537 -7.698 -2.546 1.00 97.25 N +ATOM 1102 CA LEU A 140 7.526 -8.814 -1.603 1.00 97.25 C +ATOM 1103 C LEU A 140 7.545 -8.328 -0.151 1.00 97.25 C +ATOM 1104 CB LEU A 140 8.710 -9.755 -1.881 1.00 97.25 C +ATOM 1105 O LEU A 140 6.761 -8.839 0.647 1.00 97.25 O +ATOM 1106 CG LEU A 140 8.515 -10.665 -3.106 1.00 97.25 C +ATOM 1107 CD1 LEU A 140 9.835 -11.371 -3.422 1.00 97.25 C +ATOM 1108 CD2 LEU A 140 7.454 -11.742 -2.855 1.00 97.25 C +ATOM 1109 N LEU A 141 8.370 -7.338 0.194 1.00 97.00 N +ATOM 1110 CA LEU A 141 8.413 -6.759 1.536 1.00 97.00 C +ATOM 1111 C LEU A 141 7.052 -6.174 1.925 1.00 97.00 C +ATOM 1112 CB LEU A 141 9.531 -5.705 1.605 1.00 97.00 C +ATOM 1113 O LEU A 141 6.494 -6.585 2.939 1.00 97.00 O +ATOM 1114 CG LEU A 141 9.666 -5.031 2.984 1.00 97.00 C +ATOM 1115 CD1 LEU A 141 10.093 -6.027 4.066 1.00 97.00 C +ATOM 1116 CD2 LEU A 141 10.713 -3.922 2.906 1.00 97.00 C +ATOM 1117 N ASN A 142 6.466 -5.331 1.072 1.00 96.94 N +ATOM 1118 CA ASN A 142 5.140 -4.750 1.299 1.00 96.94 C +ATOM 1119 C ASN A 142 4.066 -5.837 1.487 1.00 96.94 C +ATOM 1120 CB ASN A 142 4.792 -3.843 0.106 1.00 96.94 C +ATOM 1121 O ASN A 142 3.214 -5.738 2.371 1.00 96.94 O +ATOM 1122 CG ASN A 142 5.616 -2.567 0.059 1.00 96.94 C +ATOM 1123 ND2 ASN A 142 5.807 -1.994 -1.104 1.00 96.94 N +ATOM 1124 OD1 ASN A 142 6.074 -2.044 1.053 1.00 96.94 O +ATOM 1125 N SER A 143 4.124 -6.918 0.698 1.00 96.94 N +ATOM 1126 CA SER A 143 3.202 -8.051 0.854 1.00 96.94 C +ATOM 1127 C SER A 143 3.376 -8.772 2.199 1.00 96.94 C +ATOM 1128 CB SER A 143 3.342 -9.031 -0.319 1.00 96.94 C +ATOM 1129 O SER A 143 2.391 -9.154 2.835 1.00 96.94 O +ATOM 1130 OG SER A 143 4.455 -9.898 -0.185 1.00 96.94 O +ATOM 1131 N LYS A 144 4.622 -8.931 2.669 1.00 96.81 N +ATOM 1132 CA LYS A 144 4.939 -9.560 3.958 1.00 96.81 C +ATOM 1133 C LYS A 144 4.555 -8.666 5.132 1.00 96.81 C +ATOM 1134 CB LYS A 144 6.431 -9.938 4.016 1.00 96.81 C +ATOM 1135 O LYS A 144 4.056 -9.185 6.124 1.00 96.81 O +ATOM 1136 CG LYS A 144 6.832 -11.076 3.063 1.00 96.81 C +ATOM 1137 CD LYS A 144 6.210 -12.425 3.440 1.00 96.81 C +ATOM 1138 CE LYS A 144 6.679 -13.490 2.446 1.00 96.81 C +ATOM 1139 NZ LYS A 144 6.003 -14.786 2.693 1.00 96.81 N +ATOM 1140 N GLU A 145 4.720 -7.353 5.017 1.00 97.75 N +ATOM 1141 CA GLU A 145 4.278 -6.381 6.022 1.00 97.75 C +ATOM 1142 C GLU A 145 2.750 -6.345 6.148 1.00 97.75 C +ATOM 1143 CB GLU A 145 4.816 -4.990 5.667 1.00 97.75 C +ATOM 1144 O GLU A 145 2.226 -6.371 7.263 1.00 97.75 O +ATOM 1145 CG GLU A 145 6.328 -4.883 5.914 1.00 97.75 C +ATOM 1146 CD GLU A 145 6.895 -3.498 5.570 1.00 97.75 C +ATOM 1147 OE1 GLU A 145 8.093 -3.295 5.869 1.00 97.75 O +ATOM 1148 OE2 GLU A 145 6.129 -2.655 5.053 1.00 97.75 O +ATOM 1149 N ALA A 146 2.019 -6.381 5.030 1.00 95.81 N +ATOM 1150 CA ALA A 146 0.559 -6.482 5.041 1.00 95.81 C +ATOM 1151 C ALA A 146 0.075 -7.802 5.676 1.00 95.81 C +ATOM 1152 CB ALA A 146 0.051 -6.317 3.604 1.00 95.81 C +ATOM 1153 O ALA A 146 -0.831 -7.798 6.516 1.00 95.81 O +ATOM 1154 N ALA A 147 0.714 -8.929 5.338 1.00 96.94 N +ATOM 1155 CA ALA A 147 0.437 -10.231 5.951 1.00 96.94 C +ATOM 1156 C ALA A 147 0.769 -10.255 7.458 1.00 96.94 C +ATOM 1157 CB ALA A 147 1.221 -11.305 5.191 1.00 96.94 C +ATOM 1158 O ALA A 147 0.049 -10.851 8.253 1.00 96.94 O +ATOM 1159 N LEU A 148 1.839 -9.576 7.879 1.00 97.38 N +ATOM 1160 CA LEU A 148 2.188 -9.451 9.292 1.00 97.38 C +ATOM 1161 C LEU A 148 1.174 -8.579 10.045 1.00 97.38 C +ATOM 1162 CB LEU A 148 3.617 -8.895 9.405 1.00 97.38 C +ATOM 1163 O LEU A 148 0.769 -8.931 11.148 1.00 97.38 O +ATOM 1164 CG LEU A 148 4.128 -8.771 10.851 1.00 97.38 C +ATOM 1165 CD1 LEU A 148 4.284 -10.135 11.528 1.00 97.38 C +ATOM 1166 CD2 LEU A 148 5.486 -8.071 10.855 1.00 97.38 C +ATOM 1167 N SER A 149 0.745 -7.458 9.462 1.00 97.38 N +ATOM 1168 CA SER A 149 -0.255 -6.566 10.061 1.00 97.38 C +ATOM 1169 C SER A 149 -1.598 -7.272 10.273 1.00 97.38 C +ATOM 1170 CB SER A 149 -0.435 -5.335 9.170 1.00 97.38 C +ATOM 1171 O SER A 149 -2.163 -7.210 11.368 1.00 97.38 O +ATOM 1172 OG SER A 149 -1.305 -4.413 9.793 1.00 97.38 O +ATOM 1173 N THR A 150 -2.063 -8.015 9.261 1.00 96.44 N +ATOM 1174 CA THR A 150 -3.278 -8.845 9.344 1.00 96.44 C +ATOM 1175 C THR A 150 -3.138 -9.924 10.417 1.00 96.44 C +ATOM 1176 CB THR A 150 -3.658 -9.465 7.990 1.00 96.44 C +ATOM 1177 O THR A 150 -3.942 -9.938 11.349 1.00 96.44 O +ATOM 1178 CG2 THR A 150 -4.197 -8.418 7.018 1.00 96.44 C +ATOM 1179 OG1 THR A 150 -2.537 -10.015 7.353 1.00 96.44 O +ATOM 1180 N ALA A 151 -2.054 -10.706 10.409 1.00 96.56 N +ATOM 1181 CA ALA A 151 -1.791 -11.719 11.437 1.00 96.56 C +ATOM 1182 C ALA A 151 -1.699 -11.132 12.862 1.00 96.56 C +ATOM 1183 CB ALA A 151 -0.496 -12.452 11.067 1.00 96.56 C +ATOM 1184 O ALA A 151 -2.171 -11.735 13.825 1.00 96.56 O +ATOM 1185 N LEU A 152 -1.123 -9.935 13.029 1.00 97.69 N +ATOM 1186 CA LEU A 152 -1.091 -9.243 14.322 1.00 97.69 C +ATOM 1187 C LEU A 152 -2.477 -8.756 14.756 1.00 97.69 C +ATOM 1188 CB LEU A 152 -0.112 -8.056 14.267 1.00 97.69 C +ATOM 1189 O LEU A 152 -2.757 -8.730 15.952 1.00 97.69 O +ATOM 1190 CG LEU A 152 1.380 -8.430 14.287 1.00 97.69 C +ATOM 1191 CD1 LEU A 152 2.207 -7.155 14.098 1.00 97.69 C +ATOM 1192 CD2 LEU A 152 1.800 -9.074 15.611 1.00 97.69 C +ATOM 1193 N SER A 153 -3.338 -8.338 13.825 1.00 97.00 N +ATOM 1194 CA SER A 153 -4.721 -7.966 14.144 1.00 97.00 C +ATOM 1195 C SER A 153 -5.554 -9.179 14.565 1.00 97.00 C +ATOM 1196 CB SER A 153 -5.360 -7.177 12.996 1.00 97.00 C +ATOM 1197 O SER A 153 -6.190 -9.121 15.613 1.00 97.00 O +ATOM 1198 OG SER A 153 -5.671 -7.956 11.864 1.00 97.00 O +ATOM 1199 N GLU A 154 -5.436 -10.299 13.848 1.00 97.69 N +ATOM 1200 CA GLU A 154 -6.082 -11.577 14.178 1.00 97.69 C +ATOM 1201 C GLU A 154 -5.592 -12.129 15.520 1.00 97.69 C +ATOM 1202 CB GLU A 154 -5.757 -12.600 13.084 1.00 97.69 C +ATOM 1203 O GLU A 154 -6.370 -12.604 16.344 1.00 97.69 O +ATOM 1204 CG GLU A 154 -6.444 -12.292 11.745 1.00 97.69 C +ATOM 1205 CD GLU A 154 -5.960 -13.205 10.607 1.00 97.69 C +ATOM 1206 OE1 GLU A 154 -6.420 -12.981 9.466 1.00 97.69 O +ATOM 1207 OE2 GLU A 154 -5.113 -14.094 10.865 1.00 97.69 O +ATOM 1208 N LYS A 155 -4.289 -12.010 15.798 1.00 97.69 N +ATOM 1209 CA LYS A 155 -3.741 -12.361 17.109 1.00 97.69 C +ATOM 1210 C LYS A 155 -4.413 -11.553 18.223 1.00 97.69 C +ATOM 1211 CB LYS A 155 -2.219 -12.183 17.089 1.00 97.69 C +ATOM 1212 O LYS A 155 -4.809 -12.135 19.226 1.00 97.69 O +ATOM 1213 CG LYS A 155 -1.625 -12.487 18.467 1.00 97.69 C +ATOM 1214 CD LYS A 155 -0.121 -12.224 18.524 1.00 97.69 C +ATOM 1215 CE LYS A 155 0.209 -12.204 20.014 1.00 97.69 C +ATOM 1216 NZ LYS A 155 1.627 -11.946 20.317 1.00 97.69 N +ATOM 1217 N ARG A 156 -4.553 -10.231 18.060 1.00 98.12 N +ATOM 1218 CA ARG A 156 -5.181 -9.365 19.076 1.00 98.12 C +ATOM 1219 C ARG A 156 -6.655 -9.709 19.292 1.00 98.12 C +ATOM 1220 CB ARG A 156 -5.051 -7.888 18.689 1.00 98.12 C +ATOM 1221 O ARG A 156 -7.107 -9.680 20.434 1.00 98.12 O +ATOM 1222 CG ARG A 156 -3.620 -7.352 18.812 1.00 98.12 C +ATOM 1223 CD ARG A 156 -3.579 -5.927 18.248 1.00 98.12 C +ATOM 1224 NE ARG A 156 -2.198 -5.449 18.029 1.00 98.12 N +ATOM 1225 NH1 ARG A 156 -2.254 -5.337 15.729 1.00 98.12 N +ATOM 1226 NH2 ARG A 156 -0.438 -4.652 16.819 1.00 98.12 N +ATOM 1227 CZ ARG A 156 -1.642 -5.151 16.865 1.00 98.12 C +ATOM 1228 N THR A 157 -7.398 -10.040 18.233 1.00 97.31 N +ATOM 1229 CA THR A 157 -8.805 -10.455 18.363 1.00 97.31 C +ATOM 1230 C THR A 157 -8.920 -11.784 19.104 1.00 97.31 C +ATOM 1231 CB THR A 157 -9.532 -10.522 17.009 1.00 97.31 C +ATOM 1232 O THR A 157 -9.681 -11.871 20.064 1.00 97.31 O +ATOM 1233 CG2 THR A 157 -9.646 -9.142 16.361 1.00 97.31 C +ATOM 1234 OG1 THR A 157 -8.853 -11.330 16.086 1.00 97.31 O +ATOM 1235 N LEU A 158 -8.094 -12.776 18.752 1.00 97.00 N +ATOM 1236 CA LEU A 158 -8.058 -14.073 19.439 1.00 97.00 C +ATOM 1237 C LEU A 158 -7.611 -13.951 20.905 1.00 97.00 C +ATOM 1238 CB LEU A 158 -7.119 -15.025 18.676 1.00 97.00 C +ATOM 1239 O LEU A 158 -8.134 -14.644 21.774 1.00 97.00 O +ATOM 1240 CG LEU A 158 -7.640 -15.486 17.302 1.00 97.00 C +ATOM 1241 CD1 LEU A 158 -6.536 -16.269 16.587 1.00 97.00 C +ATOM 1242 CD2 LEU A 158 -8.865 -16.393 17.421 1.00 97.00 C +ATOM 1243 N GLU A 159 -6.665 -13.061 21.212 1.00 97.75 N +ATOM 1244 CA GLU A 159 -6.263 -12.763 22.594 1.00 97.75 C +ATOM 1245 C GLU A 159 -7.417 -12.158 23.411 1.00 97.75 C +ATOM 1246 CB GLU A 159 -5.039 -11.828 22.604 1.00 97.75 C +ATOM 1247 O GLU A 159 -7.596 -12.532 24.573 1.00 97.75 O +ATOM 1248 CG GLU A 159 -3.730 -12.575 22.293 1.00 97.75 C +ATOM 1249 CD GLU A 159 -2.492 -11.665 22.174 1.00 97.75 C +ATOM 1250 OE1 GLU A 159 -1.364 -12.200 22.318 1.00 97.75 O +ATOM 1251 OE2 GLU A 159 -2.617 -10.453 21.884 1.00 97.75 O +ATOM 1252 N GLY A 160 -8.220 -11.276 22.805 1.00 97.44 N +ATOM 1253 CA GLY A 160 -9.438 -10.732 23.411 1.00 97.44 C +ATOM 1254 C GLY A 160 -10.486 -11.812 23.689 1.00 97.44 C +ATOM 1255 O GLY A 160 -10.944 -11.946 24.822 1.00 97.44 O +ATOM 1256 N GLU A 161 -10.787 -12.653 22.698 1.00 97.69 N +ATOM 1257 CA GLU A 161 -11.728 -13.774 22.845 1.00 97.69 C +ATOM 1258 C GLU A 161 -11.281 -14.766 23.928 1.00 97.69 C +ATOM 1259 CB GLU A 161 -11.855 -14.521 21.511 1.00 97.69 C +ATOM 1260 O GLU A 161 -12.086 -15.209 24.750 1.00 97.69 O +ATOM 1261 CG GLU A 161 -12.608 -13.720 20.439 1.00 97.69 C +ATOM 1262 CD GLU A 161 -12.595 -14.412 19.066 1.00 97.69 C +ATOM 1263 OE1 GLU A 161 -13.006 -13.748 18.088 1.00 97.69 O +ATOM 1264 OE2 GLU A 161 -12.181 -15.593 18.991 1.00 97.69 O +ATOM 1265 N LEU A 162 -9.984 -15.088 23.990 1.00 96.94 N +ATOM 1266 CA LEU A 162 -9.430 -15.934 25.047 1.00 96.94 C +ATOM 1267 C LEU A 162 -9.563 -15.293 26.432 1.00 96.94 C +ATOM 1268 CB LEU A 162 -7.950 -16.239 24.759 1.00 96.94 C +ATOM 1269 O LEU A 162 -9.805 -16.008 27.408 1.00 96.94 O +ATOM 1270 CG LEU A 162 -7.705 -17.309 23.682 1.00 96.94 C +ATOM 1271 CD1 LEU A 162 -6.197 -17.438 23.455 1.00 96.94 C +ATOM 1272 CD2 LEU A 162 -8.232 -18.685 24.106 1.00 96.94 C +ATOM 1273 N HIS A 163 -9.394 -13.975 26.546 1.00 97.25 N +ATOM 1274 CA HIS A 163 -9.600 -13.262 27.804 1.00 97.25 C +ATOM 1275 C HIS A 163 -11.068 -13.321 28.248 1.00 97.25 C +ATOM 1276 CB HIS A 163 -9.100 -11.819 27.670 1.00 97.25 C +ATOM 1277 O HIS A 163 -11.343 -13.674 29.398 1.00 97.25 O +ATOM 1278 CG HIS A 163 -9.206 -11.055 28.963 1.00 97.25 C +ATOM 1279 CD2 HIS A 163 -10.109 -10.070 29.263 1.00 97.25 C +ATOM 1280 ND1 HIS A 163 -8.436 -11.258 30.085 1.00 97.25 N +ATOM 1281 CE1 HIS A 163 -8.858 -10.412 31.037 1.00 97.25 C +ATOM 1282 NE2 HIS A 163 -9.870 -9.661 30.584 1.00 97.25 N +ATOM 1283 N ASP A 164 -12.004 -13.075 27.331 1.00 97.12 N +ATOM 1284 CA ASP A 164 -13.441 -13.120 27.605 1.00 97.12 C +ATOM 1285 C ASP A 164 -13.909 -14.529 27.982 1.00 97.12 C +ATOM 1286 CB ASP A 164 -14.219 -12.615 26.381 1.00 97.12 C +ATOM 1287 O ASP A 164 -14.633 -14.697 28.968 1.00 97.12 O +ATOM 1288 CG ASP A 164 -14.087 -11.106 26.156 1.00 97.12 C +ATOM 1289 OD1 ASP A 164 -13.794 -10.389 27.141 1.00 97.12 O +ATOM 1290 OD2 ASP A 164 -14.374 -10.678 25.019 1.00 97.12 O +ATOM 1291 N LEU A 165 -13.455 -15.557 27.257 1.00 96.69 N +ATOM 1292 CA LEU A 165 -13.756 -16.957 27.564 1.00 96.69 C +ATOM 1293 C LEU A 165 -13.198 -17.368 28.929 1.00 96.69 C +ATOM 1294 CB LEU A 165 -13.202 -17.870 26.457 1.00 96.69 C +ATOM 1295 O LEU A 165 -13.905 -18.003 29.709 1.00 96.69 O +ATOM 1296 CG LEU A 165 -14.008 -17.843 25.145 1.00 96.69 C +ATOM 1297 CD1 LEU A 165 -13.257 -18.648 24.084 1.00 96.69 C +ATOM 1298 CD2 LEU A 165 -15.401 -18.459 25.312 1.00 96.69 C +ATOM 1299 N ARG A 166 -11.968 -16.960 29.273 1.00 97.44 N +ATOM 1300 CA ARG A 166 -11.415 -17.174 30.624 1.00 97.44 C +ATOM 1301 C ARG A 166 -12.264 -16.488 31.693 1.00 97.44 C +ATOM 1302 CB ARG A 166 -9.970 -16.669 30.694 1.00 97.44 C +ATOM 1303 O ARG A 166 -12.536 -17.091 32.729 1.00 97.44 O +ATOM 1304 CG ARG A 166 -8.984 -17.632 30.024 1.00 97.44 C +ATOM 1305 CD ARG A 166 -7.607 -16.966 29.968 1.00 97.44 C +ATOM 1306 NE ARG A 166 -6.611 -17.828 29.309 1.00 97.44 N +ATOM 1307 NH1 ARG A 166 -4.824 -16.407 29.524 1.00 97.44 N +ATOM 1308 NH2 ARG A 166 -4.565 -18.352 28.460 1.00 97.44 N +ATOM 1309 CZ ARG A 166 -5.342 -17.527 29.103 1.00 97.44 C +ATOM 1310 N GLY A 167 -12.721 -15.263 31.437 1.00 97.31 N +ATOM 1311 CA GLY A 167 -13.630 -14.544 32.328 1.00 97.31 C +ATOM 1312 C GLY A 167 -14.979 -15.252 32.504 1.00 97.31 C +ATOM 1313 O GLY A 167 -15.505 -15.309 33.615 1.00 97.31 O +ATOM 1314 N GLN A 168 -15.535 -15.826 31.435 1.00 96.94 N +ATOM 1315 CA GLN A 168 -16.769 -16.615 31.490 1.00 96.94 C +ATOM 1316 C GLN A 168 -16.585 -17.913 32.282 1.00 96.94 C +ATOM 1317 CB GLN A 168 -17.266 -16.930 30.075 1.00 96.94 C +ATOM 1318 O GLN A 168 -17.421 -18.217 33.130 1.00 96.94 O +ATOM 1319 CG GLN A 168 -17.817 -15.693 29.353 1.00 96.94 C +ATOM 1320 CD GLN A 168 -18.183 -16.008 27.908 1.00 96.94 C +ATOM 1321 NE2 GLN A 168 -17.934 -15.112 26.979 1.00 96.94 N +ATOM 1322 OE1 GLN A 168 -18.714 -17.058 27.592 1.00 96.94 O +ATOM 1323 N VAL A 169 -15.481 -18.636 32.068 1.00 96.62 N +ATOM 1324 CA VAL A 169 -15.148 -19.842 32.842 1.00 96.62 C +ATOM 1325 C VAL A 169 -15.056 -19.512 34.332 1.00 96.62 C +ATOM 1326 CB VAL A 169 -13.859 -20.505 32.318 1.00 96.62 C +ATOM 1327 O VAL A 169 -15.743 -20.148 35.123 1.00 96.62 O +ATOM 1328 CG1 VAL A 169 -13.359 -21.629 33.234 1.00 96.62 C +ATOM 1329 CG2 VAL A 169 -14.103 -21.126 30.934 1.00 96.62 C +ATOM 1330 N ALA A 170 -14.330 -18.457 34.713 1.00 97.38 N +ATOM 1331 CA ALA A 170 -14.218 -18.043 36.114 1.00 97.38 C +ATOM 1332 C ALA A 170 -15.580 -17.678 36.745 1.00 97.38 C +ATOM 1333 CB ALA A 170 -13.239 -16.865 36.185 1.00 97.38 C +ATOM 1334 O ALA A 170 -15.858 -18.035 37.891 1.00 97.38 O +ATOM 1335 N LYS A 171 -16.465 -17.001 35.996 1.00 96.56 N +ATOM 1336 CA LYS A 171 -17.838 -16.698 36.450 1.00 96.56 C +ATOM 1337 C LYS A 171 -18.666 -17.966 36.657 1.00 96.56 C +ATOM 1338 CB LYS A 171 -18.551 -15.785 35.443 1.00 96.56 C +ATOM 1339 O LYS A 171 -19.375 -18.069 37.655 1.00 96.56 O +ATOM 1340 CG LYS A 171 -18.063 -14.332 35.495 1.00 96.56 C +ATOM 1341 CD LYS A 171 -18.697 -13.535 34.348 1.00 96.56 C +ATOM 1342 CE LYS A 171 -18.151 -12.105 34.326 1.00 96.56 C +ATOM 1343 NZ LYS A 171 -18.694 -11.334 33.180 1.00 96.56 N +ATOM 1344 N LEU A 172 -18.586 -18.919 35.727 1.00 96.81 N +ATOM 1345 CA LEU A 172 -19.306 -20.190 35.820 1.00 96.81 C +ATOM 1346 C LEU A 172 -18.778 -21.058 36.967 1.00 96.81 C +ATOM 1347 CB LEU A 172 -19.215 -20.938 34.479 1.00 96.81 C +ATOM 1348 O LEU A 172 -19.572 -21.679 37.668 1.00 96.81 O +ATOM 1349 CG LEU A 172 -20.031 -20.309 33.335 1.00 96.81 C +ATOM 1350 CD1 LEU A 172 -19.743 -21.063 32.037 1.00 96.81 C +ATOM 1351 CD2 LEU A 172 -21.539 -20.362 33.594 1.00 96.81 C +ATOM 1352 N GLU A 173 -17.468 -21.063 37.208 1.00 97.81 N +ATOM 1353 CA GLU A 173 -16.857 -21.740 38.355 1.00 97.81 C +ATOM 1354 C GLU A 173 -17.322 -21.137 39.687 1.00 97.81 C +ATOM 1355 CB GLU A 173 -15.329 -21.671 38.245 1.00 97.81 C +ATOM 1356 O GLU A 173 -17.682 -21.882 40.601 1.00 97.81 O +ATOM 1357 CG GLU A 173 -14.782 -22.624 37.171 1.00 97.81 C +ATOM 1358 CD GLU A 173 -13.260 -22.512 36.985 1.00 97.81 C +ATOM 1359 OE1 GLU A 173 -12.698 -23.445 36.368 1.00 97.81 O +ATOM 1360 OE2 GLU A 173 -12.665 -21.513 37.451 1.00 97.81 O +ATOM 1361 N ALA A 174 -17.394 -19.805 39.788 1.00 97.38 N +ATOM 1362 CA ALA A 174 -17.922 -19.124 40.969 1.00 97.38 C +ATOM 1363 C ALA A 174 -19.407 -19.449 41.206 1.00 97.38 C +ATOM 1364 CB ALA A 174 -17.685 -17.616 40.820 1.00 97.38 C +ATOM 1365 O ALA A 174 -19.782 -19.826 42.317 1.00 97.38 O +ATOM 1366 N ALA A 175 -20.235 -19.383 40.157 1.00 96.75 N +ATOM 1367 CA ALA A 175 -21.655 -19.728 40.231 1.00 96.75 C +ATOM 1368 C ALA A 175 -21.876 -21.203 40.607 1.00 96.75 C +ATOM 1369 CB ALA A 175 -22.302 -19.397 38.881 1.00 96.75 C +ATOM 1370 O ALA A 175 -22.753 -21.520 41.409 1.00 96.75 O +ATOM 1371 N LEU A 176 -21.052 -22.116 40.079 1.00 97.38 N +ATOM 1372 CA LEU A 176 -21.069 -23.527 40.461 1.00 97.38 C +ATOM 1373 C LEU A 176 -20.691 -23.714 41.936 1.00 97.38 C +ATOM 1374 CB LEU A 176 -20.114 -24.304 39.536 1.00 97.38 C +ATOM 1375 O LEU A 176 -21.316 -24.516 42.631 1.00 97.38 O +ATOM 1376 CG LEU A 176 -20.012 -25.806 39.854 1.00 97.38 C +ATOM 1377 CD1 LEU A 176 -21.336 -26.537 39.623 1.00 97.38 C +ATOM 1378 CD2 LEU A 176 -18.941 -26.455 38.979 1.00 97.38 C +ATOM 1379 N GLY A 177 -19.674 -22.995 42.419 1.00 97.69 N +ATOM 1380 CA GLY A 177 -19.279 -23.000 43.827 1.00 97.69 C +ATOM 1381 C GLY A 177 -20.402 -22.515 44.746 1.00 97.69 C +ATOM 1382 O GLY A 177 -20.698 -23.157 45.754 1.00 97.69 O +ATOM 1383 N GLU A 178 -21.079 -21.433 44.366 1.00 96.94 N +ATOM 1384 CA GLU A 178 -22.219 -20.893 45.104 1.00 96.94 C +ATOM 1385 C GLU A 178 -23.412 -21.858 45.110 1.00 96.94 C +ATOM 1386 CB GLU A 178 -22.591 -19.524 44.524 1.00 96.94 C +ATOM 1387 O GLU A 178 -23.948 -22.153 46.176 1.00 96.94 O +ATOM 1388 CG GLU A 178 -23.651 -18.844 45.396 1.00 96.94 C +ATOM 1389 CD GLU A 178 -23.981 -17.410 44.968 1.00 96.94 C +ATOM 1390 OE1 GLU A 178 -24.796 -16.804 45.701 1.00 96.94 O +ATOM 1391 OE2 GLU A 178 -23.434 -16.937 43.947 1.00 96.94 O +ATOM 1392 N ALA A 179 -23.777 -22.429 43.958 1.00 95.69 N +ATOM 1393 CA ALA A 179 -24.854 -23.413 43.861 1.00 95.69 C +ATOM 1394 C ALA A 179 -24.572 -24.667 44.708 1.00 95.69 C +ATOM 1395 CB ALA A 179 -25.048 -23.774 42.384 1.00 95.69 C +ATOM 1396 O ALA A 179 -25.469 -25.183 45.376 1.00 95.69 O +ATOM 1397 N LYS A 180 -23.316 -25.137 44.742 1.00 97.38 N +ATOM 1398 CA LYS A 180 -22.897 -26.234 45.631 1.00 97.38 C +ATOM 1399 C LYS A 180 -23.065 -25.868 47.105 1.00 97.38 C +ATOM 1400 CB LYS A 180 -21.441 -26.629 45.355 1.00 97.38 C +ATOM 1401 O LYS A 180 -23.576 -26.687 47.863 1.00 97.38 O +ATOM 1402 CG LYS A 180 -21.295 -27.493 44.098 1.00 97.38 C +ATOM 1403 CD LYS A 180 -19.813 -27.796 43.857 1.00 97.38 C +ATOM 1404 CE LYS A 180 -19.648 -28.686 42.623 1.00 97.38 C +ATOM 1405 NZ LYS A 180 -18.220 -29.009 42.382 1.00 97.38 N +ATOM 1406 N LYS A 181 -22.671 -24.656 47.508 1.00 97.75 N +ATOM 1407 CA LYS A 181 -22.848 -24.177 48.887 1.00 97.75 C +ATOM 1408 C LYS A 181 -24.329 -24.064 49.257 1.00 97.75 C +ATOM 1409 CB LYS A 181 -22.116 -22.841 49.059 1.00 97.75 C +ATOM 1410 O LYS A 181 -24.730 -24.551 50.305 1.00 97.75 O +ATOM 1411 CG LYS A 181 -22.204 -22.358 50.512 1.00 97.75 C +ATOM 1412 CD LYS A 181 -21.568 -20.980 50.676 1.00 97.75 C +ATOM 1413 CE LYS A 181 -21.847 -20.513 52.105 1.00 97.75 C +ATOM 1414 NZ LYS A 181 -21.365 -19.130 52.323 1.00 97.75 N +ATOM 1415 N GLN A 182 -25.151 -23.488 48.382 1.00 97.06 N +ATOM 1416 CA GLN A 182 -26.598 -23.384 48.592 1.00 97.06 C +ATOM 1417 C GLN A 182 -27.249 -24.764 48.741 1.00 97.06 C +ATOM 1418 CB GLN A 182 -27.241 -22.632 47.420 1.00 97.06 C +ATOM 1419 O GLN A 182 -28.079 -24.953 49.626 1.00 97.06 O +ATOM 1420 CG GLN A 182 -26.913 -21.129 47.399 1.00 97.06 C +ATOM 1421 CD GLN A 182 -27.488 -20.429 46.168 1.00 97.06 C +ATOM 1422 NE2 GLN A 182 -27.210 -19.158 45.966 1.00 97.06 N +ATOM 1423 OE1 GLN A 182 -28.202 -21.004 45.362 1.00 97.06 O +ATOM 1424 N LEU A 183 -26.838 -25.742 47.924 1.00 97.12 N +ATOM 1425 CA LEU A 183 -27.297 -27.125 48.044 1.00 97.12 C +ATOM 1426 C LEU A 183 -26.903 -27.740 49.394 1.00 97.12 C +ATOM 1427 CB LEU A 183 -26.740 -27.941 46.863 1.00 97.12 C +ATOM 1428 O LEU A 183 -27.732 -28.384 50.028 1.00 97.12 O +ATOM 1429 CG LEU A 183 -27.129 -29.431 46.888 1.00 97.12 C +ATOM 1430 CD1 LEU A 183 -28.639 -29.635 46.750 1.00 97.12 C +ATOM 1431 CD2 LEU A 183 -26.432 -30.160 45.739 1.00 97.12 C +ATOM 1432 N GLN A 184 -25.665 -27.529 49.847 1.00 97.81 N +ATOM 1433 CA GLN A 184 -25.205 -27.996 51.159 1.00 97.81 C +ATOM 1434 C GLN A 184 -26.003 -27.355 52.304 1.00 97.81 C +ATOM 1435 CB GLN A 184 -23.705 -27.706 51.317 1.00 97.81 C +ATOM 1436 O GLN A 184 -26.464 -28.068 53.192 1.00 97.81 O +ATOM 1437 CG GLN A 184 -22.836 -28.627 50.448 1.00 97.81 C +ATOM 1438 CD GLN A 184 -21.369 -28.206 50.409 1.00 97.81 C +ATOM 1439 NE2 GLN A 184 -20.488 -29.072 49.956 1.00 97.81 N +ATOM 1440 OE1 GLN A 184 -20.962 -27.114 50.765 1.00 97.81 O +ATOM 1441 N ASP A 185 -26.228 -26.040 52.260 1.00 97.12 N +ATOM 1442 CA ASP A 185 -27.009 -25.321 53.272 1.00 97.12 C +ATOM 1443 C ASP A 185 -28.474 -25.795 53.299 1.00 97.12 C +ATOM 1444 CB ASP A 185 -26.969 -23.805 52.998 1.00 97.12 C +ATOM 1445 O ASP A 185 -29.064 -25.956 54.365 1.00 97.12 O +ATOM 1446 CG ASP A 185 -25.618 -23.111 53.226 1.00 97.12 C +ATOM 1447 OD1 ASP A 185 -24.743 -23.681 53.909 1.00 97.12 O +ATOM 1448 OD2 ASP A 185 -25.504 -21.943 52.778 1.00 97.12 O +ATOM 1449 N GLU A 186 -29.077 -26.038 52.133 1.00 95.50 N +ATOM 1450 CA GLU A 186 -30.442 -26.559 52.016 1.00 95.50 C +ATOM 1451 C GLU A 186 -30.552 -28.007 52.509 1.00 95.50 C +ATOM 1452 CB GLU A 186 -30.895 -26.424 50.554 1.00 95.50 C +ATOM 1453 O GLU A 186 -31.512 -28.352 53.197 1.00 95.50 O +ATOM 1454 CG GLU A 186 -32.340 -26.868 50.295 1.00 95.50 C +ATOM 1455 CD GLU A 186 -33.403 -26.079 51.071 1.00 95.50 C +ATOM 1456 OE1 GLU A 186 -34.540 -26.613 51.095 1.00 95.50 O +ATOM 1457 OE2 GLU A 186 -33.089 -24.985 51.605 1.00 95.50 O +ATOM 1458 N MET A 187 -29.554 -28.847 52.222 1.00 95.81 N +ATOM 1459 CA MET A 187 -29.463 -30.193 52.790 1.00 95.81 C +ATOM 1460 C MET A 187 -29.405 -30.148 54.322 1.00 95.81 C +ATOM 1461 CB MET A 187 -28.226 -30.916 52.248 1.00 95.81 C +ATOM 1462 O MET A 187 -30.129 -30.900 54.967 1.00 95.81 O +ATOM 1463 CG MET A 187 -28.410 -31.465 50.830 1.00 95.81 C +ATOM 1464 SD MET A 187 -26.910 -32.126 50.032 1.00 95.81 S +ATOM 1465 CE MET A 187 -25.838 -32.532 51.443 1.00 95.81 C +ATOM 1466 N LEU A 188 -28.610 -29.245 54.908 1.00 96.56 N +ATOM 1467 CA LEU A 188 -28.553 -29.067 56.364 1.00 96.56 C +ATOM 1468 C LEU A 188 -29.901 -28.604 56.932 1.00 96.56 C +ATOM 1469 CB LEU A 188 -27.431 -28.078 56.730 1.00 96.56 C +ATOM 1470 O LEU A 188 -30.394 -29.195 57.890 1.00 96.56 O +ATOM 1471 CG LEU A 188 -26.004 -28.616 56.522 1.00 96.56 C +ATOM 1472 CD1 LEU A 188 -24.996 -27.486 56.741 1.00 96.56 C +ATOM 1473 CD2 LEU A 188 -25.665 -29.752 57.490 1.00 96.56 C +ATOM 1474 N ARG A 189 -30.554 -27.614 56.304 1.00 95.50 N +ATOM 1475 CA ARG A 189 -31.890 -27.153 56.727 1.00 95.50 C +ATOM 1476 C ARG A 189 -32.943 -28.256 56.652 1.00 95.50 C +ATOM 1477 CB ARG A 189 -32.358 -25.963 55.880 1.00 95.50 C +ATOM 1478 O ARG A 189 -33.811 -28.313 57.522 1.00 95.50 O +ATOM 1479 CG ARG A 189 -31.600 -24.676 56.209 1.00 95.50 C +ATOM 1480 CD ARG A 189 -32.190 -23.511 55.407 1.00 95.50 C +ATOM 1481 NE ARG A 189 -31.284 -22.347 55.434 1.00 95.50 N +ATOM 1482 NH1 ARG A 189 -30.297 -22.711 53.387 1.00 95.50 N +ATOM 1483 NH2 ARG A 189 -29.506 -21.113 54.724 1.00 95.50 N +ATOM 1484 CZ ARG A 189 -30.374 -22.063 54.516 1.00 95.50 C +ATOM 1485 N ARG A 190 -32.882 -29.118 55.633 1.00 95.44 N +ATOM 1486 CA ARG A 190 -33.779 -30.274 55.493 1.00 95.44 C +ATOM 1487 C ARG A 190 -33.563 -31.285 56.605 1.00 95.44 C +ATOM 1488 CB ARG A 190 -33.599 -30.935 54.125 1.00 95.44 C +ATOM 1489 O ARG A 190 -34.539 -31.648 57.249 1.00 95.44 O +ATOM 1490 CG ARG A 190 -34.310 -30.112 53.053 1.00 95.44 C +ATOM 1491 CD ARG A 190 -33.990 -30.663 51.670 1.00 95.44 C +ATOM 1492 NE ARG A 190 -34.694 -29.866 50.657 1.00 95.44 N +ATOM 1493 NH1 ARG A 190 -36.226 -31.443 49.968 1.00 95.44 N +ATOM 1494 NH2 ARG A 190 -36.215 -29.388 49.070 1.00 95.44 N +ATOM 1495 CZ ARG A 190 -35.704 -30.246 49.903 1.00 95.44 C +ATOM 1496 N VAL A 191 -32.314 -31.655 56.882 1.00 97.50 N +ATOM 1497 CA VAL A 191 -31.978 -32.564 57.989 1.00 97.50 C +ATOM 1498 C VAL A 191 -32.458 -31.993 59.330 1.00 97.50 C +ATOM 1499 CB VAL A 191 -30.465 -32.862 57.998 1.00 97.50 C +ATOM 1500 O VAL A 191 -33.097 -32.699 60.106 1.00 97.50 O +ATOM 1501 CG1 VAL A 191 -30.025 -33.637 59.246 1.00 97.50 C +ATOM 1502 CG2 VAL A 191 -30.070 -33.707 56.778 1.00 97.50 C +ATOM 1503 N ASP A 192 -32.247 -30.700 59.588 1.00 95.50 N +ATOM 1504 CA ASP A 192 -32.734 -30.043 60.809 1.00 95.50 C +ATOM 1505 C ASP A 192 -34.268 -30.046 60.912 1.00 95.50 C +ATOM 1506 CB ASP A 192 -32.253 -28.585 60.850 1.00 95.50 C +ATOM 1507 O ASP A 192 -34.826 -30.263 61.990 1.00 95.50 O +ATOM 1508 CG ASP A 192 -30.774 -28.400 61.190 1.00 95.50 C +ATOM 1509 OD1 ASP A 192 -30.154 -29.354 61.709 1.00 95.50 O +ATOM 1510 OD2 ASP A 192 -30.325 -27.243 61.021 1.00 95.50 O +ATOM 1511 N ALA A 193 -34.968 -29.786 59.805 1.00 94.38 N +ATOM 1512 CA ALA A 193 -36.427 -29.798 59.762 1.00 94.38 C +ATOM 1513 C ALA A 193 -36.998 -31.213 59.939 1.00 94.38 C +ATOM 1514 CB ALA A 193 -36.888 -29.162 58.447 1.00 94.38 C +ATOM 1515 O ALA A 193 -37.984 -31.380 60.655 1.00 94.38 O +ATOM 1516 N GLU A 194 -36.370 -32.222 59.335 1.00 96.38 N +ATOM 1517 CA GLU A 194 -36.717 -33.635 59.505 1.00 96.38 C +ATOM 1518 C GLU A 194 -36.528 -34.080 60.958 1.00 96.38 C +ATOM 1519 CB GLU A 194 -35.879 -34.502 58.550 1.00 96.38 C +ATOM 1520 O GLU A 194 -37.439 -34.679 61.527 1.00 96.38 O +ATOM 1521 CG GLU A 194 -36.391 -34.408 57.102 1.00 96.38 C +ATOM 1522 CD GLU A 194 -35.490 -35.112 56.071 1.00 96.38 C +ATOM 1523 OE1 GLU A 194 -35.808 -34.982 54.863 1.00 96.38 O +ATOM 1524 OE2 GLU A 194 -34.506 -35.773 56.468 1.00 96.38 O +ATOM 1525 N ASN A 195 -35.415 -33.697 61.594 1.00 95.94 N +ATOM 1526 CA ASN A 195 -35.168 -33.968 63.012 1.00 95.94 C +ATOM 1527 C ASN A 195 -36.240 -33.332 63.908 1.00 95.94 C +ATOM 1528 CB ASN A 195 -33.762 -33.471 63.389 1.00 95.94 C +ATOM 1529 O ASN A 195 -36.811 -34.012 64.755 1.00 95.94 O +ATOM 1530 CG ASN A 195 -32.649 -34.350 62.846 1.00 95.94 C +ATOM 1531 ND2 ASN A 195 -31.472 -33.804 62.653 1.00 95.94 N +ATOM 1532 OD1 ASN A 195 -32.797 -35.540 62.630 1.00 95.94 O +ATOM 1533 N ARG A 196 -36.582 -32.053 63.689 1.00 95.94 N +ATOM 1534 CA ARG A 196 -37.658 -31.382 64.446 1.00 95.94 C +ATOM 1535 C ARG A 196 -39.010 -32.052 64.232 1.00 95.94 C +ATOM 1536 CB ARG A 196 -37.765 -29.907 64.046 1.00 95.94 C +ATOM 1537 O ARG A 196 -39.761 -32.232 65.183 1.00 95.94 O +ATOM 1538 CG ARG A 196 -36.591 -29.070 64.560 1.00 95.94 C +ATOM 1539 CD ARG A 196 -36.703 -27.653 63.992 1.00 95.94 C +ATOM 1540 NE ARG A 196 -35.449 -26.904 64.186 1.00 95.94 N +ATOM 1541 NH1 ARG A 196 -35.468 -25.735 62.206 1.00 95.94 N +ATOM 1542 NH2 ARG A 196 -33.674 -25.643 63.527 1.00 95.94 N +ATOM 1543 CZ ARG A 196 -34.877 -26.095 63.312 1.00 95.94 C +ATOM 1544 N LEU A 197 -39.333 -32.421 62.995 1.00 94.50 N +ATOM 1545 CA LEU A 197 -40.585 -33.099 62.669 1.00 94.50 C +ATOM 1546 C LEU A 197 -40.665 -34.475 63.340 1.00 94.50 C +ATOM 1547 CB LEU A 197 -40.708 -33.153 61.139 1.00 94.50 C +ATOM 1548 O LEU A 197 -41.741 -34.860 63.794 1.00 94.50 O +ATOM 1549 CG LEU A 197 -42.018 -33.785 60.634 1.00 94.50 C +ATOM 1550 CD1 LEU A 197 -42.501 -33.065 59.375 1.00 94.50 C +ATOM 1551 CD2 LEU A 197 -41.833 -35.258 60.264 1.00 94.50 C +ATOM 1552 N GLN A 198 -39.545 -35.192 63.436 1.00 96.94 N +ATOM 1553 CA GLN A 198 -39.458 -36.446 64.175 1.00 96.94 C +ATOM 1554 C GLN A 198 -39.672 -36.231 65.680 1.00 96.94 C +ATOM 1555 CB GLN A 198 -38.119 -37.124 63.848 1.00 96.94 C +ATOM 1556 O GLN A 198 -40.509 -36.917 66.261 1.00 96.94 O +ATOM 1557 CG GLN A 198 -37.971 -38.502 64.502 1.00 96.94 C +ATOM 1558 CD GLN A 198 -39.024 -39.522 64.075 1.00 96.94 C +ATOM 1559 NE2 GLN A 198 -39.194 -40.555 64.867 1.00 96.94 N +ATOM 1560 OE1 GLN A 198 -39.699 -39.414 63.052 1.00 96.94 O +ATOM 1561 N THR A 199 -39.031 -35.226 66.287 1.00 96.25 N +ATOM 1562 CA THR A 199 -39.268 -34.861 67.696 1.00 96.25 C +ATOM 1563 C THR A 199 -40.744 -34.548 67.959 1.00 96.25 C +ATOM 1564 CB THR A 199 -38.408 -33.655 68.107 1.00 96.25 C +ATOM 1565 O THR A 199 -41.334 -35.107 68.876 1.00 96.25 O +ATOM 1566 CG2 THR A 199 -38.488 -33.354 69.600 1.00 96.25 C +ATOM 1567 OG1 THR A 199 -37.051 -33.899 67.815 1.00 96.25 O +ATOM 1568 N MET A 200 -41.387 -33.738 67.111 1.00 94.56 N +ATOM 1569 CA MET A 200 -42.808 -33.391 67.280 1.00 94.56 C +ATOM 1570 C MET A 200 -43.740 -34.599 67.102 1.00 94.56 C +ATOM 1571 CB MET A 200 -43.209 -32.286 66.290 1.00 94.56 C +ATOM 1572 O MET A 200 -44.791 -34.666 67.739 1.00 94.56 O +ATOM 1573 CG MET A 200 -42.468 -30.962 66.518 1.00 94.56 C +ATOM 1574 SD MET A 200 -42.776 -30.118 68.087 1.00 94.56 S +ATOM 1575 CE MET A 200 -44.267 -29.171 67.708 1.00 94.56 C +ATOM 1576 N LYS A 201 -43.385 -35.566 66.243 1.00 94.62 N +ATOM 1577 CA LYS A 201 -44.127 -36.833 66.124 1.00 94.62 C +ATOM 1578 C LYS A 201 -44.025 -37.657 67.403 1.00 94.62 C +ATOM 1579 CB LYS A 201 -43.607 -37.663 64.946 1.00 94.62 C +ATOM 1580 O LYS A 201 -45.046 -38.130 67.891 1.00 94.62 O +ATOM 1581 CG LYS A 201 -44.139 -37.188 63.593 1.00 94.62 C +ATOM 1582 CD LYS A 201 -43.427 -37.997 62.507 1.00 94.62 C +ATOM 1583 CE LYS A 201 -44.000 -37.693 61.128 1.00 94.62 C +ATOM 1584 NZ LYS A 201 -43.166 -38.346 60.092 1.00 94.62 N +ATOM 1585 N GLU A 202 -42.819 -37.793 67.948 1.00 94.00 N +ATOM 1586 CA GLU A 202 -42.572 -38.517 69.199 1.00 94.00 C +ATOM 1587 C GLU A 202 -43.301 -37.860 70.381 1.00 94.00 C +ATOM 1588 CB GLU A 202 -41.056 -38.607 69.446 1.00 94.00 C +ATOM 1589 O GLU A 202 -43.945 -38.555 71.166 1.00 94.00 O +ATOM 1590 CG GLU A 202 -40.380 -39.565 68.449 1.00 94.00 C +ATOM 1591 CD GLU A 202 -38.844 -39.519 68.464 1.00 94.00 C +ATOM 1592 OE1 GLU A 202 -38.266 -40.141 67.537 1.00 94.00 O +ATOM 1593 OE2 GLU A 202 -38.256 -38.880 69.365 1.00 94.00 O +ATOM 1594 N GLU A 203 -43.294 -36.527 70.466 1.00 95.00 N +ATOM 1595 CA GLU A 203 -44.056 -35.767 71.465 1.00 95.00 C +ATOM 1596 C GLU A 203 -45.569 -35.966 71.322 1.00 95.00 C +ATOM 1597 CB GLU A 203 -43.747 -34.271 71.337 1.00 95.00 C +ATOM 1598 O GLU A 203 -46.265 -36.187 72.316 1.00 95.00 O +ATOM 1599 CG GLU A 203 -42.357 -33.893 71.868 1.00 95.00 C +ATOM 1600 CD GLU A 203 -42.033 -32.401 71.672 1.00 95.00 C +ATOM 1601 OE1 GLU A 203 -40.888 -32.015 72.000 1.00 95.00 O +ATOM 1602 OE2 GLU A 203 -42.930 -31.644 71.232 1.00 95.00 O +ATOM 1603 N LEU A 204 -46.092 -35.922 70.093 1.00 92.88 N +ATOM 1604 CA LEU A 204 -47.515 -36.128 69.832 1.00 92.88 C +ATOM 1605 C LEU A 204 -47.955 -37.544 70.218 1.00 92.88 C +ATOM 1606 CB LEU A 204 -47.793 -35.841 68.346 1.00 92.88 C +ATOM 1607 O LEU A 204 -49.016 -37.722 70.818 1.00 92.88 O +ATOM 1608 CG LEU A 204 -49.267 -36.022 67.952 1.00 92.88 C +ATOM 1609 CD1 LEU A 204 -50.183 -35.004 68.632 1.00 92.88 C +ATOM 1610 CD2 LEU A 204 -49.433 -35.888 66.438 1.00 92.88 C +ATOM 1611 N ASP A 205 -47.162 -38.557 69.880 1.00 93.69 N +ATOM 1612 CA ASP A 205 -47.477 -39.942 70.222 1.00 93.69 C +ATOM 1613 C ASP A 205 -47.346 -40.193 71.732 1.00 93.69 C +ATOM 1614 CB ASP A 205 -46.636 -40.894 69.362 1.00 93.69 C +ATOM 1615 O ASP A 205 -48.182 -40.888 72.315 1.00 93.69 O +ATOM 1616 CG ASP A 205 -47.066 -40.899 67.882 1.00 93.69 C +ATOM 1617 OD1 ASP A 205 -48.242 -40.537 67.570 1.00 93.69 O +ATOM 1618 OD2 ASP A 205 -46.240 -41.332 67.049 1.00 93.69 O +ATOM 1619 N PHE A 206 -46.390 -39.545 72.404 1.00 94.12 N +ATOM 1620 CA PHE A 206 -46.305 -39.536 73.864 1.00 94.12 C +ATOM 1621 C PHE A 206 -47.545 -38.901 74.515 1.00 94.12 C +ATOM 1622 CB PHE A 206 -45.016 -38.824 74.283 1.00 94.12 C +ATOM 1623 O PHE A 206 -48.144 -39.506 75.406 1.00 94.12 O +ATOM 1624 CG PHE A 206 -44.827 -38.734 75.782 1.00 94.12 C +ATOM 1625 CD1 PHE A 206 -44.970 -37.499 76.441 1.00 94.12 C +ATOM 1626 CD2 PHE A 206 -44.500 -39.888 76.517 1.00 94.12 C +ATOM 1627 CE1 PHE A 206 -44.750 -37.415 77.826 1.00 94.12 C +ATOM 1628 CE2 PHE A 206 -44.307 -39.809 77.907 1.00 94.12 C +ATOM 1629 CZ PHE A 206 -44.423 -38.570 78.560 1.00 94.12 C +ATOM 1630 N GLN A 207 -47.990 -37.735 74.036 1.00 95.25 N +ATOM 1631 CA GLN A 207 -49.206 -37.075 74.526 1.00 95.25 C +ATOM 1632 C GLN A 207 -50.456 -37.931 74.305 1.00 95.25 C +ATOM 1633 CB GLN A 207 -49.398 -35.725 73.825 1.00 95.25 C +ATOM 1634 O GLN A 207 -51.254 -38.098 75.225 1.00 95.25 O +ATOM 1635 CG GLN A 207 -48.447 -34.640 74.343 1.00 95.25 C +ATOM 1636 CD GLN A 207 -48.618 -33.322 73.593 1.00 95.25 C +ATOM 1637 NE2 GLN A 207 -47.811 -32.330 73.892 1.00 95.25 N +ATOM 1638 OE1 GLN A 207 -49.472 -33.148 72.737 1.00 95.25 O +ATOM 1639 N LYS A 208 -50.622 -38.530 73.116 1.00 92.12 N +ATOM 1640 CA LYS A 208 -51.729 -39.465 72.847 1.00 92.12 C +ATOM 1641 C LYS A 208 -51.735 -40.623 73.839 1.00 92.12 C +ATOM 1642 CB LYS A 208 -51.610 -40.055 71.443 1.00 92.12 C +ATOM 1643 O LYS A 208 -52.803 -41.003 74.315 1.00 92.12 O +ATOM 1644 CG LYS A 208 -52.005 -39.095 70.316 1.00 92.12 C +ATOM 1645 CD LYS A 208 -51.653 -39.802 69.005 1.00 92.12 C +ATOM 1646 CE LYS A 208 -51.712 -38.883 67.792 1.00 92.12 C +ATOM 1647 NZ LYS A 208 -50.799 -39.424 66.752 1.00 92.12 N +ATOM 1648 N ASN A 209 -50.565 -41.173 74.157 1.00 91.44 N +ATOM 1649 CA ASN A 209 -50.453 -42.268 75.112 1.00 91.44 C +ATOM 1650 C ASN A 209 -50.859 -41.822 76.521 1.00 91.44 C +ATOM 1651 CB ASN A 209 -49.038 -42.859 75.055 1.00 91.44 C +ATOM 1652 O ASN A 209 -51.671 -42.515 77.136 1.00 91.44 O +ATOM 1653 CG ASN A 209 -48.778 -43.628 73.771 1.00 91.44 C +ATOM 1654 ND2 ASN A 209 -47.530 -43.879 73.458 1.00 91.44 N +ATOM 1655 OD1 ASN A 209 -49.676 -44.048 73.058 1.00 91.44 O +ATOM 1656 N ILE A 210 -50.392 -40.652 76.980 1.00 93.62 N +ATOM 1657 CA ILE A 210 -50.806 -40.055 78.262 1.00 93.62 C +ATOM 1658 C ILE A 210 -52.321 -39.891 78.307 1.00 93.62 C +ATOM 1659 CB ILE A 210 -50.105 -38.701 78.522 1.00 93.62 C +ATOM 1660 O ILE A 210 -52.963 -40.451 79.190 1.00 93.62 O +ATOM 1661 CG1 ILE A 210 -48.618 -38.948 78.840 1.00 93.62 C +ATOM 1662 CG2 ILE A 210 -50.776 -37.953 79.696 1.00 93.62 C +ATOM 1663 CD1 ILE A 210 -47.781 -37.667 78.834 1.00 93.62 C +ATOM 1664 N TYR A 211 -52.907 -39.202 77.326 1.00 89.75 N +ATOM 1665 CA TYR A 211 -54.349 -38.973 77.310 1.00 89.75 C +ATOM 1666 C TYR A 211 -55.131 -40.280 77.237 1.00 89.75 C +ATOM 1667 CB TYR A 211 -54.729 -38.063 76.137 1.00 89.75 C +ATOM 1668 O TYR A 211 -56.176 -40.401 77.866 1.00 89.75 O +ATOM 1669 CG TYR A 211 -54.202 -36.646 76.234 1.00 89.75 C +ATOM 1670 CD1 TYR A 211 -54.328 -35.926 77.438 1.00 89.75 C +ATOM 1671 CD2 TYR A 211 -53.603 -36.036 75.114 1.00 89.75 C +ATOM 1672 CE1 TYR A 211 -53.839 -34.613 77.535 1.00 89.75 C +ATOM 1673 CE2 TYR A 211 -53.123 -34.715 75.202 1.00 89.75 C +ATOM 1674 OH TYR A 211 -52.770 -32.734 76.506 1.00 89.75 O +ATOM 1675 CZ TYR A 211 -53.238 -34.005 76.415 1.00 89.75 C +ATOM 1676 N SER A 212 -54.635 -41.288 76.514 1.00 91.19 N +ATOM 1677 CA SER A 212 -55.281 -42.600 76.474 1.00 91.19 C +ATOM 1678 C SER A 212 -55.282 -43.293 77.841 1.00 91.19 C +ATOM 1679 CB SER A 212 -54.653 -43.489 75.394 1.00 91.19 C +ATOM 1680 O SER A 212 -56.284 -43.913 78.201 1.00 91.19 O +ATOM 1681 OG SER A 212 -53.478 -44.158 75.819 1.00 91.19 O +ATOM 1682 N GLU A 213 -54.201 -43.165 78.615 1.00 86.00 N +ATOM 1683 CA GLU A 213 -54.106 -43.709 79.971 1.00 86.00 C +ATOM 1684 C GLU A 213 -54.967 -42.920 80.955 1.00 86.00 C +ATOM 1685 CB GLU A 213 -52.639 -43.770 80.435 1.00 86.00 C +ATOM 1686 O GLU A 213 -55.740 -43.523 81.697 1.00 86.00 O +ATOM 1687 CG GLU A 213 -51.892 -44.990 79.875 1.00 86.00 C +ATOM 1688 CD GLU A 213 -52.603 -46.309 80.230 1.00 86.00 C +ATOM 1689 OE1 GLU A 213 -52.943 -47.066 79.287 1.00 86.00 O +ATOM 1690 OE2 GLU A 213 -52.946 -46.529 81.413 1.00 86.00 O +ATOM 1691 N GLU A 214 -54.951 -41.589 80.887 1.00 86.25 N +ATOM 1692 CA GLU A 214 -55.839 -40.732 81.678 1.00 86.25 C +ATOM 1693 C GLU A 214 -57.316 -41.044 81.394 1.00 86.25 C +ATOM 1694 CB GLU A 214 -55.565 -39.257 81.359 1.00 86.25 C +ATOM 1695 O GLU A 214 -58.133 -41.145 82.314 1.00 86.25 O +ATOM 1696 CG GLU A 214 -54.213 -38.757 81.892 1.00 86.25 C +ATOM 1697 CD GLU A 214 -53.953 -37.280 81.551 1.00 86.25 C +ATOM 1698 OE1 GLU A 214 -52.963 -36.735 82.086 1.00 86.25 O +ATOM 1699 OE2 GLU A 214 -54.747 -36.695 80.777 1.00 86.25 O +ATOM 1700 N LEU A 215 -57.682 -41.274 80.127 1.00 81.38 N +ATOM 1701 CA LEU A 215 -59.043 -41.654 79.751 1.00 81.38 C +ATOM 1702 C LEU A 215 -59.414 -43.049 80.275 1.00 81.38 C +ATOM 1703 CB LEU A 215 -59.242 -41.567 78.228 1.00 81.38 C +ATOM 1704 O LEU A 215 -60.549 -43.270 80.696 1.00 81.38 O +ATOM 1705 CG LEU A 215 -60.613 -40.976 77.864 1.00 81.38 C +ATOM 1706 CD1 LEU A 215 -60.594 -39.448 77.963 1.00 81.38 C +ATOM 1707 CD2 LEU A 215 -60.990 -41.359 76.433 1.00 81.38 C +ATOM 1708 N ARG A 216 -58.478 -44.008 80.270 1.00 82.25 N +ATOM 1709 CA ARG A 216 -58.700 -45.331 80.882 1.00 82.25 C +ATOM 1710 C ARG A 216 -58.876 -45.214 82.392 1.00 82.25 C +ATOM 1711 CB ARG A 216 -57.542 -46.291 80.567 1.00 82.25 C +ATOM 1712 O ARG A 216 -59.737 -45.889 82.955 1.00 82.25 O +ATOM 1713 CG ARG A 216 -57.606 -46.866 79.149 1.00 82.25 C +ATOM 1714 CD ARG A 216 -56.453 -47.857 78.941 1.00 82.25 C +ATOM 1715 NE ARG A 216 -56.315 -48.221 77.518 1.00 82.25 N +ATOM 1716 NH1 ARG A 216 -54.526 -46.836 77.034 1.00 82.25 N +ATOM 1717 NH2 ARG A 216 -55.572 -47.902 75.391 1.00 82.25 N +ATOM 1718 CZ ARG A 216 -55.472 -47.652 76.667 1.00 82.25 C +ATOM 1719 N GLU A 217 -58.094 -44.368 83.050 1.00 78.12 N +ATOM 1720 CA GLU A 217 -58.161 -44.177 84.495 1.00 78.12 C +ATOM 1721 C GLU A 217 -59.457 -43.475 84.918 1.00 78.12 C +ATOM 1722 CB GLU A 217 -56.926 -43.398 84.972 1.00 78.12 C +ATOM 1723 O GLU A 217 -60.137 -43.910 85.849 1.00 78.12 O +ATOM 1724 CG GLU A 217 -56.435 -43.987 86.297 1.00 78.12 C +ATOM 1725 CD GLU A 217 -55.424 -43.098 87.023 1.00 78.12 C +ATOM 1726 OE1 GLU A 217 -55.271 -43.342 88.243 1.00 78.12 O +ATOM 1727 OE2 GLU A 217 -54.983 -42.072 86.471 1.00 78.12 O +ATOM 1728 N THR A 218 -59.856 -42.431 84.190 1.00 80.44 N +ATOM 1729 CA THR A 218 -61.126 -41.728 84.417 1.00 80.44 C +ATOM 1730 C THR A 218 -62.329 -42.628 84.149 1.00 80.44 C +ATOM 1731 CB THR A 218 -61.238 -40.440 83.591 1.00 80.44 C +ATOM 1732 O THR A 218 -63.232 -42.666 84.985 1.00 80.44 O +ATOM 1733 CG2 THR A 218 -60.279 -39.353 84.070 1.00 80.44 C +ATOM 1734 OG1 THR A 218 -60.948 -40.697 82.249 1.00 80.44 O +ATOM 1735 N LYS A 219 -62.331 -43.428 83.070 1.00 77.69 N +ATOM 1736 CA LYS A 219 -63.389 -44.425 82.809 1.00 77.69 C +ATOM 1737 C LYS A 219 -63.529 -45.429 83.954 1.00 77.69 C +ATOM 1738 CB LYS A 219 -63.153 -45.140 81.471 1.00 77.69 C +ATOM 1739 O LYS A 219 -64.637 -45.605 84.452 1.00 77.69 O +ATOM 1740 CG LYS A 219 -63.581 -44.259 80.290 1.00 77.69 C +ATOM 1741 CD LYS A 219 -63.281 -44.948 78.955 1.00 77.69 C +ATOM 1742 CE LYS A 219 -63.712 -44.032 77.806 1.00 77.69 C +ATOM 1743 NZ LYS A 219 -63.546 -44.689 76.487 1.00 77.69 N +ATOM 1744 N ARG A 220 -62.418 -45.977 84.465 1.00 68.94 N +ATOM 1745 CA ARG A 220 -62.433 -46.864 85.646 1.00 68.94 C +ATOM 1746 C ARG A 220 -63.012 -46.173 86.886 1.00 68.94 C +ATOM 1747 CB ARG A 220 -61.018 -47.385 85.936 1.00 68.94 C +ATOM 1748 O ARG A 220 -63.794 -46.772 87.612 1.00 68.94 O +ATOM 1749 CG ARG A 220 -60.558 -48.441 84.922 1.00 68.94 C +ATOM 1750 CD ARG A 220 -59.109 -48.839 85.224 1.00 68.94 C +ATOM 1751 NE ARG A 220 -58.589 -49.805 84.234 1.00 68.94 N +ATOM 1752 NH1 ARG A 220 -56.687 -48.658 83.594 1.00 68.94 N +ATOM 1753 NH2 ARG A 220 -57.115 -50.663 82.728 1.00 68.94 N +ATOM 1754 CZ ARG A 220 -57.473 -49.699 83.529 1.00 68.94 C +ATOM 1755 N ARG A 221 -62.681 -44.896 87.121 1.00 62.12 N +ATOM 1756 CA ARG A 221 -63.219 -44.107 88.253 1.00 62.12 C +ATOM 1757 C ARG A 221 -64.710 -43.775 88.116 1.00 62.12 C +ATOM 1758 CB ARG A 221 -62.418 -42.804 88.413 1.00 62.12 C +ATOM 1759 O ARG A 221 -65.365 -43.514 89.127 1.00 62.12 O +ATOM 1760 CG ARG A 221 -60.987 -43.009 88.934 1.00 62.12 C +ATOM 1761 CD ARG A 221 -60.237 -41.669 88.909 1.00 62.12 C +ATOM 1762 NE ARG A 221 -58.798 -41.817 89.208 1.00 62.12 N +ATOM 1763 NH1 ARG A 221 -58.159 -39.672 88.681 1.00 62.12 N +ATOM 1764 NH2 ARG A 221 -56.606 -41.163 89.207 1.00 62.12 N +ATOM 1765 CZ ARG A 221 -57.865 -40.891 89.041 1.00 62.12 C +ATOM 1766 N HIS A 222 -65.233 -43.698 86.894 1.00 61.81 N +ATOM 1767 CA HIS A 222 -66.647 -43.424 86.638 1.00 61.81 C +ATOM 1768 C HIS A 222 -67.502 -44.692 86.685 1.00 61.81 C +ATOM 1769 CB HIS A 222 -66.810 -42.637 85.332 1.00 61.81 C +ATOM 1770 O HIS A 222 -68.570 -44.641 87.292 1.00 61.81 O +ATOM 1771 CG HIS A 222 -66.438 -41.185 85.503 1.00 61.81 C +ATOM 1772 CD2 HIS A 222 -65.456 -40.496 84.844 1.00 61.81 C +ATOM 1773 ND1 HIS A 222 -67.052 -40.296 86.357 1.00 61.81 N +ATOM 1774 CE1 HIS A 222 -66.456 -39.101 86.213 1.00 61.81 C +ATOM 1775 NE2 HIS A 222 -65.454 -39.184 85.330 1.00 61.81 N +ATOM 1776 N GLU A 223 -67.013 -45.827 86.174 1.00 60.09 N +ATOM 1777 CA GLU A 223 -67.685 -47.128 86.324 1.00 60.09 C +ATOM 1778 C GLU A 223 -67.911 -47.491 87.800 1.00 60.09 C +ATOM 1779 CB GLU A 223 -66.891 -48.229 85.596 1.00 60.09 C +ATOM 1780 O GLU A 223 -68.992 -47.950 88.155 1.00 60.09 O +ATOM 1781 CG GLU A 223 -67.273 -48.289 84.108 1.00 60.09 C +ATOM 1782 CD GLU A 223 -66.434 -49.281 83.283 1.00 60.09 C +ATOM 1783 OE1 GLU A 223 -66.915 -49.670 82.194 1.00 60.09 O +ATOM 1784 OE2 GLU A 223 -65.288 -49.588 83.690 1.00 60.09 O +ATOM 1785 N THR A 224 -66.968 -47.173 88.696 1.00 50.25 N +ATOM 1786 CA THR A 224 -67.146 -47.411 90.142 1.00 50.25 C +ATOM 1787 C THR A 224 -68.182 -46.489 90.803 1.00 50.25 C +ATOM 1788 CB THR A 224 -65.799 -47.294 90.877 1.00 50.25 C +ATOM 1789 O THR A 224 -68.729 -46.840 91.842 1.00 50.25 O +ATOM 1790 CG2 THR A 224 -65.816 -47.843 92.303 1.00 50.25 C +ATOM 1791 OG1 THR A 224 -64.817 -48.040 90.203 1.00 50.25 O +ATOM 1792 N ARG A 225 -68.477 -45.306 90.243 1.00 48.25 N +ATOM 1793 CA ARG A 225 -69.376 -44.313 90.876 1.00 48.25 C +ATOM 1794 C ARG A 225 -70.827 -44.362 90.397 1.00 48.25 C +ATOM 1795 CB ARG A 225 -68.784 -42.897 90.753 1.00 48.25 C +ATOM 1796 O ARG A 225 -71.669 -43.712 91.006 1.00 48.25 O +ATOM 1797 CG ARG A 225 -67.747 -42.643 91.856 1.00 48.25 C +ATOM 1798 CD ARG A 225 -67.258 -41.190 91.872 1.00 48.25 C +ATOM 1799 NE ARG A 225 -66.363 -40.896 90.737 1.00 48.25 N +ATOM 1800 NH1 ARG A 225 -65.827 -38.749 91.356 1.00 48.25 N +ATOM 1801 NH2 ARG A 225 -64.992 -39.599 89.465 1.00 48.25 N +ATOM 1802 CZ ARG A 225 -65.731 -39.755 90.527 1.00 48.25 C +ATOM 1803 N LEU A 226 -71.135 -45.093 89.327 1.00 44.75 N +ATOM 1804 CA LEU A 226 -72.446 -45.021 88.669 1.00 44.75 C +ATOM 1805 C LEU A 226 -73.533 -45.936 89.261 1.00 44.75 C +ATOM 1806 CB LEU A 226 -72.257 -45.187 87.143 1.00 44.75 C +ATOM 1807 O LEU A 226 -74.675 -45.832 88.842 1.00 44.75 O +ATOM 1808 CG LEU A 226 -72.653 -43.926 86.340 1.00 44.75 C +ATOM 1809 CD1 LEU A 226 -71.560 -43.549 85.337 1.00 44.75 C +ATOM 1810 CD2 LEU A 226 -73.960 -44.136 85.578 1.00 44.75 C +ATOM 1811 N VAL A 227 -73.236 -46.780 90.257 1.00 45.91 N +ATOM 1812 CA VAL A 227 -74.260 -47.649 90.886 1.00 45.91 C +ATOM 1813 C VAL A 227 -75.086 -46.922 91.961 1.00 45.91 C +ATOM 1814 CB VAL A 227 -73.623 -48.969 91.378 1.00 45.91 C +ATOM 1815 O VAL A 227 -76.127 -47.413 92.391 1.00 45.91 O +ATOM 1816 CG1 VAL A 227 -74.596 -49.923 92.086 1.00 45.91 C +ATOM 1817 CG2 VAL A 227 -73.047 -49.744 90.181 1.00 45.91 C +ATOM 1818 N GLU A 228 -74.695 -45.717 92.377 1.00 39.16 N +ATOM 1819 CA GLU A 228 -75.362 -45.007 93.466 1.00 39.16 C +ATOM 1820 C GLU A 228 -76.000 -43.692 92.972 1.00 39.16 C +ATOM 1821 CB GLU A 228 -74.392 -44.849 94.655 1.00 39.16 C +ATOM 1822 O GLU A 228 -75.322 -42.751 92.547 1.00 39.16 O +ATOM 1823 CG GLU A 228 -73.943 -46.216 95.225 1.00 39.16 C +ATOM 1824 CD GLU A 228 -72.995 -46.115 96.433 1.00 39.16 C +ATOM 1825 OE1 GLU A 228 -72.711 -47.178 97.029 1.00 39.16 O +ATOM 1826 OE2 GLU A 228 -72.560 -44.985 96.759 1.00 39.16 O +ATOM 1827 N ILE A 229 -77.327 -43.592 93.154 1.00 45.12 N +ATOM 1828 CA ILE A 229 -78.160 -42.367 93.138 1.00 45.12 C +ATOM 1829 C ILE A 229 -78.855 -42.044 91.785 1.00 45.12 C +ATOM 1830 CB ILE A 229 -77.419 -41.140 93.762 1.00 45.12 C +ATOM 1831 O ILE A 229 -78.639 -40.967 91.234 1.00 45.12 O +ATOM 1832 CG1 ILE A 229 -76.560 -41.374 95.035 1.00 45.12 C +ATOM 1833 CG2 ILE A 229 -78.397 -39.998 94.107 1.00 45.12 C +ATOM 1834 CD1 ILE A 229 -75.350 -40.429 95.107 1.00 45.12 C +ATOM 1835 N ASP A 230 -79.744 -42.915 91.280 1.00 44.72 N +ATOM 1836 CA ASP A 230 -80.426 -42.735 89.973 1.00 44.72 C +ATOM 1837 C ASP A 230 -81.829 -42.070 89.966 1.00 44.72 C +ATOM 1838 CB ASP A 230 -80.435 -44.071 89.189 1.00 44.72 C +ATOM 1839 O ASP A 230 -82.248 -41.584 88.923 1.00 44.72 O +ATOM 1840 CG ASP A 230 -79.303 -44.207 88.154 1.00 44.72 C +ATOM 1841 OD1 ASP A 230 -78.705 -43.169 87.783 1.00 44.72 O +ATOM 1842 OD2 ASP A 230 -79.049 -45.363 87.756 1.00 44.72 O +ATOM 1843 N ASN A 231 -82.574 -41.911 91.072 1.00 46.75 N +ATOM 1844 CA ASN A 231 -84.009 -41.531 90.940 1.00 46.75 C +ATOM 1845 C ASN A 231 -84.384 -40.061 91.216 1.00 46.75 C +ATOM 1846 CB ASN A 231 -84.867 -42.546 91.705 1.00 46.75 C +ATOM 1847 O ASN A 231 -85.446 -39.610 90.791 1.00 46.75 O +ATOM 1848 CG ASN A 231 -84.931 -43.887 90.986 1.00 46.75 C +ATOM 1849 ND2 ASN A 231 -85.388 -44.921 91.646 1.00 46.75 N +ATOM 1850 OD1 ASN A 231 -84.595 -44.038 89.830 1.00 46.75 O +ATOM 1851 N GLY A 232 -83.524 -39.285 91.880 1.00 52.50 N +ATOM 1852 CA GLY A 232 -83.654 -37.817 91.942 1.00 52.50 C +ATOM 1853 C GLY A 232 -82.891 -37.120 90.815 1.00 52.50 C +ATOM 1854 O GLY A 232 -83.294 -36.062 90.336 1.00 52.50 O +ATOM 1855 N LYS A 233 -81.822 -37.768 90.340 1.00 58.84 N +ATOM 1856 CA LYS A 233 -81.007 -37.261 89.248 1.00 58.84 C +ATOM 1857 C LYS A 233 -81.682 -37.418 87.892 1.00 58.84 C +ATOM 1858 CB LYS A 233 -79.630 -37.918 89.226 1.00 58.84 C +ATOM 1859 O LYS A 233 -81.362 -36.624 87.038 1.00 58.84 O +ATOM 1860 CG LYS A 233 -78.780 -37.761 90.491 1.00 58.84 C +ATOM 1861 CD LYS A 233 -77.386 -38.336 90.195 1.00 58.84 C +ATOM 1862 CE LYS A 233 -76.528 -38.481 91.452 1.00 58.84 C +ATOM 1863 NZ LYS A 233 -75.504 -39.542 91.258 1.00 58.84 N +ATOM 1864 N GLN A 234 -82.638 -38.326 87.682 1.00 55.31 N +ATOM 1865 CA GLN A 234 -83.261 -38.517 86.362 1.00 55.31 C +ATOM 1866 C GLN A 234 -83.862 -37.230 85.766 1.00 55.31 C +ATOM 1867 CB GLN A 234 -84.307 -39.640 86.467 1.00 55.31 C +ATOM 1868 O GLN A 234 -83.636 -36.939 84.599 1.00 55.31 O +ATOM 1869 CG GLN A 234 -84.918 -40.031 85.112 1.00 55.31 C +ATOM 1870 CD GLN A 234 -83.915 -40.577 84.099 1.00 55.31 C +ATOM 1871 NE2 GLN A 234 -84.292 -40.631 82.845 1.00 55.31 N +ATOM 1872 OE1 GLN A 234 -82.794 -40.948 84.409 1.00 55.31 O +ATOM 1873 N ARG A 235 -84.544 -36.394 86.563 1.00 52.56 N +ATOM 1874 CA ARG A 235 -85.101 -35.117 86.065 1.00 52.56 C +ATOM 1875 C ARG A 235 -84.052 -34.014 85.932 1.00 52.56 C +ATOM 1876 CB ARG A 235 -86.265 -34.648 86.939 1.00 52.56 C +ATOM 1877 O ARG A 235 -84.127 -33.206 85.012 1.00 52.56 O +ATOM 1878 CG ARG A 235 -87.461 -35.601 86.850 1.00 52.56 C +ATOM 1879 CD ARG A 235 -88.642 -35.001 87.616 1.00 52.56 C +ATOM 1880 NE ARG A 235 -89.720 -35.992 87.784 1.00 52.56 N +ATOM 1881 NH1 ARG A 235 -90.006 -35.803 90.061 1.00 52.56 N +ATOM 1882 NH2 ARG A 235 -91.222 -37.276 88.909 1.00 52.56 N +ATOM 1883 CZ ARG A 235 -90.307 -36.348 88.913 1.00 52.56 C +ATOM 1884 N GLU A 236 -83.056 -33.992 86.820 1.00 58.72 N +ATOM 1885 CA GLU A 236 -81.895 -33.107 86.657 1.00 58.72 C +ATOM 1886 C GLU A 236 -81.044 -33.518 85.453 1.00 58.72 C +ATOM 1887 CB GLU A 236 -81.004 -33.100 87.906 1.00 58.72 C +ATOM 1888 O GLU A 236 -80.517 -32.656 84.769 1.00 58.72 O +ATOM 1889 CG GLU A 236 -81.647 -32.418 89.120 1.00 58.72 C +ATOM 1890 CD GLU A 236 -80.659 -32.219 90.286 1.00 58.72 C +ATOM 1891 OE1 GLU A 236 -81.120 -31.764 91.352 1.00 58.72 O +ATOM 1892 OE2 GLU A 236 -79.432 -32.459 90.109 1.00 58.72 O +ATOM 1893 N PHE A 237 -80.928 -34.813 85.168 1.00 66.56 N +ATOM 1894 CA PHE A 237 -80.252 -35.371 84.010 1.00 66.56 C +ATOM 1895 C PHE A 237 -81.042 -35.069 82.755 1.00 66.56 C +ATOM 1896 CB PHE A 237 -80.049 -36.890 84.140 1.00 66.56 C +ATOM 1897 O PHE A 237 -80.425 -34.670 81.791 1.00 66.56 O +ATOM 1898 CG PHE A 237 -78.981 -37.360 85.113 1.00 66.56 C +ATOM 1899 CD1 PHE A 237 -77.715 -36.743 85.147 1.00 66.56 C +ATOM 1900 CD2 PHE A 237 -79.207 -38.510 85.891 1.00 66.56 C +ATOM 1901 CE1 PHE A 237 -76.701 -37.245 85.981 1.00 66.56 C +ATOM 1902 CE2 PHE A 237 -78.183 -39.033 86.700 1.00 66.56 C +ATOM 1903 CZ PHE A 237 -76.936 -38.390 86.759 1.00 66.56 C +ATOM 1904 N GLU A 238 -82.369 -35.174 82.756 1.00 73.69 N +ATOM 1905 CA GLU A 238 -83.192 -34.806 81.600 1.00 73.69 C +ATOM 1906 C GLU A 238 -83.091 -33.307 81.281 1.00 73.69 C +ATOM 1907 CB GLU A 238 -84.645 -35.237 81.843 1.00 73.69 C +ATOM 1908 O GLU A 238 -82.855 -32.957 80.127 1.00 73.69 O +ATOM 1909 CG GLU A 238 -84.829 -36.751 81.625 1.00 73.69 C +ATOM 1910 CD GLU A 238 -86.150 -37.307 82.183 1.00 73.69 C +ATOM 1911 OE1 GLU A 238 -86.262 -38.557 82.240 1.00 73.69 O +ATOM 1912 OE2 GLU A 238 -87.035 -36.507 82.575 1.00 73.69 O +ATOM 1913 N SER A 239 -83.174 -32.420 82.284 1.00 76.75 N +ATOM 1914 CA SER A 239 -82.970 -30.975 82.080 1.00 76.75 C +ATOM 1915 C SER A 239 -81.537 -30.660 81.655 1.00 76.75 C +ATOM 1916 CB SER A 239 -83.301 -30.192 83.351 1.00 76.75 C +ATOM 1917 O SER A 239 -81.333 -29.985 80.654 1.00 76.75 O +ATOM 1918 OG SER A 239 -83.275 -28.792 83.135 1.00 76.75 O +ATOM 1919 N ARG A 240 -80.530 -31.187 82.365 1.00 82.50 N +ATOM 1920 CA ARG A 240 -79.117 -30.973 82.014 1.00 82.50 C +ATOM 1921 C ARG A 240 -78.761 -31.592 80.667 1.00 82.50 C +ATOM 1922 CB ARG A 240 -78.180 -31.529 83.096 1.00 82.50 C +ATOM 1923 O ARG A 240 -77.891 -31.068 79.990 1.00 82.50 O +ATOM 1924 CG ARG A 240 -78.178 -30.686 84.379 1.00 82.50 C +ATOM 1925 CD ARG A 240 -77.319 -31.380 85.443 1.00 82.50 C +ATOM 1926 NE ARG A 240 -77.395 -30.688 86.744 1.00 82.50 N +ATOM 1927 NH1 ARG A 240 -76.608 -32.409 88.042 1.00 82.50 N +ATOM 1928 NH2 ARG A 240 -77.593 -30.686 89.016 1.00 82.50 N +ATOM 1929 CZ ARG A 240 -77.182 -31.248 87.920 1.00 82.50 C +ATOM 1930 N LEU A 241 -79.405 -32.686 80.270 1.00 82.25 N +ATOM 1931 CA LEU A 241 -79.224 -33.309 78.962 1.00 82.25 C +ATOM 1932 C LEU A 241 -79.859 -32.450 77.875 1.00 82.25 C +ATOM 1933 CB LEU A 241 -79.808 -34.734 78.966 1.00 82.25 C +ATOM 1934 O LEU A 241 -79.239 -32.268 76.837 1.00 82.25 O +ATOM 1935 CG LEU A 241 -79.670 -35.504 77.645 1.00 82.25 C +ATOM 1936 CD1 LEU A 241 -78.203 -35.785 77.313 1.00 82.25 C +ATOM 1937 CD2 LEU A 241 -80.406 -36.839 77.757 1.00 82.25 C +ATOM 1938 N ALA A 242 -81.054 -31.902 78.103 1.00 85.81 N +ATOM 1939 CA ALA A 242 -81.671 -30.966 77.169 1.00 85.81 C +ATOM 1940 C ALA A 242 -80.804 -29.707 76.986 1.00 85.81 C +ATOM 1941 CB ALA A 242 -83.087 -30.637 77.651 1.00 85.81 C +ATOM 1942 O ALA A 242 -80.509 -29.345 75.847 1.00 85.81 O +ATOM 1943 N ASP A 243 -80.322 -29.115 78.084 1.00 87.44 N +ATOM 1944 CA ASP A 243 -79.426 -27.953 78.058 1.00 87.44 C +ATOM 1945 C ASP A 243 -78.097 -28.290 77.362 1.00 87.44 C +ATOM 1946 CB ASP A 243 -79.174 -27.440 79.489 1.00 87.44 C +ATOM 1947 O ASP A 243 -77.674 -27.572 76.459 1.00 87.44 O +ATOM 1948 CG ASP A 243 -80.409 -26.841 80.178 1.00 87.44 C +ATOM 1949 OD1 ASP A 243 -81.327 -26.376 79.466 1.00 87.44 O +ATOM 1950 OD2 ASP A 243 -80.421 -26.846 81.432 1.00 87.44 O +ATOM 1951 N ALA A 244 -77.477 -29.430 77.689 1.00 89.50 N +ATOM 1952 CA ALA A 244 -76.241 -29.880 77.050 1.00 89.50 C +ATOM 1953 C ALA A 244 -76.427 -30.195 75.558 1.00 89.50 C +ATOM 1954 CB ALA A 244 -75.709 -31.110 77.794 1.00 89.50 C +ATOM 1955 O ALA A 244 -75.531 -29.939 74.759 1.00 89.50 O +ATOM 1956 N LEU A 245 -77.581 -30.735 75.153 1.00 89.81 N +ATOM 1957 CA LEU A 245 -77.901 -30.971 73.744 1.00 89.81 C +ATOM 1958 C LEU A 245 -78.122 -29.657 72.991 1.00 89.81 C +ATOM 1959 CB LEU A 245 -79.146 -31.868 73.620 1.00 89.81 C +ATOM 1960 O LEU A 245 -77.706 -29.546 71.838 1.00 89.81 O +ATOM 1961 CG LEU A 245 -78.898 -33.361 73.904 1.00 89.81 C +ATOM 1962 CD1 LEU A 245 -80.244 -34.087 73.960 1.00 89.81 C +ATOM 1963 CD2 LEU A 245 -78.051 -34.023 72.813 1.00 89.81 C +ATOM 1964 N GLN A 246 -78.763 -28.666 73.615 1.00 90.44 N +ATOM 1965 CA GLN A 246 -78.917 -27.336 73.029 1.00 90.44 C +ATOM 1966 C GLN A 246 -77.564 -26.627 72.908 1.00 90.44 C +ATOM 1967 CB GLN A 246 -79.932 -26.530 73.850 1.00 90.44 C +ATOM 1968 O GLN A 246 -77.279 -26.041 71.865 1.00 90.44 O +ATOM 1969 CG GLN A 246 -80.196 -25.156 73.214 1.00 90.44 C +ATOM 1970 CD GLN A 246 -81.373 -24.411 73.832 1.00 90.44 C +ATOM 1971 NE2 GLN A 246 -81.594 -23.174 73.445 1.00 90.44 N +ATOM 1972 OE1 GLN A 246 -82.147 -24.910 74.627 1.00 90.44 O +ATOM 1973 N GLU A 247 -76.707 -26.739 73.921 1.00 92.38 N +ATOM 1974 CA GLU A 247 -75.351 -26.198 73.894 1.00 92.38 C +ATOM 1975 C GLU A 247 -74.482 -26.898 72.839 1.00 92.38 C +ATOM 1976 CB GLU A 247 -74.743 -26.287 75.301 1.00 92.38 C +ATOM 1977 O GLU A 247 -73.824 -26.222 72.055 1.00 92.38 O +ATOM 1978 CG GLU A 247 -73.473 -25.433 75.394 1.00 92.38 C +ATOM 1979 CD GLU A 247 -72.827 -25.420 76.788 1.00 92.38 C +ATOM 1980 OE1 GLU A 247 -71.759 -24.774 76.889 1.00 92.38 O +ATOM 1981 OE2 GLU A 247 -73.364 -26.057 77.722 1.00 92.38 O +ATOM 1982 N LEU A 248 -74.546 -28.230 72.724 1.00 93.25 N +ATOM 1983 CA LEU A 248 -73.861 -28.987 71.667 1.00 93.25 C +ATOM 1984 C LEU A 248 -74.312 -28.559 70.270 1.00 93.25 C +ATOM 1985 CB LEU A 248 -74.124 -30.493 71.848 1.00 93.25 C +ATOM 1986 O LEU A 248 -73.484 -28.410 69.373 1.00 93.25 O +ATOM 1987 CG LEU A 248 -73.131 -31.178 72.800 1.00 93.25 C +ATOM 1988 CD1 LEU A 248 -73.678 -32.546 73.218 1.00 93.25 C +ATOM 1989 CD2 LEU A 248 -71.779 -31.400 72.114 1.00 93.25 C +ATOM 1990 N ARG A 249 -75.618 -28.341 70.069 1.00 93.38 N +ATOM 1991 CA ARG A 249 -76.140 -27.829 68.794 1.00 93.38 C +ATOM 1992 C ARG A 249 -75.606 -26.433 68.500 1.00 93.38 C +ATOM 1993 CB ARG A 249 -77.671 -27.838 68.788 1.00 93.38 C +ATOM 1994 O ARG A 249 -75.087 -26.227 67.410 1.00 93.38 O +ATOM 1995 CG ARG A 249 -78.223 -29.255 68.611 1.00 93.38 C +ATOM 1996 CD ARG A 249 -79.742 -29.217 68.768 1.00 93.38 C +ATOM 1997 NE ARG A 249 -80.327 -30.566 68.693 1.00 93.38 N +ATOM 1998 NH1 ARG A 249 -82.516 -29.915 68.876 1.00 93.38 N +ATOM 1999 NH2 ARG A 249 -82.017 -32.089 68.730 1.00 93.38 N +ATOM 2000 CZ ARG A 249 -81.613 -30.850 68.765 1.00 93.38 C +ATOM 2001 N ALA A 250 -75.654 -25.521 69.470 1.00 93.50 N +ATOM 2002 CA ALA A 250 -75.119 -24.171 69.315 1.00 93.50 C +ATOM 2003 C ALA A 250 -73.604 -24.175 69.031 1.00 93.50 C +ATOM 2004 CB ALA A 250 -75.457 -23.370 70.578 1.00 93.50 C +ATOM 2005 O ALA A 250 -73.139 -23.440 68.165 1.00 93.50 O +ATOM 2006 N GLN A 251 -72.835 -25.041 69.701 1.00 94.69 N +ATOM 2007 CA GLN A 251 -71.401 -25.215 69.452 1.00 94.69 C +ATOM 2008 C GLN A 251 -71.126 -25.751 68.042 1.00 94.69 C +ATOM 2009 CB GLN A 251 -70.797 -26.169 70.494 1.00 94.69 C +ATOM 2010 O GLN A 251 -70.221 -25.264 67.369 1.00 94.69 O +ATOM 2011 CG GLN A 251 -70.641 -25.539 71.888 1.00 94.69 C +ATOM 2012 CD GLN A 251 -70.141 -26.539 72.931 1.00 94.69 C +ATOM 2013 NE2 GLN A 251 -70.105 -26.173 74.195 1.00 94.69 N +ATOM 2014 OE1 GLN A 251 -69.749 -27.660 72.638 1.00 94.69 O +ATOM 2015 N HIS A 252 -71.898 -26.732 67.567 1.00 93.62 N +ATOM 2016 CA HIS A 252 -71.748 -27.245 66.205 1.00 93.62 C +ATOM 2017 C HIS A 252 -72.166 -26.224 65.141 1.00 93.62 C +ATOM 2018 CB HIS A 252 -72.524 -28.557 66.049 1.00 93.62 C +ATOM 2019 O HIS A 252 -71.495 -26.116 64.117 1.00 93.62 O +ATOM 2020 CG HIS A 252 -71.825 -29.734 66.678 1.00 93.62 C +ATOM 2021 CD2 HIS A 252 -72.378 -30.660 67.521 1.00 93.62 C +ATOM 2022 ND1 HIS A 252 -70.510 -30.096 66.484 1.00 93.62 N +ATOM 2023 CE1 HIS A 252 -70.285 -31.218 67.185 1.00 93.62 C +ATOM 2024 NE2 HIS A 252 -71.397 -31.610 67.827 1.00 93.62 N +ATOM 2025 N GLU A 253 -73.226 -25.451 65.377 1.00 95.25 N +ATOM 2026 CA GLU A 253 -73.623 -24.346 64.499 1.00 95.25 C +ATOM 2027 C GLU A 253 -72.528 -23.274 64.421 1.00 95.25 C +ATOM 2028 CB GLU A 253 -74.953 -23.742 64.978 1.00 95.25 C +ATOM 2029 O GLU A 253 -72.164 -22.855 63.321 1.00 95.25 O +ATOM 2030 CG GLU A 253 -76.153 -24.639 64.624 1.00 95.25 C +ATOM 2031 CD GLU A 253 -77.492 -24.145 65.201 1.00 95.25 C +ATOM 2032 OE1 GLU A 253 -78.491 -24.887 65.035 1.00 95.25 O +ATOM 2033 OE2 GLU A 253 -77.536 -23.043 65.793 1.00 95.25 O +ATOM 2034 N ASP A 254 -71.934 -22.893 65.557 1.00 95.81 N +ATOM 2035 CA ASP A 254 -70.825 -21.937 65.593 1.00 95.81 C +ATOM 2036 C ASP A 254 -69.574 -22.482 64.881 1.00 95.81 C +ATOM 2037 CB ASP A 254 -70.534 -21.536 67.046 1.00 95.81 C +ATOM 2038 O ASP A 254 -68.972 -21.779 64.071 1.00 95.81 O +ATOM 2039 CG ASP A 254 -69.528 -20.383 67.122 1.00 95.81 C +ATOM 2040 OD1 ASP A 254 -69.773 -19.324 66.501 1.00 95.81 O +ATOM 2041 OD2 ASP A 254 -68.484 -20.554 67.788 1.00 95.81 O +ATOM 2042 N GLN A 255 -69.224 -23.759 65.076 1.00 95.62 N +ATOM 2043 CA GLN A 255 -68.123 -24.407 64.348 1.00 95.62 C +ATOM 2044 C GLN A 255 -68.349 -24.406 62.829 1.00 95.62 C +ATOM 2045 CB GLN A 255 -67.950 -25.856 64.828 1.00 95.62 C +ATOM 2046 O GLN A 255 -67.434 -24.095 62.066 1.00 95.62 O +ATOM 2047 CG GLN A 255 -67.263 -25.952 66.195 1.00 95.62 C +ATOM 2048 CD GLN A 255 -67.268 -27.370 66.763 1.00 95.62 C +ATOM 2049 NE2 GLN A 255 -66.800 -27.540 67.980 1.00 95.62 N +ATOM 2050 OE1 GLN A 255 -67.681 -28.348 66.151 1.00 95.62 O +ATOM 2051 N VAL A 256 -69.562 -24.728 62.368 1.00 95.62 N +ATOM 2052 CA VAL A 256 -69.901 -24.715 60.936 1.00 95.62 C +ATOM 2053 C VAL A 256 -69.826 -23.297 60.368 1.00 95.62 C +ATOM 2054 CB VAL A 256 -71.284 -25.350 60.697 1.00 95.62 C +ATOM 2055 O VAL A 256 -69.280 -23.103 59.280 1.00 95.62 O +ATOM 2056 CG1 VAL A 256 -71.792 -25.149 59.261 1.00 95.62 C +ATOM 2057 CG2 VAL A 256 -71.223 -26.867 60.933 1.00 95.62 C +ATOM 2058 N GLU A 257 -70.319 -22.298 61.100 1.00 96.25 N +ATOM 2059 CA GLU A 257 -70.260 -20.897 60.681 1.00 96.25 C +ATOM 2060 C GLU A 257 -68.815 -20.368 60.648 1.00 96.25 C +ATOM 2061 CB GLU A 257 -71.165 -20.070 61.608 1.00 96.25 C +ATOM 2062 O GLU A 257 -68.441 -19.643 59.723 1.00 96.25 O +ATOM 2063 CG GLU A 257 -71.302 -18.596 61.201 1.00 96.25 C +ATOM 2064 CD GLU A 257 -71.919 -18.345 59.811 1.00 96.25 C +ATOM 2065 OE1 GLU A 257 -71.716 -17.208 59.323 1.00 96.25 O +ATOM 2066 OE2 GLU A 257 -72.574 -19.236 59.222 1.00 96.25 O +ATOM 2067 N GLN A 258 -67.966 -20.768 61.601 1.00 95.62 N +ATOM 2068 CA GLN A 258 -66.532 -20.468 61.580 1.00 95.62 C +ATOM 2069 C GLN A 258 -65.846 -21.100 60.363 1.00 95.62 C +ATOM 2070 CB GLN A 258 -65.862 -20.938 62.879 1.00 95.62 C +ATOM 2071 O GLN A 258 -65.187 -20.386 59.605 1.00 95.62 O +ATOM 2072 CG GLN A 258 -66.213 -20.061 64.092 1.00 95.62 C +ATOM 2073 CD GLN A 258 -65.580 -20.587 65.378 1.00 95.62 C +ATOM 2074 NE2 GLN A 258 -66.081 -20.234 66.535 1.00 95.62 N +ATOM 2075 OE1 GLN A 258 -64.584 -21.292 65.377 1.00 95.62 O +ATOM 2076 N TYR A 259 -66.064 -22.394 60.100 1.00 92.06 N +ATOM 2077 CA TYR A 259 -65.507 -23.055 58.916 1.00 92.06 C +ATOM 2078 C TYR A 259 -65.974 -22.408 57.616 1.00 92.06 C +ATOM 2079 CB TYR A 259 -65.881 -24.544 58.898 1.00 92.06 C +ATOM 2080 O TYR A 259 -65.180 -22.237 56.691 1.00 92.06 O +ATOM 2081 CG TYR A 259 -65.135 -25.411 59.890 1.00 92.06 C +ATOM 2082 CD1 TYR A 259 -63.739 -25.278 60.041 1.00 92.06 C +ATOM 2083 CD2 TYR A 259 -65.833 -26.377 60.641 1.00 92.06 C +ATOM 2084 CE1 TYR A 259 -63.049 -26.086 60.959 1.00 92.06 C +ATOM 2085 CE2 TYR A 259 -65.142 -27.199 61.550 1.00 92.06 C +ATOM 2086 OH TYR A 259 -63.079 -27.830 62.599 1.00 92.06 O +ATOM 2087 CZ TYR A 259 -63.750 -27.049 61.713 1.00 92.06 C +ATOM 2088 N LYS A 260 -67.243 -21.999 57.541 1.00 96.19 N +ATOM 2089 CA LYS A 260 -67.777 -21.276 56.388 1.00 96.19 C +ATOM 2090 C LYS A 260 -67.075 -19.930 56.197 1.00 96.19 C +ATOM 2091 CB LYS A 260 -69.287 -21.128 56.572 1.00 96.19 C +ATOM 2092 O LYS A 260 -66.610 -19.657 55.093 1.00 96.19 O +ATOM 2093 CG LYS A 260 -69.942 -20.464 55.359 1.00 96.19 C +ATOM 2094 CD LYS A 260 -71.415 -20.239 55.677 1.00 96.19 C +ATOM 2095 CE LYS A 260 -72.050 -19.371 54.597 1.00 96.19 C +ATOM 2096 NZ LYS A 260 -73.325 -18.829 55.106 1.00 96.19 N +ATOM 2097 N LYS A 261 -66.924 -19.124 57.253 1.00 96.81 N +ATOM 2098 CA LYS A 261 -66.212 -17.831 57.202 1.00 96.81 C +ATOM 2099 C LYS A 261 -64.747 -17.989 56.800 1.00 96.81 C +ATOM 2100 CB LYS A 261 -66.300 -17.142 58.571 1.00 96.81 C +ATOM 2101 O LYS A 261 -64.232 -17.204 56.004 1.00 96.81 O +ATOM 2102 CG LYS A 261 -67.683 -16.530 58.818 1.00 96.81 C +ATOM 2103 CD LYS A 261 -67.811 -16.083 60.277 1.00 96.81 C +ATOM 2104 CE LYS A 261 -69.210 -15.509 60.497 1.00 96.81 C +ATOM 2105 NZ LYS A 261 -69.572 -15.480 61.933 1.00 96.81 N +ATOM 2106 N GLU A 262 -64.060 -19.000 57.323 1.00 95.88 N +ATOM 2107 CA GLU A 262 -62.678 -19.307 56.945 1.00 95.88 C +ATOM 2108 C GLU A 262 -62.575 -19.748 55.481 1.00 95.88 C +ATOM 2109 CB GLU A 262 -62.117 -20.401 57.856 1.00 95.88 C +ATOM 2110 O GLU A 262 -61.689 -19.300 54.746 1.00 95.88 O +ATOM 2111 CG GLU A 262 -61.849 -19.882 59.274 1.00 95.88 C +ATOM 2112 CD GLU A 262 -61.234 -20.952 60.187 1.00 95.88 C +ATOM 2113 OE1 GLU A 262 -60.798 -20.549 61.286 1.00 95.88 O +ATOM 2114 OE2 GLU A 262 -61.122 -22.122 59.750 1.00 95.88 O +ATOM 2115 N LEU A 263 -63.512 -20.576 55.021 1.00 94.94 N +ATOM 2116 CA LEU A 263 -63.583 -21.016 53.635 1.00 94.94 C +ATOM 2117 C LEU A 263 -63.841 -19.832 52.691 1.00 94.94 C +ATOM 2118 CB LEU A 263 -64.660 -22.107 53.530 1.00 94.94 C +ATOM 2119 O LEU A 263 -63.121 -19.660 51.708 1.00 94.94 O +ATOM 2120 CG LEU A 263 -64.613 -22.884 52.213 1.00 94.94 C +ATOM 2121 CD1 LEU A 263 -63.356 -23.762 52.124 1.00 94.94 C +ATOM 2122 CD2 LEU A 263 -65.847 -23.770 52.072 1.00 94.94 C +ATOM 2123 N GLU A 264 -64.798 -18.964 53.017 1.00 96.44 N +ATOM 2124 CA GLU A 264 -65.082 -17.734 52.271 1.00 96.44 C +ATOM 2125 C GLU A 264 -63.856 -16.818 52.212 1.00 96.44 C +ATOM 2126 CB GLU A 264 -66.267 -16.993 52.906 1.00 96.44 C +ATOM 2127 O GLU A 264 -63.475 -16.375 51.129 1.00 96.44 O +ATOM 2128 CG GLU A 264 -67.611 -17.669 52.586 1.00 96.44 C +ATOM 2129 CD GLU A 264 -68.808 -17.025 53.306 1.00 96.44 C +ATOM 2130 OE1 GLU A 264 -69.940 -17.523 53.090 1.00 96.44 O +ATOM 2131 OE2 GLU A 264 -68.605 -16.043 54.054 1.00 96.44 O +ATOM 2132 N LYS A 265 -63.173 -16.605 53.343 1.00 96.31 N +ATOM 2133 CA LYS A 265 -61.948 -15.796 53.418 1.00 96.31 C +ATOM 2134 C LYS A 265 -60.806 -16.380 52.583 1.00 96.31 C +ATOM 2135 CB LYS A 265 -61.560 -15.661 54.896 1.00 96.31 C +ATOM 2136 O LYS A 265 -60.063 -15.643 51.936 1.00 96.31 O +ATOM 2137 CG LYS A 265 -60.348 -14.746 55.118 1.00 96.31 C +ATOM 2138 CD LYS A 265 -60.026 -14.678 56.613 1.00 96.31 C +ATOM 2139 CE LYS A 265 -58.813 -13.779 56.864 1.00 96.31 C +ATOM 2140 NZ LYS A 265 -58.465 -13.762 58.307 1.00 96.31 N +ATOM 2141 N THR A 266 -60.627 -17.701 52.589 1.00 95.12 N +ATOM 2142 CA THR A 266 -59.573 -18.342 51.786 1.00 95.12 C +ATOM 2143 C THR A 266 -59.889 -18.298 50.292 1.00 95.12 C +ATOM 2144 CB THR A 266 -59.273 -19.782 52.217 1.00 95.12 C +ATOM 2145 O THR A 266 -58.981 -18.052 49.495 1.00 95.12 O +ATOM 2146 CG2 THR A 266 -58.655 -19.879 53.610 1.00 95.12 C +ATOM 2147 OG1 THR A 266 -60.413 -20.593 52.178 1.00 95.12 O +ATOM 2148 N TYR A 267 -61.150 -18.483 49.885 1.00 93.50 N +ATOM 2149 CA TYR A 267 -61.550 -18.346 48.483 1.00 93.50 C +ATOM 2150 C TYR A 267 -61.520 -16.898 48.000 1.00 93.50 C +ATOM 2151 CB TYR A 267 -62.923 -18.973 48.226 1.00 93.50 C +ATOM 2152 O TYR A 267 -61.054 -16.667 46.884 1.00 93.50 O +ATOM 2153 CG TYR A 267 -62.879 -20.479 48.071 1.00 93.50 C +ATOM 2154 CD1 TYR A 267 -62.196 -21.063 46.985 1.00 93.50 C +ATOM 2155 CD2 TYR A 267 -63.557 -21.297 48.987 1.00 93.50 C +ATOM 2156 CE1 TYR A 267 -62.152 -22.465 46.849 1.00 93.50 C +ATOM 2157 CE2 TYR A 267 -63.534 -22.696 48.842 1.00 93.50 C +ATOM 2158 OH TYR A 267 -62.759 -24.635 47.668 1.00 93.50 O +ATOM 2159 CZ TYR A 267 -62.812 -23.284 47.789 1.00 93.50 C +ATOM 2160 N SER A 268 -61.927 -15.924 48.820 1.00 96.31 N +ATOM 2161 CA SER A 268 -61.815 -14.505 48.468 1.00 96.31 C +ATOM 2162 C SER A 268 -60.352 -14.122 48.246 1.00 96.31 C +ATOM 2163 CB SER A 268 -62.492 -13.606 49.512 1.00 96.31 C +ATOM 2164 O SER A 268 -60.012 -13.600 47.189 1.00 96.31 O +ATOM 2165 OG SER A 268 -61.723 -13.466 50.691 1.00 96.31 O +ATOM 2166 N ALA A 269 -59.453 -14.516 49.155 1.00 95.88 N +ATOM 2167 CA ALA A 269 -58.020 -14.274 49.008 1.00 95.88 C +ATOM 2168 C ALA A 269 -57.426 -14.965 47.767 1.00 95.88 C +ATOM 2169 CB ALA A 269 -57.319 -14.738 50.288 1.00 95.88 C +ATOM 2170 O ALA A 269 -56.565 -14.398 47.094 1.00 95.88 O +ATOM 2171 N LYS A 270 -57.869 -16.185 47.430 1.00 95.75 N +ATOM 2172 CA LYS A 270 -57.443 -16.876 46.199 1.00 95.75 C +ATOM 2173 C LYS A 270 -57.931 -16.153 44.942 1.00 95.75 C +ATOM 2174 CB LYS A 270 -57.924 -18.333 46.201 1.00 95.75 C +ATOM 2175 O LYS A 270 -57.151 -16.004 44.005 1.00 95.75 O +ATOM 2176 CG LYS A 270 -57.073 -19.234 47.109 1.00 95.75 C +ATOM 2177 CD LYS A 270 -57.697 -20.633 47.191 1.00 95.75 C +ATOM 2178 CE LYS A 270 -56.898 -21.530 48.141 1.00 95.75 C +ATOM 2179 NZ LYS A 270 -57.548 -22.855 48.306 1.00 95.75 N +ATOM 2180 N LEU A 271 -59.182 -15.690 44.924 1.00 95.06 N +ATOM 2181 CA LEU A 271 -59.751 -14.930 43.808 1.00 95.06 C +ATOM 2182 C LEU A 271 -59.058 -13.577 43.636 1.00 95.06 C +ATOM 2183 CB LEU A 271 -61.263 -14.742 44.023 1.00 95.06 C +ATOM 2184 O LEU A 271 -58.723 -13.216 42.511 1.00 95.06 O +ATOM 2185 CG LEU A 271 -62.099 -16.012 43.790 1.00 95.06 C +ATOM 2186 CD1 LEU A 271 -63.536 -15.768 44.248 1.00 95.06 C +ATOM 2187 CD2 LEU A 271 -62.131 -16.416 42.313 1.00 95.06 C +ATOM 2188 N ASP A 272 -58.781 -12.864 44.725 1.00 96.00 N +ATOM 2189 CA ASP A 272 -58.079 -11.581 44.681 1.00 96.00 C +ATOM 2190 C ASP A 272 -56.628 -11.749 44.223 1.00 96.00 C +ATOM 2191 CB ASP A 272 -58.153 -10.892 46.050 1.00 96.00 C +ATOM 2192 O ASP A 272 -56.163 -11.003 43.363 1.00 96.00 O +ATOM 2193 CG ASP A 272 -59.563 -10.392 46.392 1.00 96.00 C +ATOM 2194 OD1 ASP A 272 -60.341 -10.116 45.443 1.00 96.00 O +ATOM 2195 OD2 ASP A 272 -59.831 -10.265 47.607 1.00 96.00 O +ATOM 2196 N ASN A 273 -55.923 -12.778 44.704 1.00 94.69 N +ATOM 2197 CA ASN A 273 -54.582 -13.102 44.214 1.00 94.69 C +ATOM 2198 C ASN A 273 -54.587 -13.481 42.726 1.00 94.69 C +ATOM 2199 CB ASN A 273 -53.981 -14.229 45.065 1.00 94.69 C +ATOM 2200 O ASN A 273 -53.717 -13.031 41.977 1.00 94.69 O +ATOM 2201 CG ASN A 273 -53.412 -13.722 46.376 1.00 94.69 C +ATOM 2202 ND2 ASN A 273 -53.650 -14.409 47.464 1.00 94.69 N +ATOM 2203 OD1 ASN A 273 -52.716 -12.725 46.435 1.00 94.69 O +ATOM 2204 N ALA A 274 -55.569 -14.270 42.275 1.00 94.25 N +ATOM 2205 CA ALA A 274 -55.716 -14.628 40.866 1.00 94.25 C +ATOM 2206 C ALA A 274 -56.019 -13.398 39.995 1.00 94.25 C +ATOM 2207 CB ALA A 274 -56.798 -15.705 40.734 1.00 94.25 C +ATOM 2208 O ALA A 274 -55.405 -13.235 38.941 1.00 94.25 O +ATOM 2209 N ARG A 275 -56.896 -12.494 40.457 1.00 94.44 N +ATOM 2210 CA ARG A 275 -57.194 -11.214 39.793 1.00 94.44 C +ATOM 2211 C ARG A 275 -55.957 -10.331 39.690 1.00 94.44 C +ATOM 2212 CB ARG A 275 -58.308 -10.466 40.538 1.00 94.44 C +ATOM 2213 O ARG A 275 -55.622 -9.908 38.591 1.00 94.44 O +ATOM 2214 CG ARG A 275 -59.700 -11.037 40.248 1.00 94.44 C +ATOM 2215 CD ARG A 275 -60.711 -10.339 41.160 1.00 94.44 C +ATOM 2216 NE ARG A 275 -62.088 -10.796 40.908 1.00 94.44 N +ATOM 2217 NH1 ARG A 275 -63.020 -9.779 42.745 1.00 94.44 N +ATOM 2218 NH2 ARG A 275 -64.324 -10.908 41.326 1.00 94.44 N +ATOM 2219 CZ ARG A 275 -63.133 -10.490 41.657 1.00 94.44 C +ATOM 2220 N GLN A 276 -55.232 -10.124 40.789 1.00 95.94 N +ATOM 2221 CA GLN A 276 -53.994 -9.340 40.777 1.00 95.94 C +ATOM 2222 C GLN A 276 -52.930 -9.960 39.868 1.00 95.94 C +ATOM 2223 CB GLN A 276 -53.410 -9.253 42.188 1.00 95.94 C +ATOM 2224 O GLN A 276 -52.201 -9.244 39.186 1.00 95.94 O +ATOM 2225 CG GLN A 276 -54.192 -8.346 43.141 1.00 95.94 C +ATOM 2226 CD GLN A 276 -53.561 -8.354 44.529 1.00 95.94 C +ATOM 2227 NE2 GLN A 276 -54.341 -8.156 45.568 1.00 95.94 N +ATOM 2228 OE1 GLN A 276 -52.354 -8.533 44.695 1.00 95.94 O +ATOM 2229 N SER A 277 -52.811 -11.291 39.844 1.00 93.00 N +ATOM 2230 CA SER A 277 -51.880 -11.962 38.936 1.00 93.00 C +ATOM 2231 C SER A 277 -52.289 -11.790 37.472 1.00 93.00 C +ATOM 2232 CB SER A 277 -51.763 -13.446 39.272 1.00 93.00 C +ATOM 2233 O SER A 277 -51.416 -11.573 36.634 1.00 93.00 O +ATOM 2234 OG SER A 277 -50.713 -13.995 38.502 1.00 93.00 O +ATOM 2235 N ALA A 278 -53.584 -11.867 37.155 1.00 93.38 N +ATOM 2236 CA ALA A 278 -54.098 -11.623 35.810 1.00 93.38 C +ATOM 2237 C ALA A 278 -53.883 -10.165 35.375 1.00 93.38 C +ATOM 2238 CB ALA A 278 -55.579 -12.018 35.768 1.00 93.38 C +ATOM 2239 O ALA A 278 -53.440 -9.924 34.256 1.00 93.38 O +ATOM 2240 N GLU A 279 -54.112 -9.203 36.269 1.00 95.12 N +ATOM 2241 CA GLU A 279 -53.885 -7.777 36.020 1.00 95.12 C +ATOM 2242 C GLU A 279 -52.399 -7.468 35.791 1.00 95.12 C +ATOM 2243 CB GLU A 279 -54.455 -6.988 37.203 1.00 95.12 C +ATOM 2244 O GLU A 279 -52.047 -6.817 34.809 1.00 95.12 O +ATOM 2245 CG GLU A 279 -54.433 -5.473 36.962 1.00 95.12 C +ATOM 2246 CD GLU A 279 -55.085 -4.686 38.109 1.00 95.12 C +ATOM 2247 OE1 GLU A 279 -55.225 -3.457 37.939 1.00 95.12 O +ATOM 2248 OE2 GLU A 279 -55.393 -5.303 39.157 1.00 95.12 O +ATOM 2249 N ARG A 280 -51.499 -8.016 36.621 1.00 94.12 N +ATOM 2250 CA ARG A 280 -50.045 -7.910 36.403 1.00 94.12 C +ATOM 2251 C ARG A 280 -49.639 -8.482 35.047 1.00 94.12 C +ATOM 2252 CB ARG A 280 -49.268 -8.611 37.526 1.00 94.12 C +ATOM 2253 O ARG A 280 -48.893 -7.831 34.324 1.00 94.12 O +ATOM 2254 CG ARG A 280 -49.297 -7.831 38.848 1.00 94.12 C +ATOM 2255 CD ARG A 280 -48.598 -8.641 39.949 1.00 94.12 C +ATOM 2256 NE ARG A 280 -48.872 -8.083 41.291 1.00 94.12 N +ATOM 2257 NH1 ARG A 280 -49.816 -9.949 42.270 1.00 94.12 N +ATOM 2258 NH2 ARG A 280 -49.820 -8.022 43.366 1.00 94.12 N +ATOM 2259 CZ ARG A 280 -49.488 -8.688 42.296 1.00 94.12 C +ATOM 2260 N ASN A 281 -50.152 -9.657 34.680 1.00 93.19 N +ATOM 2261 CA ASN A 281 -49.870 -10.259 33.376 1.00 93.19 C +ATOM 2262 C ASN A 281 -50.411 -9.399 32.223 1.00 93.19 C +ATOM 2263 CB ASN A 281 -50.440 -11.686 33.333 1.00 93.19 C +ATOM 2264 O ASN A 281 -49.703 -9.205 31.240 1.00 93.19 O +ATOM 2265 CG ASN A 281 -49.663 -12.675 34.185 1.00 93.19 C +ATOM 2266 ND2 ASN A 281 -50.196 -13.859 34.378 1.00 93.19 N +ATOM 2267 OD1 ASN A 281 -48.572 -12.428 34.668 1.00 93.19 O +ATOM 2268 N SER A 282 -51.615 -8.836 32.355 1.00 93.50 N +ATOM 2269 CA SER A 282 -52.193 -7.917 31.366 1.00 93.50 C +ATOM 2270 C SER A 282 -51.331 -6.666 31.184 1.00 93.50 C +ATOM 2271 CB SER A 282 -53.613 -7.525 31.787 1.00 93.50 C +ATOM 2272 O SER A 282 -51.043 -6.278 30.055 1.00 93.50 O +ATOM 2273 OG SER A 282 -54.250 -6.801 30.755 1.00 93.50 O +ATOM 2274 N ASN A 283 -50.853 -6.073 32.281 1.00 94.38 N +ATOM 2275 CA ASN A 283 -49.985 -4.895 32.242 1.00 94.38 C +ATOM 2276 C ASN A 283 -48.624 -5.206 31.601 1.00 94.38 C +ATOM 2277 CB ASN A 283 -49.828 -4.344 33.671 1.00 94.38 C +ATOM 2278 O ASN A 283 -48.133 -4.421 30.795 1.00 94.38 O +ATOM 2279 CG ASN A 283 -51.120 -3.768 34.228 1.00 94.38 C +ATOM 2280 ND2 ASN A 283 -51.203 -3.564 35.522 1.00 94.38 N +ATOM 2281 OD1 ASN A 283 -52.066 -3.482 33.518 1.00 94.38 O +ATOM 2282 N LEU A 284 -48.031 -6.367 31.909 1.00 93.69 N +ATOM 2283 CA LEU A 284 -46.778 -6.812 31.290 1.00 93.69 C +ATOM 2284 C LEU A 284 -46.939 -7.066 29.785 1.00 93.69 C +ATOM 2285 CB LEU A 284 -46.271 -8.083 31.996 1.00 93.69 C +ATOM 2286 O LEU A 284 -46.070 -6.684 29.004 1.00 93.69 O +ATOM 2287 CG LEU A 284 -45.741 -7.866 33.424 1.00 93.69 C +ATOM 2288 CD1 LEU A 284 -45.436 -9.224 34.061 1.00 93.69 C +ATOM 2289 CD2 LEU A 284 -44.465 -7.023 33.455 1.00 93.69 C +ATOM 2290 N VAL A 285 -48.054 -7.673 29.367 1.00 93.12 N +ATOM 2291 CA VAL A 285 -48.368 -7.879 27.944 1.00 93.12 C +ATOM 2292 C VAL A 285 -48.592 -6.543 27.232 1.00 93.12 C +ATOM 2293 CB VAL A 285 -49.577 -8.822 27.778 1.00 93.12 C +ATOM 2294 O VAL A 285 -48.103 -6.381 26.115 1.00 93.12 O +ATOM 2295 CG1 VAL A 285 -50.085 -8.894 26.331 1.00 93.12 C +ATOM 2296 CG2 VAL A 285 -49.198 -10.255 28.182 1.00 93.12 C +ATOM 2297 N GLY A 286 -49.272 -5.587 27.874 1.00 94.19 N +ATOM 2298 CA GLY A 286 -49.458 -4.227 27.361 1.00 94.19 C +ATOM 2299 C GLY A 286 -48.130 -3.501 27.142 1.00 94.19 C +ATOM 2300 O GLY A 286 -47.860 -3.055 26.030 1.00 94.19 O +ATOM 2301 N ALA A 287 -47.255 -3.487 28.153 1.00 93.50 N +ATOM 2302 CA ALA A 287 -45.925 -2.880 28.057 1.00 93.50 C +ATOM 2303 C ALA A 287 -45.068 -3.523 26.950 1.00 93.50 C +ATOM 2304 CB ALA A 287 -45.247 -2.992 29.428 1.00 93.50 C +ATOM 2305 O ALA A 287 -44.470 -2.822 26.137 1.00 93.50 O +ATOM 2306 N ALA A 288 -45.068 -4.858 26.851 1.00 92.81 N +ATOM 2307 CA ALA A 288 -44.361 -5.562 25.781 1.00 92.81 C +ATOM 2308 C ALA A 288 -44.929 -5.235 24.383 1.00 92.81 C +ATOM 2309 CB ALA A 288 -44.423 -7.066 26.072 1.00 92.81 C +ATOM 2310 O ALA A 288 -44.177 -5.157 23.410 1.00 92.81 O +ATOM 2311 N HIS A 289 -46.246 -5.024 24.264 1.00 93.38 N +ATOM 2312 CA HIS A 289 -46.872 -4.581 23.015 1.00 93.38 C +ATOM 2313 C HIS A 289 -46.462 -3.156 22.635 1.00 93.38 C +ATOM 2314 CB HIS A 289 -48.405 -4.700 23.092 1.00 93.38 C +ATOM 2315 O HIS A 289 -46.172 -2.910 21.465 1.00 93.38 O +ATOM 2316 CG HIS A 289 -48.937 -5.765 22.173 1.00 93.38 C +ATOM 2317 CD2 HIS A 289 -49.561 -5.576 20.970 1.00 93.38 C +ATOM 2318 ND1 HIS A 289 -48.834 -7.119 22.371 1.00 93.38 N +ATOM 2319 CE1 HIS A 289 -49.387 -7.736 21.314 1.00 93.38 C +ATOM 2320 NE2 HIS A 289 -49.836 -6.836 20.423 1.00 93.38 N +ATOM 2321 N GLU A 290 -46.400 -2.233 23.595 1.00 93.69 N +ATOM 2322 CA GLU A 290 -45.945 -0.857 23.361 1.00 93.69 C +ATOM 2323 C GLU A 290 -44.475 -0.818 22.915 1.00 93.69 C +ATOM 2324 CB GLU A 290 -46.143 -0.015 24.629 1.00 93.69 C +ATOM 2325 O GLU A 290 -44.144 -0.145 21.939 1.00 93.69 O +ATOM 2326 CG GLU A 290 -47.624 0.285 24.912 1.00 93.69 C +ATOM 2327 CD GLU A 290 -47.845 1.061 26.223 1.00 93.69 C +ATOM 2328 OE1 GLU A 290 -49.029 1.291 26.556 1.00 93.69 O +ATOM 2329 OE2 GLU A 290 -46.844 1.437 26.878 1.00 93.69 O +ATOM 2330 N GLU A 291 -43.595 -1.601 23.546 1.00 93.50 N +ATOM 2331 CA GLU A 291 -42.189 -1.736 23.132 1.00 93.50 C +ATOM 2332 C GLU A 291 -42.055 -2.338 21.720 1.00 93.50 C +ATOM 2333 CB GLU A 291 -41.435 -2.619 24.136 1.00 93.50 C +ATOM 2334 O GLU A 291 -41.254 -1.879 20.893 1.00 93.50 O +ATOM 2335 CG GLU A 291 -41.200 -1.934 25.492 1.00 93.50 C +ATOM 2336 CD GLU A 291 -40.448 -2.827 26.497 1.00 93.50 C +ATOM 2337 OE1 GLU A 291 -40.207 -2.345 27.628 1.00 93.50 O +ATOM 2338 OE2 GLU A 291 -40.072 -3.966 26.130 1.00 93.50 O +ATOM 2339 N LEU A 292 -42.877 -3.341 21.394 1.00 93.50 N +ATOM 2340 CA LEU A 292 -42.936 -3.918 20.050 1.00 93.50 C +ATOM 2341 C LEU A 292 -43.424 -2.886 19.018 1.00 93.50 C +ATOM 2342 CB LEU A 292 -43.846 -5.155 20.064 1.00 93.50 C +ATOM 2343 O LEU A 292 -42.883 -2.808 17.917 1.00 93.50 O +ATOM 2344 CG LEU A 292 -43.766 -5.972 18.761 1.00 93.50 C +ATOM 2345 CD1 LEU A 292 -42.547 -6.897 18.746 1.00 93.50 C +ATOM 2346 CD2 LEU A 292 -45.022 -6.826 18.604 1.00 93.50 C +ATOM 2347 N GLN A 293 -44.424 -2.072 19.353 1.00 95.94 N +ATOM 2348 CA GLN A 293 -44.915 -1.011 18.471 1.00 95.94 C +ATOM 2349 C GLN A 293 -43.859 0.081 18.257 1.00 95.94 C +ATOM 2350 CB GLN A 293 -46.211 -0.419 19.036 1.00 95.94 C +ATOM 2351 O GLN A 293 -43.617 0.478 17.118 1.00 95.94 O +ATOM 2352 CG GLN A 293 -47.419 -1.343 18.818 1.00 95.94 C +ATOM 2353 CD GLN A 293 -48.696 -0.783 19.437 1.00 95.94 C +ATOM 2354 NE2 GLN A 293 -49.844 -1.356 19.148 1.00 95.94 N +ATOM 2355 OE1 GLN A 293 -48.707 0.187 20.170 1.00 95.94 O +ATOM 2356 N GLN A 294 -43.166 0.512 19.313 1.00 96.19 N +ATOM 2357 CA GLN A 294 -42.076 1.488 19.213 1.00 96.19 C +ATOM 2358 C GLN A 294 -40.914 0.968 18.359 1.00 96.19 C +ATOM 2359 CB GLN A 294 -41.559 1.832 20.615 1.00 96.19 C +ATOM 2360 O GLN A 294 -40.375 1.701 17.525 1.00 96.19 O +ATOM 2361 CG GLN A 294 -42.536 2.700 21.420 1.00 96.19 C +ATOM 2362 CD GLN A 294 -42.046 2.938 22.845 1.00 96.19 C +ATOM 2363 NE2 GLN A 294 -42.893 3.418 23.727 1.00 96.19 N +ATOM 2364 OE1 GLN A 294 -40.891 2.731 23.186 1.00 96.19 O +ATOM 2365 N SER A 295 -40.532 -0.302 18.527 1.00 93.62 N +ATOM 2366 CA SER A 295 -39.487 -0.916 17.702 1.00 93.62 C +ATOM 2367 C SER A 295 -39.908 -1.058 16.237 1.00 93.62 C +ATOM 2368 CB SER A 295 -39.012 -2.250 18.283 1.00 93.62 C +ATOM 2369 O SER A 295 -39.088 -0.780 15.365 1.00 93.62 O +ATOM 2370 OG SER A 295 -40.071 -3.158 18.445 1.00 93.62 O +ATOM 2371 N ARG A 296 -41.177 -1.382 15.948 1.00 96.38 N +ATOM 2372 CA ARG A 296 -41.721 -1.383 14.576 1.00 96.38 C +ATOM 2373 C ARG A 296 -41.648 -0.004 13.923 1.00 96.38 C +ATOM 2374 CB ARG A 296 -43.160 -1.912 14.560 1.00 96.38 C +ATOM 2375 O ARG A 296 -41.035 0.114 12.870 1.00 96.38 O +ATOM 2376 CG ARG A 296 -43.213 -3.437 14.706 1.00 96.38 C +ATOM 2377 CD ARG A 296 -44.674 -3.879 14.801 1.00 96.38 C +ATOM 2378 NE ARG A 296 -44.789 -5.336 14.989 1.00 96.38 N +ATOM 2379 NH1 ARG A 296 -47.040 -5.494 14.575 1.00 96.38 N +ATOM 2380 NH2 ARG A 296 -45.885 -7.330 15.098 1.00 96.38 N +ATOM 2381 CZ ARG A 296 -45.899 -6.044 14.887 1.00 96.38 C +ATOM 2382 N ILE A 297 -42.147 1.045 14.586 1.00 96.50 N +ATOM 2383 CA ILE A 297 -42.073 2.429 14.074 1.00 96.50 C +ATOM 2384 C ILE A 297 -40.615 2.833 13.808 1.00 96.50 C +ATOM 2385 CB ILE A 297 -42.749 3.408 15.066 1.00 96.50 C +ATOM 2386 O ILE A 297 -40.301 3.459 12.793 1.00 96.50 O +ATOM 2387 CG1 ILE A 297 -44.270 3.142 15.144 1.00 96.50 C +ATOM 2388 CG2 ILE A 297 -42.498 4.877 14.665 1.00 96.50 C +ATOM 2389 CD1 ILE A 297 -44.960 3.833 16.329 1.00 96.50 C +ATOM 2390 N ARG A 298 -39.692 2.452 14.701 1.00 96.81 N +ATOM 2391 CA ARG A 298 -38.262 2.723 14.520 1.00 96.81 C +ATOM 2392 C ARG A 298 -37.694 2.001 13.299 1.00 96.81 C +ATOM 2393 CB ARG A 298 -37.510 2.367 15.805 1.00 96.81 C +ATOM 2394 O ARG A 298 -36.962 2.632 12.539 1.00 96.81 O +ATOM 2395 CG ARG A 298 -36.047 2.817 15.730 1.00 96.81 C +ATOM 2396 CD ARG A 298 -35.370 2.578 17.079 1.00 96.81 C +ATOM 2397 NE ARG A 298 -33.968 3.030 17.058 1.00 96.81 N +ATOM 2398 NH1 ARG A 298 -33.553 2.730 19.294 1.00 96.81 N +ATOM 2399 NH2 ARG A 298 -31.927 3.483 17.957 1.00 96.81 N +ATOM 2400 CZ ARG A 298 -33.159 3.081 18.100 1.00 96.81 C +ATOM 2401 N ILE A 299 -38.025 0.726 13.103 1.00 95.62 N +ATOM 2402 CA ILE A 299 -37.618 -0.037 11.915 1.00 95.62 C +ATOM 2403 C ILE A 299 -38.151 0.641 10.654 1.00 95.62 C +ATOM 2404 CB ILE A 299 -38.055 -1.515 12.025 1.00 95.62 C +ATOM 2405 O ILE A 299 -37.351 0.938 9.775 1.00 95.62 O +ATOM 2406 CG1 ILE A 299 -37.202 -2.227 13.101 1.00 95.62 C +ATOM 2407 CG2 ILE A 299 -37.909 -2.246 10.676 1.00 95.62 C +ATOM 2408 CD1 ILE A 299 -37.789 -3.567 13.562 1.00 95.62 C +ATOM 2409 N ASP A 300 -39.436 0.992 10.604 1.00 96.62 N +ATOM 2410 CA ASP A 300 -40.042 1.638 9.434 1.00 96.62 C +ATOM 2411 C ASP A 300 -39.362 2.977 9.109 1.00 96.62 C +ATOM 2412 CB ASP A 300 -41.550 1.834 9.669 1.00 96.62 C +ATOM 2413 O ASP A 300 -39.015 3.247 7.957 1.00 96.62 O +ATOM 2414 CG ASP A 300 -42.335 0.519 9.771 1.00 96.62 C +ATOM 2415 OD1 ASP A 300 -41.859 -0.500 9.220 1.00 96.62 O +ATOM 2416 OD2 ASP A 300 -43.414 0.545 10.404 1.00 96.62 O +ATOM 2417 N SER A 301 -39.071 3.790 10.132 1.00 96.25 N +ATOM 2418 CA SER A 301 -38.354 5.060 9.960 1.00 96.25 C +ATOM 2419 C SER A 301 -36.923 4.879 9.437 1.00 96.25 C +ATOM 2420 CB SER A 301 -38.353 5.856 11.270 1.00 96.25 C +ATOM 2421 O SER A 301 -36.475 5.639 8.577 1.00 96.25 O +ATOM 2422 OG SER A 301 -37.460 5.320 12.233 1.00 96.25 O +ATOM 2423 N LEU A 302 -36.201 3.862 9.922 1.00 96.19 N +ATOM 2424 CA LEU A 302 -34.842 3.557 9.475 1.00 96.19 C +ATOM 2425 C LEU A 302 -34.847 2.954 8.067 1.00 96.19 C +ATOM 2426 CB LEU A 302 -34.161 2.616 10.483 1.00 96.19 C +ATOM 2427 O LEU A 302 -33.993 3.299 7.256 1.00 96.19 O +ATOM 2428 CG LEU A 302 -33.760 3.283 11.812 1.00 96.19 C +ATOM 2429 CD1 LEU A 302 -33.260 2.214 12.788 1.00 96.19 C +ATOM 2430 CD2 LEU A 302 -32.637 4.311 11.637 1.00 96.19 C +ATOM 2431 N SER A 303 -35.828 2.113 7.744 1.00 95.94 N +ATOM 2432 CA SER A 303 -36.035 1.569 6.402 1.00 95.94 C +ATOM 2433 C SER A 303 -36.349 2.671 5.386 1.00 95.94 C +ATOM 2434 CB SER A 303 -37.160 0.530 6.441 1.00 95.94 C +ATOM 2435 O SER A 303 -35.790 2.658 4.287 1.00 95.94 O +ATOM 2436 OG SER A 303 -36.713 -0.622 7.132 1.00 95.94 O +ATOM 2437 N ALA A 304 -37.158 3.669 5.756 1.00 95.00 N +ATOM 2438 CA ALA A 304 -37.410 4.844 4.922 1.00 95.00 C +ATOM 2439 C ALA A 304 -36.133 5.675 4.691 1.00 95.00 C +ATOM 2440 CB ALA A 304 -38.527 5.675 5.565 1.00 95.00 C +ATOM 2441 O ALA A 304 -35.832 6.033 3.551 1.00 95.00 O +ATOM 2442 N GLN A 305 -35.333 5.913 5.739 1.00 96.75 N +ATOM 2443 CA GLN A 305 -34.046 6.613 5.622 1.00 96.75 C +ATOM 2444 C GLN A 305 -33.045 5.852 4.744 1.00 96.75 C +ATOM 2445 CB GLN A 305 -33.430 6.837 7.009 1.00 96.75 C +ATOM 2446 O GLN A 305 -32.381 6.458 3.904 1.00 96.75 O +ATOM 2447 CG GLN A 305 -34.158 7.928 7.802 1.00 96.75 C +ATOM 2448 CD GLN A 305 -33.637 8.038 9.231 1.00 96.75 C +ATOM 2449 NE2 GLN A 305 -34.497 8.300 10.189 1.00 96.75 N +ATOM 2450 OE1 GLN A 305 -32.460 7.898 9.525 1.00 96.75 O +ATOM 2451 N LEU A 306 -32.956 4.526 4.887 1.00 93.94 N +ATOM 2452 CA LEU A 306 -32.109 3.689 4.036 1.00 93.94 C +ATOM 2453 C LEU A 306 -32.545 3.763 2.570 1.00 93.94 C +ATOM 2454 CB LEU A 306 -32.128 2.234 4.538 1.00 93.94 C +ATOM 2455 O LEU A 306 -31.697 3.945 1.700 1.00 93.94 O +ATOM 2456 CG LEU A 306 -31.270 1.981 5.790 1.00 93.94 C +ATOM 2457 CD1 LEU A 306 -31.517 0.557 6.290 1.00 93.94 C +ATOM 2458 CD2 LEU A 306 -29.772 2.128 5.502 1.00 93.94 C +ATOM 2459 N SER A 307 -33.851 3.698 2.291 1.00 95.56 N +ATOM 2460 CA SER A 307 -34.377 3.860 0.930 1.00 95.56 C +ATOM 2461 C SER A 307 -34.062 5.248 0.356 1.00 95.56 C +ATOM 2462 CB SER A 307 -35.888 3.612 0.922 1.00 95.56 C +ATOM 2463 O SER A 307 -33.655 5.364 -0.802 1.00 95.56 O +ATOM 2464 OG SER A 307 -36.378 3.647 -0.408 1.00 95.56 O +ATOM 2465 N GLN A 308 -34.174 6.308 1.162 1.00 95.19 N +ATOM 2466 CA GLN A 308 -33.828 7.668 0.747 1.00 95.19 C +ATOM 2467 C GLN A 308 -32.331 7.812 0.440 1.00 95.19 C +ATOM 2468 CB GLN A 308 -34.278 8.656 1.832 1.00 95.19 C +ATOM 2469 O GLN A 308 -31.973 8.352 -0.608 1.00 95.19 O +ATOM 2470 CG GLN A 308 -34.099 10.119 1.394 1.00 95.19 C +ATOM 2471 CD GLN A 308 -34.587 11.111 2.446 1.00 95.19 C +ATOM 2472 NE2 GLN A 308 -34.657 12.384 2.125 1.00 95.19 N +ATOM 2473 OE1 GLN A 308 -34.907 10.774 3.572 1.00 95.19 O +ATOM 2474 N LEU A 309 -31.453 7.299 1.307 1.00 94.62 N +ATOM 2475 CA LEU A 309 -30.004 7.323 1.089 1.00 94.62 C +ATOM 2476 C LEU A 309 -29.597 6.495 -0.136 1.00 94.62 C +ATOM 2477 CB LEU A 309 -29.279 6.828 2.352 1.00 94.62 C +ATOM 2478 O LEU A 309 -28.747 6.935 -0.906 1.00 94.62 O +ATOM 2479 CG LEU A 309 -29.276 7.830 3.522 1.00 94.62 C +ATOM 2480 CD1 LEU A 309 -28.676 7.159 4.758 1.00 94.62 C +ATOM 2481 CD2 LEU A 309 -28.444 9.079 3.215 1.00 94.62 C +ATOM 2482 N GLN A 310 -30.237 5.347 -0.375 1.00 95.38 N +ATOM 2483 CA GLN A 310 -30.028 4.550 -1.589 1.00 95.38 C +ATOM 2484 C GLN A 310 -30.433 5.314 -2.858 1.00 95.38 C +ATOM 2485 CB GLN A 310 -30.816 3.238 -1.490 1.00 95.38 C +ATOM 2486 O GLN A 310 -29.673 5.330 -3.827 1.00 95.38 O +ATOM 2487 CG GLN A 310 -30.135 2.212 -0.573 1.00 95.38 C +ATOM 2488 CD GLN A 310 -30.985 0.962 -0.362 1.00 95.38 C +ATOM 2489 NE2 GLN A 310 -30.406 -0.106 0.141 1.00 95.38 N +ATOM 2490 OE1 GLN A 310 -32.172 0.905 -0.640 1.00 95.38 O +ATOM 2491 N LYS A 311 -31.583 6.005 -2.854 1.00 94.69 N +ATOM 2492 CA LYS A 311 -31.998 6.875 -3.972 1.00 94.69 C +ATOM 2493 C LYS A 311 -31.001 8.011 -4.206 1.00 94.69 C +ATOM 2494 CB LYS A 311 -33.398 7.455 -3.716 1.00 94.69 C +ATOM 2495 O LYS A 311 -30.649 8.294 -5.350 1.00 94.69 O +ATOM 2496 CG LYS A 311 -34.527 6.430 -3.896 1.00 94.69 C +ATOM 2497 CD LYS A 311 -35.873 7.078 -3.543 1.00 94.69 C +ATOM 2498 CE LYS A 311 -37.026 6.078 -3.679 1.00 94.69 C +ATOM 2499 NZ LYS A 311 -38.333 6.713 -3.366 1.00 94.69 N +ATOM 2500 N GLN A 312 -30.518 8.644 -3.137 1.00 96.56 N +ATOM 2501 CA GLN A 312 -29.510 9.700 -3.234 1.00 96.56 C +ATOM 2502 C GLN A 312 -28.186 9.176 -3.793 1.00 96.56 C +ATOM 2503 CB GLN A 312 -29.278 10.350 -1.867 1.00 96.56 C +ATOM 2504 O GLN A 312 -27.611 9.828 -4.661 1.00 96.56 O +ATOM 2505 CG GLN A 312 -30.440 11.264 -1.455 1.00 96.56 C +ATOM 2506 CD GLN A 312 -30.213 11.916 -0.096 1.00 96.56 C +ATOM 2507 NE2 GLN A 312 -31.063 12.837 0.300 1.00 96.56 N +ATOM 2508 OE1 GLN A 312 -29.266 11.644 0.622 1.00 96.56 O +ATOM 2509 N LEU A 313 -27.723 8.005 -3.349 1.00 92.19 N +ATOM 2510 CA LEU A 313 -26.517 7.372 -3.877 1.00 92.19 C +ATOM 2511 C LEU A 313 -26.654 7.117 -5.382 1.00 92.19 C +ATOM 2512 CB LEU A 313 -26.234 6.079 -3.094 1.00 92.19 C +ATOM 2513 O LEU A 313 -25.821 7.594 -6.147 1.00 92.19 O +ATOM 2514 CG LEU A 313 -24.935 5.371 -3.524 1.00 92.19 C +ATOM 2515 CD1 LEU A 313 -23.694 6.182 -3.141 1.00 92.19 C +ATOM 2516 CD2 LEU A 313 -24.851 4.006 -2.845 1.00 92.19 C +ATOM 2517 N ALA A 314 -27.752 6.491 -5.815 1.00 94.50 N +ATOM 2518 CA ALA A 314 -28.016 6.236 -7.231 1.00 94.50 C +ATOM 2519 C ALA A 314 -28.056 7.533 -8.065 1.00 94.50 C +ATOM 2520 CB ALA A 314 -29.335 5.462 -7.337 1.00 94.50 C +ATOM 2521 O ALA A 314 -27.504 7.586 -9.166 1.00 94.50 O +ATOM 2522 N ALA A 315 -28.652 8.606 -7.533 1.00 94.56 N +ATOM 2523 CA ALA A 315 -28.678 9.914 -8.189 1.00 94.56 C +ATOM 2524 C ALA A 315 -27.281 10.556 -8.285 1.00 94.56 C +ATOM 2525 CB ALA A 315 -29.658 10.819 -7.432 1.00 94.56 C +ATOM 2526 O ALA A 315 -26.937 11.159 -9.305 1.00 94.56 O +ATOM 2527 N LYS A 316 -26.449 10.431 -7.243 1.00 94.75 N +ATOM 2528 CA LYS A 316 -25.064 10.930 -7.258 1.00 94.75 C +ATOM 2529 C LYS A 316 -24.185 10.120 -8.209 1.00 94.75 C +ATOM 2530 CB LYS A 316 -24.469 10.935 -5.840 1.00 94.75 C +ATOM 2531 O LYS A 316 -23.415 10.722 -8.950 1.00 94.75 O +ATOM 2532 CG LYS A 316 -25.127 11.931 -4.872 1.00 94.75 C +ATOM 2533 CD LYS A 316 -24.937 13.406 -5.239 1.00 94.75 C +ATOM 2534 CE LYS A 316 -25.629 14.231 -4.146 1.00 94.75 C +ATOM 2535 NZ LYS A 316 -25.593 15.685 -4.423 1.00 94.75 N +ATOM 2536 N GLU A 317 -24.336 8.801 -8.242 1.00 96.81 N +ATOM 2537 CA GLU A 317 -23.646 7.921 -9.190 1.00 96.81 C +ATOM 2538 C GLU A 317 -24.046 8.215 -10.640 1.00 96.81 C +ATOM 2539 CB GLU A 317 -23.971 6.459 -8.868 1.00 96.81 C +ATOM 2540 O GLU A 317 -23.184 8.251 -11.514 1.00 96.81 O +ATOM 2541 CG GLU A 317 -23.266 5.956 -7.600 1.00 96.81 C +ATOM 2542 CD GLU A 317 -23.667 4.516 -7.244 1.00 96.81 C +ATOM 2543 OE1 GLU A 317 -23.021 3.958 -6.331 1.00 96.81 O +ATOM 2544 OE2 GLU A 317 -24.614 3.991 -7.877 1.00 96.81 O +ATOM 2545 N ALA A 318 -25.330 8.480 -10.908 1.00 94.06 N +ATOM 2546 CA ALA A 318 -25.784 8.921 -12.227 1.00 94.06 C +ATOM 2547 C ALA A 318 -25.128 10.247 -12.635 1.00 94.06 C +ATOM 2548 CB ALA A 318 -27.314 9.003 -12.233 1.00 94.06 C +ATOM 2549 O ALA A 318 -24.564 10.343 -13.720 1.00 94.06 O +ATOM 2550 N LYS A 319 -25.096 11.229 -11.726 1.00 95.31 N +ATOM 2551 CA LYS A 319 -24.442 12.518 -11.979 1.00 95.31 C +ATOM 2552 C LYS A 319 -22.934 12.385 -12.218 1.00 95.31 C +ATOM 2553 CB LYS A 319 -24.757 13.469 -10.818 1.00 95.31 C +ATOM 2554 O LYS A 319 -22.390 13.122 -13.034 1.00 95.31 O +ATOM 2555 CG LYS A 319 -24.277 14.893 -11.124 1.00 95.31 C +ATOM 2556 CD LYS A 319 -24.740 15.880 -10.050 1.00 95.31 C +ATOM 2557 CE LYS A 319 -24.309 17.286 -10.480 1.00 95.31 C +ATOM 2558 NZ LYS A 319 -24.852 18.337 -9.586 1.00 95.31 N +ATOM 2559 N LEU A 320 -22.252 11.483 -11.510 1.00 92.62 N +ATOM 2560 CA LEU A 320 -20.832 11.206 -11.746 1.00 92.62 C +ATOM 2561 C LEU A 320 -20.611 10.609 -13.137 1.00 92.62 C +ATOM 2562 CB LEU A 320 -20.271 10.282 -10.653 1.00 92.62 C +ATOM 2563 O LEU A 320 -19.760 11.116 -13.861 1.00 92.62 O +ATOM 2564 CG LEU A 320 -20.003 10.984 -9.312 1.00 92.62 C +ATOM 2565 CD1 LEU A 320 -19.645 9.942 -8.252 1.00 92.62 C +ATOM 2566 CD2 LEU A 320 -18.850 11.990 -9.397 1.00 92.62 C +ATOM 2567 N ARG A 321 -21.428 9.627 -13.540 1.00 95.00 N +ATOM 2568 CA ARG A 321 -21.383 9.051 -14.893 1.00 95.00 C +ATOM 2569 C ARG A 321 -21.598 10.111 -15.977 1.00 95.00 C +ATOM 2570 CB ARG A 321 -22.403 7.907 -15.015 1.00 95.00 C +ATOM 2571 O ARG A 321 -20.811 10.191 -16.913 1.00 95.00 O +ATOM 2572 CG ARG A 321 -21.902 6.639 -14.310 1.00 95.00 C +ATOM 2573 CD ARG A 321 -22.875 5.461 -14.461 1.00 95.00 C +ATOM 2574 NE ARG A 321 -23.945 5.468 -13.440 1.00 95.00 N +ATOM 2575 NH1 ARG A 321 -25.739 6.017 -14.768 1.00 95.00 N +ATOM 2576 NH2 ARG A 321 -26.063 5.489 -12.619 1.00 95.00 N +ATOM 2577 CZ ARG A 321 -25.240 5.653 -13.618 1.00 95.00 C +ATOM 2578 N ASP A 322 -22.590 10.987 -15.814 1.00 94.75 N +ATOM 2579 CA ASP A 322 -22.848 12.075 -16.769 1.00 94.75 C +ATOM 2580 C ASP A 322 -21.668 13.058 -16.873 1.00 94.75 C +ATOM 2581 CB ASP A 322 -24.107 12.852 -16.352 1.00 94.75 C +ATOM 2582 O ASP A 322 -21.335 13.534 -17.965 1.00 94.75 O +ATOM 2583 CG ASP A 322 -25.416 12.065 -16.472 1.00 94.75 C +ATOM 2584 OD1 ASP A 322 -25.471 11.112 -17.279 1.00 94.75 O +ATOM 2585 OD2 ASP A 322 -26.372 12.473 -15.773 1.00 94.75 O +ATOM 2586 N LEU A 323 -21.014 13.361 -15.744 1.00 93.75 N +ATOM 2587 CA LEU A 323 -19.836 14.229 -15.700 1.00 93.75 C +ATOM 2588 C LEU A 323 -18.617 13.569 -16.352 1.00 93.75 C +ATOM 2589 CB LEU A 323 -19.522 14.638 -14.250 1.00 93.75 C +ATOM 2590 O LEU A 323 -17.932 14.223 -17.139 1.00 93.75 O +ATOM 2591 CG LEU A 323 -20.473 15.697 -13.667 1.00 93.75 C +ATOM 2592 CD1 LEU A 323 -20.170 15.887 -12.178 1.00 93.75 C +ATOM 2593 CD2 LEU A 323 -20.326 17.060 -14.349 1.00 93.75 C +ATOM 2594 N GLU A 324 -18.363 12.293 -16.076 1.00 95.94 N +ATOM 2595 CA GLU A 324 -17.290 11.520 -16.710 1.00 95.94 C +ATOM 2596 C GLU A 324 -17.472 11.453 -18.227 1.00 95.94 C +ATOM 2597 CB GLU A 324 -17.251 10.105 -16.119 1.00 95.94 C +ATOM 2598 O GLU A 324 -16.536 11.749 -18.976 1.00 95.94 O +ATOM 2599 CG GLU A 324 -16.664 10.106 -14.701 1.00 95.94 C +ATOM 2600 CD GLU A 324 -16.710 8.727 -14.025 1.00 95.94 C +ATOM 2601 OE1 GLU A 324 -16.014 8.594 -12.993 1.00 95.94 O +ATOM 2602 OE2 GLU A 324 -17.414 7.822 -14.526 1.00 95.94 O +ATOM 2603 N ASP A 325 -18.693 11.175 -18.680 1.00 95.19 N +ATOM 2604 CA ASP A 325 -19.052 11.178 -20.090 1.00 95.19 C +ATOM 2605 C ASP A 325 -18.876 12.567 -20.727 1.00 95.19 C +ATOM 2606 CB ASP A 325 -20.517 10.769 -20.231 1.00 95.19 C +ATOM 2607 O ASP A 325 -18.381 12.688 -21.849 1.00 95.19 O +ATOM 2608 CG ASP A 325 -20.827 9.280 -20.270 1.00 95.19 C +ATOM 2609 OD1 ASP A 325 -19.894 8.459 -20.160 1.00 95.19 O +ATOM 2610 OD2 ASP A 325 -22.006 9.017 -20.601 1.00 95.19 O +ATOM 2611 N SER A 326 -19.276 13.644 -20.038 1.00 94.50 N +ATOM 2612 CA SER A 326 -19.087 15.017 -20.529 1.00 94.50 C +ATOM 2613 C SER A 326 -17.605 15.364 -20.688 1.00 94.50 C +ATOM 2614 CB SER A 326 -19.818 16.030 -19.638 1.00 94.50 C +ATOM 2615 O SER A 326 -17.199 15.885 -21.726 1.00 94.50 O +ATOM 2616 OG SER A 326 -19.175 16.277 -18.404 1.00 94.50 O +ATOM 2617 N LEU A 327 -16.778 14.966 -19.721 1.00 94.12 N +ATOM 2618 CA LEU A 327 -15.340 15.192 -19.735 1.00 94.12 C +ATOM 2619 C LEU A 327 -14.647 14.348 -20.814 1.00 94.12 C +ATOM 2620 CB LEU A 327 -14.825 14.867 -18.325 1.00 94.12 C +ATOM 2621 O LEU A 327 -13.693 14.803 -21.447 1.00 94.12 O +ATOM 2622 CG LEU A 327 -13.330 15.138 -18.120 1.00 94.12 C +ATOM 2623 CD1 LEU A 327 -12.966 16.615 -18.259 1.00 94.12 C +ATOM 2624 CD2 LEU A 327 -12.934 14.667 -16.719 1.00 94.12 C +ATOM 2625 N ALA A 328 -15.119 13.123 -21.053 1.00 94.62 N +ATOM 2626 CA ALA A 328 -14.658 12.292 -22.160 1.00 94.62 C +ATOM 2627 C ALA A 328 -14.970 12.956 -23.510 1.00 94.62 C +ATOM 2628 CB ALA A 328 -15.287 10.901 -22.036 1.00 94.62 C +ATOM 2629 O ALA A 328 -14.067 13.118 -24.334 1.00 94.62 O +ATOM 2630 N ARG A 329 -16.206 13.445 -23.693 1.00 95.38 N +ATOM 2631 CA ARG A 329 -16.608 14.192 -24.895 1.00 95.38 C +ATOM 2632 C ARG A 329 -15.743 15.439 -25.103 1.00 95.38 C +ATOM 2633 CB ARG A 329 -18.103 14.553 -24.834 1.00 95.38 C +ATOM 2634 O ARG A 329 -15.278 15.644 -26.221 1.00 95.38 O +ATOM 2635 CG ARG A 329 -19.026 13.329 -24.965 1.00 95.38 C +ATOM 2636 CD ARG A 329 -20.491 13.723 -24.718 1.00 95.38 C +ATOM 2637 NE ARG A 329 -21.338 12.539 -24.442 1.00 95.38 N +ATOM 2638 NH1 ARG A 329 -21.935 13.041 -22.273 1.00 95.38 N +ATOM 2639 NH2 ARG A 329 -22.531 11.082 -23.142 1.00 95.38 N +ATOM 2640 CZ ARG A 329 -21.935 12.233 -23.297 1.00 95.38 C +ATOM 2641 N GLU A 330 -15.470 16.219 -24.055 1.00 94.25 N +ATOM 2642 CA GLU A 330 -14.606 17.412 -24.123 1.00 94.25 C +ATOM 2643 C GLU A 330 -13.154 17.084 -24.506 1.00 94.25 C +ATOM 2644 CB GLU A 330 -14.593 18.143 -22.775 1.00 94.25 C +ATOM 2645 O GLU A 330 -12.524 17.785 -25.312 1.00 94.25 O +ATOM 2646 CG GLU A 330 -15.864 18.971 -22.543 1.00 94.25 C +ATOM 2647 CD GLU A 330 -15.819 19.768 -21.229 1.00 94.25 C +ATOM 2648 OE1 GLU A 330 -16.794 20.515 -20.990 1.00 94.25 O +ATOM 2649 OE2 GLU A 330 -14.810 19.654 -20.492 1.00 94.25 O +ATOM 2650 N ARG A 331 -12.608 15.991 -23.963 1.00 95.25 N +ATOM 2651 CA ARG A 331 -11.273 15.504 -24.332 1.00 95.25 C +ATOM 2652 C ARG A 331 -11.227 15.082 -25.793 1.00 95.25 C +ATOM 2653 CB ARG A 331 -10.872 14.340 -23.424 1.00 95.25 C +ATOM 2654 O ARG A 331 -10.291 15.455 -26.495 1.00 95.25 O +ATOM 2655 CG ARG A 331 -10.483 14.826 -22.024 1.00 95.25 C +ATOM 2656 CD ARG A 331 -10.324 13.610 -21.113 1.00 95.25 C +ATOM 2657 NE ARG A 331 -9.890 13.999 -19.760 1.00 95.25 N +ATOM 2658 NH1 ARG A 331 -11.107 12.433 -18.588 1.00 95.25 N +ATOM 2659 NH2 ARG A 331 -9.759 13.835 -17.497 1.00 95.25 N +ATOM 2660 CZ ARG A 331 -10.255 13.422 -18.628 1.00 95.25 C +ATOM 2661 N ASP A 332 -12.235 14.363 -26.271 1.00 94.56 N +ATOM 2662 CA ASP A 332 -12.296 13.925 -27.664 1.00 94.56 C +ATOM 2663 C ASP A 332 -12.502 15.088 -28.633 1.00 94.56 C +ATOM 2664 CB ASP A 332 -13.394 12.871 -27.836 1.00 94.56 C +ATOM 2665 O ASP A 332 -11.899 15.095 -29.706 1.00 94.56 O +ATOM 2666 CG ASP A 332 -13.034 11.544 -27.164 1.00 94.56 C +ATOM 2667 OD1 ASP A 332 -11.818 11.303 -26.936 1.00 94.56 O +ATOM 2668 OD2 ASP A 332 -13.984 10.773 -26.928 1.00 94.56 O +ATOM 2669 N THR A 333 -13.297 16.101 -28.268 1.00 95.75 N +ATOM 2670 CA THR A 333 -13.397 17.336 -29.060 1.00 95.75 C +ATOM 2671 C THR A 333 -12.069 18.083 -29.104 1.00 95.75 C +ATOM 2672 CB THR A 333 -14.498 18.288 -28.563 1.00 95.75 C +ATOM 2673 O THR A 333 -11.661 18.527 -30.173 1.00 95.75 O +ATOM 2674 CG2 THR A 333 -15.901 17.744 -28.829 1.00 95.75 C +ATOM 2675 OG1 THR A 333 -14.447 18.524 -27.183 1.00 95.75 O +ATOM 2676 N SER A 334 -11.356 18.171 -27.977 1.00 92.38 N +ATOM 2677 CA SER A 334 -10.057 18.852 -27.905 1.00 92.38 C +ATOM 2678 C SER A 334 -8.989 18.127 -28.726 1.00 92.38 C +ATOM 2679 CB SER A 334 -9.590 18.974 -26.453 1.00 92.38 C +ATOM 2680 O SER A 334 -8.233 18.764 -29.454 1.00 92.38 O +ATOM 2681 OG SER A 334 -10.538 19.685 -25.683 1.00 92.38 O +ATOM 2682 N ARG A 335 -8.959 16.787 -28.670 1.00 95.69 N +ATOM 2683 CA ARG A 335 -8.072 15.954 -29.499 1.00 95.69 C +ATOM 2684 C ARG A 335 -8.348 16.135 -30.988 1.00 95.69 C +ATOM 2685 CB ARG A 335 -8.239 14.475 -29.135 1.00 95.69 C +ATOM 2686 O ARG A 335 -7.402 16.281 -31.753 1.00 95.69 O +ATOM 2687 CG ARG A 335 -7.592 14.100 -27.798 1.00 95.69 C +ATOM 2688 CD ARG A 335 -7.991 12.659 -27.471 1.00 95.69 C +ATOM 2689 NE ARG A 335 -7.572 12.267 -26.117 1.00 95.69 N +ATOM 2690 NH1 ARG A 335 -9.458 11.034 -25.536 1.00 95.69 N +ATOM 2691 NH2 ARG A 335 -7.730 11.155 -24.149 1.00 95.69 N +ATOM 2692 CZ ARG A 335 -8.260 11.496 -25.291 1.00 95.69 C +ATOM 2693 N ARG A 336 -9.623 16.158 -31.395 1.00 95.50 N +ATOM 2694 CA ARG A 336 -10.015 16.411 -32.792 1.00 95.50 C +ATOM 2695 C ARG A 336 -9.548 17.785 -33.268 1.00 95.50 C +ATOM 2696 CB ARG A 336 -11.533 16.240 -32.960 1.00 95.50 C +ATOM 2697 O ARG A 336 -8.904 17.868 -34.307 1.00 95.50 O +ATOM 2698 CG ARG A 336 -11.903 14.755 -33.074 1.00 95.50 C +ATOM 2699 CD ARG A 336 -13.415 14.549 -33.221 1.00 95.50 C +ATOM 2700 NE ARG A 336 -14.090 14.469 -31.910 1.00 95.50 N +ATOM 2701 NH1 ARG A 336 -15.691 16.092 -32.199 1.00 95.50 N +ATOM 2702 NH2 ARG A 336 -15.723 14.804 -30.370 1.00 95.50 N +ATOM 2703 CZ ARG A 336 -15.163 15.121 -31.505 1.00 95.50 C +ATOM 2704 N LEU A 337 -9.778 18.830 -32.472 1.00 95.62 N +ATOM 2705 CA LEU A 337 -9.337 20.187 -32.803 1.00 95.62 C +ATOM 2706 C LEU A 337 -7.807 20.293 -32.908 1.00 95.62 C +ATOM 2707 CB LEU A 337 -9.895 21.150 -31.742 1.00 95.62 C +ATOM 2708 O LEU A 337 -7.293 20.937 -33.819 1.00 95.62 O +ATOM 2709 CG LEU A 337 -9.591 22.632 -32.027 1.00 95.62 C +ATOM 2710 CD1 LEU A 337 -10.282 23.131 -33.297 1.00 95.62 C +ATOM 2711 CD2 LEU A 337 -10.072 23.485 -30.853 1.00 95.62 C +ATOM 2712 N LEU A 338 -7.067 19.651 -31.999 1.00 93.50 N +ATOM 2713 CA LEU A 338 -5.604 19.607 -32.064 1.00 93.50 C +ATOM 2714 C LEU A 338 -5.115 18.887 -33.323 1.00 93.50 C +ATOM 2715 CB LEU A 338 -5.038 18.945 -30.797 1.00 93.50 C +ATOM 2716 O LEU A 338 -4.257 19.425 -34.016 1.00 93.50 O +ATOM 2717 CG LEU A 338 -5.042 19.860 -29.560 1.00 93.50 C +ATOM 2718 CD1 LEU A 338 -4.704 19.034 -28.318 1.00 93.50 C +ATOM 2719 CD2 LEU A 338 -4.013 20.990 -29.674 1.00 93.50 C +ATOM 2720 N ALA A 339 -5.697 17.736 -33.665 1.00 95.50 N +ATOM 2721 CA ALA A 339 -5.350 17.000 -34.879 1.00 95.50 C +ATOM 2722 C ALA A 339 -5.630 17.818 -36.155 1.00 95.50 C +ATOM 2723 CB ALA A 339 -6.127 15.678 -34.879 1.00 95.50 C +ATOM 2724 O ALA A 339 -4.822 17.826 -37.084 1.00 95.50 O +ATOM 2725 N GLU A 340 -6.741 18.558 -36.198 1.00 96.62 N +ATOM 2726 CA GLU A 340 -7.041 19.491 -37.291 1.00 96.62 C +ATOM 2727 C GLU A 340 -5.988 20.603 -37.394 1.00 96.62 C +ATOM 2728 CB GLU A 340 -8.437 20.100 -37.098 1.00 96.62 C +ATOM 2729 O GLU A 340 -5.505 20.889 -38.490 1.00 96.62 O +ATOM 2730 CG GLU A 340 -9.564 19.108 -37.424 1.00 96.62 C +ATOM 2731 CD GLU A 340 -10.957 19.619 -37.015 1.00 96.62 C +ATOM 2732 OE1 GLU A 340 -11.909 18.809 -37.107 1.00 96.62 O +ATOM 2733 OE2 GLU A 340 -11.074 20.795 -36.600 1.00 96.62 O +ATOM 2734 N LYS A 341 -5.570 21.188 -36.263 1.00 94.12 N +ATOM 2735 CA LYS A 341 -4.527 22.226 -36.233 1.00 94.12 C +ATOM 2736 C LYS A 341 -3.149 21.691 -36.613 1.00 94.12 C +ATOM 2737 CB LYS A 341 -4.496 22.910 -34.851 1.00 94.12 C +ATOM 2738 O LYS A 341 -2.410 22.370 -37.322 1.00 94.12 O +ATOM 2739 CG LYS A 341 -5.745 23.763 -34.570 1.00 94.12 C +ATOM 2740 CD LYS A 341 -5.787 25.034 -35.430 1.00 94.12 C +ATOM 2741 CE LYS A 341 -7.221 25.551 -35.566 1.00 94.12 C +ATOM 2742 NZ LYS A 341 -7.382 26.292 -36.841 1.00 94.12 N +ATOM 2743 N GLU A 342 -2.797 20.480 -36.199 1.00 95.25 N +ATOM 2744 CA GLU A 342 -1.566 19.808 -36.628 1.00 95.25 C +ATOM 2745 C GLU A 342 -1.564 19.554 -38.138 1.00 95.25 C +ATOM 2746 CB GLU A 342 -1.399 18.487 -35.869 1.00 95.25 C +ATOM 2747 O GLU A 342 -0.553 19.807 -38.798 1.00 95.25 O +ATOM 2748 CG GLU A 342 -0.957 18.717 -34.417 1.00 95.25 C +ATOM 2749 CD GLU A 342 -0.854 17.417 -33.603 1.00 95.25 C +ATOM 2750 OE1 GLU A 342 -0.351 17.510 -32.461 1.00 95.25 O +ATOM 2751 OE2 GLU A 342 -1.254 16.347 -34.117 1.00 95.25 O +ATOM 2752 N ARG A 343 -2.708 19.142 -38.702 1.00 95.75 N +ATOM 2753 CA ARG A 343 -2.894 18.978 -40.150 1.00 95.75 C +ATOM 2754 C ARG A 343 -2.733 20.305 -40.893 1.00 95.75 C +ATOM 2755 CB ARG A 343 -4.268 18.340 -40.401 1.00 95.75 C +ATOM 2756 O ARG A 343 -1.985 20.363 -41.863 1.00 95.75 O +ATOM 2757 CG ARG A 343 -4.457 17.863 -41.848 1.00 95.75 C +ATOM 2758 CD ARG A 343 -5.899 17.374 -42.059 1.00 95.75 C +ATOM 2759 NE ARG A 343 -6.845 18.507 -42.158 1.00 95.75 N +ATOM 2760 NH1 ARG A 343 -6.634 18.842 -44.405 1.00 95.75 N +ATOM 2761 NH2 ARG A 343 -7.692 20.362 -43.192 1.00 95.75 N +ATOM 2762 CZ ARG A 343 -7.062 19.227 -43.244 1.00 95.75 C +ATOM 2763 N GLU A 344 -3.368 21.377 -40.419 1.00 96.12 N +ATOM 2764 CA GLU A 344 -3.205 22.727 -40.980 1.00 96.12 C +ATOM 2765 C GLU A 344 -1.743 23.199 -40.920 1.00 96.12 C +ATOM 2766 CB GLU A 344 -4.077 23.734 -40.212 1.00 96.12 C +ATOM 2767 O GLU A 344 -1.219 23.721 -41.903 1.00 96.12 O +ATOM 2768 CG GLU A 344 -5.585 23.647 -40.500 1.00 96.12 C +ATOM 2769 CD GLU A 344 -6.399 24.581 -39.581 1.00 96.12 C +ATOM 2770 OE1 GLU A 344 -7.643 24.494 -39.550 1.00 96.12 O +ATOM 2771 OE2 GLU A 344 -5.817 25.415 -38.846 1.00 96.12 O +ATOM 2772 N MET A 345 -1.049 22.987 -39.796 1.00 90.62 N +ATOM 2773 CA MET A 345 0.372 23.326 -39.674 1.00 90.62 C +ATOM 2774 C MET A 345 1.242 22.516 -40.637 1.00 90.62 C +ATOM 2775 CB MET A 345 0.875 23.096 -38.243 1.00 90.62 C +ATOM 2776 O MET A 345 2.171 23.071 -41.225 1.00 90.62 O +ATOM 2777 CG MET A 345 0.435 24.189 -37.269 1.00 90.62 C +ATOM 2778 SD MET A 345 1.405 24.215 -35.733 1.00 90.62 S +ATOM 2779 CE MET A 345 0.903 22.633 -34.998 1.00 90.62 C +ATOM 2780 N ALA A 346 0.962 21.223 -40.807 1.00 93.81 N +ATOM 2781 CA ALA A 346 1.669 20.376 -41.761 1.00 93.81 C +ATOM 2782 C ALA A 346 1.455 20.858 -43.204 1.00 93.81 C +ATOM 2783 CB ALA A 346 1.225 18.923 -41.564 1.00 93.81 C +ATOM 2784 O ALA A 346 2.426 20.989 -43.946 1.00 93.81 O +ATOM 2785 N GLU A 347 0.221 21.212 -43.578 1.00 96.56 N +ATOM 2786 CA GLU A 347 -0.073 21.815 -44.882 1.00 96.56 C +ATOM 2787 C GLU A 347 0.664 23.141 -45.090 1.00 96.56 C +ATOM 2788 CB GLU A 347 -1.569 22.101 -45.032 1.00 96.56 C +ATOM 2789 O GLU A 347 1.243 23.360 -46.151 1.00 96.56 O +ATOM 2790 CG GLU A 347 -2.441 20.868 -45.274 1.00 96.56 C +ATOM 2791 CD GLU A 347 -3.908 21.272 -45.483 1.00 96.56 C +ATOM 2792 OE1 GLU A 347 -4.771 20.373 -45.393 1.00 96.56 O +ATOM 2793 OE2 GLU A 347 -4.188 22.464 -45.776 1.00 96.56 O +ATOM 2794 N MET A 348 0.673 24.033 -44.094 1.00 93.62 N +ATOM 2795 CA MET A 348 1.373 25.318 -44.196 1.00 93.62 C +ATOM 2796 C MET A 348 2.887 25.136 -44.324 1.00 93.62 C +ATOM 2797 CB MET A 348 1.041 26.207 -42.990 1.00 93.62 C +ATOM 2798 O MET A 348 3.517 25.829 -45.119 1.00 93.62 O +ATOM 2799 CG MET A 348 -0.397 26.740 -43.042 1.00 93.62 C +ATOM 2800 SD MET A 348 -0.813 27.754 -44.493 1.00 93.62 S +ATOM 2801 CE MET A 348 0.189 29.230 -44.163 1.00 93.62 C +ATOM 2802 N ARG A 349 3.470 24.177 -43.594 1.00 94.25 N +ATOM 2803 CA ARG A 349 4.884 23.805 -43.745 1.00 94.25 C +ATOM 2804 C ARG A 349 5.170 23.243 -45.134 1.00 94.25 C +ATOM 2805 CB ARG A 349 5.289 22.788 -42.673 1.00 94.25 C +ATOM 2806 O ARG A 349 6.170 23.631 -45.723 1.00 94.25 O +ATOM 2807 CG ARG A 349 5.434 23.425 -41.287 1.00 94.25 C +ATOM 2808 CD ARG A 349 5.680 22.319 -40.258 1.00 94.25 C +ATOM 2809 NE ARG A 349 5.718 22.849 -38.883 1.00 94.25 N +ATOM 2810 NH1 ARG A 349 5.563 20.828 -37.805 1.00 94.25 N +ATOM 2811 NH2 ARG A 349 5.610 22.713 -36.612 1.00 94.25 N +ATOM 2812 CZ ARG A 349 5.634 22.131 -37.778 1.00 94.25 C +ATOM 2813 N ALA A 350 4.295 22.389 -45.667 1.00 95.44 N +ATOM 2814 CA ALA A 350 4.436 21.847 -47.016 1.00 95.44 C +ATOM 2815 C ALA A 350 4.351 22.946 -48.087 1.00 95.44 C +ATOM 2816 CB ALA A 350 3.378 20.758 -47.228 1.00 95.44 C +ATOM 2817 O ALA A 350 5.199 22.991 -48.969 1.00 95.44 O +ATOM 2818 N ARG A 351 3.396 23.882 -47.972 1.00 96.62 N +ATOM 2819 CA ARG A 351 3.295 25.049 -48.871 1.00 96.62 C +ATOM 2820 C ARG A 351 4.536 25.937 -48.797 1.00 96.62 C +ATOM 2821 CB ARG A 351 2.050 25.889 -48.545 1.00 96.62 C +ATOM 2822 O ARG A 351 5.037 26.371 -49.824 1.00 96.62 O +ATOM 2823 CG ARG A 351 0.735 25.215 -48.959 1.00 96.62 C +ATOM 2824 CD ARG A 351 -0.455 26.133 -48.635 1.00 96.62 C +ATOM 2825 NE ARG A 351 -1.744 25.421 -48.789 1.00 96.62 N +ATOM 2826 NH1 ARG A 351 -2.523 25.598 -46.620 1.00 96.62 N +ATOM 2827 NH2 ARG A 351 -3.563 24.256 -48.027 1.00 96.62 N +ATOM 2828 CZ ARG A 351 -2.601 25.112 -47.825 1.00 96.62 C +ATOM 2829 N MET A 352 5.039 26.202 -47.593 1.00 93.94 N +ATOM 2830 CA MET A 352 6.261 26.986 -47.407 1.00 93.94 C +ATOM 2831 C MET A 352 7.477 26.280 -48.020 1.00 93.94 C +ATOM 2832 CB MET A 352 6.461 27.234 -45.910 1.00 93.94 C +ATOM 2833 O MET A 352 8.282 26.932 -48.674 1.00 93.94 O +ATOM 2834 CG MET A 352 7.676 28.117 -45.607 1.00 93.94 C +ATOM 2835 SD MET A 352 7.987 28.341 -43.832 1.00 93.94 S +ATOM 2836 CE MET A 352 8.488 26.654 -43.390 1.00 93.94 C +ATOM 2837 N GLN A 353 7.595 24.961 -47.844 1.00 95.94 N +ATOM 2838 CA GLN A 353 8.661 24.178 -48.467 1.00 95.94 C +ATOM 2839 C GLN A 353 8.564 24.226 -49.993 1.00 95.94 C +ATOM 2840 CB GLN A 353 8.623 22.733 -47.946 1.00 95.94 C +ATOM 2841 O GLN A 353 9.558 24.516 -50.643 1.00 95.94 O +ATOM 2842 CG GLN A 353 9.816 21.910 -48.460 1.00 95.94 C +ATOM 2843 CD GLN A 353 11.155 22.498 -48.027 1.00 95.94 C +ATOM 2844 NE2 GLN A 353 12.099 22.665 -48.926 1.00 95.94 N +ATOM 2845 OE1 GLN A 353 11.357 22.827 -46.862 1.00 95.94 O +ATOM 2846 N GLN A 354 7.362 24.051 -50.549 1.00 96.75 N +ATOM 2847 CA GLN A 354 7.128 24.176 -51.985 1.00 96.75 C +ATOM 2848 C GLN A 354 7.577 25.547 -52.514 1.00 96.75 C +ATOM 2849 CB GLN A 354 5.639 23.925 -52.268 1.00 96.75 C +ATOM 2850 O GLN A 354 8.252 25.610 -53.533 1.00 96.75 O +ATOM 2851 CG GLN A 354 5.351 23.945 -53.772 1.00 96.75 C +ATOM 2852 CD GLN A 354 3.871 23.867 -54.119 1.00 96.75 C +ATOM 2853 NE2 GLN A 354 3.544 24.161 -55.354 1.00 96.75 N +ATOM 2854 OE1 GLN A 354 2.995 23.576 -53.310 1.00 96.75 O +ATOM 2855 N GLN A 355 7.269 26.644 -51.811 1.00 95.88 N +ATOM 2856 CA GLN A 355 7.744 27.973 -52.211 1.00 95.88 C +ATOM 2857 C GLN A 355 9.272 28.080 -52.188 1.00 95.88 C +ATOM 2858 CB GLN A 355 7.156 29.059 -51.300 1.00 95.88 C +ATOM 2859 O GLN A 355 9.846 28.703 -53.074 1.00 95.88 O +ATOM 2860 CG GLN A 355 5.671 29.296 -51.578 1.00 95.88 C +ATOM 2861 CD GLN A 355 5.136 30.505 -50.820 1.00 95.88 C +ATOM 2862 NE2 GLN A 355 4.360 31.343 -51.471 1.00 95.88 N +ATOM 2863 OE1 GLN A 355 5.387 30.733 -49.645 1.00 95.88 O +ATOM 2864 N LEU A 356 9.939 27.504 -51.183 1.00 94.94 N +ATOM 2865 CA LEU A 356 11.403 27.491 -51.122 1.00 94.94 C +ATOM 2866 C LEU A 356 12.008 26.717 -52.297 1.00 94.94 C +ATOM 2867 CB LEU A 356 11.879 26.894 -49.786 1.00 94.94 C +ATOM 2868 O LEU A 356 12.982 27.189 -52.881 1.00 94.94 O +ATOM 2869 CG LEU A 356 11.599 27.769 -48.554 1.00 94.94 C +ATOM 2870 CD1 LEU A 356 11.949 26.990 -47.284 1.00 94.94 C +ATOM 2871 CD2 LEU A 356 12.421 29.061 -48.563 1.00 94.94 C +ATOM 2872 N ASP A 357 11.409 25.585 -52.661 1.00 96.31 N +ATOM 2873 CA ASP A 357 11.837 24.774 -53.801 1.00 96.31 C +ATOM 2874 C ASP A 357 11.632 25.549 -55.121 1.00 96.31 C +ATOM 2875 CB ASP A 357 11.101 23.418 -53.790 1.00 96.31 C +ATOM 2876 O ASP A 357 12.567 25.681 -55.906 1.00 96.31 O +ATOM 2877 CG ASP A 357 11.332 22.554 -52.531 1.00 96.31 C +ATOM 2878 OD1 ASP A 357 12.333 22.750 -51.798 1.00 96.31 O +ATOM 2879 OD2 ASP A 357 10.486 21.670 -52.261 1.00 96.31 O +ATOM 2880 N GLU A 358 10.468 26.184 -55.312 1.00 96.31 N +ATOM 2881 CA GLU A 358 10.183 27.061 -56.463 1.00 96.31 C +ATOM 2882 C GLU A 358 11.163 28.252 -56.551 1.00 96.31 C +ATOM 2883 CB GLU A 358 8.738 27.599 -56.368 1.00 96.31 C +ATOM 2884 O GLU A 358 11.612 28.621 -57.638 1.00 96.31 O +ATOM 2885 CG GLU A 358 7.643 26.558 -56.677 1.00 96.31 C +ATOM 2886 CD GLU A 358 6.207 27.050 -56.382 1.00 96.31 C +ATOM 2887 OE1 GLU A 358 5.274 26.204 -56.420 1.00 96.31 O +ATOM 2888 OE2 GLU A 358 6.010 28.261 -56.111 1.00 96.31 O +ATOM 2889 N TYR A 359 11.534 28.863 -55.418 1.00 93.62 N +ATOM 2890 CA TYR A 359 12.541 29.932 -55.384 1.00 93.62 C +ATOM 2891 C TYR A 359 13.937 29.431 -55.743 1.00 93.62 C +ATOM 2892 CB TYR A 359 12.594 30.608 -54.005 1.00 93.62 C +ATOM 2893 O TYR A 359 14.682 30.156 -56.405 1.00 93.62 O +ATOM 2894 CG TYR A 359 11.619 31.753 -53.834 1.00 93.62 C +ATOM 2895 CD1 TYR A 359 11.752 32.906 -54.631 1.00 93.62 C +ATOM 2896 CD2 TYR A 359 10.596 31.682 -52.872 1.00 93.62 C +ATOM 2897 CE1 TYR A 359 10.837 33.967 -54.496 1.00 93.62 C +ATOM 2898 CE2 TYR A 359 9.669 32.730 -52.741 1.00 93.62 C +ATOM 2899 OH TYR A 359 8.892 34.887 -53.436 1.00 93.62 O +ATOM 2900 CZ TYR A 359 9.785 33.871 -53.557 1.00 93.62 C +ATOM 2901 N GLN A 360 14.297 28.225 -55.306 1.00 93.69 N +ATOM 2902 CA GLN A 360 15.571 27.611 -55.651 1.00 93.69 C +ATOM 2903 C GLN A 360 15.634 27.305 -57.153 1.00 93.69 C +ATOM 2904 CB GLN A 360 15.781 26.364 -54.779 1.00 93.69 C +ATOM 2905 O GLN A 360 16.602 27.691 -57.802 1.00 93.69 O +ATOM 2906 CG GLN A 360 17.158 25.725 -54.998 1.00 93.69 C +ATOM 2907 CD GLN A 360 18.318 26.662 -54.675 1.00 93.69 C +ATOM 2908 NE2 GLN A 360 19.387 26.608 -55.437 1.00 93.69 N +ATOM 2909 OE1 GLN A 360 18.296 27.456 -53.742 1.00 93.69 O +ATOM 2910 N GLU A 361 14.576 26.728 -57.728 1.00 95.00 N +ATOM 2911 CA GLU A 361 14.468 26.505 -59.176 1.00 95.00 C +ATOM 2912 C GLU A 361 14.567 27.821 -59.962 1.00 95.00 C +ATOM 2913 CB GLU A 361 13.127 25.831 -59.507 1.00 95.00 C +ATOM 2914 O GLU A 361 15.302 27.921 -60.947 1.00 95.00 O +ATOM 2915 CG GLU A 361 13.045 24.363 -59.060 1.00 95.00 C +ATOM 2916 CD GLU A 361 11.681 23.720 -59.372 1.00 95.00 C +ATOM 2917 OE1 GLU A 361 11.464 22.577 -58.907 1.00 95.00 O +ATOM 2918 OE2 GLU A 361 10.881 24.330 -60.122 1.00 95.00 O +ATOM 2919 N LEU A 362 13.873 28.871 -59.509 1.00 96.56 N +ATOM 2920 CA LEU A 362 13.935 30.188 -60.141 1.00 96.56 C +ATOM 2921 C LEU A 362 15.334 30.811 -60.042 1.00 96.56 C +ATOM 2922 CB LEU A 362 12.874 31.096 -59.497 1.00 96.56 C +ATOM 2923 O LEU A 362 15.789 31.458 -60.988 1.00 96.56 O +ATOM 2924 CG LEU A 362 12.762 32.482 -60.155 1.00 96.56 C +ATOM 2925 CD1 LEU A 362 12.275 32.398 -61.604 1.00 96.56 C +ATOM 2926 CD2 LEU A 362 11.781 33.351 -59.366 1.00 96.56 C +ATOM 2927 N LEU A 363 16.017 30.633 -58.909 1.00 93.50 N +ATOM 2928 CA LEU A 363 17.393 31.081 -58.721 1.00 93.50 C +ATOM 2929 C LEU A 363 18.340 30.352 -59.679 1.00 93.50 C +ATOM 2930 CB LEU A 363 17.794 30.875 -57.250 1.00 93.50 C +ATOM 2931 O LEU A 363 19.169 31.005 -60.312 1.00 93.50 O +ATOM 2932 CG LEU A 363 19.232 31.312 -56.922 1.00 93.50 C +ATOM 2933 CD1 LEU A 363 19.439 32.817 -57.131 1.00 93.50 C +ATOM 2934 CD2 LEU A 363 19.545 30.984 -55.463 1.00 93.50 C +ATOM 2935 N ASP A 364 18.182 29.039 -59.835 1.00 94.75 N +ATOM 2936 CA ASP A 364 18.981 28.226 -60.751 1.00 94.75 C +ATOM 2937 C ASP A 364 18.762 28.660 -62.213 1.00 94.75 C +ATOM 2938 CB ASP A 364 18.659 26.735 -60.542 1.00 94.75 C +ATOM 2939 O ASP A 364 19.731 28.886 -62.944 1.00 94.75 O +ATOM 2940 CG ASP A 364 19.108 26.174 -59.181 1.00 94.75 C +ATOM 2941 OD1 ASP A 364 19.978 26.790 -58.519 1.00 94.75 O +ATOM 2942 OD2 ASP A 364 18.628 25.081 -58.815 1.00 94.75 O +ATOM 2943 N ILE A 365 17.506 28.895 -62.623 1.00 95.94 N +ATOM 2944 CA ILE A 365 17.174 29.471 -63.940 1.00 95.94 C +ATOM 2945 C ILE A 365 17.820 30.851 -64.102 1.00 95.94 C +ATOM 2946 CB ILE A 365 15.641 29.552 -64.146 1.00 95.94 C +ATOM 2947 O ILE A 365 18.375 31.156 -65.156 1.00 95.94 O +ATOM 2948 CG1 ILE A 365 15.027 28.138 -64.250 1.00 95.94 C +ATOM 2949 CG2 ILE A 365 15.285 30.359 -65.415 1.00 95.94 C +ATOM 2950 CD1 ILE A 365 13.497 28.120 -64.121 1.00 95.94 C +ATOM 2951 N LYS A 366 17.781 31.702 -63.070 1.00 96.06 N +ATOM 2952 CA LYS A 366 18.376 33.043 -63.124 1.00 96.06 C +ATOM 2953 C LYS A 366 19.889 32.977 -63.301 1.00 96.06 C +ATOM 2954 CB LYS A 366 17.960 33.843 -61.880 1.00 96.06 C +ATOM 2955 O LYS A 366 20.431 33.750 -64.087 1.00 96.06 O +ATOM 2956 CG LYS A 366 18.338 35.326 -61.980 1.00 96.06 C +ATOM 2957 CD LYS A 366 19.722 35.665 -61.413 1.00 96.06 C +ATOM 2958 CE LYS A 366 20.021 37.119 -61.776 1.00 96.06 C +ATOM 2959 NZ LYS A 366 21.302 37.563 -61.198 1.00 96.06 N +ATOM 2960 N LEU A 367 20.564 32.076 -62.592 1.00 93.44 N +ATOM 2961 CA LEU A 367 22.003 31.862 -62.739 1.00 93.44 C +ATOM 2962 C LEU A 367 22.348 31.364 -64.149 1.00 93.44 C +ATOM 2963 CB LEU A 367 22.486 30.872 -61.665 1.00 93.44 C +ATOM 2964 O LEU A 367 23.297 31.868 -64.750 1.00 93.44 O +ATOM 2965 CG LEU A 367 22.504 31.437 -60.233 1.00 93.44 C +ATOM 2966 CD1 LEU A 367 22.810 30.314 -59.242 1.00 93.44 C +ATOM 2967 CD2 LEU A 367 23.565 32.529 -60.056 1.00 93.44 C +ATOM 2968 N ALA A 368 21.554 30.446 -64.708 1.00 94.38 N +ATOM 2969 CA ALA A 368 21.711 30.001 -66.092 1.00 94.38 C +ATOM 2970 C ALA A 368 21.527 31.161 -67.089 1.00 94.38 C +ATOM 2971 CB ALA A 368 20.732 28.851 -66.354 1.00 94.38 C +ATOM 2972 O ALA A 368 22.385 31.386 -67.942 1.00 94.38 O +ATOM 2973 N LEU A 369 20.473 31.967 -66.924 1.00 92.56 N +ATOM 2974 CA LEU A 369 20.223 33.148 -67.754 1.00 92.56 C +ATOM 2975 C LEU A 369 21.329 34.201 -67.624 1.00 92.56 C +ATOM 2976 CB LEU A 369 18.871 33.774 -67.378 1.00 92.56 C +ATOM 2977 O LEU A 369 21.706 34.810 -68.619 1.00 92.56 O +ATOM 2978 CG LEU A 369 17.640 32.981 -67.850 1.00 92.56 C +ATOM 2979 CD1 LEU A 369 16.386 33.620 -67.247 1.00 92.56 C +ATOM 2980 CD2 LEU A 369 17.489 32.999 -69.371 1.00 92.56 C +ATOM 2981 N ASP A 370 21.880 34.430 -66.431 1.00 92.00 N +ATOM 2982 CA ASP A 370 23.015 35.343 -66.256 1.00 92.00 C +ATOM 2983 C ASP A 370 24.246 34.862 -67.021 1.00 92.00 C +ATOM 2984 CB ASP A 370 23.447 35.420 -64.797 1.00 92.00 C +ATOM 2985 O ASP A 370 24.961 35.673 -67.615 1.00 92.00 O +ATOM 2986 CG ASP A 370 22.586 36.262 -63.882 1.00 92.00 C +ATOM 2987 OD1 ASP A 370 21.863 37.198 -64.302 1.00 92.00 O +ATOM 2988 OD2 ASP A 370 22.772 36.051 -62.665 1.00 92.00 O +ATOM 2989 N MET A 371 24.504 33.552 -67.002 1.00 87.50 N +ATOM 2990 CA MET A 371 25.593 32.954 -67.766 1.00 87.50 C +ATOM 2991 C MET A 371 25.367 33.128 -69.271 1.00 87.50 C +ATOM 2992 CB MET A 371 25.756 31.472 -67.405 1.00 87.50 C +ATOM 2993 O MET A 371 26.293 33.534 -69.974 1.00 87.50 O +ATOM 2994 CG MET A 371 26.360 31.275 -66.011 1.00 87.50 C +ATOM 2995 SD MET A 371 26.543 29.541 -65.500 1.00 87.50 S +ATOM 2996 CE MET A 371 27.619 28.897 -66.808 1.00 87.50 C +ATOM 2997 N GLU A 372 24.146 32.898 -69.759 1.00 93.50 N +ATOM 2998 CA GLU A 372 23.766 33.126 -71.158 1.00 93.50 C +ATOM 2999 C GLU A 372 23.899 34.604 -71.548 1.00 93.50 C +ATOM 3000 CB GLU A 372 22.327 32.654 -71.401 1.00 93.50 C +ATOM 3001 O GLU A 372 24.539 34.924 -72.547 1.00 93.50 O +ATOM 3002 CG GLU A 372 22.187 31.125 -71.372 1.00 93.50 C +ATOM 3003 CD GLU A 372 20.727 30.662 -71.509 1.00 93.50 C +ATOM 3004 OE1 GLU A 372 20.501 29.444 -71.337 1.00 93.50 O +ATOM 3005 OE2 GLU A 372 19.857 31.512 -71.812 1.00 93.50 O +ATOM 3006 N ILE A 373 23.385 35.529 -70.732 1.00 89.75 N +ATOM 3007 CA ILE A 373 23.523 36.978 -70.939 1.00 89.75 C +ATOM 3008 C ILE A 373 24.997 37.374 -70.969 1.00 89.75 C +ATOM 3009 CB ILE A 373 22.767 37.770 -69.844 1.00 89.75 C +ATOM 3010 O ILE A 373 25.397 38.179 -71.806 1.00 89.75 O +ATOM 3011 CG1 ILE A 373 21.240 37.657 -70.045 1.00 89.75 C +ATOM 3012 CG2 ILE A 373 23.163 39.267 -69.866 1.00 89.75 C +ATOM 3013 CD1 ILE A 373 20.429 37.989 -68.783 1.00 89.75 C +ATOM 3014 N HIS A 374 25.818 36.833 -70.070 1.00 91.38 N +ATOM 3015 CA HIS A 374 27.246 37.121 -70.050 1.00 91.38 C +ATOM 3016 C HIS A 374 27.951 36.596 -71.307 1.00 91.38 C +ATOM 3017 CB HIS A 374 27.860 36.550 -68.769 1.00 91.38 C +ATOM 3018 O HIS A 374 28.818 37.281 -71.851 1.00 91.38 O +ATOM 3019 CG HIS A 374 29.295 36.966 -68.589 1.00 91.38 C +ATOM 3020 CD2 HIS A 374 30.387 36.144 -68.560 1.00 91.38 C +ATOM 3021 ND1 HIS A 374 29.754 38.255 -68.455 1.00 91.38 N +ATOM 3022 CE1 HIS A 374 31.091 38.213 -68.348 1.00 91.38 C +ATOM 3023 NE2 HIS A 374 31.532 36.942 -68.414 1.00 91.38 N +ATOM 3024 N ALA A 375 27.553 35.424 -71.807 1.00 88.25 N +ATOM 3025 CA ALA A 375 28.036 34.895 -73.077 1.00 88.25 C +ATOM 3026 C ALA A 375 27.607 35.777 -74.265 1.00 88.25 C +ATOM 3027 CB ALA A 375 27.563 33.445 -73.221 1.00 88.25 C +ATOM 3028 O ALA A 375 28.453 36.137 -75.083 1.00 88.25 O +ATOM 3029 N TYR A 376 26.336 36.195 -74.331 1.00 89.38 N +ATOM 3030 CA TYR A 376 25.843 37.113 -75.364 1.00 89.38 C +ATOM 3031 C TYR A 376 26.530 38.478 -75.304 1.00 89.38 C +ATOM 3032 CB TYR A 376 24.321 37.295 -75.257 1.00 89.38 C +ATOM 3033 O TYR A 376 26.889 39.010 -76.350 1.00 89.38 O +ATOM 3034 CG TYR A 376 23.503 36.098 -75.701 1.00 89.38 C +ATOM 3035 CD1 TYR A 376 23.635 35.608 -77.016 1.00 89.38 C +ATOM 3036 CD2 TYR A 376 22.594 35.487 -74.816 1.00 89.38 C +ATOM 3037 CE1 TYR A 376 22.885 34.492 -77.434 1.00 89.38 C +ATOM 3038 CE2 TYR A 376 21.844 34.370 -75.228 1.00 89.38 C +ATOM 3039 OH TYR A 376 21.268 32.792 -76.933 1.00 89.38 O +ATOM 3040 CZ TYR A 376 21.992 33.869 -76.536 1.00 89.38 C +ATOM 3041 N ARG A 377 26.771 39.025 -74.105 1.00 84.00 N +ATOM 3042 CA ARG A 377 27.536 40.268 -73.924 1.00 84.00 C +ATOM 3043 C ARG A 377 28.947 40.130 -74.463 1.00 84.00 C +ATOM 3044 CB ARG A 377 27.591 40.699 -72.456 1.00 84.00 C +ATOM 3045 O ARG A 377 29.333 40.947 -75.277 1.00 84.00 O +ATOM 3046 CG ARG A 377 26.302 41.401 -72.029 1.00 84.00 C +ATOM 3047 CD ARG A 377 26.449 41.852 -70.577 1.00 84.00 C +ATOM 3048 NE ARG A 377 25.197 42.442 -70.077 1.00 84.00 N +ATOM 3049 NH1 ARG A 377 25.752 42.429 -67.855 1.00 84.00 N +ATOM 3050 NH2 ARG A 377 23.720 43.115 -68.484 1.00 84.00 N +ATOM 3051 CZ ARG A 377 24.896 42.661 -68.812 1.00 84.00 C +ATOM 3052 N LYS A 378 29.673 39.067 -74.105 1.00 87.12 N +ATOM 3053 CA LYS A 378 31.022 38.821 -74.641 1.00 87.12 C +ATOM 3054 C LYS A 378 31.042 38.702 -76.165 1.00 87.12 C +ATOM 3055 CB LYS A 378 31.606 37.549 -74.020 1.00 87.12 C +ATOM 3056 O LYS A 378 31.969 39.197 -76.797 1.00 87.12 O +ATOM 3057 CG LYS A 378 32.217 37.837 -72.649 1.00 87.12 C +ATOM 3058 CD LYS A 378 32.766 36.544 -72.042 1.00 87.12 C +ATOM 3059 CE LYS A 378 33.599 36.904 -70.814 1.00 87.12 C +ATOM 3060 NZ LYS A 378 33.870 35.716 -69.976 1.00 87.12 N +ATOM 3061 N LEU A 379 30.043 38.038 -76.751 1.00 87.81 N +ATOM 3062 CA LEU A 379 29.944 37.883 -78.202 1.00 87.81 C +ATOM 3063 C LEU A 379 29.627 39.215 -78.899 1.00 87.81 C +ATOM 3064 CB LEU A 379 28.893 36.803 -78.515 1.00 87.81 C +ATOM 3065 O LEU A 379 30.233 39.518 -79.922 1.00 87.81 O +ATOM 3066 CG LEU A 379 28.843 36.391 -79.999 1.00 87.81 C +ATOM 3067 CD1 LEU A 379 30.118 35.665 -80.438 1.00 87.81 C +ATOM 3068 CD2 LEU A 379 27.660 35.447 -80.225 1.00 87.81 C +ATOM 3069 N LEU A 380 28.711 40.010 -78.337 1.00 81.38 N +ATOM 3070 CA LEU A 380 28.353 41.334 -78.850 1.00 81.38 C +ATOM 3071 C LEU A 380 29.490 42.338 -78.675 1.00 81.38 C +ATOM 3072 CB LEU A 380 27.080 41.847 -78.155 1.00 81.38 C +ATOM 3073 O LEU A 380 29.837 42.996 -79.639 1.00 81.38 O +ATOM 3074 CG LEU A 380 25.785 41.196 -78.669 1.00 81.38 C +ATOM 3075 CD1 LEU A 380 24.635 41.515 -77.712 1.00 81.38 C +ATOM 3076 CD2 LEU A 380 25.401 41.712 -80.060 1.00 81.38 C +ATOM 3077 N GLU A 381 30.107 42.411 -77.497 1.00 80.31 N +ATOM 3078 CA GLU A 381 31.248 43.291 -77.215 1.00 80.31 C +ATOM 3079 C GLU A 381 32.430 42.965 -78.142 1.00 80.31 C +ATOM 3080 CB GLU A 381 31.662 43.145 -75.735 1.00 80.31 C +ATOM 3081 O GLU A 381 33.034 43.872 -78.711 1.00 80.31 O +ATOM 3082 CG GLU A 381 30.667 43.798 -74.750 1.00 80.31 C +ATOM 3083 CD GLU A 381 30.863 43.387 -73.272 1.00 80.31 C +ATOM 3084 OE1 GLU A 381 30.008 43.777 -72.435 1.00 80.31 O +ATOM 3085 OE2 GLU A 381 31.820 42.642 -72.950 1.00 80.31 O +ATOM 3086 N GLY A 382 32.714 41.676 -78.378 1.00 79.81 N +ATOM 3087 CA GLY A 382 33.746 41.256 -79.332 1.00 79.81 C +ATOM 3088 C GLY A 382 33.414 41.610 -80.789 1.00 79.81 C +ATOM 3089 O GLY A 382 34.303 41.975 -81.562 1.00 79.81 O +ATOM 3090 N GLU A 383 32.138 41.541 -81.175 1.00 79.19 N +ATOM 3091 CA GLU A 383 31.686 41.936 -82.514 1.00 79.19 C +ATOM 3092 C GLU A 383 31.635 43.468 -82.678 1.00 79.19 C +ATOM 3093 CB GLU A 383 30.339 41.251 -82.805 1.00 79.19 C +ATOM 3094 O GLU A 383 31.992 43.986 -83.736 1.00 79.19 O +ATOM 3095 CG GLU A 383 29.812 41.427 -84.238 1.00 79.19 C +ATOM 3096 CD GLU A 383 30.617 40.721 -85.348 1.00 79.19 C +ATOM 3097 OE1 GLU A 383 30.155 40.761 -86.514 1.00 79.19 O +ATOM 3098 OE2 GLU A 383 31.726 40.178 -85.126 1.00 79.19 O +ATOM 3099 N GLU A 384 31.279 44.215 -81.632 1.00 74.19 N +ATOM 3100 CA GLU A 384 31.335 45.681 -81.577 1.00 74.19 C +ATOM 3101 C GLU A 384 32.779 46.188 -81.691 1.00 74.19 C +ATOM 3102 CB GLU A 384 30.685 46.198 -80.278 1.00 74.19 C +ATOM 3103 O GLU A 384 33.038 47.124 -82.455 1.00 74.19 O +ATOM 3104 CG GLU A 384 29.147 46.158 -80.320 1.00 74.19 C +ATOM 3105 CD GLU A 384 28.469 46.619 -79.013 1.00 74.19 C +ATOM 3106 OE1 GLU A 384 27.214 46.669 -79.011 1.00 74.19 O +ATOM 3107 OE2 GLU A 384 29.173 46.959 -78.035 1.00 74.19 O +ATOM 3108 N GLU A 385 33.739 45.528 -81.028 1.00 72.38 N +ATOM 3109 CA GLU A 385 35.176 45.791 -81.189 1.00 72.38 C +ATOM 3110 C GLU A 385 35.640 45.541 -82.631 1.00 72.38 C +ATOM 3111 CB GLU A 385 36.009 44.939 -80.206 1.00 72.38 C +ATOM 3112 O GLU A 385 36.357 46.368 -83.208 1.00 72.38 O +ATOM 3113 CG GLU A 385 36.593 45.805 -79.079 1.00 72.38 C +ATOM 3114 CD GLU A 385 37.454 45.032 -78.064 1.00 72.38 C +ATOM 3115 OE1 GLU A 385 38.155 45.721 -77.285 1.00 72.38 O +ATOM 3116 OE2 GLU A 385 37.462 43.780 -78.092 1.00 72.38 O +ATOM 3117 N ARG A 386 35.187 44.441 -83.254 1.00 80.19 N +ATOM 3118 CA ARG A 386 35.499 44.111 -84.655 1.00 80.19 C +ATOM 3119 C ARG A 386 34.894 45.114 -85.639 1.00 80.19 C +ATOM 3120 CB ARG A 386 35.048 42.668 -84.941 1.00 80.19 C +ATOM 3121 O ARG A 386 35.551 45.479 -86.616 1.00 80.19 O +ATOM 3122 CG ARG A 386 35.259 42.279 -86.410 1.00 80.19 C +ATOM 3123 CD ARG A 386 34.988 40.791 -86.647 1.00 80.19 C +ATOM 3124 NE ARG A 386 34.705 40.540 -88.077 1.00 80.19 N +ATOM 3125 NH1 ARG A 386 32.430 40.496 -87.865 1.00 80.19 N +ATOM 3126 NH2 ARG A 386 33.327 40.420 -89.895 1.00 80.19 N +ATOM 3127 CZ ARG A 386 33.493 40.486 -88.604 1.00 80.19 C +ATOM 3128 N LEU A 387 33.665 45.565 -85.396 1.00 73.25 N +ATOM 3129 CA LEU A 387 32.957 46.526 -86.245 1.00 73.25 C +ATOM 3130 C LEU A 387 33.298 47.992 -85.917 1.00 73.25 C +ATOM 3131 CB LEU A 387 31.443 46.238 -86.185 1.00 73.25 C +ATOM 3132 O LEU A 387 32.832 48.889 -86.619 1.00 73.25 O +ATOM 3133 CG LEU A 387 31.014 44.891 -86.801 1.00 73.25 C +ATOM 3134 CD1 LEU A 387 29.531 44.648 -86.524 1.00 73.25 C +ATOM 3135 CD2 LEU A 387 31.215 44.869 -88.322 1.00 73.25 C +ATOM 3136 N ARG A 388 34.122 48.253 -84.887 1.00 59.19 N +ATOM 3137 CA ARG A 388 34.412 49.596 -84.344 1.00 59.19 C +ATOM 3138 C ARG A 388 33.149 50.421 -84.091 1.00 59.19 C +ATOM 3139 CB ARG A 388 35.436 50.350 -85.204 1.00 59.19 C +ATOM 3140 O ARG A 388 33.137 51.641 -84.278 1.00 59.19 O +ATOM 3141 CG ARG A 388 36.812 49.690 -85.169 1.00 59.19 C +ATOM 3142 CD ARG A 388 37.836 50.672 -85.740 1.00 59.19 C +ATOM 3143 NE ARG A 388 39.205 50.174 -85.550 1.00 59.19 N +ATOM 3144 NH1 ARG A 388 40.291 51.944 -86.523 1.00 59.19 N +ATOM 3145 NH2 ARG A 388 41.472 50.247 -85.671 1.00 59.19 N +ATOM 3146 CZ ARG A 388 40.313 50.789 -85.915 1.00 59.19 C +ATOM 3147 N LEU A 389 32.083 49.757 -83.661 1.00 45.16 N +ATOM 3148 CA LEU A 389 30.860 50.431 -83.258 1.00 45.16 C +ATOM 3149 C LEU A 389 31.055 50.879 -81.812 1.00 45.16 C +ATOM 3150 CB LEU A 389 29.649 49.514 -83.498 1.00 45.16 C +ATOM 3151 O LEU A 389 30.908 50.103 -80.878 1.00 45.16 O +ATOM 3152 CG LEU A 389 29.404 49.205 -84.990 1.00 45.16 C +ATOM 3153 CD1 LEU A 389 28.262 48.201 -85.135 1.00 45.16 C +ATOM 3154 CD2 LEU A 389 29.052 50.448 -85.815 1.00 45.16 C +ATOM 3155 N SER A 390 31.473 52.137 -81.640 1.00 44.66 N +ATOM 3156 CA SER A 390 31.625 52.732 -80.311 1.00 44.66 C +ATOM 3157 C SER A 390 30.257 52.767 -79.604 1.00 44.66 C +ATOM 3158 CB SER A 390 32.223 54.133 -80.401 1.00 44.66 C +ATOM 3159 O SER A 390 29.294 53.258 -80.211 1.00 44.66 O +ATOM 3160 OG SER A 390 32.526 54.613 -79.106 1.00 44.66 O +ATOM 3161 N PRO A 391 30.136 52.266 -78.358 1.00 49.38 N +ATOM 3162 CA PRO A 391 28.846 52.012 -77.726 1.00 49.38 C +ATOM 3163 C PRO A 391 28.098 53.321 -77.460 1.00 49.38 C +ATOM 3164 CB PRO A 391 29.135 51.242 -76.427 1.00 49.38 C +ATOM 3165 O PRO A 391 28.602 54.217 -76.778 1.00 49.38 O +ATOM 3166 CG PRO A 391 30.590 50.800 -76.549 1.00 49.38 C +ATOM 3167 CD PRO A 391 31.211 51.828 -77.481 1.00 49.38 C +ATOM 3168 N SER A 392 26.874 53.443 -77.983 1.00 34.56 N +ATOM 3169 CA SER A 392 26.007 54.585 -77.672 1.00 34.56 C +ATOM 3170 C SER A 392 25.623 54.581 -76.185 1.00 34.56 C +ATOM 3171 CB SER A 392 24.748 54.610 -78.541 1.00 34.56 C +ATOM 3172 O SER A 392 25.193 53.550 -75.660 1.00 34.56 O +ATOM 3173 OG SER A 392 24.991 55.379 -79.700 1.00 34.56 O +ATOM 3174 N PRO A 393 25.745 55.725 -75.487 1.00 41.84 N +ATOM 3175 CA PRO A 393 25.554 55.804 -74.047 1.00 41.84 C +ATOM 3176 C PRO A 393 24.081 55.577 -73.702 1.00 41.84 C +ATOM 3177 CB PRO A 393 26.069 57.190 -73.642 1.00 41.84 C +ATOM 3178 O PRO A 393 23.208 56.384 -74.029 1.00 41.84 O +ATOM 3179 CG PRO A 393 25.877 58.029 -74.905 1.00 41.84 C +ATOM 3180 CD PRO A 393 26.101 57.025 -76.029 1.00 41.84 C +ATOM 3181 N THR A 394 23.802 54.463 -73.023 1.00 34.94 N +ATOM 3182 CA THR A 394 22.457 54.157 -72.532 1.00 34.94 C +ATOM 3183 C THR A 394 22.101 55.131 -71.415 1.00 34.94 C +ATOM 3184 CB THR A 394 22.305 52.691 -72.122 1.00 34.94 C +ATOM 3185 O THR A 394 22.570 55.053 -70.281 1.00 34.94 O +ATOM 3186 CG2 THR A 394 20.917 52.380 -71.556 1.00 34.94 C +ATOM 3187 OG1 THR A 394 22.429 51.899 -73.280 1.00 34.94 O +ATOM 3188 N SER A 395 21.269 56.087 -71.807 1.00 29.83 N +ATOM 3189 CA SER A 395 20.658 57.114 -70.987 1.00 29.83 C +ATOM 3190 C SER A 395 19.595 56.522 -70.054 1.00 29.83 C +ATOM 3191 CB SER A 395 20.045 58.148 -71.939 1.00 29.83 C +ATOM 3192 O SER A 395 18.754 55.733 -70.477 1.00 29.83 O +ATOM 3193 OG SER A 395 19.895 59.395 -71.298 1.00 29.83 O +ATOM 3194 N GLN A 396 19.644 56.956 -68.791 1.00 30.09 N +ATOM 3195 CA GLN A 396 18.534 57.147 -67.848 1.00 30.09 C +ATOM 3196 C GLN A 396 17.417 56.083 -67.769 1.00 30.09 C +ATOM 3197 CB GLN A 396 17.880 58.510 -68.150 1.00 30.09 C +ATOM 3198 O GLN A 396 16.555 56.003 -68.643 1.00 30.09 O +ATOM 3199 CG GLN A 396 18.804 59.720 -67.946 1.00 30.09 C +ATOM 3200 CD GLN A 396 18.081 61.041 -68.203 1.00 30.09 C +ATOM 3201 NE2 GLN A 396 18.489 62.115 -67.565 1.00 30.09 N +ATOM 3202 OE1 GLN A 396 17.126 61.140 -68.953 1.00 30.09 O +ATOM 3203 N ARG A 397 17.232 55.489 -66.575 1.00 31.38 N +ATOM 3204 CA ARG A 397 15.919 55.591 -65.902 1.00 31.38 C +ATOM 3205 C ARG A 397 15.972 55.313 -64.397 1.00 31.38 C +ATOM 3206 CB ARG A 397 14.830 54.708 -66.566 1.00 31.38 C +ATOM 3207 O ARG A 397 16.019 54.168 -63.959 1.00 31.38 O +ATOM 3208 CG ARG A 397 13.437 55.365 -66.455 1.00 31.38 C +ATOM 3209 CD ARG A 397 12.672 55.363 -67.787 1.00 31.38 C +ATOM 3210 NE ARG A 397 12.219 54.011 -68.174 1.00 31.38 N +ATOM 3211 NH1 ARG A 397 13.508 53.735 -70.066 1.00 31.38 N +ATOM 3212 NH2 ARG A 397 12.031 52.168 -69.499 1.00 31.38 N +ATOM 3213 CZ ARG A 397 12.590 53.319 -69.240 1.00 31.38 C +ATOM 3214 N SER A 398 15.838 56.381 -63.616 1.00 30.41 N +ATOM 3215 CA SER A 398 15.308 56.332 -62.253 1.00 30.41 C +ATOM 3216 C SER A 398 13.917 55.686 -62.247 1.00 30.41 C +ATOM 3217 CB SER A 398 15.166 57.755 -61.692 1.00 30.41 C +ATOM 3218 O SER A 398 12.998 56.172 -62.903 1.00 30.41 O +ATOM 3219 OG SER A 398 16.432 58.324 -61.449 1.00 30.41 O +ATOM 3220 N ARG A 399 13.743 54.626 -61.459 1.00 32.88 N +ATOM 3221 CA ARG A 399 12.460 54.191 -60.883 1.00 32.88 C +ATOM 3222 C ARG A 399 12.715 54.145 -59.371 1.00 32.88 C +ATOM 3223 CB ARG A 399 12.061 52.810 -61.442 1.00 32.88 C +ATOM 3224 O ARG A 399 13.557 53.381 -58.936 1.00 32.88 O +ATOM 3225 CG ARG A 399 11.429 52.869 -62.844 1.00 32.88 C +ATOM 3226 CD ARG A 399 11.128 51.449 -63.355 1.00 32.88 C +ATOM 3227 NE ARG A 399 10.131 51.441 -64.449 1.00 32.88 N +ATOM 3228 NH1 ARG A 399 10.789 49.491 -65.482 1.00 32.88 N +ATOM 3229 NH2 ARG A 399 8.951 50.539 -66.182 1.00 32.88 N +ATOM 3230 CZ ARG A 399 9.964 50.494 -65.361 1.00 32.88 C +ATOM 3231 N GLY A 400 12.171 55.006 -58.518 1.00 26.39 N +ATOM 3232 CA GLY A 400 10.869 55.657 -58.584 1.00 26.39 C +ATOM 3233 C GLY A 400 9.822 54.817 -57.850 1.00 26.39 C +ATOM 3234 O GLY A 400 9.030 54.153 -58.497 1.00 26.39 O +ATOM 3235 N ARG A 401 9.885 54.852 -56.510 1.00 28.23 N +ATOM 3236 CA ARG A 401 8.775 55.022 -55.548 1.00 28.23 C +ATOM 3237 C ARG A 401 7.446 54.267 -55.774 1.00 28.23 C +ATOM 3238 CB ARG A 401 8.524 56.542 -55.477 1.00 28.23 C +ATOM 3239 O ARG A 401 6.687 54.624 -56.662 1.00 28.23 O +ATOM 3240 CG ARG A 401 7.611 57.003 -54.333 1.00 28.23 C +ATOM 3241 CD ARG A 401 7.565 58.537 -54.333 1.00 28.23 C +ATOM 3242 NE ARG A 401 6.857 59.070 -53.155 1.00 28.23 N +ATOM 3243 NH1 ARG A 401 7.455 61.276 -53.422 1.00 28.23 N +ATOM 3244 NH2 ARG A 401 6.210 60.675 -51.673 1.00 28.23 N +ATOM 3245 CZ ARG A 401 6.845 60.332 -52.758 1.00 28.23 C +ATOM 3246 N ALA A 402 7.099 53.411 -54.807 1.00 31.08 N +ATOM 3247 CA ALA A 402 5.763 53.214 -54.202 1.00 31.08 C +ATOM 3248 C ALA A 402 5.983 52.280 -52.987 1.00 31.08 C +ATOM 3249 CB ALA A 402 4.812 52.569 -55.224 1.00 31.08 C +ATOM 3250 O ALA A 402 6.472 51.177 -53.174 1.00 31.08 O +ATOM 3251 N SER A 403 5.943 52.672 -51.708 1.00 28.03 N +ATOM 3252 CA SER A 403 4.885 53.269 -50.875 1.00 28.03 C +ATOM 3253 C SER A 403 3.522 52.591 -50.979 1.00 28.03 C +ATOM 3254 CB SER A 403 4.753 54.796 -50.947 1.00 28.03 C +ATOM 3255 O SER A 403 2.987 52.511 -52.081 1.00 28.03 O +ATOM 3256 OG SER A 403 3.913 55.242 -51.992 1.00 28.03 O +ATOM 3257 N SER A 404 2.938 52.331 -49.798 1.00 28.34 N +ATOM 3258 CA SER A 404 1.531 51.987 -49.517 1.00 28.34 C +ATOM 3259 C SER A 404 1.214 50.483 -49.632 1.00 28.34 C +ATOM 3260 CB SER A 404 0.626 52.905 -50.345 1.00 28.34 C +ATOM 3261 O SER A 404 1.729 49.830 -50.524 1.00 28.34 O +ATOM 3262 OG SER A 404 0.388 52.385 -51.634 1.00 28.34 O +ATOM 3263 N HIS A 405 0.468 49.807 -48.756 1.00 30.80 N +ATOM 3264 CA HIS A 405 -0.504 50.165 -47.720 1.00 30.80 C +ATOM 3265 C HIS A 405 -0.473 49.047 -46.648 1.00 30.80 C +ATOM 3266 CB HIS A 405 -1.886 50.197 -48.396 1.00 30.80 C +ATOM 3267 O HIS A 405 -0.385 47.873 -46.982 1.00 30.80 O +ATOM 3268 CG HIS A 405 -2.198 51.471 -49.130 1.00 30.80 C +ATOM 3269 CD2 HIS A 405 -2.407 51.635 -50.475 1.00 30.80 C +ATOM 3270 ND1 HIS A 405 -2.440 52.685 -48.527 1.00 30.80 N +ATOM 3271 CE1 HIS A 405 -2.780 53.564 -49.484 1.00 30.80 C +ATOM 3272 NE2 HIS A 405 -2.766 52.973 -50.685 1.00 30.80 N +ATOM 3273 N SER A 406 -0.375 49.344 -45.350 1.00 32.03 N +ATOM 3274 CA SER A 406 -1.528 49.436 -44.435 1.00 32.03 C +ATOM 3275 C SER A 406 -2.724 48.547 -44.816 1.00 32.03 C +ATOM 3276 CB SER A 406 -1.990 50.885 -44.249 1.00 32.03 C +ATOM 3277 O SER A 406 -3.523 48.918 -45.669 1.00 32.03 O +ATOM 3278 OG SER A 406 -2.931 50.929 -43.195 1.00 32.03 O +ATOM 3279 N SER A 407 -2.900 47.417 -44.130 1.00 32.47 N +ATOM 3280 CA SER A 407 -4.235 46.853 -43.895 1.00 32.47 C +ATOM 3281 C SER A 407 -4.303 46.238 -42.498 1.00 32.47 C +ATOM 3282 CB SER A 407 -4.726 45.918 -45.004 1.00 32.47 C +ATOM 3283 O SER A 407 -3.960 45.095 -42.220 1.00 32.47 O +ATOM 3284 OG SER A 407 -3.827 44.867 -45.256 1.00 32.47 O +ATOM 3285 N GLN A 408 -4.721 47.108 -41.593 1.00 31.23 N +ATOM 3286 CA GLN A 408 -5.297 46.813 -40.299 1.00 31.23 C +ATOM 3287 C GLN A 408 -6.693 46.201 -40.510 1.00 31.23 C +ATOM 3288 CB GLN A 408 -5.355 48.190 -39.616 1.00 31.23 C +ATOM 3289 O GLN A 408 -7.564 46.860 -41.065 1.00 31.23 O +ATOM 3290 CG GLN A 408 -5.876 48.251 -38.180 1.00 31.23 C +ATOM 3291 CD GLN A 408 -5.794 49.681 -37.637 1.00 31.23 C +ATOM 3292 NE2 GLN A 408 -5.895 49.872 -36.341 1.00 31.23 N +ATOM 3293 OE1 GLN A 408 -5.626 50.658 -38.348 1.00 31.23 O +ATOM 3294 N THR A 409 -6.906 44.971 -40.045 1.00 31.05 N +ATOM 3295 CA THR A 409 -8.213 44.365 -39.702 1.00 31.05 C +ATOM 3296 C THR A 409 -7.882 43.410 -38.541 1.00 31.05 C +ATOM 3297 CB THR A 409 -8.861 43.625 -40.902 1.00 31.05 C +ATOM 3298 O THR A 409 -7.004 42.570 -38.685 1.00 31.05 O +ATOM 3299 CG2 THR A 409 -9.170 44.519 -42.105 1.00 31.05 C +ATOM 3300 OG1 THR A 409 -8.047 42.598 -41.412 1.00 31.05 O +ATOM 3301 N GLN A 410 -8.242 43.601 -37.267 1.00 27.61 N +ATOM 3302 CA GLN A 410 -9.532 43.827 -36.607 1.00 27.61 C +ATOM 3303 C GLN A 410 -10.663 42.926 -37.107 1.00 27.61 C +ATOM 3304 CB GLN A 410 -9.973 45.300 -36.491 1.00 27.61 C +ATOM 3305 O GLN A 410 -11.189 43.139 -38.192 1.00 27.61 O +ATOM 3306 CG GLN A 410 -9.223 46.065 -35.383 1.00 27.61 C +ATOM 3307 CD GLN A 410 -9.950 47.324 -34.904 1.00 27.61 C +ATOM 3308 NE2 GLN A 410 -9.404 48.039 -33.944 1.00 27.61 N +ATOM 3309 OE1 GLN A 410 -11.023 47.687 -35.347 1.00 27.61 O +ATOM 3310 N GLY A 411 -11.101 42.007 -36.237 1.00 26.03 N +ATOM 3311 CA GLY A 411 -12.469 41.487 -36.256 1.00 26.03 C +ATOM 3312 C GLY A 411 -12.634 40.052 -35.755 1.00 26.03 C +ATOM 3313 O GLY A 411 -12.140 39.125 -36.379 1.00 26.03 O +ATOM 3314 N GLY A 412 -13.420 39.886 -34.683 1.00 27.38 N +ATOM 3315 CA GLY A 412 -14.052 38.621 -34.277 1.00 27.38 C +ATOM 3316 C GLY A 412 -13.353 37.944 -33.095 1.00 27.38 C +ATOM 3317 O GLY A 412 -12.365 37.254 -33.275 1.00 27.38 O +ATOM 3318 N GLY A 413 -13.756 38.104 -31.834 1.00 27.05 N +ATOM 3319 CA GLY A 413 -15.122 38.244 -31.341 1.00 27.05 C +ATOM 3320 C GLY A 413 -15.755 36.861 -31.177 1.00 27.05 C +ATOM 3321 O GLY A 413 -16.445 36.398 -32.074 1.00 27.05 O +ATOM 3322 N SER A 414 -15.545 36.215 -30.028 1.00 32.34 N +ATOM 3323 CA SER A 414 -16.413 35.129 -29.561 1.00 32.34 C +ATOM 3324 C SER A 414 -16.689 35.328 -28.076 1.00 32.34 C +ATOM 3325 CB SER A 414 -15.857 33.740 -29.869 1.00 32.34 C +ATOM 3326 O SER A 414 -15.907 34.972 -27.199 1.00 32.34 O +ATOM 3327 OG SER A 414 -16.873 32.794 -29.592 1.00 32.34 O +ATOM 3328 N VAL A 415 -17.805 36.008 -27.826 1.00 34.47 N +ATOM 3329 CA VAL A 415 -18.440 36.149 -26.520 1.00 34.47 C +ATOM 3330 C VAL A 415 -19.228 34.865 -26.277 1.00 34.47 C +ATOM 3331 CB VAL A 415 -19.345 37.404 -26.513 1.00 34.47 C +ATOM 3332 O VAL A 415 -20.368 34.734 -26.720 1.00 34.47 O +ATOM 3333 CG1 VAL A 415 -20.190 37.537 -25.238 1.00 34.47 C +ATOM 3334 CG2 VAL A 415 -18.504 38.682 -26.647 1.00 34.47 C +ATOM 3335 N THR A 416 -18.642 33.901 -25.571 1.00 34.03 N +ATOM 3336 CA THR A 416 -19.399 32.767 -25.029 1.00 34.03 C +ATOM 3337 C THR A 416 -20.125 33.217 -23.768 1.00 34.03 C +ATOM 3338 CB THR A 416 -18.532 31.527 -24.796 1.00 34.03 C +ATOM 3339 O THR A 416 -19.584 33.273 -22.667 1.00 34.03 O +ATOM 3340 CG2 THR A 416 -18.166 30.874 -26.128 1.00 34.03 C +ATOM 3341 OG1 THR A 416 -17.347 31.886 -24.132 1.00 34.03 O +ATOM 3342 N LYS A 417 -21.381 33.602 -23.984 1.00 25.36 N +ATOM 3343 CA LYS A 417 -22.425 33.812 -22.981 1.00 25.36 C +ATOM 3344 C LYS A 417 -22.864 32.450 -22.411 1.00 25.36 C +ATOM 3345 CB LYS A 417 -23.591 34.533 -23.704 1.00 25.36 C +ATOM 3346 O LYS A 417 -22.837 31.461 -23.137 1.00 25.36 O +ATOM 3347 CG LYS A 417 -24.234 35.698 -22.936 1.00 25.36 C +ATOM 3348 CD LYS A 417 -25.250 36.422 -23.843 1.00 25.36 C +ATOM 3349 CE LYS A 417 -25.849 37.660 -23.159 1.00 25.36 C +ATOM 3350 NZ LYS A 417 -26.764 38.410 -24.062 1.00 25.36 N +ATOM 3351 N LYS A 418 -23.453 32.488 -21.202 1.00 25.39 N +ATOM 3352 CA LYS A 418 -24.287 31.448 -20.540 1.00 25.39 C +ATOM 3353 C LYS A 418 -23.482 30.335 -19.829 1.00 25.39 C +ATOM 3354 CB LYS A 418 -25.323 30.899 -21.557 1.00 25.39 C +ATOM 3355 O LYS A 418 -22.595 29.753 -20.419 1.00 25.39 O +ATOM 3356 CG LYS A 418 -26.768 31.315 -21.274 1.00 25.39 C +ATOM 3357 CD LYS A 418 -27.697 30.668 -22.315 1.00 25.39 C +ATOM 3358 CE LYS A 418 -29.164 31.007 -22.022 1.00 25.39 C +ATOM 3359 NZ LYS A 418 -30.079 30.522 -23.089 1.00 25.39 N +ATOM 3360 N ARG A 419 -23.742 29.949 -18.574 1.00 29.44 N +ATOM 3361 CA ARG A 419 -24.931 30.055 -17.708 1.00 29.44 C +ATOM 3362 C ARG A 419 -24.491 30.259 -16.249 1.00 29.44 C +ATOM 3363 CB ARG A 419 -25.701 28.716 -17.786 1.00 29.44 C +ATOM 3364 O ARG A 419 -23.713 29.471 -15.726 1.00 29.44 O +ATOM 3365 CG ARG A 419 -26.579 28.566 -19.035 1.00 29.44 C +ATOM 3366 CD ARG A 419 -27.106 27.139 -19.217 1.00 29.44 C +ATOM 3367 NE ARG A 419 -28.263 27.092 -20.142 1.00 29.44 N +ATOM 3368 NH1 ARG A 419 -27.720 25.164 -21.284 1.00 29.44 N +ATOM 3369 NH2 ARG A 419 -29.677 26.150 -21.664 1.00 29.44 N +ATOM 3370 CZ ARG A 419 -28.539 26.143 -21.026 1.00 29.44 C +ATOM 3371 N LYS A 420 -25.029 31.294 -15.601 1.00 28.58 N +ATOM 3372 CA LYS A 420 -25.040 31.454 -14.143 1.00 28.58 C +ATOM 3373 C LYS A 420 -26.074 30.453 -13.617 1.00 28.58 C +ATOM 3374 CB LYS A 420 -25.379 32.930 -13.838 1.00 28.58 C +ATOM 3375 O LYS A 420 -27.253 30.611 -13.913 1.00 28.58 O +ATOM 3376 CG LYS A 420 -25.312 33.328 -12.355 1.00 28.58 C +ATOM 3377 CD LYS A 420 -25.550 34.843 -12.194 1.00 28.58 C +ATOM 3378 CE LYS A 420 -25.499 35.249 -10.715 1.00 28.58 C +ATOM 3379 NZ LYS A 420 -25.853 36.678 -10.506 1.00 28.58 N +ATOM 3380 N LEU A 421 -25.612 29.376 -12.983 1.00 35.09 N +ATOM 3381 CA LEU A 421 -26.464 28.393 -12.319 1.00 35.09 C +ATOM 3382 C LEU A 421 -27.060 29.067 -11.083 1.00 35.09 C +ATOM 3383 CB LEU A 421 -25.633 27.140 -11.984 1.00 35.09 C +ATOM 3384 O LEU A 421 -26.335 29.487 -10.184 1.00 35.09 O +ATOM 3385 CG LEU A 421 -26.386 26.026 -11.227 1.00 35.09 C +ATOM 3386 CD1 LEU A 421 -27.534 25.433 -12.045 1.00 35.09 C +ATOM 3387 CD2 LEU A 421 -25.407 24.896 -10.899 1.00 35.09 C +ATOM 3388 N GLU A 422 -28.372 29.227 -11.120 1.00 31.06 N +ATOM 3389 CA GLU A 422 -29.205 29.750 -10.051 1.00 31.06 C +ATOM 3390 C GLU A 422 -29.143 28.764 -8.883 1.00 31.06 C +ATOM 3391 CB GLU A 422 -30.606 29.948 -10.651 1.00 31.06 C +ATOM 3392 O GLU A 422 -29.535 27.603 -8.993 1.00 31.06 O +ATOM 3393 CG GLU A 422 -31.443 31.048 -9.977 1.00 31.06 C +ATOM 3394 CD GLU A 422 -32.366 31.805 -10.958 1.00 31.06 C +ATOM 3395 OE1 GLU A 422 -33.049 32.734 -10.481 1.00 31.06 O +ATOM 3396 OE2 GLU A 422 -32.285 31.565 -12.188 1.00 31.06 O +ATOM 3397 N SER A 423 -28.502 29.190 -7.802 1.00 36.44 N +ATOM 3398 CA SER A 423 -28.335 28.411 -6.586 1.00 36.44 C +ATOM 3399 C SER A 423 -29.654 28.402 -5.826 1.00 36.44 C +ATOM 3400 CB SER A 423 -27.184 28.996 -5.755 1.00 36.44 C +ATOM 3401 O SER A 423 -29.974 29.369 -5.144 1.00 36.44 O +ATOM 3402 OG SER A 423 -27.182 30.412 -5.809 1.00 36.44 O +ATOM 3403 N THR A 424 -30.401 27.308 -5.966 1.00 39.38 N +ATOM 3404 CA THR A 424 -31.554 26.939 -5.142 1.00 39.38 C +ATOM 3405 C THR A 424 -31.199 27.135 -3.666 1.00 39.38 C +ATOM 3406 CB THR A 424 -31.908 25.463 -5.415 1.00 39.38 C +ATOM 3407 O THR A 424 -30.343 26.424 -3.127 1.00 39.38 O +ATOM 3408 CG2 THR A 424 -33.304 25.077 -4.940 1.00 39.38 C +ATOM 3409 OG1 THR A 424 -31.844 25.187 -6.799 1.00 39.38 O +ATOM 3410 N GLU A 425 -31.795 28.141 -3.024 1.00 39.59 N +ATOM 3411 CA GLU A 425 -31.551 28.477 -1.621 1.00 39.59 C +ATOM 3412 C GLU A 425 -32.063 27.345 -0.723 1.00 39.59 C +ATOM 3413 CB GLU A 425 -32.187 29.827 -1.244 1.00 39.59 C +ATOM 3414 O GLU A 425 -33.218 27.291 -0.312 1.00 39.59 O +ATOM 3415 CG GLU A 425 -31.405 31.032 -1.792 1.00 39.59 C +ATOM 3416 CD GLU A 425 -31.936 32.378 -1.267 1.00 39.59 C +ATOM 3417 OE1 GLU A 425 -31.140 33.346 -1.273 1.00 39.59 O +ATOM 3418 OE2 GLU A 425 -33.106 32.431 -0.826 1.00 39.59 O +ATOM 3419 N SER A 426 -31.181 26.399 -0.414 1.00 43.44 N +ATOM 3420 CA SER A 426 -31.450 25.358 0.573 1.00 43.44 C +ATOM 3421 C SER A 426 -31.474 26.003 1.960 1.00 43.44 C +ATOM 3422 CB SER A 426 -30.375 24.271 0.489 1.00 43.44 C +ATOM 3423 O SER A 426 -30.422 26.276 2.542 1.00 43.44 O +ATOM 3424 OG SER A 426 -30.308 23.738 -0.820 1.00 43.44 O +ATOM 3425 N ARG A 427 -32.663 26.266 2.511 1.00 50.50 N +ATOM 3426 CA ARG A 427 -32.807 26.736 3.897 1.00 50.50 C +ATOM 3427 C ARG A 427 -32.481 25.584 4.849 1.00 50.50 C +ATOM 3428 CB ARG A 427 -34.209 27.326 4.136 1.00 50.50 C +ATOM 3429 O ARG A 427 -33.302 24.703 5.088 1.00 50.50 O +ATOM 3430 CG ARG A 427 -34.380 28.688 3.441 1.00 50.50 C +ATOM 3431 CD ARG A 427 -35.798 29.257 3.585 1.00 50.50 C +ATOM 3432 NE ARG A 427 -36.105 29.706 4.964 1.00 50.50 N +ATOM 3433 NH1 ARG A 427 -36.851 31.827 4.455 1.00 50.50 N +ATOM 3434 NH2 ARG A 427 -36.898 31.123 6.567 1.00 50.50 N +ATOM 3435 CZ ARG A 427 -36.612 30.878 5.318 1.00 50.50 C +ATOM 3436 N SER A 428 -31.267 25.578 5.395 1.00 64.38 N +ATOM 3437 CA SER A 428 -30.894 24.684 6.493 1.00 64.38 C +ATOM 3438 C SER A 428 -31.333 25.284 7.829 1.00 64.38 C +ATOM 3439 CB SER A 428 -29.390 24.402 6.483 1.00 64.38 C +ATOM 3440 O SER A 428 -30.932 26.401 8.150 1.00 64.38 O +ATOM 3441 OG SER A 428 -28.633 25.574 6.705 1.00 64.38 O +ATOM 3442 N SER A 429 -32.116 24.551 8.617 1.00 75.81 N +ATOM 3443 CA SER A 429 -32.498 24.917 9.986 1.00 75.81 C +ATOM 3444 C SER A 429 -31.793 24.010 10.998 1.00 75.81 C +ATOM 3445 CB SER A 429 -34.024 24.879 10.139 1.00 75.81 C +ATOM 3446 O SER A 429 -31.458 22.865 10.694 1.00 75.81 O +ATOM 3447 OG SER A 429 -34.522 23.572 9.928 1.00 75.81 O +ATOM 3448 N PHE A 430 -31.539 24.505 12.210 1.00 79.88 N +ATOM 3449 CA PHE A 430 -31.012 23.696 13.310 1.00 79.88 C +ATOM 3450 C PHE A 430 -32.087 23.465 14.367 1.00 79.88 C +ATOM 3451 CB PHE A 430 -29.764 24.342 13.921 1.00 79.88 C +ATOM 3452 O PHE A 430 -32.613 24.410 14.953 1.00 79.88 O +ATOM 3453 CG PHE A 430 -28.466 23.902 13.282 1.00 79.88 C +ATOM 3454 CD1 PHE A 430 -27.826 22.734 13.727 1.00 79.88 C +ATOM 3455 CD2 PHE A 430 -27.853 24.695 12.306 1.00 79.88 C +ATOM 3456 CE1 PHE A 430 -26.549 22.384 13.253 1.00 79.88 C +ATOM 3457 CE2 PHE A 430 -26.578 24.354 11.837 1.00 79.88 C +ATOM 3458 CZ PHE A 430 -25.915 23.207 12.307 1.00 79.88 C +ATOM 3459 N SER A 431 -32.360 22.199 14.675 1.00 84.12 N +ATOM 3460 CA SER A 431 -33.089 21.834 15.889 1.00 84.12 C +ATOM 3461 C SER A 431 -32.124 21.824 17.075 1.00 84.12 C +ATOM 3462 CB SER A 431 -33.838 20.510 15.731 1.00 84.12 C +ATOM 3463 O SER A 431 -31.004 21.310 16.991 1.00 84.12 O +ATOM 3464 OG SER A 431 -32.937 19.438 15.573 1.00 84.12 O +ATOM 3465 N GLN A 432 -32.536 22.433 18.185 1.00 87.69 N +ATOM 3466 CA GLN A 432 -31.664 22.691 19.326 1.00 87.69 C +ATOM 3467 C GLN A 432 -32.245 22.087 20.597 1.00 87.69 C +ATOM 3468 CB GLN A 432 -31.459 24.199 19.438 1.00 87.69 C +ATOM 3469 O GLN A 432 -33.415 22.285 20.910 1.00 87.69 O +ATOM 3470 CG GLN A 432 -30.422 24.561 20.499 1.00 87.69 C +ATOM 3471 CD GLN A 432 -30.144 26.048 20.420 1.00 87.69 C +ATOM 3472 NE2 GLN A 432 -28.941 26.474 20.113 1.00 87.69 N +ATOM 3473 OE1 GLN A 432 -30.977 26.884 20.696 1.00 87.69 O +ATOM 3474 N HIS A 433 -31.443 21.323 21.332 1.00 88.56 N +ATOM 3475 CA HIS A 433 -31.845 20.695 22.590 1.00 88.56 C +ATOM 3476 C HIS A 433 -30.828 21.071 23.662 1.00 88.56 C +ATOM 3477 CB HIS A 433 -31.952 19.170 22.427 1.00 88.56 C +ATOM 3478 O HIS A 433 -29.631 20.849 23.483 1.00 88.56 O +ATOM 3479 CG HIS A 433 -32.955 18.690 21.402 1.00 88.56 C +ATOM 3480 CD2 HIS A 433 -33.307 17.388 21.179 1.00 88.56 C +ATOM 3481 ND1 HIS A 433 -33.662 19.446 20.492 1.00 88.56 N +ATOM 3482 CE1 HIS A 433 -34.381 18.623 19.716 1.00 88.56 C +ATOM 3483 NE2 HIS A 433 -34.197 17.355 20.106 1.00 88.56 N +ATOM 3484 N ALA A 434 -31.284 21.649 24.771 1.00 91.75 N +ATOM 3485 CA ALA A 434 -30.418 22.090 25.858 1.00 91.75 C +ATOM 3486 C ALA A 434 -30.906 21.536 27.197 1.00 91.75 C +ATOM 3487 CB ALA A 434 -30.340 23.621 25.861 1.00 91.75 C +ATOM 3488 O ALA A 434 -32.103 21.497 27.462 1.00 91.75 O +ATOM 3489 N ARG A 435 -29.969 21.137 28.055 1.00 91.50 N +ATOM 3490 CA ARG A 435 -30.230 20.707 29.433 1.00 91.50 C +ATOM 3491 C ARG A 435 -29.154 21.248 30.364 1.00 91.50 C +ATOM 3492 CB ARG A 435 -30.392 19.178 29.505 1.00 91.50 C +ATOM 3493 O ARG A 435 -27.999 21.401 29.968 1.00 91.50 O +ATOM 3494 CG ARG A 435 -29.178 18.385 28.992 1.00 91.50 C +ATOM 3495 CD ARG A 435 -29.460 16.880 29.074 1.00 91.50 C +ATOM 3496 NE ARG A 435 -28.280 16.073 28.706 1.00 91.50 N +ATOM 3497 NH1 ARG A 435 -29.317 14.022 28.619 1.00 91.50 N +ATOM 3498 NH2 ARG A 435 -27.122 14.191 28.236 1.00 91.50 N +ATOM 3499 CZ ARG A 435 -28.254 14.769 28.513 1.00 91.50 C +ATOM 3500 N THR A 436 -29.523 21.585 31.592 1.00 91.56 N +ATOM 3501 CA THR A 436 -28.608 22.143 32.596 1.00 91.56 C +ATOM 3502 C THR A 436 -29.027 21.635 33.969 1.00 91.56 C +ATOM 3503 CB THR A 436 -28.607 23.680 32.545 1.00 91.56 C +ATOM 3504 O THR A 436 -30.163 21.841 34.374 1.00 91.56 O +ATOM 3505 CG2 THR A 436 -27.623 24.275 33.545 1.00 91.56 C +ATOM 3506 OG1 THR A 436 -28.224 24.114 31.253 1.00 91.56 O +ATOM 3507 N SER A 437 -28.113 20.952 34.651 1.00 86.56 N +ATOM 3508 CA SER A 437 -28.285 20.378 35.988 1.00 86.56 C +ATOM 3509 C SER A 437 -27.619 21.222 37.085 1.00 86.56 C +ATOM 3510 CB SER A 437 -27.715 18.954 35.993 1.00 86.56 C +ATOM 3511 O SER A 437 -27.701 20.869 38.257 1.00 86.56 O +ATOM 3512 OG SER A 437 -28.070 18.287 37.181 1.00 86.56 O +ATOM 3513 N GLY A 438 -26.934 22.315 36.727 1.00 86.56 N +ATOM 3514 CA GLY A 438 -26.191 23.163 37.661 1.00 86.56 C +ATOM 3515 C GLY A 438 -26.367 24.661 37.407 1.00 86.56 C +ATOM 3516 O GLY A 438 -27.263 25.097 36.690 1.00 86.56 O +ATOM 3517 N ARG A 439 -25.478 25.470 37.992 1.00 92.12 N +ATOM 3518 CA ARG A 439 -25.537 26.944 37.920 1.00 92.12 C +ATOM 3519 C ARG A 439 -25.204 27.503 36.535 1.00 92.12 C +ATOM 3520 CB ARG A 439 -24.588 27.543 38.971 1.00 92.12 C +ATOM 3521 O ARG A 439 -25.647 28.593 36.184 1.00 92.12 O +ATOM 3522 CG ARG A 439 -24.938 27.092 40.397 1.00 92.12 C +ATOM 3523 CD ARG A 439 -24.080 27.811 41.439 1.00 92.12 C +ATOM 3524 NE ARG A 439 -24.236 27.193 42.767 1.00 92.12 N +ATOM 3525 NH1 ARG A 439 -23.102 28.804 43.951 1.00 92.12 N +ATOM 3526 NH2 ARG A 439 -24.361 27.365 45.035 1.00 92.12 N +ATOM 3527 CZ ARG A 439 -23.884 27.771 43.898 1.00 92.12 C +ATOM 3528 N VAL A 440 -24.419 26.766 35.749 1.00 95.38 N +ATOM 3529 CA VAL A 440 -23.861 27.232 34.473 1.00 95.38 C +ATOM 3530 C VAL A 440 -24.463 26.448 33.318 1.00 95.38 C +ATOM 3531 CB VAL A 440 -22.324 27.164 34.475 1.00 95.38 C +ATOM 3532 O VAL A 440 -24.391 25.222 33.291 1.00 95.38 O +ATOM 3533 CG1 VAL A 440 -21.737 27.708 33.166 1.00 95.38 C +ATOM 3534 CG2 VAL A 440 -21.765 28.007 35.630 1.00 95.38 C +ATOM 3535 N ALA A 441 -25.031 27.166 32.353 1.00 95.88 N +ATOM 3536 CA ALA A 441 -25.620 26.607 31.144 1.00 95.88 C +ATOM 3537 C ALA A 441 -24.731 26.873 29.922 1.00 95.88 C +ATOM 3538 CB ALA A 441 -27.017 27.208 30.955 1.00 95.88 C +ATOM 3539 O ALA A 441 -24.084 27.918 29.829 1.00 95.88 O +ATOM 3540 N VAL A 442 -24.773 25.963 28.945 1.00 95.75 N +ATOM 3541 CA VAL A 442 -24.273 26.230 27.589 1.00 95.75 C +ATOM 3542 C VAL A 442 -25.315 27.091 26.876 1.00 95.75 C +ATOM 3543 CB VAL A 442 -23.971 24.933 26.815 1.00 95.75 C +ATOM 3544 O VAL A 442 -26.374 26.602 26.469 1.00 95.75 O +ATOM 3545 CG1 VAL A 442 -23.341 25.256 25.455 1.00 95.75 C +ATOM 3546 CG2 VAL A 442 -23.015 23.997 27.566 1.00 95.75 C +ATOM 3547 N GLU A 443 -25.045 28.390 26.798 1.00 93.56 N +ATOM 3548 CA GLU A 443 -25.978 29.386 26.280 1.00 93.56 C +ATOM 3549 C GLU A 443 -26.054 29.332 24.758 1.00 93.56 C +ATOM 3550 CB GLU A 443 -25.559 30.779 26.770 1.00 93.56 C +ATOM 3551 O GLU A 443 -27.140 29.177 24.203 1.00 93.56 O +ATOM 3552 CG GLU A 443 -26.582 31.824 26.316 1.00 93.56 C +ATOM 3553 CD GLU A 443 -26.230 33.246 26.735 1.00 93.56 C +ATOM 3554 OE1 GLU A 443 -26.989 34.153 26.355 1.00 93.56 O +ATOM 3555 OE2 GLU A 443 -25.292 33.471 27.528 1.00 93.56 O +ATOM 3556 N GLU A 444 -24.900 29.406 24.101 1.00 93.75 N +ATOM 3557 CA GLU A 444 -24.803 29.526 22.652 1.00 93.75 C +ATOM 3558 C GLU A 444 -23.606 28.729 22.144 1.00 93.75 C +ATOM 3559 CB GLU A 444 -24.708 31.006 22.260 1.00 93.75 C +ATOM 3560 O GLU A 444 -22.576 28.606 22.809 1.00 93.75 O +ATOM 3561 CG GLU A 444 -24.994 31.265 20.774 1.00 93.75 C +ATOM 3562 CD GLU A 444 -24.826 32.755 20.438 1.00 93.75 C +ATOM 3563 OE1 GLU A 444 -24.310 33.070 19.353 1.00 93.75 O +ATOM 3564 OE2 GLU A 444 -25.089 33.607 21.316 1.00 93.75 O +ATOM 3565 N VAL A 445 -23.761 28.152 20.962 1.00 92.44 N +ATOM 3566 CA VAL A 445 -22.730 27.373 20.292 1.00 92.44 C +ATOM 3567 C VAL A 445 -22.746 27.802 18.837 1.00 92.44 C +ATOM 3568 CB VAL A 445 -23.011 25.866 20.436 1.00 92.44 C +ATOM 3569 O VAL A 445 -23.784 27.684 18.193 1.00 92.44 O +ATOM 3570 CG1 VAL A 445 -21.958 25.050 19.703 1.00 92.44 C +ATOM 3571 CG2 VAL A 445 -22.968 25.406 21.900 1.00 92.44 C +ATOM 3572 N ASP A 446 -21.613 28.287 18.343 1.00 91.50 N +ATOM 3573 CA ASP A 446 -21.499 28.742 16.963 1.00 91.50 C +ATOM 3574 C ASP A 446 -21.526 27.556 15.984 1.00 91.50 C +ATOM 3575 CB ASP A 446 -20.227 29.574 16.825 1.00 91.50 C +ATOM 3576 O ASP A 446 -20.848 26.533 16.187 1.00 91.50 O +ATOM 3577 CG ASP A 446 -20.111 30.183 15.434 1.00 91.50 C +ATOM 3578 OD1 ASP A 446 -20.870 31.116 15.124 1.00 91.50 O +ATOM 3579 OD2 ASP A 446 -19.239 29.683 14.693 1.00 91.50 O +ATOM 3580 N GLU A 447 -22.319 27.706 14.925 1.00 86.31 N +ATOM 3581 CA GLU A 447 -22.545 26.683 13.897 1.00 86.31 C +ATOM 3582 C GLU A 447 -21.323 26.492 12.989 1.00 86.31 C +ATOM 3583 CB GLU A 447 -23.755 27.072 13.037 1.00 86.31 C +ATOM 3584 O GLU A 447 -21.065 25.384 12.514 1.00 86.31 O +ATOM 3585 CG GLU A 447 -25.058 27.214 13.841 1.00 86.31 C +ATOM 3586 CD GLU A 447 -26.275 27.516 12.952 1.00 86.31 C +ATOM 3587 OE1 GLU A 447 -27.370 27.681 13.533 1.00 86.31 O +ATOM 3588 OE2 GLU A 447 -26.124 27.483 11.706 1.00 86.31 O +ATOM 3589 N GLU A 448 -20.537 27.552 12.792 1.00 86.25 N +ATOM 3590 CA GLU A 448 -19.290 27.544 12.020 1.00 86.25 C +ATOM 3591 C GLU A 448 -18.080 27.116 12.872 1.00 86.25 C +ATOM 3592 CB GLU A 448 -19.067 28.922 11.376 1.00 86.25 C +ATOM 3593 O GLU A 448 -16.965 26.971 12.368 1.00 86.25 O +ATOM 3594 CG GLU A 448 -20.181 29.317 10.390 1.00 86.25 C +ATOM 3595 CD GLU A 448 -19.974 30.718 9.792 1.00 86.25 C +ATOM 3596 OE1 GLU A 448 -20.906 31.233 9.148 1.00 86.25 O +ATOM 3597 OE2 GLU A 448 -18.880 31.306 9.972 1.00 86.25 O +ATOM 3598 N GLY A 449 -18.290 26.868 14.169 1.00 90.88 N +ATOM 3599 CA GLY A 449 -17.254 26.410 15.088 1.00 90.88 C +ATOM 3600 C GLY A 449 -16.333 27.522 15.603 1.00 90.88 C +ATOM 3601 O GLY A 449 -15.226 27.237 16.058 1.00 90.88 O +ATOM 3602 N LYS A 450 -16.753 28.789 15.576 1.00 92.69 N +ATOM 3603 CA LYS A 450 -15.937 29.915 16.062 1.00 92.69 C +ATOM 3604 C LYS A 450 -15.866 29.987 17.585 1.00 92.69 C +ATOM 3605 CB LYS A 450 -16.471 31.232 15.484 1.00 92.69 C +ATOM 3606 O LYS A 450 -14.792 30.247 18.128 1.00 92.69 O +ATOM 3607 CG LYS A 450 -16.328 31.282 13.958 1.00 92.69 C +ATOM 3608 CD LYS A 450 -17.025 32.523 13.397 1.00 92.69 C +ATOM 3609 CE LYS A 450 -16.936 32.479 11.873 1.00 92.69 C +ATOM 3610 NZ LYS A 450 -17.917 33.380 11.233 1.00 92.69 N +ATOM 3611 N PHE A 451 -16.974 29.740 18.288 1.00 95.88 N +ATOM 3612 CA PHE A 451 -17.023 29.860 19.748 1.00 95.88 C +ATOM 3613 C PHE A 451 -18.059 28.956 20.433 1.00 95.88 C +ATOM 3614 CB PHE A 451 -17.246 31.332 20.140 1.00 95.88 C +ATOM 3615 O PHE A 451 -19.002 28.446 19.825 1.00 95.88 O +ATOM 3616 CG PHE A 451 -18.581 31.911 19.710 1.00 95.88 C +ATOM 3617 CD1 PHE A 451 -18.690 32.590 18.482 1.00 95.88 C +ATOM 3618 CD2 PHE A 451 -19.727 31.723 20.508 1.00 95.88 C +ATOM 3619 CE1 PHE A 451 -19.939 33.055 18.040 1.00 95.88 C +ATOM 3620 CE2 PHE A 451 -20.980 32.170 20.055 1.00 95.88 C +ATOM 3621 CZ PHE A 451 -21.083 32.832 18.819 1.00 95.88 C +ATOM 3622 N VAL A 452 -17.889 28.809 21.748 1.00 96.75 N +ATOM 3623 CA VAL A 452 -18.884 28.272 22.688 1.00 96.75 C +ATOM 3624 C VAL A 452 -19.081 29.294 23.803 1.00 96.75 C +ATOM 3625 CB VAL A 452 -18.432 26.915 23.262 1.00 96.75 C +ATOM 3626 O VAL A 452 -18.104 29.775 24.374 1.00 96.75 O +ATOM 3627 CG1 VAL A 452 -19.391 26.406 24.349 1.00 96.75 C +ATOM 3628 CG2 VAL A 452 -18.356 25.849 22.162 1.00 96.75 C +ATOM 3629 N ARG A 453 -20.331 29.625 24.128 1.00 96.94 N +ATOM 3630 CA ARG A 453 -20.687 30.625 25.137 1.00 96.94 C +ATOM 3631 C ARG A 453 -21.400 29.976 26.316 1.00 96.94 C +ATOM 3632 CB ARG A 453 -21.519 31.730 24.476 1.00 96.94 C +ATOM 3633 O ARG A 453 -22.375 29.241 26.143 1.00 96.94 O +ATOM 3634 CG ARG A 453 -21.505 33.019 25.306 1.00 96.94 C +ATOM 3635 CD ARG A 453 -22.238 34.179 24.617 1.00 96.94 C +ATOM 3636 NE ARG A 453 -21.737 34.467 23.257 1.00 96.94 N +ATOM 3637 NH1 ARG A 453 -23.636 35.491 22.509 1.00 96.94 N +ATOM 3638 NH2 ARG A 453 -22.133 34.843 21.030 1.00 96.94 N +ATOM 3639 CZ ARG A 453 -22.481 34.948 22.277 1.00 96.94 C +ATOM 3640 N LEU A 454 -20.912 30.251 27.520 1.00 97.31 N +ATOM 3641 CA LEU A 454 -21.481 29.767 28.774 1.00 97.31 C +ATOM 3642 C LEU A 454 -22.021 30.937 29.590 1.00 97.31 C +ATOM 3643 CB LEU A 454 -20.432 29.007 29.598 1.00 97.31 C +ATOM 3644 O LEU A 454 -21.412 32.005 29.620 1.00 97.31 O +ATOM 3645 CG LEU A 454 -19.683 27.871 28.885 1.00 97.31 C +ATOM 3646 CD1 LEU A 454 -18.757 27.208 29.902 1.00 97.31 C +ATOM 3647 CD2 LEU A 454 -20.618 26.804 28.322 1.00 97.31 C +ATOM 3648 N ARG A 455 -23.113 30.703 30.317 1.00 96.31 N +ATOM 3649 CA ARG A 455 -23.713 31.687 31.223 1.00 96.31 C +ATOM 3650 C ARG A 455 -23.953 31.082 32.589 1.00 96.31 C +ATOM 3651 CB ARG A 455 -25.011 32.215 30.605 1.00 96.31 C +ATOM 3652 O ARG A 455 -24.572 30.021 32.691 1.00 96.31 O +ATOM 3653 CG ARG A 455 -25.698 33.295 31.457 1.00 96.31 C +ATOM 3654 CD ARG A 455 -27.020 33.779 30.852 1.00 96.31 C +ATOM 3655 NE ARG A 455 -26.853 34.524 29.590 1.00 96.31 N +ATOM 3656 NH1 ARG A 455 -28.691 35.896 29.772 1.00 96.31 N +ATOM 3657 NH2 ARG A 455 -27.351 36.109 28.029 1.00 96.31 N +ATOM 3658 CZ ARG A 455 -27.623 35.500 29.137 1.00 96.31 C +ATOM 3659 N ASN A 456 -23.533 31.788 33.632 1.00 96.44 N +ATOM 3660 CA ASN A 456 -23.986 31.504 34.985 1.00 96.44 C +ATOM 3661 C ASN A 456 -25.415 32.042 35.153 1.00 96.44 C +ATOM 3662 CB ASN A 456 -22.986 32.099 35.984 1.00 96.44 C +ATOM 3663 O ASN A 456 -25.636 33.250 35.151 1.00 96.44 O +ATOM 3664 CG ASN A 456 -23.294 31.712 37.417 1.00 96.44 C +ATOM 3665 ND2 ASN A 456 -22.406 32.023 38.325 1.00 96.44 N +ATOM 3666 OD1 ASN A 456 -24.317 31.113 37.722 1.00 96.44 O +ATOM 3667 N LYS A 457 -26.392 31.137 35.251 1.00 94.44 N +ATOM 3668 CA LYS A 457 -27.816 31.458 35.429 1.00 94.44 C +ATOM 3669 C LYS A 457 -28.222 31.593 36.899 1.00 94.44 C +ATOM 3670 CB LYS A 457 -28.686 30.410 34.719 1.00 94.44 C +ATOM 3671 O LYS A 457 -29.396 31.808 37.179 1.00 94.44 O +ATOM 3672 CG LYS A 457 -28.586 30.487 33.190 1.00 94.44 C +ATOM 3673 CD LYS A 457 -29.646 29.569 32.567 1.00 94.44 C +ATOM 3674 CE LYS A 457 -29.697 29.744 31.047 1.00 94.44 C +ATOM 3675 NZ LYS A 457 -30.796 28.940 30.457 1.00 94.44 N +ATOM 3676 N SER A 458 -27.280 31.438 37.825 1.00 92.12 N +ATOM 3677 CA SER A 458 -27.522 31.626 39.253 1.00 92.12 C +ATOM 3678 C SER A 458 -27.151 33.037 39.714 1.00 92.12 C +ATOM 3679 CB SER A 458 -26.807 30.542 40.061 1.00 92.12 C +ATOM 3680 O SER A 458 -26.448 33.783 39.029 1.00 92.12 O +ATOM 3681 OG SER A 458 -25.424 30.786 40.154 1.00 92.12 O +ATOM 3682 N ASN A 459 -27.626 33.379 40.907 1.00 93.31 N +ATOM 3683 CA ASN A 459 -27.286 34.585 41.657 1.00 93.31 C +ATOM 3684 C ASN A 459 -26.009 34.427 42.507 1.00 93.31 C +ATOM 3685 CB ASN A 459 -28.500 34.980 42.520 1.00 93.31 C +ATOM 3686 O ASN A 459 -25.695 35.315 43.293 1.00 93.31 O +ATOM 3687 CG ASN A 459 -28.887 33.920 43.543 1.00 93.31 C +ATOM 3688 ND2 ASN A 459 -29.516 34.305 44.625 1.00 93.31 N +ATOM 3689 OD1 ASN A 459 -28.681 32.730 43.362 1.00 93.31 O +ATOM 3690 N GLU A 460 -25.272 33.324 42.353 1.00 94.06 N +ATOM 3691 CA GLU A 460 -24.045 33.041 43.096 1.00 94.06 C +ATOM 3692 C GLU A 460 -22.866 32.789 42.152 1.00 94.06 C +ATOM 3693 CB GLU A 460 -24.245 31.826 44.010 1.00 94.06 C +ATOM 3694 O GLU A 460 -23.020 32.262 41.047 1.00 94.06 O +ATOM 3695 CG GLU A 460 -25.214 32.068 45.178 1.00 94.06 C +ATOM 3696 CD GLU A 460 -25.314 30.858 46.126 1.00 94.06 C +ATOM 3697 OE1 GLU A 460 -26.203 30.867 46.997 1.00 94.06 O +ATOM 3698 OE2 GLU A 460 -24.507 29.902 45.981 1.00 94.06 O +ATOM 3699 N ASP A 461 -21.660 33.127 42.600 1.00 95.69 N +ATOM 3700 CA ASP A 461 -20.437 32.862 41.846 1.00 95.69 C +ATOM 3701 C ASP A 461 -20.179 31.348 41.741 1.00 95.69 C +ATOM 3702 CB ASP A 461 -19.249 33.606 42.481 1.00 95.69 C +ATOM 3703 O ASP A 461 -20.381 30.590 42.693 1.00 95.69 O +ATOM 3704 CG ASP A 461 -19.294 35.134 42.310 1.00 95.69 C +ATOM 3705 OD1 ASP A 461 -20.237 35.645 41.660 1.00 95.69 O +ATOM 3706 OD2 ASP A 461 -18.319 35.784 42.746 1.00 95.69 O +ATOM 3707 N GLN A 462 -19.718 30.893 40.573 1.00 95.25 N +ATOM 3708 CA GLN A 462 -19.367 29.493 40.332 1.00 95.25 C +ATOM 3709 C GLN A 462 -17.877 29.374 40.022 1.00 95.25 C +ATOM 3710 CB GLN A 462 -20.243 28.906 39.212 1.00 95.25 C +ATOM 3711 O GLN A 462 -17.398 29.828 38.980 1.00 95.25 O +ATOM 3712 CG GLN A 462 -19.928 27.426 38.917 1.00 95.25 C +ATOM 3713 CD GLN A 462 -20.254 26.492 40.076 1.00 95.25 C +ATOM 3714 NE2 GLN A 462 -19.274 25.885 40.708 1.00 95.25 N +ATOM 3715 OE1 GLN A 462 -21.403 26.283 40.423 1.00 95.25 O +ATOM 3716 N SER A 463 -17.137 28.694 40.895 1.00 94.50 N +ATOM 3717 CA SER A 463 -15.781 28.246 40.587 1.00 94.50 C +ATOM 3718 C SER A 463 -15.842 27.114 39.554 1.00 94.50 C +ATOM 3719 CB SER A 463 -15.051 27.836 41.871 1.00 94.50 C +ATOM 3720 O SER A 463 -16.536 26.115 39.743 1.00 94.50 O +ATOM 3721 OG SER A 463 -15.800 26.881 42.597 1.00 94.50 O +ATOM 3722 N MET A 464 -15.135 27.277 38.435 1.00 94.19 N +ATOM 3723 CA MET A 464 -15.077 26.303 37.333 1.00 94.19 C +ATOM 3724 C MET A 464 -13.641 25.835 37.069 1.00 94.19 C +ATOM 3725 CB MET A 464 -15.753 26.840 36.067 1.00 94.19 C +ATOM 3726 O MET A 464 -13.256 25.513 35.944 1.00 94.19 O +ATOM 3727 CG MET A 464 -17.235 27.164 36.249 1.00 94.19 C +ATOM 3728 SD MET A 464 -18.147 27.292 34.685 1.00 94.19 S +ATOM 3729 CE MET A 464 -17.162 28.525 33.809 1.00 94.19 C +ATOM 3730 N GLY A 465 -12.821 25.804 38.119 1.00 91.75 N +ATOM 3731 CA GLY A 465 -11.453 25.311 38.044 1.00 91.75 C +ATOM 3732 C GLY A 465 -11.408 23.872 37.537 1.00 91.75 C +ATOM 3733 O GLY A 465 -12.049 22.994 38.107 1.00 91.75 O +ATOM 3734 N ASN A 466 -10.634 23.622 36.478 1.00 92.81 N +ATOM 3735 CA ASN A 466 -10.493 22.309 35.832 1.00 92.81 C +ATOM 3736 C ASN A 466 -11.754 21.738 35.171 1.00 92.81 C +ATOM 3737 CB ASN A 466 -9.880 21.285 36.805 1.00 92.81 C +ATOM 3738 O ASN A 466 -11.729 20.581 34.749 1.00 92.81 O +ATOM 3739 CG ASN A 466 -8.563 21.744 37.366 1.00 92.81 C +ATOM 3740 ND2 ASN A 466 -8.437 21.848 38.665 1.00 92.81 N +ATOM 3741 OD1 ASN A 466 -7.615 21.949 36.624 1.00 92.81 O +ATOM 3742 N TRP A 467 -12.823 22.520 35.042 1.00 97.25 N +ATOM 3743 CA TRP A 467 -13.990 22.093 34.277 1.00 97.25 C +ATOM 3744 C TRP A 467 -13.619 21.926 32.806 1.00 97.25 C +ATOM 3745 CB TRP A 467 -15.135 23.085 34.470 1.00 97.25 C +ATOM 3746 O TRP A 467 -12.649 22.521 32.321 1.00 97.25 O +ATOM 3747 CG TRP A 467 -15.814 23.030 35.805 1.00 97.25 C +ATOM 3748 CD1 TRP A 467 -15.258 22.713 37.000 1.00 97.25 C +ATOM 3749 CD2 TRP A 467 -17.223 23.269 36.085 1.00 97.25 C +ATOM 3750 CE2 TRP A 467 -17.451 23.075 37.479 1.00 97.25 C +ATOM 3751 CE3 TRP A 467 -18.332 23.628 35.293 1.00 97.25 C +ATOM 3752 NE1 TRP A 467 -16.215 22.752 37.991 1.00 97.25 N +ATOM 3753 CH2 TRP A 467 -19.801 23.582 37.245 1.00 97.25 C +ATOM 3754 CZ2 TRP A 467 -18.717 23.217 38.059 1.00 97.25 C +ATOM 3755 CZ3 TRP A 467 -19.603 23.803 35.870 1.00 97.25 C +ATOM 3756 N GLN A 468 -14.377 21.103 32.093 1.00 96.88 N +ATOM 3757 CA GLN A 468 -14.111 20.792 30.696 1.00 96.88 C +ATOM 3758 C GLN A 468 -15.327 21.058 29.824 1.00 96.88 C +ATOM 3759 CB GLN A 468 -13.628 19.346 30.532 1.00 96.88 C +ATOM 3760 O GLN A 468 -16.457 20.771 30.208 1.00 96.88 O +ATOM 3761 CG GLN A 468 -12.276 19.108 31.214 1.00 96.88 C +ATOM 3762 CD GLN A 468 -11.799 17.665 31.105 1.00 96.88 C +ATOM 3763 NE2 GLN A 468 -10.775 17.309 31.849 1.00 96.88 N +ATOM 3764 OE1 GLN A 468 -12.321 16.830 30.377 1.00 96.88 O +ATOM 3765 N ILE A 469 -15.076 21.552 28.618 1.00 97.12 N +ATOM 3766 CA ILE A 469 -16.056 21.564 27.538 1.00 97.12 C +ATOM 3767 C ILE A 469 -15.651 20.455 26.579 1.00 97.12 C +ATOM 3768 CB ILE A 469 -16.122 22.930 26.832 1.00 97.12 C +ATOM 3769 O ILE A 469 -14.553 20.503 26.023 1.00 97.12 O +ATOM 3770 CG1 ILE A 469 -16.405 24.067 27.835 1.00 97.12 C +ATOM 3771 CG2 ILE A 469 -17.189 22.891 25.722 1.00 97.12 C +ATOM 3772 CD1 ILE A 469 -16.335 25.465 27.212 1.00 97.12 C +ATOM 3773 N LYS A 470 -16.529 19.473 26.387 1.00 95.62 N +ATOM 3774 CA LYS A 470 -16.349 18.407 25.401 1.00 95.62 C +ATOM 3775 C LYS A 470 -17.322 18.612 24.252 1.00 95.62 C +ATOM 3776 CB LYS A 470 -16.483 17.023 26.046 1.00 95.62 C +ATOM 3777 O LYS A 470 -18.534 18.630 24.475 1.00 95.62 O +ATOM 3778 CG LYS A 470 -15.361 16.777 27.065 1.00 95.62 C +ATOM 3779 CD LYS A 470 -15.250 15.289 27.410 1.00 95.62 C +ATOM 3780 CE LYS A 470 -14.198 15.060 28.496 1.00 95.62 C +ATOM 3781 NZ LYS A 470 -14.154 13.638 28.914 1.00 95.62 N +ATOM 3782 N ARG A 471 -16.799 18.770 23.037 1.00 93.94 N +ATOM 3783 CA ARG A 471 -17.590 18.922 21.814 1.00 93.94 C +ATOM 3784 C ARG A 471 -17.333 17.767 20.857 1.00 93.94 C +ATOM 3785 CB ARG A 471 -17.362 20.299 21.180 1.00 93.94 C +ATOM 3786 O ARG A 471 -16.190 17.494 20.507 1.00 93.94 O +ATOM 3787 CG ARG A 471 -18.203 20.469 19.903 1.00 93.94 C +ATOM 3788 CD ARG A 471 -18.310 21.947 19.530 1.00 93.94 C +ATOM 3789 NE ARG A 471 -19.012 22.164 18.250 1.00 93.94 N +ATOM 3790 NH1 ARG A 471 -19.310 24.437 18.481 1.00 93.94 N +ATOM 3791 NH2 ARG A 471 -19.922 23.495 16.609 1.00 93.94 N +ATOM 3792 CZ ARG A 471 -19.420 23.340 17.793 1.00 93.94 C +ATOM 3793 N GLN A 472 -18.416 17.114 20.451 1.00 91.00 N +ATOM 3794 CA GLN A 472 -18.430 16.013 19.495 1.00 91.00 C +ATOM 3795 C GLN A 472 -19.220 16.431 18.255 1.00 91.00 C +ATOM 3796 CB GLN A 472 -19.048 14.782 20.169 1.00 91.00 C +ATOM 3797 O GLN A 472 -20.376 16.853 18.379 1.00 91.00 O +ATOM 3798 CG GLN A 472 -18.836 13.514 19.333 1.00 91.00 C +ATOM 3799 CD GLN A 472 -19.293 12.248 20.051 1.00 91.00 C +ATOM 3800 NE2 GLN A 472 -18.950 11.096 19.522 1.00 91.00 N +ATOM 3801 OE1 GLN A 472 -19.956 12.278 21.083 1.00 91.00 O +ATOM 3802 N ASN A 473 -18.604 16.305 17.081 1.00 86.62 N +ATOM 3803 CA ASN A 473 -19.188 16.685 15.798 1.00 86.62 C +ATOM 3804 C ASN A 473 -19.343 15.422 14.942 1.00 86.62 C +ATOM 3805 CB ASN A 473 -18.290 17.740 15.128 1.00 86.62 C +ATOM 3806 O ASN A 473 -18.421 15.027 14.240 1.00 86.62 O +ATOM 3807 CG ASN A 473 -18.061 19.001 15.940 1.00 86.62 C +ATOM 3808 ND2 ASN A 473 -16.977 19.672 15.656 1.00 86.62 N +ATOM 3809 OD1 ASN A 473 -18.817 19.406 16.817 1.00 86.62 O +ATOM 3810 N GLY A 474 -20.491 14.750 15.041 1.00 79.44 N +ATOM 3811 CA GLY A 474 -20.665 13.431 14.421 1.00 79.44 C +ATOM 3812 C GLY A 474 -19.588 12.438 14.877 1.00 79.44 C +ATOM 3813 O GLY A 474 -19.433 12.215 16.081 1.00 79.44 O +ATOM 3814 N ASP A 475 -18.846 11.900 13.910 1.00 76.06 N +ATOM 3815 CA ASP A 475 -17.785 10.905 14.115 1.00 76.06 C +ATOM 3816 C ASP A 475 -16.378 11.522 14.225 1.00 76.06 C +ATOM 3817 CB ASP A 475 -17.872 9.844 13.005 1.00 76.06 C +ATOM 3818 O ASP A 475 -15.387 10.799 14.350 1.00 76.06 O +ATOM 3819 CG ASP A 475 -19.231 9.135 12.984 1.00 76.06 C +ATOM 3820 OD1 ASP A 475 -19.768 8.854 14.082 1.00 76.06 O +ATOM 3821 OD2 ASP A 475 -19.750 8.915 11.869 1.00 76.06 O +ATOM 3822 N ASP A 476 -16.273 12.856 14.215 1.00 82.69 N +ATOM 3823 CA ASP A 476 -14.993 13.544 14.359 1.00 82.69 C +ATOM 3824 C ASP A 476 -14.389 13.358 15.765 1.00 82.69 C +ATOM 3825 CB ASP A 476 -15.118 15.046 14.059 1.00 82.69 C +ATOM 3826 O ASP A 476 -15.113 13.187 16.758 1.00 82.69 O +ATOM 3827 CG ASP A 476 -15.297 15.400 12.581 1.00 82.69 C +ATOM 3828 OD1 ASP A 476 -15.025 14.539 11.716 1.00 82.69 O +ATOM 3829 OD2 ASP A 476 -15.632 16.583 12.343 1.00 82.69 O +ATOM 3830 N PRO A 477 -13.052 13.470 15.889 1.00 83.94 N +ATOM 3831 CA PRO A 477 -12.362 13.400 17.169 1.00 83.94 C +ATOM 3832 C PRO A 477 -12.938 14.368 18.210 1.00 83.94 C +ATOM 3833 CB PRO A 477 -10.893 13.710 16.867 1.00 83.94 C +ATOM 3834 O PRO A 477 -13.164 15.550 17.946 1.00 83.94 O +ATOM 3835 CG PRO A 477 -10.735 13.300 15.404 1.00 83.94 C +ATOM 3836 CD PRO A 477 -12.094 13.633 14.803 1.00 83.94 C +ATOM 3837 N LEU A 478 -13.135 13.868 19.432 1.00 89.75 N +ATOM 3838 CA LEU A 478 -13.726 14.632 20.527 1.00 89.75 C +ATOM 3839 C LEU A 478 -12.829 15.807 20.944 1.00 89.75 C +ATOM 3840 CB LEU A 478 -13.998 13.674 21.701 1.00 89.75 C +ATOM 3841 O LEU A 478 -11.748 15.620 21.508 1.00 89.75 O +ATOM 3842 CG LEU A 478 -14.777 14.303 22.870 1.00 89.75 C +ATOM 3843 CD1 LEU A 478 -16.226 14.595 22.490 1.00 89.75 C +ATOM 3844 CD2 LEU A 478 -14.809 13.316 24.037 1.00 89.75 C +ATOM 3845 N LEU A 479 -13.316 17.029 20.751 1.00 92.94 N +ATOM 3846 CA LEU A 479 -12.618 18.248 21.146 1.00 92.94 C +ATOM 3847 C LEU A 479 -12.839 18.514 22.633 1.00 92.94 C +ATOM 3848 CB LEU A 479 -13.111 19.416 20.280 1.00 92.94 C +ATOM 3849 O LEU A 479 -13.979 18.569 23.092 1.00 92.94 O +ATOM 3850 CG LEU A 479 -12.799 19.264 18.780 1.00 92.94 C +ATOM 3851 CD1 LEU A 479 -13.387 20.461 18.041 1.00 92.94 C +ATOM 3852 CD2 LEU A 479 -11.297 19.213 18.500 1.00 92.94 C +ATOM 3853 N THR A 480 -11.757 18.695 23.392 1.00 95.81 N +ATOM 3854 CA THR A 480 -11.825 18.944 24.839 1.00 95.81 C +ATOM 3855 C THR A 480 -11.044 20.198 25.220 1.00 95.81 C +ATOM 3856 CB THR A 480 -11.342 17.727 25.641 1.00 95.81 C +ATOM 3857 O THR A 480 -9.817 20.217 25.156 1.00 95.81 O +ATOM 3858 CG2 THR A 480 -11.484 17.940 27.151 1.00 95.81 C +ATOM 3859 OG1 THR A 480 -12.117 16.592 25.318 1.00 95.81 O +ATOM 3860 N TYR A 481 -11.756 21.224 25.682 1.00 96.25 N +ATOM 3861 CA TYR A 481 -11.174 22.414 26.305 1.00 96.25 C +ATOM 3862 C TYR A 481 -11.233 22.287 27.826 1.00 96.25 C +ATOM 3863 CB TYR A 481 -11.932 23.659 25.846 1.00 96.25 C +ATOM 3864 O TYR A 481 -12.247 21.845 28.362 1.00 96.25 O +ATOM 3865 CG TYR A 481 -11.484 24.933 26.533 1.00 96.25 C +ATOM 3866 CD1 TYR A 481 -12.245 25.489 27.582 1.00 96.25 C +ATOM 3867 CD2 TYR A 481 -10.278 25.540 26.144 1.00 96.25 C +ATOM 3868 CE1 TYR A 481 -11.805 26.660 28.227 1.00 96.25 C +ATOM 3869 CE2 TYR A 481 -9.837 26.715 26.779 1.00 96.25 C +ATOM 3870 OH TYR A 481 -10.173 28.407 28.442 1.00 96.25 O +ATOM 3871 CZ TYR A 481 -10.603 27.277 27.824 1.00 96.25 C +ATOM 3872 N ARG A 482 -10.181 22.711 28.534 1.00 95.50 N +ATOM 3873 CA ARG A 482 -10.111 22.686 30.002 1.00 95.50 C +ATOM 3874 C ARG A 482 -9.896 24.090 30.554 1.00 95.50 C +ATOM 3875 CB ARG A 482 -9.022 21.698 30.442 1.00 95.50 C +ATOM 3876 O ARG A 482 -8.961 24.779 30.150 1.00 95.50 O +ATOM 3877 CG ARG A 482 -8.944 21.535 31.969 1.00 95.50 C +ATOM 3878 CD ARG A 482 -7.936 20.434 32.314 1.00 95.50 C +ATOM 3879 NE ARG A 482 -7.725 20.307 33.768 1.00 95.50 N +ATOM 3880 NH1 ARG A 482 -6.622 18.288 33.740 1.00 95.50 N +ATOM 3881 NH2 ARG A 482 -6.952 19.346 35.673 1.00 95.50 N +ATOM 3882 CZ ARG A 482 -7.109 19.313 34.383 1.00 95.50 C +ATOM 3883 N PHE A 483 -10.729 24.485 31.512 1.00 95.94 N +ATOM 3884 CA PHE A 483 -10.616 25.774 32.185 1.00 95.94 C +ATOM 3885 C PHE A 483 -9.385 25.837 33.100 1.00 95.94 C +ATOM 3886 CB PHE A 483 -11.887 26.075 32.985 1.00 95.94 C +ATOM 3887 O PHE A 483 -9.045 24.838 33.749 1.00 95.94 O +ATOM 3888 CG PHE A 483 -13.024 26.571 32.122 1.00 95.94 C +ATOM 3889 CD1 PHE A 483 -13.163 27.949 31.867 1.00 95.94 C +ATOM 3890 CD2 PHE A 483 -13.938 25.660 31.566 1.00 95.94 C +ATOM 3891 CE1 PHE A 483 -14.217 28.411 31.063 1.00 95.94 C +ATOM 3892 CE2 PHE A 483 -14.993 26.122 30.765 1.00 95.94 C +ATOM 3893 CZ PHE A 483 -15.125 27.495 30.509 1.00 95.94 C +ATOM 3894 N PRO A 484 -8.744 27.018 33.220 1.00 93.19 N +ATOM 3895 CA PRO A 484 -7.676 27.238 34.185 1.00 93.19 C +ATOM 3896 C PRO A 484 -8.114 26.880 35.618 1.00 93.19 C +ATOM 3897 CB PRO A 484 -7.307 28.721 34.072 1.00 93.19 C +ATOM 3898 O PRO A 484 -9.256 27.155 35.988 1.00 93.19 O +ATOM 3899 CG PRO A 484 -7.723 29.083 32.648 1.00 93.19 C +ATOM 3900 CD PRO A 484 -8.960 28.219 32.422 1.00 93.19 C +ATOM 3901 N PRO A 485 -7.223 26.339 36.472 1.00 91.56 N +ATOM 3902 CA PRO A 485 -7.582 25.863 37.814 1.00 91.56 C +ATOM 3903 C PRO A 485 -8.228 26.902 38.743 1.00 91.56 C +ATOM 3904 CB PRO A 485 -6.268 25.363 38.424 1.00 91.56 C +ATOM 3905 O PRO A 485 -8.915 26.523 39.683 1.00 91.56 O +ATOM 3906 CG PRO A 485 -5.438 24.953 37.212 1.00 91.56 C +ATOM 3907 CD PRO A 485 -5.855 25.959 36.147 1.00 91.56 C +ATOM 3908 N LYS A 486 -8.011 28.201 38.497 1.00 90.31 N +ATOM 3909 CA LYS A 486 -8.518 29.317 39.317 1.00 90.31 C +ATOM 3910 C LYS A 486 -9.610 30.145 38.619 1.00 90.31 C +ATOM 3911 CB LYS A 486 -7.348 30.194 39.808 1.00 90.31 C +ATOM 3912 O LYS A 486 -9.805 31.305 38.967 1.00 90.31 O +ATOM 3913 CG LYS A 486 -6.351 29.447 40.709 1.00 90.31 C +ATOM 3914 CD LYS A 486 -5.296 30.421 41.255 1.00 90.31 C +ATOM 3915 CE LYS A 486 -4.306 29.693 42.174 1.00 90.31 C +ATOM 3916 NZ LYS A 486 -3.289 30.622 42.733 1.00 90.31 N +ATOM 3917 N PHE A 487 -10.277 29.601 37.600 1.00 95.19 N +ATOM 3918 CA PHE A 487 -11.329 30.327 36.887 1.00 95.19 C +ATOM 3919 C PHE A 487 -12.646 30.335 37.679 1.00 95.19 C +ATOM 3920 CB PHE A 487 -11.507 29.744 35.479 1.00 95.19 C +ATOM 3921 O PHE A 487 -13.143 29.277 38.070 1.00 95.19 O +ATOM 3922 CG PHE A 487 -12.427 30.579 34.611 1.00 95.19 C +ATOM 3923 CD1 PHE A 487 -13.777 30.221 34.452 1.00 95.19 C +ATOM 3924 CD2 PHE A 487 -11.943 31.746 33.990 1.00 95.19 C +ATOM 3925 CE1 PHE A 487 -14.639 31.024 33.685 1.00 95.19 C +ATOM 3926 CE2 PHE A 487 -12.809 32.550 33.229 1.00 95.19 C +ATOM 3927 CZ PHE A 487 -14.158 32.194 33.081 1.00 95.19 C +ATOM 3928 N THR A 488 -13.230 31.520 37.860 1.00 94.44 N +ATOM 3929 CA THR A 488 -14.528 31.723 38.519 1.00 94.44 C +ATOM 3930 C THR A 488 -15.419 32.563 37.617 1.00 94.44 C +ATOM 3931 CB THR A 488 -14.369 32.400 39.890 1.00 94.44 C +ATOM 3932 O THR A 488 -15.011 33.635 37.171 1.00 94.44 O +ATOM 3933 CG2 THR A 488 -15.695 32.594 40.627 1.00 94.44 C +ATOM 3934 OG1 THR A 488 -13.571 31.595 40.727 1.00 94.44 O +ATOM 3935 N LEU A 489 -16.632 32.077 37.362 1.00 95.56 N +ATOM 3936 CA LEU A 489 -17.652 32.781 36.596 1.00 95.56 C +ATOM 3937 C LEU A 489 -18.657 33.404 37.565 1.00 95.56 C +ATOM 3938 CB LEU A 489 -18.297 31.789 35.616 1.00 95.56 C +ATOM 3939 O LEU A 489 -19.366 32.680 38.271 1.00 95.56 O +ATOM 3940 CG LEU A 489 -19.256 32.429 34.599 1.00 95.56 C +ATOM 3941 CD1 LEU A 489 -18.510 33.357 33.638 1.00 95.56 C +ATOM 3942 CD2 LEU A 489 -19.921 31.333 33.763 1.00 95.56 C +ATOM 3943 N LYS A 490 -18.702 34.737 37.615 1.00 95.69 N +ATOM 3944 CA LYS A 490 -19.557 35.453 38.569 1.00 95.69 C +ATOM 3945 C LYS A 490 -21.044 35.241 38.290 1.00 95.69 C +ATOM 3946 CB LYS A 490 -19.210 36.947 38.610 1.00 95.69 C +ATOM 3947 O LYS A 490 -21.422 34.835 37.188 1.00 95.69 O +ATOM 3948 CG LYS A 490 -17.783 37.198 39.113 1.00 95.69 C +ATOM 3949 CD LYS A 490 -17.546 38.703 39.250 1.00 95.69 C +ATOM 3950 CE LYS A 490 -16.169 38.960 39.863 1.00 95.69 C +ATOM 3951 NZ LYS A 490 -15.957 40.409 40.092 1.00 95.69 N +ATOM 3952 N ALA A 491 -21.885 35.515 39.282 1.00 94.38 N +ATOM 3953 CA ALA A 491 -23.339 35.511 39.138 1.00 94.38 C +ATOM 3954 C ALA A 491 -23.791 36.332 37.913 1.00 94.38 C +ATOM 3955 CB ALA A 491 -23.941 36.077 40.423 1.00 94.38 C +ATOM 3956 O ALA A 491 -23.342 37.460 37.709 1.00 94.38 O +ATOM 3957 N GLY A 492 -24.645 35.753 37.063 1.00 93.06 N +ATOM 3958 CA GLY A 492 -25.130 36.390 35.830 1.00 93.06 C +ATOM 3959 C GLY A 492 -24.086 36.609 34.722 1.00 93.06 C +ATOM 3960 O GLY A 492 -24.446 37.066 33.637 1.00 93.06 O +ATOM 3961 N GLN A 493 -22.807 36.292 34.951 1.00 95.75 N +ATOM 3962 CA GLN A 493 -21.740 36.542 33.988 1.00 95.75 C +ATOM 3963 C GLN A 493 -21.763 35.526 32.837 1.00 95.75 C +ATOM 3964 CB GLN A 493 -20.381 36.586 34.706 1.00 95.75 C +ATOM 3965 O GLN A 493 -22.090 34.345 33.004 1.00 95.75 O +ATOM 3966 CG GLN A 493 -19.265 37.152 33.815 1.00 95.75 C +ATOM 3967 CD GLN A 493 -17.887 37.115 34.456 1.00 95.75 C +ATOM 3968 NE2 GLN A 493 -16.860 37.270 33.658 1.00 95.75 N +ATOM 3969 OE1 GLN A 493 -17.690 36.909 35.644 1.00 95.75 O +ATOM 3970 N VAL A 494 -21.351 36.002 31.664 1.00 96.38 N +ATOM 3971 CA VAL A 494 -21.156 35.214 30.449 1.00 96.38 C +ATOM 3972 C VAL A 494 -19.661 35.106 30.140 1.00 96.38 C +ATOM 3973 CB VAL A 494 -21.951 35.840 29.291 1.00 96.38 C +ATOM 3974 O VAL A 494 -18.917 36.075 30.302 1.00 96.38 O +ATOM 3975 CG1 VAL A 494 -21.807 35.044 27.998 1.00 96.38 C +ATOM 3976 CG2 VAL A 494 -23.454 35.891 29.606 1.00 96.38 C +ATOM 3977 N VAL A 495 -19.224 33.926 29.700 1.00 97.12 N +ATOM 3978 CA VAL A 495 -17.881 33.694 29.153 1.00 97.12 C +ATOM 3979 C VAL A 495 -17.987 33.064 27.770 1.00 97.12 C +ATOM 3980 CB VAL A 495 -16.980 32.881 30.106 1.00 97.12 C +ATOM 3981 O VAL A 495 -18.719 32.090 27.574 1.00 97.12 O +ATOM 3982 CG1 VAL A 495 -17.540 31.499 30.469 1.00 97.12 C +ATOM 3983 CG2 VAL A 495 -15.573 32.677 29.531 1.00 97.12 C +ATOM 3984 N THR A 496 -17.235 33.604 26.818 1.00 97.56 N +ATOM 3985 CA THR A 496 -17.112 33.082 25.459 1.00 97.56 C +ATOM 3986 C THR A 496 -15.738 32.453 25.283 1.00 97.56 C +ATOM 3987 CB THR A 496 -17.355 34.172 24.406 1.00 97.56 C +ATOM 3988 O THR A 496 -14.709 33.065 25.574 1.00 97.56 O +ATOM 3989 CG2 THR A 496 -17.509 33.557 23.018 1.00 97.56 C +ATOM 3990 OG1 THR A 496 -18.560 34.856 24.666 1.00 97.56 O +ATOM 3991 N ILE A 497 -15.719 31.207 24.818 1.00 97.25 N +ATOM 3992 CA ILE A 497 -14.504 30.456 24.538 1.00 97.25 C +ATOM 3993 C ILE A 497 -14.344 30.378 23.023 1.00 97.25 C +ATOM 3994 CB ILE A 497 -14.470 29.074 25.224 1.00 97.25 C +ATOM 3995 O ILE A 497 -15.034 29.617 22.341 1.00 97.25 O +ATOM 3996 CG1 ILE A 497 -14.771 29.110 26.743 1.00 97.25 C +ATOM 3997 CG2 ILE A 497 -13.047 28.507 25.040 1.00 97.25 C +ATOM 3998 CD1 ILE A 497 -16.263 29.166 27.104 1.00 97.25 C +ATOM 3999 N TRP A 498 -13.430 31.183 22.505 1.00 97.31 N +ATOM 4000 CA TRP A 498 -13.120 31.336 21.093 1.00 97.31 C +ATOM 4001 C TRP A 498 -12.087 30.308 20.640 1.00 97.31 C +ATOM 4002 CB TRP A 498 -12.610 32.760 20.871 1.00 97.31 C +ATOM 4003 O TRP A 498 -11.115 30.035 21.348 1.00 97.31 O +ATOM 4004 CG TRP A 498 -13.596 33.834 21.215 1.00 97.31 C +ATOM 4005 CD1 TRP A 498 -13.690 34.498 22.392 1.00 97.31 C +ATOM 4006 CD2 TRP A 498 -14.639 34.390 20.361 1.00 97.31 C +ATOM 4007 CE2 TRP A 498 -15.329 35.402 21.091 1.00 97.31 C +ATOM 4008 CE3 TRP A 498 -15.053 34.147 19.033 1.00 97.31 C +ATOM 4009 NE1 TRP A 498 -14.702 35.438 22.319 1.00 97.31 N +ATOM 4010 CH2 TRP A 498 -16.786 35.858 19.214 1.00 97.31 C +ATOM 4011 CZ2 TRP A 498 -16.392 36.126 20.536 1.00 97.31 C +ATOM 4012 CZ3 TRP A 498 -16.111 34.879 18.462 1.00 97.31 C +ATOM 4013 N ALA A 499 -12.267 29.756 19.445 1.00 95.62 N +ATOM 4014 CA ALA A 499 -11.211 29.011 18.772 1.00 95.62 C +ATOM 4015 C ALA A 499 -10.118 29.969 18.266 1.00 95.62 C +ATOM 4016 CB ALA A 499 -11.837 28.196 17.644 1.00 95.62 C +ATOM 4017 O ALA A 499 -10.393 31.131 17.967 1.00 95.62 O +ATOM 4018 N ALA A 500 -8.881 29.489 18.128 1.00 92.69 N +ATOM 4019 CA ALA A 500 -7.756 30.312 17.678 1.00 92.69 C +ATOM 4020 C ALA A 500 -7.992 30.942 16.291 1.00 92.69 C +ATOM 4021 CB ALA A 500 -6.493 29.443 17.680 1.00 92.69 C +ATOM 4022 O ALA A 500 -7.618 32.090 16.062 1.00 92.69 O +ATOM 4023 N GLY A 501 -8.667 30.221 15.388 1.00 90.56 N +ATOM 4024 CA GLY A 501 -8.976 30.692 14.037 1.00 90.56 C +ATOM 4025 C GLY A 501 -10.081 31.749 13.968 1.00 90.56 C +ATOM 4026 O GLY A 501 -10.253 32.361 12.921 1.00 90.56 O +ATOM 4027 N ALA A 502 -10.808 32.005 15.062 1.00 90.88 N +ATOM 4028 CA ALA A 502 -11.847 33.035 15.090 1.00 90.88 C +ATOM 4029 C ALA A 502 -11.278 34.466 15.144 1.00 90.88 C +ATOM 4030 CB ALA A 502 -12.786 32.752 16.268 1.00 90.88 C +ATOM 4031 O ALA A 502 -12.024 35.422 14.955 1.00 90.88 O +ATOM 4032 N GLY A 503 -9.977 34.627 15.425 1.00 89.31 N +ATOM 4033 CA GLY A 503 -9.316 35.936 15.464 1.00 89.31 C +ATOM 4034 C GLY A 503 -9.701 36.824 16.655 1.00 89.31 C +ATOM 4035 O GLY A 503 -9.371 38.006 16.660 1.00 89.31 O +ATOM 4036 N ALA A 504 -10.389 36.284 17.664 1.00 90.69 N +ATOM 4037 CA ALA A 504 -10.751 37.028 18.867 1.00 90.69 C +ATOM 4038 C ALA A 504 -9.535 37.287 19.776 1.00 90.69 C +ATOM 4039 CB ALA A 504 -11.863 36.276 19.603 1.00 90.69 C +ATOM 4040 O ALA A 504 -8.638 36.450 19.908 1.00 90.69 O +ATOM 4041 N THR A 505 -9.528 38.437 20.450 1.00 90.44 N +ATOM 4042 CA THR A 505 -8.488 38.805 21.421 1.00 90.44 C +ATOM 4043 C THR A 505 -8.738 38.119 22.764 1.00 90.44 C +ATOM 4044 CB THR A 505 -8.407 40.329 21.594 1.00 90.44 C +ATOM 4045 O THR A 505 -9.861 38.083 23.261 1.00 90.44 O +ATOM 4046 CG2 THR A 505 -7.233 40.769 22.469 1.00 90.44 C +ATOM 4047 OG1 THR A 505 -8.204 40.921 20.334 1.00 90.44 O +ATOM 4048 N HIS A 506 -7.684 37.578 23.380 1.00 93.62 N +ATOM 4049 CA HIS A 506 -7.788 36.920 24.681 1.00 93.62 C +ATOM 4050 C HIS A 506 -7.926 37.940 25.822 1.00 93.62 C +ATOM 4051 CB HIS A 506 -6.574 36.002 24.876 1.00 93.62 C +ATOM 4052 O HIS A 506 -6.929 38.533 26.232 1.00 93.62 O +ATOM 4053 CG HIS A 506 -6.680 35.134 26.102 1.00 93.62 C +ATOM 4054 CD2 HIS A 506 -5.702 34.897 27.029 1.00 93.62 C +ATOM 4055 ND1 HIS A 506 -7.789 34.422 26.489 1.00 93.62 N +ATOM 4056 CE1 HIS A 506 -7.461 33.715 27.582 1.00 93.62 C +ATOM 4057 NE2 HIS A 506 -6.199 33.972 27.953 1.00 93.62 N +ATOM 4058 N SER A 507 -9.140 38.077 26.363 1.00 92.12 N +ATOM 4059 CA SER A 507 -9.493 39.026 27.429 1.00 92.12 C +ATOM 4060 C SER A 507 -10.270 38.337 28.571 1.00 92.12 C +ATOM 4061 CB SER A 507 -10.301 40.191 26.838 1.00 92.12 C +ATOM 4062 O SER A 507 -11.490 38.475 28.674 1.00 92.12 O +ATOM 4063 OG SER A 507 -9.557 40.871 25.842 1.00 92.12 O +ATOM 4064 N PRO A 508 -9.605 37.558 29.450 1.00 88.94 N +ATOM 4065 CA PRO A 508 -10.255 36.951 30.612 1.00 88.94 C +ATOM 4066 C PRO A 508 -10.860 37.998 31.568 1.00 88.94 C +ATOM 4067 CB PRO A 508 -9.164 36.148 31.333 1.00 88.94 C +ATOM 4068 O PRO A 508 -10.283 39.073 31.725 1.00 88.94 O +ATOM 4069 CG PRO A 508 -8.102 35.923 30.263 1.00 88.94 C +ATOM 4070 CD PRO A 508 -8.207 37.167 29.388 1.00 88.94 C +ATOM 4071 N PRO A 509 -11.950 37.682 32.294 1.00 88.44 N +ATOM 4072 CA PRO A 509 -12.645 36.392 32.331 1.00 88.44 C +ATOM 4073 C PRO A 509 -13.764 36.231 31.287 1.00 88.44 C +ATOM 4074 CB PRO A 509 -13.199 36.306 33.758 1.00 88.44 C +ATOM 4075 O PRO A 509 -14.379 35.169 31.256 1.00 88.44 O +ATOM 4076 CG PRO A 509 -13.522 37.765 34.083 1.00 88.44 C +ATOM 4077 CD PRO A 509 -12.431 38.547 33.363 1.00 88.44 C +ATOM 4078 N THR A 510 -14.058 37.250 30.472 1.00 92.69 N +ATOM 4079 CA THR A 510 -15.176 37.227 29.510 1.00 92.69 C +ATOM 4080 C THR A 510 -14.826 36.495 28.222 1.00 92.69 C +ATOM 4081 CB THR A 510 -15.651 38.646 29.159 1.00 92.69 C +ATOM 4082 O THR A 510 -15.659 35.749 27.717 1.00 92.69 O +ATOM 4083 CG2 THR A 510 -16.228 39.348 30.393 1.00 92.69 C +ATOM 4084 OG1 THR A 510 -14.582 39.426 28.680 1.00 92.69 O +ATOM 4085 N ASP A 511 -13.595 36.643 27.728 1.00 96.06 N +ATOM 4086 CA ASP A 511 -13.175 36.114 26.430 1.00 96.06 C +ATOM 4087 C ASP A 511 -11.913 35.260 26.563 1.00 96.06 C +ATOM 4088 CB ASP A 511 -13.008 37.258 25.428 1.00 96.06 C +ATOM 4089 O ASP A 511 -10.791 35.734 26.773 1.00 96.06 O +ATOM 4090 CG ASP A 511 -14.359 37.928 25.190 1.00 96.06 C +ATOM 4091 OD1 ASP A 511 -15.132 37.354 24.384 1.00 96.06 O +ATOM 4092 OD2 ASP A 511 -14.627 38.940 25.882 1.00 96.06 O +ATOM 4093 N LEU A 512 -12.092 33.949 26.435 1.00 96.12 N +ATOM 4094 CA LEU A 512 -11.018 32.968 26.516 1.00 96.12 C +ATOM 4095 C LEU A 512 -10.702 32.445 25.116 1.00 96.12 C +ATOM 4096 CB LEU A 512 -11.400 31.849 27.496 1.00 96.12 C +ATOM 4097 O LEU A 512 -11.606 32.046 24.397 1.00 96.12 O +ATOM 4098 CG LEU A 512 -11.737 32.329 28.922 1.00 96.12 C +ATOM 4099 CD1 LEU A 512 -12.090 31.119 29.783 1.00 96.12 C +ATOM 4100 CD2 LEU A 512 -10.579 33.065 29.602 1.00 96.12 C +ATOM 4101 N VAL A 513 -9.427 32.414 24.724 1.00 95.81 N +ATOM 4102 CA VAL A 513 -9.013 31.908 23.407 1.00 95.81 C +ATOM 4103 C VAL A 513 -8.328 30.561 23.584 1.00 95.81 C +ATOM 4104 CB VAL A 513 -8.119 32.910 22.657 1.00 95.81 C +ATOM 4105 O VAL A 513 -7.309 30.448 24.272 1.00 95.81 O +ATOM 4106 CG1 VAL A 513 -7.648 32.348 21.308 1.00 95.81 C +ATOM 4107 CG2 VAL A 513 -8.868 34.218 22.383 1.00 95.81 C +ATOM 4108 N TRP A 514 -8.866 29.529 22.941 1.00 95.44 N +ATOM 4109 CA TRP A 514 -8.277 28.200 22.912 1.00 95.44 C +ATOM 4110 C TRP A 514 -7.201 28.114 21.824 1.00 95.44 C +ATOM 4111 CB TRP A 514 -9.368 27.140 22.762 1.00 95.44 C +ATOM 4112 O TRP A 514 -7.434 27.658 20.710 1.00 95.44 O +ATOM 4113 CG TRP A 514 -8.897 25.725 22.910 1.00 95.44 C +ATOM 4114 CD1 TRP A 514 -7.727 25.307 23.457 1.00 95.44 C +ATOM 4115 CD2 TRP A 514 -9.611 24.511 22.528 1.00 95.44 C +ATOM 4116 CE2 TRP A 514 -8.795 23.389 22.857 1.00 95.44 C +ATOM 4117 CE3 TRP A 514 -10.867 24.246 21.941 1.00 95.44 C +ATOM 4118 NE1 TRP A 514 -7.665 23.929 23.423 1.00 95.44 N +ATOM 4119 CH2 TRP A 514 -10.434 21.843 21.995 1.00 95.44 C +ATOM 4120 CZ2 TRP A 514 -9.188 22.072 22.597 1.00 95.44 C +ATOM 4121 CZ3 TRP A 514 -11.275 22.925 21.679 1.00 95.44 C +ATOM 4122 N LYS A 515 -5.988 28.556 22.171 1.00 91.69 N +ATOM 4123 CA LYS A 515 -4.855 28.700 21.235 1.00 91.69 C +ATOM 4124 C LYS A 515 -4.457 27.423 20.484 1.00 91.69 C +ATOM 4125 CB LYS A 515 -3.628 29.231 21.988 1.00 91.69 C +ATOM 4126 O LYS A 515 -3.903 27.522 19.400 1.00 91.69 O +ATOM 4127 CG LYS A 515 -3.846 30.639 22.557 1.00 91.69 C +ATOM 4128 CD LYS A 515 -2.555 31.151 23.205 1.00 91.69 C +ATOM 4129 CE LYS A 515 -2.777 32.559 23.764 1.00 91.69 C +ATOM 4130 NZ LYS A 515 -1.533 33.113 24.355 1.00 91.69 N +ATOM 4131 N ALA A 516 -4.697 26.248 21.065 1.00 91.75 N +ATOM 4132 CA ALA A 516 -4.296 24.970 20.476 1.00 91.75 C +ATOM 4133 C ALA A 516 -5.251 24.474 19.379 1.00 91.75 C +ATOM 4134 CB ALA A 516 -4.164 23.941 21.605 1.00 91.75 C +ATOM 4135 O ALA A 516 -4.910 23.534 18.671 1.00 91.75 O +ATOM 4136 N GLN A 517 -6.438 25.074 19.255 1.00 90.31 N +ATOM 4137 CA GLN A 517 -7.485 24.580 18.375 1.00 90.31 C +ATOM 4138 C GLN A 517 -7.991 25.697 17.460 1.00 90.31 C +ATOM 4139 CB GLN A 517 -8.593 23.977 19.251 1.00 90.31 C +ATOM 4140 O GLN A 517 -8.558 26.686 17.926 1.00 90.31 O +ATOM 4141 CG GLN A 517 -9.647 23.255 18.413 1.00 90.31 C +ATOM 4142 CD GLN A 517 -9.109 22.047 17.653 1.00 90.31 C +ATOM 4143 NE2 GLN A 517 -9.695 21.727 16.523 1.00 90.31 N +ATOM 4144 OE1 GLN A 517 -8.164 21.390 18.050 1.00 90.31 O +ATOM 4145 N ASN A 518 -7.834 25.525 16.145 1.00 91.94 N +ATOM 4146 CA ASN A 518 -8.242 26.540 15.166 1.00 91.94 C +ATOM 4147 C ASN A 518 -9.765 26.657 14.999 1.00 91.94 C +ATOM 4148 CB ASN A 518 -7.538 26.299 13.818 1.00 91.94 C +ATOM 4149 O ASN A 518 -10.239 27.719 14.608 1.00 91.94 O +ATOM 4150 CG ASN A 518 -6.105 26.806 13.802 1.00 91.94 C +ATOM 4151 ND2 ASN A 518 -5.568 27.104 12.644 1.00 91.94 N +ATOM 4152 OD1 ASN A 518 -5.456 26.955 14.821 1.00 91.94 O +ATOM 4153 N THR A 519 -10.535 25.615 15.326 1.00 92.25 N +ATOM 4154 CA THR A 519 -12.007 25.609 15.252 1.00 92.25 C +ATOM 4155 C THR A 519 -12.619 24.629 16.258 1.00 92.25 C +ATOM 4156 CB THR A 519 -12.480 25.288 13.822 1.00 92.25 C +ATOM 4157 O THR A 519 -12.054 23.567 16.519 1.00 92.25 O +ATOM 4158 CG2 THR A 519 -12.023 23.922 13.303 1.00 92.25 C +ATOM 4159 OG1 THR A 519 -13.887 25.302 13.780 1.00 92.25 O +ATOM 4160 N TRP A 520 -13.806 24.945 16.780 1.00 92.62 N +ATOM 4161 CA TRP A 520 -14.683 24.007 17.497 1.00 92.62 C +ATOM 4162 C TRP A 520 -15.353 22.974 16.572 1.00 92.62 C +ATOM 4163 CB TRP A 520 -15.738 24.804 18.268 1.00 92.62 C +ATOM 4164 O TRP A 520 -16.059 22.082 17.046 1.00 92.62 O +ATOM 4165 CG TRP A 520 -15.238 25.504 19.484 1.00 92.62 C +ATOM 4166 CD1 TRP A 520 -14.901 26.809 19.584 1.00 92.62 C +ATOM 4167 CD2 TRP A 520 -15.050 24.931 20.808 1.00 92.62 C +ATOM 4168 CE2 TRP A 520 -14.622 25.969 21.683 1.00 92.62 C +ATOM 4169 CE3 TRP A 520 -15.221 23.640 21.355 1.00 92.62 C +ATOM 4170 NE1 TRP A 520 -14.546 27.093 20.889 1.00 92.62 N +ATOM 4171 CH2 TRP A 520 -14.602 24.452 23.565 1.00 92.62 C +ATOM 4172 CZ2 TRP A 520 -14.404 25.739 23.044 1.00 92.62 C +ATOM 4173 CZ3 TRP A 520 -15.001 23.400 22.724 1.00 92.62 C +ATOM 4174 N GLY A 521 -15.127 23.099 15.265 1.00 86.44 N +ATOM 4175 CA GLY A 521 -15.627 22.235 14.208 1.00 86.44 C +ATOM 4176 C GLY A 521 -17.099 22.479 13.867 1.00 86.44 C +ATOM 4177 O GLY A 521 -17.912 22.887 14.702 1.00 86.44 O +ATOM 4178 N CYS A 522 -17.421 22.239 12.602 1.00 81.75 N +ATOM 4179 CA CYS A 522 -18.742 22.397 12.009 1.00 81.75 C +ATOM 4180 C CYS A 522 -19.285 21.021 11.593 1.00 81.75 C +ATOM 4181 CB CYS A 522 -18.638 23.400 10.850 1.00 81.75 C +ATOM 4182 O CYS A 522 -18.525 20.076 11.407 1.00 81.75 O +ATOM 4183 SG CYS A 522 -17.467 22.820 9.584 1.00 81.75 S +ATOM 4184 N GLY A 523 -20.605 20.874 11.489 1.00 83.56 N +ATOM 4185 CA GLY A 523 -21.206 19.579 11.177 1.00 83.56 C +ATOM 4186 C GLY A 523 -22.719 19.556 11.350 1.00 83.56 C +ATOM 4187 O GLY A 523 -23.324 20.518 11.821 1.00 83.56 O +ATOM 4188 N ASN A 524 -23.328 18.431 10.974 1.00 84.06 N +ATOM 4189 CA ASN A 524 -24.785 18.270 10.981 1.00 84.06 C +ATOM 4190 C ASN A 524 -25.342 17.846 12.348 1.00 84.06 C +ATOM 4191 CB ASN A 524 -25.184 17.276 9.878 1.00 84.06 C +ATOM 4192 O ASN A 524 -26.534 17.989 12.588 1.00 84.06 O +ATOM 4193 CG ASN A 524 -24.831 17.755 8.480 1.00 84.06 C +ATOM 4194 ND2 ASN A 524 -24.764 16.854 7.529 1.00 84.06 N +ATOM 4195 OD1 ASN A 524 -24.600 18.928 8.226 1.00 84.06 O +ATOM 4196 N SER A 525 -24.503 17.335 13.253 1.00 87.25 N +ATOM 4197 CA SER A 525 -24.884 16.990 14.625 1.00 87.25 C +ATOM 4198 C SER A 525 -23.761 17.376 15.579 1.00 87.25 C +ATOM 4199 CB SER A 525 -25.232 15.502 14.739 1.00 87.25 C +ATOM 4200 O SER A 525 -22.742 16.693 15.670 1.00 87.25 O +ATOM 4201 OG SER A 525 -25.399 15.133 16.102 1.00 87.25 O +ATOM 4202 N LEU A 526 -23.971 18.470 16.301 1.00 90.19 N +ATOM 4203 CA LEU A 526 -23.011 19.071 17.215 1.00 90.19 C +ATOM 4204 C LEU A 526 -23.494 18.834 18.643 1.00 90.19 C +ATOM 4205 CB LEU A 526 -22.911 20.578 16.913 1.00 90.19 C +ATOM 4206 O LEU A 526 -24.573 19.296 19.011 1.00 90.19 O +ATOM 4207 CG LEU A 526 -22.631 20.944 15.442 1.00 90.19 C +ATOM 4208 CD1 LEU A 526 -22.855 22.442 15.235 1.00 90.19 C +ATOM 4209 CD2 LEU A 526 -21.208 20.554 15.059 1.00 90.19 C +ATOM 4210 N ARG A 527 -22.715 18.139 19.470 1.00 93.94 N +ATOM 4211 CA ARG A 527 -23.012 17.947 20.897 1.00 93.94 C +ATOM 4212 C ARG A 527 -21.931 18.610 21.732 1.00 93.94 C +ATOM 4213 CB ARG A 527 -23.138 16.448 21.199 1.00 93.94 C +ATOM 4214 O ARG A 527 -20.793 18.161 21.720 1.00 93.94 O +ATOM 4215 CG ARG A 527 -23.580 16.199 22.648 1.00 93.94 C +ATOM 4216 CD ARG A 527 -23.574 14.699 22.958 1.00 93.94 C +ATOM 4217 NE ARG A 527 -24.171 14.419 24.276 1.00 93.94 N +ATOM 4218 NH1 ARG A 527 -22.320 14.720 25.637 1.00 93.94 N +ATOM 4219 NH2 ARG A 527 -24.274 14.206 26.519 1.00 93.94 N +ATOM 4220 CZ ARG A 527 -23.577 14.449 25.456 1.00 93.94 C +ATOM 4221 N THR A 528 -22.296 19.638 22.491 1.00 95.50 N +ATOM 4222 CA THR A 528 -21.396 20.351 23.406 1.00 95.50 C +ATOM 4223 C THR A 528 -21.836 20.103 24.841 1.00 95.50 C +ATOM 4224 CB THR A 528 -21.382 21.852 23.095 1.00 95.50 C +ATOM 4225 O THR A 528 -22.951 20.461 25.212 1.00 95.50 O +ATOM 4226 CG2 THR A 528 -20.343 22.606 23.922 1.00 95.50 C +ATOM 4227 OG1 THR A 528 -21.039 22.053 21.744 1.00 95.50 O +ATOM 4228 N ALA A 529 -20.977 19.491 25.650 1.00 96.31 N +ATOM 4229 CA ALA A 529 -21.226 19.199 27.057 1.00 96.31 C +ATOM 4230 C ALA A 529 -20.227 19.934 27.957 1.00 96.31 C +ATOM 4231 CB ALA A 529 -21.189 17.682 27.263 1.00 96.31 C +ATOM 4232 O ALA A 529 -19.035 19.987 27.658 1.00 96.31 O +ATOM 4233 N LEU A 530 -20.724 20.477 29.065 1.00 97.25 N +ATOM 4234 CA LEU A 530 -19.943 21.055 30.150 1.00 97.25 C +ATOM 4235 C LEU A 530 -19.845 20.029 31.279 1.00 97.25 C +ATOM 4236 CB LEU A 530 -20.616 22.355 30.618 1.00 97.25 C +ATOM 4237 O LEU A 530 -20.864 19.539 31.768 1.00 97.25 O +ATOM 4238 CG LEU A 530 -19.842 23.120 31.706 1.00 97.25 C +ATOM 4239 CD1 LEU A 530 -18.501 23.645 31.189 1.00 97.25 C +ATOM 4240 CD2 LEU A 530 -20.678 24.316 32.165 1.00 97.25 C +ATOM 4241 N ILE A 531 -18.618 19.722 31.679 1.00 96.25 N +ATOM 4242 CA ILE A 531 -18.289 18.686 32.654 1.00 96.25 C +ATOM 4243 C ILE A 531 -17.556 19.338 33.824 1.00 96.25 C +ATOM 4244 CB ILE A 531 -17.471 17.559 31.989 1.00 96.25 C +ATOM 4245 O ILE A 531 -16.605 20.100 33.617 1.00 96.25 O +ATOM 4246 CG1 ILE A 531 -18.227 16.988 30.765 1.00 96.25 C +ATOM 4247 CG2 ILE A 531 -17.175 16.441 32.999 1.00 96.25 C +ATOM 4248 CD1 ILE A 531 -17.467 15.885 30.030 1.00 96.25 C +ATOM 4249 N ASN A 532 -18.004 19.058 35.045 1.00 93.94 N +ATOM 4250 CA ASN A 532 -17.384 19.584 36.258 1.00 93.94 C +ATOM 4251 C ASN A 532 -16.067 18.847 36.598 1.00 93.94 C +ATOM 4252 CB ASN A 532 -18.434 19.587 37.393 1.00 93.94 C +ATOM 4253 O ASN A 532 -15.623 17.941 35.892 1.00 93.94 O +ATOM 4254 CG ASN A 532 -18.826 18.198 37.867 1.00 93.94 C +ATOM 4255 ND2 ASN A 532 -19.801 18.099 38.742 1.00 93.94 N +ATOM 4256 OD1 ASN A 532 -18.221 17.219 37.468 1.00 93.94 O +ATOM 4257 N SER A 533 -15.415 19.230 37.696 1.00 90.62 N +ATOM 4258 CA SER A 533 -14.154 18.615 38.136 1.00 90.62 C +ATOM 4259 C SER A 533 -14.284 17.161 38.613 1.00 90.62 C +ATOM 4260 CB SER A 533 -13.531 19.469 39.242 1.00 90.62 C +ATOM 4261 O SER A 533 -13.264 16.481 38.692 1.00 90.62 O +ATOM 4262 OG SER A 533 -14.465 19.699 40.282 1.00 90.62 O +ATOM 4263 N THR A 534 -15.493 16.686 38.940 1.00 89.69 N +ATOM 4264 CA THR A 534 -15.755 15.288 39.335 1.00 89.69 C +ATOM 4265 C THR A 534 -16.039 14.382 38.135 1.00 89.69 C +ATOM 4266 CB THR A 534 -16.898 15.180 40.362 1.00 89.69 C +ATOM 4267 O THR A 534 -16.045 13.164 38.282 1.00 89.69 O +ATOM 4268 CG2 THR A 534 -16.570 15.932 41.652 1.00 89.69 C +ATOM 4269 OG1 THR A 534 -18.074 15.757 39.863 1.00 89.69 O +ATOM 4270 N GLY A 535 -16.205 14.953 36.936 1.00 89.50 N +ATOM 4271 CA GLY A 535 -16.486 14.212 35.706 1.00 89.50 C +ATOM 4272 C GLY A 535 -17.972 14.125 35.348 1.00 89.50 C +ATOM 4273 O GLY A 535 -18.316 13.470 34.365 1.00 89.50 O +ATOM 4274 N GLU A 536 -18.850 14.801 36.087 1.00 92.31 N +ATOM 4275 CA GLU A 536 -20.292 14.820 35.841 1.00 92.31 C +ATOM 4276 C GLU A 536 -20.670 15.874 34.790 1.00 92.31 C +ATOM 4277 CB GLU A 536 -21.061 15.089 37.137 1.00 92.31 C +ATOM 4278 O GLU A 536 -20.172 17.005 34.791 1.00 92.31 O +ATOM 4279 CG GLU A 536 -20.792 14.058 38.247 1.00 92.31 C +ATOM 4280 CD GLU A 536 -21.310 14.522 39.615 1.00 92.31 C +ATOM 4281 OE1 GLU A 536 -21.542 13.643 40.469 1.00 92.31 O +ATOM 4282 OE2 GLU A 536 -21.367 15.757 39.831 1.00 92.31 O +ATOM 4283 N GLU A 537 -21.592 15.515 33.893 1.00 94.88 N +ATOM 4284 CA GLU A 537 -22.158 16.430 32.898 1.00 94.88 C +ATOM 4285 C GLU A 537 -23.186 17.359 33.554 1.00 94.88 C +ATOM 4286 CB GLU A 537 -22.762 15.629 31.729 1.00 94.88 C +ATOM 4287 O GLU A 537 -24.308 16.959 33.859 1.00 94.88 O +ATOM 4288 CG GLU A 537 -23.351 16.523 30.621 1.00 94.88 C +ATOM 4289 CD GLU A 537 -23.877 15.699 29.431 1.00 94.88 C +ATOM 4290 OE1 GLU A 537 -25.061 15.833 29.020 1.00 94.88 O +ATOM 4291 OE2 GLU A 537 -23.100 14.923 28.830 1.00 94.88 O +ATOM 4292 N VAL A 538 -22.817 18.626 33.732 1.00 95.25 N +ATOM 4293 CA VAL A 538 -23.663 19.635 34.388 1.00 95.25 C +ATOM 4294 C VAL A 538 -24.484 20.461 33.404 1.00 95.25 C +ATOM 4295 CB VAL A 538 -22.834 20.554 35.295 1.00 95.25 C +ATOM 4296 O VAL A 538 -25.504 21.031 33.784 1.00 95.25 O +ATOM 4297 CG1 VAL A 538 -22.259 19.784 36.487 1.00 95.25 C +ATOM 4298 CG2 VAL A 538 -21.684 21.235 34.546 1.00 95.25 C +ATOM 4299 N ALA A 539 -24.082 20.533 32.136 1.00 95.69 N +ATOM 4300 CA ALA A 539 -24.886 21.139 31.080 1.00 95.69 C +ATOM 4301 C ALA A 539 -24.563 20.528 29.722 1.00 95.69 C +ATOM 4302 CB ALA A 539 -24.692 22.660 31.064 1.00 95.69 C +ATOM 4303 O ALA A 539 -23.448 20.073 29.480 1.00 95.69 O +ATOM 4304 N MET A 540 -25.531 20.541 28.813 1.00 95.19 N +ATOM 4305 CA MET A 540 -25.346 20.027 27.464 1.00 95.19 C +ATOM 4306 C MET A 540 -26.249 20.749 26.481 1.00 95.19 C +ATOM 4307 CB MET A 540 -25.575 18.513 27.479 1.00 95.19 C +ATOM 4308 O MET A 540 -27.395 21.067 26.798 1.00 95.19 O +ATOM 4309 CG MET A 540 -25.156 17.776 26.202 1.00 95.19 C +ATOM 4310 SD MET A 540 -26.378 17.652 24.864 1.00 95.19 S +ATOM 4311 CE MET A 540 -27.623 16.570 25.604 1.00 95.19 C +ATOM 4312 N ARG A 541 -25.721 20.997 25.285 1.00 94.44 N +ATOM 4313 CA ARG A 541 -26.447 21.562 24.154 1.00 94.44 C +ATOM 4314 C ARG A 541 -26.148 20.745 22.904 1.00 94.44 C +ATOM 4315 CB ARG A 541 -26.080 23.044 24.007 1.00 94.44 C +ATOM 4316 O ARG A 541 -24.983 20.542 22.561 1.00 94.44 O +ATOM 4317 CG ARG A 541 -27.121 23.812 23.189 1.00 94.44 C +ATOM 4318 CD ARG A 541 -26.778 25.307 23.162 1.00 94.44 C +ATOM 4319 NE ARG A 541 -27.935 26.123 22.761 1.00 94.44 N +ATOM 4320 NH1 ARG A 541 -28.773 26.617 24.840 1.00 94.44 N +ATOM 4321 NH2 ARG A 541 -29.810 27.405 23.068 1.00 94.44 N +ATOM 4322 CZ ARG A 541 -28.824 26.706 23.546 1.00 94.44 C +ATOM 4323 N LYS A 542 -27.198 20.276 22.236 1.00 93.12 N +ATOM 4324 CA LYS A 542 -27.131 19.530 20.981 1.00 93.12 C +ATOM 4325 C LYS A 542 -27.811 20.330 19.874 1.00 93.12 C +ATOM 4326 CB LYS A 542 -27.725 18.125 21.169 1.00 93.12 C +ATOM 4327 O LYS A 542 -28.932 20.792 20.069 1.00 93.12 O +ATOM 4328 CG LYS A 542 -27.419 17.218 19.968 1.00 93.12 C +ATOM 4329 CD LYS A 542 -27.970 15.799 20.165 1.00 93.12 C +ATOM 4330 CE LYS A 542 -27.639 14.960 18.921 1.00 93.12 C +ATOM 4331 NZ LYS A 542 -28.197 13.584 18.985 1.00 93.12 N +ATOM 4332 N LEU A 543 -27.127 20.502 18.749 1.00 90.31 N +ATOM 4333 CA LEU A 543 -27.628 21.142 17.534 1.00 90.31 C +ATOM 4334 C LEU A 543 -27.642 20.091 16.420 1.00 90.31 C +ATOM 4335 CB LEU A 543 -26.732 22.339 17.156 1.00 90.31 C +ATOM 4336 O LEU A 543 -26.606 19.484 16.152 1.00 90.31 O +ATOM 4337 CG LEU A 543 -27.050 23.681 17.832 1.00 90.31 C +ATOM 4338 CD1 LEU A 543 -26.691 23.674 19.321 1.00 90.31 C +ATOM 4339 CD2 LEU A 543 -26.241 24.792 17.163 1.00 90.31 C +ATOM 4340 N VAL A 544 -28.793 19.872 15.786 1.00 88.00 N +ATOM 4341 CA VAL A 544 -28.935 18.961 14.639 1.00 88.00 C +ATOM 4342 C VAL A 544 -29.467 19.737 13.437 1.00 88.00 C +ATOM 4343 CB VAL A 544 -29.828 17.750 14.970 1.00 88.00 C +ATOM 4344 O VAL A 544 -30.560 20.298 13.511 1.00 88.00 O +ATOM 4345 CG1 VAL A 544 -29.888 16.770 13.794 1.00 88.00 C +ATOM 4346 CG2 VAL A 544 -29.313 16.987 16.201 1.00 88.00 C +ATOM 4347 N ARG A 545 -28.685 19.783 12.353 1.00 83.12 N +ATOM 4348 CA ARG A 545 -29.016 20.477 11.104 1.00 83.12 C +ATOM 4349 C ARG A 545 -29.982 19.627 10.283 1.00 83.12 C +ATOM 4350 CB ARG A 545 -27.733 20.786 10.306 1.00 83.12 C +ATOM 4351 O ARG A 545 -29.636 18.518 9.882 1.00 83.12 O +ATOM 4352 CG ARG A 545 -27.987 21.731 9.120 1.00 83.12 C +ATOM 4353 CD ARG A 545 -26.685 22.126 8.403 1.00 83.12 C +ATOM 4354 NE ARG A 545 -26.016 23.282 9.036 1.00 83.12 N +ATOM 4355 NH1 ARG A 545 -23.928 22.993 8.139 1.00 83.12 N +ATOM 4356 NH2 ARG A 545 -24.345 24.820 9.351 1.00 83.12 N +ATOM 4357 CZ ARG A 545 -24.773 23.694 8.844 1.00 83.12 C +ATOM 4358 N SER A 546 -31.154 20.171 9.995 1.00 77.31 N +ATOM 4359 CA SER A 546 -32.114 19.653 9.023 1.00 77.31 C +ATOM 4360 C SER A 546 -32.099 20.536 7.777 1.00 77.31 C +ATOM 4361 CB SER A 546 -33.521 19.569 9.631 1.00 77.31 C +ATOM 4362 O SER A 546 -32.192 21.758 7.872 1.00 77.31 O +ATOM 4363 OG SER A 546 -33.847 20.703 10.415 1.00 77.31 O +ATOM 4364 N VAL A 547 -31.968 19.926 6.600 1.00 70.38 N +ATOM 4365 CA VAL A 547 -32.097 20.617 5.311 1.00 70.38 C +ATOM 4366 C VAL A 547 -33.480 20.290 4.770 1.00 70.38 C +ATOM 4367 CB VAL A 547 -30.975 20.211 4.333 1.00 70.38 C +ATOM 4368 O VAL A 547 -33.727 19.155 4.372 1.00 70.38 O +ATOM 4369 CG1 VAL A 547 -31.111 20.948 2.995 1.00 70.38 C +ATOM 4370 CG2 VAL A 547 -29.592 20.543 4.915 1.00 70.38 C +ATOM 4371 N THR A 548 -34.388 21.261 4.805 1.00 62.44 N +ATOM 4372 CA THR A 548 -35.697 21.153 4.154 1.00 62.44 C +ATOM 4373 C THR A 548 -35.552 21.635 2.719 1.00 62.44 C +ATOM 4374 CB THR A 548 -36.771 21.963 4.897 1.00 62.44 C +ATOM 4375 O THR A 548 -35.232 22.802 2.490 1.00 62.44 O +ATOM 4376 CG2 THR A 548 -37.185 21.266 6.194 1.00 62.44 C +ATOM 4377 OG1 THR A 548 -36.272 23.236 5.244 1.00 62.44 O +ATOM 4378 N VAL A 549 -35.744 20.727 1.766 1.00 58.25 N +ATOM 4379 CA VAL A 549 -35.912 21.069 0.353 1.00 58.25 C +ATOM 4380 C VAL A 549 -37.374 21.473 0.206 1.00 58.25 C +ATOM 4381 CB VAL A 549 -35.541 19.877 -0.555 1.00 58.25 C +ATOM 4382 O VAL A 549 -38.250 20.662 0.489 1.00 58.25 O +ATOM 4383 CG1 VAL A 549 -35.646 20.246 -2.037 1.00 58.25 C +ATOM 4384 CG2 VAL A 549 -34.096 19.418 -0.287 1.00 58.25 C +ATOM 4385 N VAL A 550 -37.628 22.742 -0.106 1.00 54.28 N +ATOM 4386 CA VAL A 550 -38.972 23.192 -0.480 1.00 54.28 C +ATOM 4387 C VAL A 550 -39.149 22.742 -1.923 1.00 54.28 C +ATOM 4388 CB VAL A 550 -39.144 24.715 -0.308 1.00 54.28 C +ATOM 4389 O VAL A 550 -38.432 23.218 -2.801 1.00 54.28 O +ATOM 4390 CG1 VAL A 550 -40.586 25.147 -0.593 1.00 54.28 C +ATOM 4391 CG2 VAL A 550 -38.799 25.156 1.126 1.00 54.28 C +ATOM 4392 N GLU A 551 -39.985 21.733 -2.126 1.00 51.34 N +ATOM 4393 CA GLU A 551 -40.477 21.359 -3.447 1.00 51.34 C +ATOM 4394 C GLU A 551 -41.705 22.249 -3.691 1.00 51.34 C +ATOM 4395 CB GLU A 551 -40.720 19.828 -3.519 1.00 51.34 C +ATOM 4396 O GLU A 551 -42.602 22.310 -2.848 1.00 51.34 O +ATOM 4397 CG GLU A 551 -39.376 19.067 -3.404 1.00 51.34 C +ATOM 4398 CD GLU A 551 -39.422 17.523 -3.474 1.00 51.34 C +ATOM 4399 OE1 GLU A 551 -38.330 16.936 -3.703 1.00 51.34 O +ATOM 4400 OE2 GLU A 551 -40.469 16.901 -3.205 1.00 51.34 O +ATOM 4401 N ASP A 552 -41.659 23.056 -4.755 1.00 44.75 N +ATOM 4402 CA ASP A 552 -42.756 23.932 -5.171 1.00 44.75 C +ATOM 4403 C ASP A 552 -43.889 23.053 -5.726 1.00 44.75 C +ATOM 4404 CB ASP A 552 -42.272 24.959 -6.223 1.00 44.75 C +ATOM 4405 O ASP A 552 -43.959 22.805 -6.929 1.00 44.75 O +ATOM 4406 CG ASP A 552 -41.285 26.015 -5.704 1.00 44.75 C +ATOM 4407 OD1 ASP A 552 -41.508 26.569 -4.602 1.00 44.75 O +ATOM 4408 OD2 ASP A 552 -40.287 26.282 -6.421 1.00 44.75 O +ATOM 4409 N ASP A 553 -44.739 22.536 -4.841 1.00 46.59 N +ATOM 4410 CA ASP A 553 -45.983 21.872 -5.224 1.00 46.59 C +ATOM 4411 C ASP A 553 -47.079 22.942 -5.356 1.00 46.59 C +ATOM 4412 CB ASP A 553 -46.328 20.729 -4.253 1.00 46.59 C +ATOM 4413 O ASP A 553 -47.695 23.383 -4.382 1.00 46.59 O +ATOM 4414 CG ASP A 553 -45.382 19.517 -4.355 1.00 46.59 C +ATOM 4415 OD1 ASP A 553 -44.942 19.172 -5.478 1.00 46.59 O +ATOM 4416 OD2 ASP A 553 -45.122 18.903 -3.291 1.00 46.59 O +ATOM 4417 N GLU A 554 -47.257 23.413 -6.591 1.00 43.19 N +ATOM 4418 CA GLU A 554 -48.464 24.096 -7.053 1.00 43.19 C +ATOM 4419 C GLU A 554 -49.608 23.073 -7.077 1.00 43.19 C +ATOM 4420 CB GLU A 554 -48.249 24.650 -8.486 1.00 43.19 C +ATOM 4421 O GLU A 554 -49.648 22.246 -7.978 1.00 43.19 O +ATOM 4422 CG GLU A 554 -47.209 25.777 -8.610 1.00 43.19 C +ATOM 4423 CD GLU A 554 -47.002 26.287 -10.058 1.00 43.19 C +ATOM 4424 OE1 GLU A 554 -46.453 27.408 -10.204 1.00 43.19 O +ATOM 4425 OE2 GLU A 554 -47.343 25.577 -11.033 1.00 43.19 O +ATOM 4426 N ASP A 555 -50.536 23.121 -6.119 1.00 43.28 N +ATOM 4427 CA ASP A 555 -51.851 22.490 -6.274 1.00 43.28 C +ATOM 4428 C ASP A 555 -52.935 23.343 -5.590 1.00 43.28 C +ATOM 4429 CB ASP A 555 -51.858 21.023 -5.810 1.00 43.28 C +ATOM 4430 O ASP A 555 -52.880 23.657 -4.398 1.00 43.28 O +ATOM 4431 CG ASP A 555 -51.384 20.021 -6.882 1.00 43.28 C +ATOM 4432 OD1 ASP A 555 -51.824 20.140 -8.050 1.00 43.28 O +ATOM 4433 OD2 ASP A 555 -50.724 19.027 -6.491 1.00 43.28 O +ATOM 4434 N GLU A 556 -53.883 23.756 -6.428 1.00 42.28 N +ATOM 4435 CA GLU A 556 -54.939 24.748 -6.240 1.00 42.28 C +ATOM 4436 C GLU A 556 -56.054 24.316 -5.264 1.00 42.28 C +ATOM 4437 CB GLU A 556 -55.559 25.043 -7.628 1.00 42.28 C +ATOM 4438 O GLU A 556 -56.587 23.209 -5.327 1.00 42.28 O +ATOM 4439 CG GLU A 556 -54.631 25.790 -8.607 1.00 42.28 C +ATOM 4440 CD GLU A 556 -55.154 25.813 -10.061 1.00 42.28 C +ATOM 4441 OE1 GLU A 556 -55.136 26.899 -10.691 1.00 42.28 O +ATOM 4442 OE2 GLU A 556 -55.539 24.737 -10.577 1.00 42.28 O +ATOM 4443 N ASP A 557 -56.402 25.256 -4.382 1.00 39.25 N +ATOM 4444 CA ASP A 557 -57.733 25.726 -3.964 1.00 39.25 C +ATOM 4445 C ASP A 557 -58.956 24.777 -3.992 1.00 39.25 C +ATOM 4446 CB ASP A 557 -58.034 27.026 -4.734 1.00 39.25 C +ATOM 4447 O ASP A 557 -59.432 24.316 -5.030 1.00 39.25 O +ATOM 4448 CG ASP A 557 -56.956 28.099 -4.517 1.00 39.25 C +ATOM 4449 OD1 ASP A 557 -56.514 28.254 -3.355 1.00 39.25 O +ATOM 4450 OD2 ASP A 557 -56.563 28.755 -5.507 1.00 39.25 O +ATOM 4451 N GLY A 558 -59.585 24.627 -2.818 1.00 37.44 N +ATOM 4452 CA GLY A 558 -60.905 24.014 -2.638 1.00 37.44 C +ATOM 4453 C GLY A 558 -61.509 24.339 -1.266 1.00 37.44 C +ATOM 4454 O GLY A 558 -61.258 23.636 -0.291 1.00 37.44 O +ATOM 4455 N ASP A 559 -62.265 25.434 -1.241 1.00 33.97 N +ATOM 4456 CA ASP A 559 -62.894 26.168 -0.133 1.00 33.97 C +ATOM 4457 C ASP A 559 -64.029 25.469 0.665 1.00 33.97 C +ATOM 4458 CB ASP A 559 -63.454 27.465 -0.775 1.00 33.97 C +ATOM 4459 O ASP A 559 -64.531 24.408 0.299 1.00 33.97 O +ATOM 4460 CG ASP A 559 -62.476 28.637 -0.748 1.00 33.97 C +ATOM 4461 OD1 ASP A 559 -61.960 28.918 0.360 1.00 33.97 O +ATOM 4462 OD2 ASP A 559 -62.300 29.275 -1.810 1.00 33.97 O +ATOM 4463 N ASP A 560 -64.463 26.199 1.714 1.00 35.16 N +ATOM 4464 CA ASP A 560 -65.732 26.167 2.485 1.00 35.16 C +ATOM 4465 C ASP A 560 -65.766 25.295 3.764 1.00 35.16 C +ATOM 4466 CB ASP A 560 -66.956 25.984 1.568 1.00 35.16 C +ATOM 4467 O ASP A 560 -65.808 24.071 3.718 1.00 35.16 O +ATOM 4468 CG ASP A 560 -67.151 27.144 0.581 1.00 35.16 C +ATOM 4469 OD1 ASP A 560 -66.853 28.295 0.982 1.00 35.16 O +ATOM 4470 OD2 ASP A 560 -67.722 26.901 -0.507 1.00 35.16 O +ATOM 4471 N LEU A 561 -65.643 25.806 5.004 1.00 33.59 N +ATOM 4472 CA LEU A 561 -66.286 26.909 5.762 1.00 33.59 C +ATOM 4473 C LEU A 561 -67.721 26.614 6.276 1.00 33.59 C +ATOM 4474 CB LEU A 561 -66.148 28.314 5.124 1.00 33.59 C +ATOM 4475 O LEU A 561 -68.587 26.184 5.529 1.00 33.59 O +ATOM 4476 CG LEU A 561 -66.224 29.489 6.130 1.00 33.59 C +ATOM 4477 CD1 LEU A 561 -64.927 29.659 6.924 1.00 33.59 C +ATOM 4478 CD2 LEU A 561 -66.536 30.811 5.431 1.00 33.59 C +ATOM 4479 N LEU A 562 -67.935 26.989 7.558 1.00 33.34 N +ATOM 4480 CA LEU A 562 -69.182 27.248 8.332 1.00 33.34 C +ATOM 4481 C LEU A 562 -69.554 26.179 9.389 1.00 33.34 C +ATOM 4482 CB LEU A 562 -70.369 27.661 7.437 1.00 33.34 C +ATOM 4483 O LEU A 562 -69.944 25.066 9.074 1.00 33.34 O +ATOM 4484 CG LEU A 562 -70.140 28.998 6.699 1.00 33.34 C +ATOM 4485 CD1 LEU A 562 -70.794 29.021 5.325 1.00 33.34 C +ATOM 4486 CD2 LEU A 562 -70.675 30.171 7.525 1.00 33.34 C +ATOM 4487 N HIS A 563 -69.281 26.402 10.687 1.00 32.53 N +ATOM 4488 CA HIS A 563 -70.086 27.156 11.681 1.00 32.53 C +ATOM 4489 C HIS A 563 -71.528 26.647 11.885 1.00 32.53 C +ATOM 4490 CB HIS A 563 -70.103 28.689 11.466 1.00 32.53 C +ATOM 4491 O HIS A 563 -72.355 26.812 11.000 1.00 32.53 O +ATOM 4492 CG HIS A 563 -68.999 29.454 12.153 1.00 32.53 C +ATOM 4493 CD2 HIS A 563 -69.134 30.646 12.814 1.00 32.53 C +ATOM 4494 ND1 HIS A 563 -67.679 29.081 12.263 1.00 32.53 N +ATOM 4495 CE1 HIS A 563 -67.039 30.021 12.980 1.00 32.53 C +ATOM 4496 NE2 HIS A 563 -67.891 30.989 13.350 1.00 32.53 N +ATOM 4497 N HIS A 564 -71.868 26.205 13.111 1.00 33.78 N +ATOM 4498 CA HIS A 564 -72.838 26.938 13.944 1.00 33.78 C +ATOM 4499 C HIS A 564 -73.005 26.424 15.391 1.00 33.78 C +ATOM 4500 CB HIS A 564 -74.226 27.091 13.289 1.00 33.78 C +ATOM 4501 O HIS A 564 -73.151 25.239 15.671 1.00 33.78 O +ATOM 4502 CG HIS A 564 -74.421 28.433 12.614 1.00 33.78 C +ATOM 4503 CD2 HIS A 564 -75.183 28.680 11.504 1.00 33.78 C +ATOM 4504 ND1 HIS A 564 -73.898 29.649 13.011 1.00 33.78 N +ATOM 4505 CE1 HIS A 564 -74.325 30.592 12.158 1.00 33.78 C +ATOM 4506 NE2 HIS A 564 -75.125 30.052 11.233 1.00 33.78 N +ATOM 4507 N HIS A 565 -73.021 27.414 16.286 1.00 30.08 N +ATOM 4508 CA HIS A 565 -73.521 27.454 17.660 1.00 30.08 C +ATOM 4509 C HIS A 565 -75.033 27.179 17.771 1.00 30.08 C +ATOM 4510 CB HIS A 565 -73.334 28.919 18.123 1.00 30.08 C +ATOM 4511 O HIS A 565 -75.768 27.619 16.901 1.00 30.08 O +ATOM 4512 CG HIS A 565 -72.121 29.198 18.958 1.00 30.08 C +ATOM 4513 CD2 HIS A 565 -70.929 29.737 18.553 1.00 30.08 C +ATOM 4514 ND1 HIS A 565 -72.083 29.103 20.328 1.00 30.08 N +ATOM 4515 CE1 HIS A 565 -70.894 29.563 20.743 1.00 30.08 C +ATOM 4516 NE2 HIS A 565 -70.157 29.959 19.697 1.00 30.08 N +ATOM 4517 N HIS A 566 -75.478 26.614 18.905 1.00 34.00 N +ATOM 4518 CA HIS A 566 -76.682 26.957 19.708 1.00 34.00 C +ATOM 4519 C HIS A 566 -76.628 26.054 20.971 1.00 34.00 C +ATOM 4520 CB HIS A 566 -77.986 26.758 18.899 1.00 34.00 C +ATOM 4521 O HIS A 566 -76.459 24.851 20.832 1.00 34.00 O +ATOM 4522 CG HIS A 566 -78.492 28.029 18.239 1.00 34.00 C +ATOM 4523 CD2 HIS A 566 -78.496 28.343 16.902 1.00 34.00 C +ATOM 4524 ND1 HIS A 566 -79.053 29.104 18.894 1.00 34.00 N +ATOM 4525 CE1 HIS A 566 -79.363 30.041 17.982 1.00 34.00 C +ATOM 4526 NE2 HIS A 566 -79.037 29.625 16.754 1.00 34.00 N +ATOM 4527 N GLY A 567 -76.484 26.538 22.218 1.00 26.42 N +ATOM 4528 CA GLY A 567 -77.472 27.243 23.063 1.00 26.42 C +ATOM 4529 C GLY A 567 -78.514 26.245 23.614 1.00 26.42 C +ATOM 4530 O GLY A 567 -79.002 25.440 22.841 1.00 26.42 O +ATOM 4531 N SER A 568 -78.984 26.198 24.864 1.00 28.27 N +ATOM 4532 CA SER A 568 -78.737 26.856 26.153 1.00 28.27 C +ATOM 4533 C SER A 568 -79.707 26.199 27.180 1.00 28.27 C +ATOM 4534 CB SER A 568 -79.082 28.346 26.050 1.00 28.27 C +ATOM 4535 O SER A 568 -80.783 25.773 26.771 1.00 28.27 O +ATOM 4536 OG SER A 568 -78.663 28.998 27.227 1.00 28.27 O +ATOM 4537 N HIS A 569 -79.382 26.226 28.487 1.00 27.25 N +ATOM 4538 CA HIS A 569 -80.242 25.935 29.674 1.00 27.25 C +ATOM 4539 C HIS A 569 -80.645 24.456 29.927 1.00 27.25 C +ATOM 4540 CB HIS A 569 -81.456 26.885 29.676 1.00 27.25 C +ATOM 4541 O HIS A 569 -80.811 23.692 28.994 1.00 27.25 O +ATOM 4542 CG HIS A 569 -81.109 28.327 29.380 1.00 27.25 C +ATOM 4543 CD2 HIS A 569 -81.425 29.027 28.246 1.00 27.25 C +ATOM 4544 ND1 HIS A 569 -80.377 29.170 30.185 1.00 27.25 N +ATOM 4545 CE1 HIS A 569 -80.246 30.347 29.553 1.00 27.25 C +ATOM 4546 NE2 HIS A 569 -80.844 30.299 28.352 1.00 27.25 N +ATOM 4547 N CYS A 570 -80.821 23.931 31.147 1.00 28.12 N +ATOM 4548 CA CYS A 570 -81.042 24.505 32.475 1.00 28.12 C +ATOM 4549 C CYS A 570 -80.421 23.635 33.590 1.00 28.12 C +ATOM 4550 CB CYS A 570 -82.559 24.611 32.730 1.00 28.12 C +ATOM 4551 O CYS A 570 -80.207 22.435 33.440 1.00 28.12 O +ATOM 4552 SG CYS A 570 -83.329 22.963 32.859 1.00 28.12 S +ATOM 4553 N SER A 571 -80.200 24.283 34.726 1.00 28.19 N +ATOM 4554 CA SER A 571 -79.566 23.816 35.954 1.00 28.19 C +ATOM 4555 C SER A 571 -80.401 22.818 36.775 1.00 28.19 C +ATOM 4556 CB SER A 571 -79.353 25.067 36.821 1.00 28.19 C +ATOM 4557 O SER A 571 -81.582 23.061 37.015 1.00 28.19 O +ATOM 4558 OG SER A 571 -78.910 26.181 36.053 1.00 28.19 O +ATOM 4559 N SER A 572 -79.756 21.790 37.340 1.00 32.91 N +ATOM 4560 CA SER A 572 -80.210 21.115 38.567 1.00 32.91 C +ATOM 4561 C SER A 572 -79.053 20.952 39.559 1.00 32.91 C +ATOM 4562 CB SER A 572 -80.924 19.783 38.311 1.00 32.91 C +ATOM 4563 O SER A 572 -77.917 20.690 39.182 1.00 32.91 O +ATOM 4564 OG SER A 572 -80.025 18.732 38.025 1.00 32.91 O +ATOM 4565 N SER A 573 -79.395 21.154 40.822 1.00 31.41 N +ATOM 4566 CA SER A 573 -78.610 21.419 42.031 1.00 31.41 C +ATOM 4567 C SER A 573 -77.919 20.224 42.719 1.00 31.41 C +ATOM 4568 CB SER A 573 -79.651 21.958 43.024 1.00 31.41 C +ATOM 4569 O SER A 573 -78.525 19.159 42.802 1.00 31.41 O +ATOM 4570 OG SER A 573 -80.775 21.082 43.052 1.00 31.41 O +ATOM 4571 N GLY A 574 -76.775 20.513 43.372 1.00 30.03 N +ATOM 4572 CA GLY A 574 -76.241 19.895 44.613 1.00 30.03 C +ATOM 4573 C GLY A 574 -75.301 18.689 44.452 1.00 30.03 C +ATOM 4574 O GLY A 574 -75.614 17.772 43.709 1.00 30.03 O +ATOM 4575 N ASP A 575 -74.168 18.537 45.145 1.00 34.69 N +ATOM 4576 CA ASP A 575 -73.290 19.391 45.971 1.00 34.69 C +ATOM 4577 C ASP A 575 -71.928 18.624 46.093 1.00 34.69 C +ATOM 4578 CB ASP A 575 -73.927 19.667 47.359 1.00 34.69 C +ATOM 4579 O ASP A 575 -71.871 17.442 45.735 1.00 34.69 O +ATOM 4580 CG ASP A 575 -73.852 21.129 47.841 1.00 34.69 C +ATOM 4581 OD1 ASP A 575 -73.463 22.013 47.045 1.00 34.69 O +ATOM 4582 OD2 ASP A 575 -74.228 21.362 49.008 1.00 34.69 O +ATOM 4583 N PRO A 576 -70.812 19.238 46.535 1.00 46.00 N +ATOM 4584 CA PRO A 576 -69.447 18.825 46.197 1.00 46.00 C +ATOM 4585 C PRO A 576 -68.748 17.982 47.277 1.00 46.00 C +ATOM 4586 CB PRO A 576 -68.709 20.155 46.010 1.00 46.00 C +ATOM 4587 O PRO A 576 -68.859 18.253 48.470 1.00 46.00 O +ATOM 4588 CG PRO A 576 -69.326 21.029 47.103 1.00 46.00 C +ATOM 4589 CD PRO A 576 -70.772 20.556 47.139 1.00 46.00 C +ATOM 4590 N ALA A 577 -67.905 17.038 46.854 1.00 33.50 N +ATOM 4591 CA ALA A 577 -66.801 16.516 47.664 1.00 33.50 C +ATOM 4592 C ALA A 577 -65.735 15.896 46.746 1.00 33.50 C +ATOM 4593 CB ALA A 577 -67.318 15.525 48.719 1.00 33.50 C +ATOM 4594 O ALA A 577 -65.620 14.679 46.611 1.00 33.50 O +ATOM 4595 N GLU A 578 -64.962 16.748 46.070 1.00 36.22 N +ATOM 4596 CA GLU A 578 -63.765 16.315 45.353 1.00 36.22 C +ATOM 4597 C GLU A 578 -62.711 15.830 46.356 1.00 36.22 C +ATOM 4598 CB GLU A 578 -63.213 17.427 44.454 1.00 36.22 C +ATOM 4599 O GLU A 578 -62.151 16.586 47.156 1.00 36.22 O +ATOM 4600 CG GLU A 578 -64.031 17.573 43.161 1.00 36.22 C +ATOM 4601 CD GLU A 578 -63.444 18.626 42.207 1.00 36.22 C +ATOM 4602 OE1 GLU A 578 -63.757 18.540 41.000 1.00 36.22 O +ATOM 4603 OE2 GLU A 578 -62.691 19.504 42.689 1.00 36.22 O +ATOM 4604 N TYR A 579 -62.461 14.525 46.314 1.00 36.41 N +ATOM 4605 CA TYR A 579 -61.424 13.843 47.069 1.00 36.41 C +ATOM 4606 C TYR A 579 -60.042 14.336 46.626 1.00 36.41 C +ATOM 4607 CB TYR A 579 -61.585 12.328 46.885 1.00 36.41 C +ATOM 4608 O TYR A 579 -59.514 13.960 45.581 1.00 36.41 O +ATOM 4609 CG TYR A 579 -62.713 11.727 47.703 1.00 36.41 C +ATOM 4610 CD1 TYR A 579 -62.431 11.166 48.964 1.00 36.41 C +ATOM 4611 CD2 TYR A 579 -64.038 11.734 47.221 1.00 36.41 C +ATOM 4612 CE1 TYR A 579 -63.464 10.601 49.737 1.00 36.41 C +ATOM 4613 CE2 TYR A 579 -65.073 11.171 47.992 1.00 36.41 C +ATOM 4614 OH TYR A 579 -65.788 10.055 49.988 1.00 36.41 O +ATOM 4615 CZ TYR A 579 -64.788 10.601 49.248 1.00 36.41 C +ATOM 4616 N ASN A 580 -59.439 15.180 47.459 1.00 34.50 N +ATOM 4617 CA ASN A 580 -58.081 15.679 47.293 1.00 34.50 C +ATOM 4618 C ASN A 580 -57.075 14.544 47.584 1.00 34.50 C +ATOM 4619 CB ASN A 580 -57.945 16.926 48.190 1.00 34.50 C +ATOM 4620 O ASN A 580 -56.704 14.288 48.733 1.00 34.50 O +ATOM 4621 CG ASN A 580 -56.915 17.928 47.703 1.00 34.50 C +ATOM 4622 ND2 ASN A 580 -57.139 19.195 47.964 1.00 34.50 N +ATOM 4623 OD1 ASN A 580 -55.901 17.611 47.105 1.00 34.50 O +ATOM 4624 N LEU A 581 -56.664 13.827 46.535 1.00 39.09 N +ATOM 4625 CA LEU A 581 -55.625 12.794 46.556 1.00 39.09 C +ATOM 4626 C LEU A 581 -54.245 13.426 46.798 1.00 39.09 C +ATOM 4627 CB LEU A 581 -55.667 12.006 45.228 1.00 39.09 C +ATOM 4628 O LEU A 581 -53.451 13.612 45.879 1.00 39.09 O +ATOM 4629 CG LEU A 581 -56.794 10.956 45.154 1.00 39.09 C +ATOM 4630 CD1 LEU A 581 -57.525 11.032 43.816 1.00 39.09 C +ATOM 4631 CD2 LEU A 581 -56.226 9.541 45.311 1.00 39.09 C +ATOM 4632 N ARG A 582 -53.924 13.745 48.056 1.00 34.97 N +ATOM 4633 CA ARG A 582 -52.529 13.951 48.466 1.00 34.97 C +ATOM 4634 C ARG A 582 -51.905 12.605 48.816 1.00 34.97 C +ATOM 4635 CB ARG A 582 -52.403 14.991 49.585 1.00 34.97 C +ATOM 4636 O ARG A 582 -52.303 11.952 49.778 1.00 34.97 O +ATOM 4637 CG ARG A 582 -52.477 16.410 49.003 1.00 34.97 C +ATOM 4638 CD ARG A 582 -52.259 17.454 50.101 1.00 34.97 C +ATOM 4639 NE ARG A 582 -52.193 18.816 49.539 1.00 34.97 N +ATOM 4640 NH1 ARG A 582 -52.127 19.960 51.529 1.00 34.97 N +ATOM 4641 NH2 ARG A 582 -52.044 21.088 49.605 1.00 34.97 N +ATOM 4642 CZ ARG A 582 -52.121 19.944 50.224 1.00 34.97 C +ATOM 4643 N SER A 583 -50.921 12.221 48.010 1.00 42.16 N +ATOM 4644 CA SER A 583 -50.100 11.016 48.103 1.00 42.16 C +ATOM 4645 C SER A 583 -49.598 10.778 49.531 1.00 42.16 C +ATOM 4646 CB SER A 583 -48.909 11.171 47.141 1.00 42.16 C +ATOM 4647 O SER A 583 -48.687 11.456 50.005 1.00 42.16 O +ATOM 4648 OG SER A 583 -49.348 11.704 45.902 1.00 42.16 O +ATOM 4649 N ARG A 584 -50.193 9.813 50.238 1.00 41.50 N +ATOM 4650 CA ARG A 584 -49.662 9.314 51.510 1.00 41.50 C +ATOM 4651 C ARG A 584 -48.587 8.271 51.216 1.00 41.50 C +ATOM 4652 CB ARG A 584 -50.786 8.743 52.394 1.00 41.50 C +ATOM 4653 O ARG A 584 -48.901 7.146 50.840 1.00 41.50 O +ATOM 4654 CG ARG A 584 -51.506 9.825 53.214 1.00 41.50 C +ATOM 4655 CD ARG A 584 -52.540 9.168 54.140 1.00 41.50 C +ATOM 4656 NE ARG A 584 -53.027 10.098 55.181 1.00 41.50 N +ATOM 4657 NH1 ARG A 584 -53.300 8.561 56.876 1.00 41.50 N +ATOM 4658 NH2 ARG A 584 -53.746 10.708 57.260 1.00 41.50 N +ATOM 4659 CZ ARG A 584 -53.353 9.785 56.427 1.00 41.50 C +ATOM 4660 N THR A 585 -47.326 8.641 51.414 1.00 55.69 N +ATOM 4661 CA THR A 585 -46.202 7.700 51.477 1.00 55.69 C +ATOM 4662 C THR A 585 -46.380 6.812 52.709 1.00 55.69 C +ATOM 4663 CB THR A 585 -44.865 8.458 51.539 1.00 55.69 C +ATOM 4664 O THR A 585 -46.297 7.286 53.840 1.00 55.69 O +ATOM 4665 CG2 THR A 585 -43.653 7.540 51.390 1.00 55.69 C +ATOM 4666 OG1 THR A 585 -44.812 9.383 50.478 1.00 55.69 O +ATOM 4667 N VAL A 586 -46.684 5.532 52.496 1.00 57.22 N +ATOM 4668 CA VAL A 586 -46.800 4.531 53.563 1.00 57.22 C +ATOM 4669 C VAL A 586 -45.390 4.169 54.036 1.00 57.22 C +ATOM 4670 CB VAL A 586 -47.588 3.296 53.075 1.00 57.22 C +ATOM 4671 O VAL A 586 -44.585 3.657 53.262 1.00 57.22 O +ATOM 4672 CG1 VAL A 586 -47.704 2.222 54.164 1.00 57.22 C +ATOM 4673 CG2 VAL A 586 -49.013 3.689 52.655 1.00 57.22 C +ATOM 4674 N LEU A 587 -45.085 4.471 55.299 1.00 57.75 N +ATOM 4675 CA LEU A 587 -43.808 4.167 55.949 1.00 57.75 C +ATOM 4676 C LEU A 587 -43.899 2.817 56.673 1.00 57.75 C +ATOM 4677 CB LEU A 587 -43.434 5.307 56.919 1.00 57.75 C +ATOM 4678 O LEU A 587 -44.899 2.526 57.330 1.00 57.75 O +ATOM 4679 CG LEU A 587 -43.221 6.683 56.256 1.00 57.75 C +ATOM 4680 CD1 LEU A 587 -43.045 7.755 57.332 1.00 57.75 C +ATOM 4681 CD2 LEU A 587 -41.988 6.699 55.350 1.00 57.75 C +ATOM 4682 N CYS A 588 -42.852 1.995 56.575 1.00 63.03 N +ATOM 4683 CA CYS A 588 -42.770 0.715 57.281 1.00 63.03 C +ATOM 4684 C CYS A 588 -42.678 0.937 58.803 1.00 63.03 C +ATOM 4685 CB CYS A 588 -41.559 -0.057 56.739 1.00 63.03 C +ATOM 4686 O CYS A 588 -41.762 1.611 59.275 1.00 63.03 O +ATOM 4687 SG CYS A 588 -41.392 -1.641 57.610 1.00 63.03 S +ATOM 4688 N GLY A 589 -43.597 0.340 59.573 1.00 52.94 N +ATOM 4689 CA GLY A 589 -43.751 0.564 61.019 1.00 52.94 C +ATOM 4690 C GLY A 589 -42.573 0.135 61.904 1.00 52.94 C +ATOM 4691 O GLY A 589 -42.573 0.445 63.089 1.00 52.94 O +ATOM 4692 N THR A 590 -41.564 -0.547 61.359 1.00 62.03 N +ATOM 4693 CA THR A 590 -40.396 -1.003 62.134 1.00 62.03 C +ATOM 4694 C THR A 590 -39.128 -0.199 61.844 1.00 62.03 C +ATOM 4695 CB THR A 590 -40.147 -2.504 61.910 1.00 62.03 C +ATOM 4696 O THR A 590 -38.265 -0.109 62.709 1.00 62.03 O +ATOM 4697 CG2 THR A 590 -39.381 -3.150 63.063 1.00 62.03 C +ATOM 4698 OG1 THR A 590 -41.368 -3.203 61.805 1.00 62.03 O +ATOM 4699 N CYS A 591 -38.992 0.410 60.661 1.00 70.12 N +ATOM 4700 CA CYS A 591 -37.759 1.117 60.283 1.00 70.12 C +ATOM 4701 C CYS A 591 -37.961 2.503 59.651 1.00 70.12 C +ATOM 4702 CB CYS A 591 -36.891 0.196 59.415 1.00 70.12 C +ATOM 4703 O CYS A 591 -36.976 3.181 59.373 1.00 70.12 O +ATOM 4704 SG CYS A 591 -37.729 -0.203 57.853 1.00 70.12 S +ATOM 4705 N GLY A 592 -39.202 2.957 59.441 1.00 49.66 N +ATOM 4706 CA GLY A 592 -39.508 4.350 59.097 1.00 49.66 C +ATOM 4707 C GLY A 592 -38.981 4.853 57.747 1.00 49.66 C +ATOM 4708 O GLY A 592 -39.058 6.053 57.497 1.00 49.66 O +ATOM 4709 N GLN A 593 -38.467 3.982 56.872 1.00 63.56 N +ATOM 4710 CA GLN A 593 -37.970 4.372 55.549 1.00 63.56 C +ATOM 4711 C GLN A 593 -39.001 4.124 54.428 1.00 63.56 C +ATOM 4712 CB GLN A 593 -36.618 3.709 55.248 1.00 63.56 C +ATOM 4713 O GLN A 593 -39.761 3.151 54.500 1.00 63.56 O +ATOM 4714 CG GLN A 593 -35.508 4.237 56.179 1.00 63.56 C +ATOM 4715 CD GLN A 593 -34.197 4.541 55.457 1.00 63.56 C +ATOM 4716 NE2 GLN A 593 -33.403 5.460 55.960 1.00 63.56 N +ATOM 4717 OE1 GLN A 593 -33.851 3.976 54.436 1.00 63.56 O +ATOM 4718 N PRO A 594 -39.052 5.001 53.403 1.00 50.81 N +ATOM 4719 CA PRO A 594 -39.913 4.843 52.232 1.00 50.81 C +ATOM 4720 C PRO A 594 -39.391 3.744 51.291 1.00 50.81 C +ATOM 4721 CB PRO A 594 -39.956 6.225 51.573 1.00 50.81 C +ATOM 4722 O PRO A 594 -38.187 3.553 51.141 1.00 50.81 O +ATOM 4723 CG PRO A 594 -38.604 6.836 51.935 1.00 50.81 C +ATOM 4724 CD PRO A 594 -38.299 6.246 53.308 1.00 50.81 C +ATOM 4725 N ALA A 595 -40.312 2.996 50.679 1.00 46.78 N +ATOM 4726 CA ALA A 595 -40.003 1.830 49.856 1.00 46.78 C +ATOM 4727 C ALA A 595 -39.370 2.227 48.510 1.00 46.78 C +ATOM 4728 CB ALA A 595 -41.296 1.018 49.676 1.00 46.78 C +ATOM 4729 O ALA A 595 -40.085 2.545 47.560 1.00 46.78 O +ATOM 4730 N ASP A 596 -38.039 2.176 48.423 1.00 41.06 N +ATOM 4731 CA ASP A 596 -37.312 2.359 47.168 1.00 41.06 C +ATOM 4732 C ASP A 596 -37.051 1.038 46.433 1.00 41.06 C +ATOM 4733 CB ASP A 596 -36.036 3.200 47.355 1.00 41.06 C +ATOM 4734 O ASP A 596 -36.720 -0.002 47.007 1.00 41.06 O +ATOM 4735 CG ASP A 596 -36.274 4.693 47.087 1.00 41.06 C +ATOM 4736 OD1 ASP A 596 -37.034 4.995 46.135 1.00 41.06 O +ATOM 4737 OD2 ASP A 596 -35.658 5.518 47.793 1.00 41.06 O +ATOM 4738 N LYS A 597 -37.235 1.118 45.112 1.00 35.50 N +ATOM 4739 CA LYS A 597 -37.124 0.046 44.120 1.00 35.50 C +ATOM 4740 C LYS A 597 -35.724 -0.573 44.122 1.00 35.50 C +ATOM 4741 CB LYS A 597 -37.413 0.645 42.729 1.00 35.50 C +ATOM 4742 O LYS A 597 -34.803 -0.022 43.524 1.00 35.50 O +ATOM 4743 CG LYS A 597 -38.887 0.983 42.466 1.00 35.50 C +ATOM 4744 CD LYS A 597 -39.013 1.683 41.104 1.00 35.50 C +ATOM 4745 CE LYS A 597 -40.482 1.885 40.723 1.00 35.50 C +ATOM 4746 NZ LYS A 597 -40.614 2.626 39.443 1.00 35.50 N +ATOM 4747 N ALA A 598 -35.584 -1.762 44.698 1.00 35.19 N +ATOM 4748 CA ALA A 598 -34.418 -2.607 44.477 1.00 35.19 C +ATOM 4749 C ALA A 598 -34.691 -3.595 43.334 1.00 35.19 C +ATOM 4750 CB ALA A 598 -33.987 -3.276 45.781 1.00 35.19 C +ATOM 4751 O ALA A 598 -35.587 -4.436 43.387 1.00 35.19 O +ATOM 4752 N SER A 599 -33.884 -3.435 42.292 1.00 33.47 N +ATOM 4753 CA SER A 599 -33.676 -4.304 41.141 1.00 33.47 C +ATOM 4754 C SER A 599 -33.575 -5.785 41.524 1.00 33.47 C +ATOM 4755 CB SER A 599 -32.350 -3.849 40.513 1.00 33.47 C +ATOM 4756 O SER A 599 -32.533 -6.240 41.994 1.00 33.47 O +ATOM 4757 OG SER A 599 -31.345 -3.771 41.513 1.00 33.47 O +ATOM 4758 N ALA A 600 -34.636 -6.549 41.278 1.00 34.41 N +ATOM 4759 CA ALA A 600 -34.574 -8.003 41.287 1.00 34.41 C +ATOM 4760 C ALA A 600 -34.327 -8.488 39.855 1.00 34.41 C +ATOM 4761 CB ALA A 600 -35.836 -8.577 41.933 1.00 34.41 C +ATOM 4762 O ALA A 600 -35.218 -8.498 39.007 1.00 34.41 O +ATOM 4763 N SER A 601 -33.078 -8.864 39.603 1.00 30.20 N +ATOM 4764 CA SER A 601 -32.645 -9.713 38.501 1.00 30.20 C +ATOM 4765 C SER A 601 -33.424 -11.032 38.538 1.00 30.20 C +ATOM 4766 CB SER A 601 -31.141 -9.967 38.679 1.00 30.20 C +ATOM 4767 O SER A 601 -33.091 -11.939 39.298 1.00 30.20 O +ATOM 4768 OG SER A 601 -30.874 -10.377 40.009 1.00 30.20 O +ATOM 4769 N GLY A 602 -34.495 -11.116 37.753 1.00 32.66 N +ATOM 4770 CA GLY A 602 -35.295 -12.321 37.574 1.00 32.66 C +ATOM 4771 C GLY A 602 -35.048 -12.913 36.195 1.00 32.66 C +ATOM 4772 O GLY A 602 -35.519 -12.391 35.190 1.00 32.66 O +ATOM 4773 N SER A 603 -34.295 -14.003 36.169 1.00 29.94 N +ATOM 4774 CA SER A 603 -34.098 -14.934 35.062 1.00 29.94 C +ATOM 4775 C SER A 603 -35.446 -15.488 34.574 1.00 29.94 C +ATOM 4776 CB SER A 603 -33.154 -16.055 35.549 1.00 29.94 C +ATOM 4777 O SER A 603 -35.961 -16.478 35.087 1.00 29.94 O +ATOM 4778 OG SER A 603 -33.150 -16.178 36.969 1.00 29.94 O +ATOM 4779 N GLY A 604 -36.041 -14.821 33.585 1.00 30.95 N +ATOM 4780 CA GLY A 604 -37.289 -15.222 32.940 1.00 30.95 C +ATOM 4781 C GLY A 604 -37.022 -15.960 31.635 1.00 30.95 C +ATOM 4782 O GLY A 604 -36.550 -15.372 30.666 1.00 30.95 O +ATOM 4783 N ALA A 605 -37.318 -17.257 31.638 1.00 32.56 N +ATOM 4784 CA ALA A 605 -37.199 -18.168 30.513 1.00 32.56 C +ATOM 4785 C ALA A 605 -37.913 -17.648 29.253 1.00 32.56 C +ATOM 4786 CB ALA A 605 -37.745 -19.529 30.955 1.00 32.56 C +ATOM 4787 O ALA A 605 -39.088 -17.281 29.258 1.00 32.56 O +ATOM 4788 N GLN A 606 -37.157 -17.660 28.164 1.00 29.77 N +ATOM 4789 CA GLN A 606 -37.509 -17.189 26.836 1.00 29.77 C +ATOM 4790 C GLN A 606 -38.524 -18.148 26.187 1.00 29.77 C +ATOM 4791 CB GLN A 606 -36.160 -17.087 26.094 1.00 29.77 C +ATOM 4792 O GLN A 606 -38.154 -19.133 25.551 1.00 29.77 O +ATOM 4793 CG GLN A 606 -36.094 -16.110 24.917 1.00 29.77 C +ATOM 4794 CD GLN A 606 -34.658 -15.978 24.398 1.00 29.77 C +ATOM 4795 NE2 GLN A 606 -34.355 -14.969 23.613 1.00 29.77 N +ATOM 4796 OE1 GLN A 606 -33.775 -16.771 24.685 1.00 29.77 O +ATOM 4797 N VAL A 607 -39.821 -17.878 26.348 1.00 34.66 N +ATOM 4798 CA VAL A 607 -40.878 -18.496 25.531 1.00 34.66 C +ATOM 4799 C VAL A 607 -41.081 -17.611 24.302 1.00 34.66 C +ATOM 4800 CB VAL A 607 -42.173 -18.759 26.329 1.00 34.66 C +ATOM 4801 O VAL A 607 -41.953 -16.751 24.260 1.00 34.66 O +ATOM 4802 CG1 VAL A 607 -43.219 -19.487 25.470 1.00 34.66 C +ATOM 4803 CG2 VAL A 607 -41.889 -19.651 27.548 1.00 34.66 C +ATOM 4804 N GLY A 608 -40.205 -17.782 23.312 1.00 31.56 N +ATOM 4805 CA GLY A 608 -40.362 -17.193 21.985 1.00 31.56 C +ATOM 4806 C GLY A 608 -41.254 -18.082 21.121 1.00 31.56 C +ATOM 4807 O GLY A 608 -40.827 -19.151 20.692 1.00 31.56 O +ATOM 4808 N GLY A 609 -42.491 -17.652 20.875 1.00 32.12 N +ATOM 4809 CA GLY A 609 -43.345 -18.213 19.828 1.00 32.12 C +ATOM 4810 C GLY A 609 -43.077 -17.498 18.498 1.00 32.12 C +ATOM 4811 O GLY A 609 -43.215 -16.274 18.453 1.00 32.12 O +ATOM 4812 N PRO A 610 -42.691 -18.199 17.417 1.00 39.44 N +ATOM 4813 CA PRO A 610 -42.520 -17.577 16.115 1.00 39.44 C +ATOM 4814 C PRO A 610 -43.880 -17.443 15.425 1.00 39.44 C +ATOM 4815 CB PRO A 610 -41.538 -18.471 15.359 1.00 39.44 C +ATOM 4816 O PRO A 610 -44.569 -18.420 15.137 1.00 39.44 O +ATOM 4817 CG PRO A 610 -41.822 -19.861 15.929 1.00 39.44 C +ATOM 4818 CD PRO A 610 -42.316 -19.603 17.356 1.00 39.44 C +ATOM 4819 N ILE A 611 -44.249 -16.200 15.143 1.00 29.91 N +ATOM 4820 CA ILE A 611 -45.293 -15.838 14.187 1.00 29.91 C +ATOM 4821 C ILE A 611 -44.692 -16.036 12.795 1.00 29.91 C +ATOM 4822 CB ILE A 611 -45.806 -14.382 14.400 1.00 29.91 C +ATOM 4823 O ILE A 611 -43.789 -15.311 12.386 1.00 29.91 O +ATOM 4824 CG1 ILE A 611 -44.980 -13.581 15.440 1.00 29.91 C +ATOM 4825 CG2 ILE A 611 -47.297 -14.425 14.778 1.00 29.91 C +ATOM 4826 CD1 ILE A 611 -45.346 -12.100 15.560 1.00 29.91 C +ATOM 4827 N SER A 612 -45.148 -17.052 12.072 1.00 32.06 N +ATOM 4828 CA SER A 612 -44.870 -17.193 10.644 1.00 32.06 C +ATOM 4829 C SER A 612 -46.163 -17.517 9.921 1.00 32.06 C +ATOM 4830 CB SER A 612 -43.760 -18.205 10.367 1.00 32.06 C +ATOM 4831 O SER A 612 -46.765 -18.575 10.089 1.00 32.06 O +ATOM 4832 OG SER A 612 -42.528 -17.613 10.733 1.00 32.06 O +ATOM 4833 N SER A 613 -46.589 -16.527 9.148 1.00 27.08 N +ATOM 4834 CA SER A 613 -47.572 -16.590 8.083 1.00 27.08 C +ATOM 4835 C SER A 613 -47.125 -17.593 7.022 1.00 27.08 C +ATOM 4836 CB SER A 613 -47.680 -15.183 7.469 1.00 27.08 C +ATOM 4837 O SER A 613 -46.018 -17.499 6.500 1.00 27.08 O +ATOM 4838 OG SER A 613 -46.424 -14.513 7.448 1.00 27.08 O +ATOM 4839 N GLY A 614 -47.991 -18.543 6.682 1.00 29.47 N +ATOM 4840 CA GLY A 614 -47.694 -19.529 5.652 1.00 29.47 C +ATOM 4841 C GLY A 614 -48.881 -20.430 5.370 1.00 29.47 C +ATOM 4842 O GLY A 614 -49.045 -21.474 5.991 1.00 29.47 O +ATOM 4843 N SER A 615 -49.708 -20.009 4.417 1.00 28.81 N +ATOM 4844 CA SER A 615 -50.679 -20.854 3.733 1.00 28.81 C +ATOM 4845 C SER A 615 -49.984 -22.072 3.126 1.00 28.81 C +ATOM 4846 CB SER A 615 -51.313 -20.057 2.583 1.00 28.81 C +ATOM 4847 O SER A 615 -49.095 -21.909 2.295 1.00 28.81 O +ATOM 4848 OG SER A 615 -51.892 -18.860 3.066 1.00 28.81 O +ATOM 4849 N SER A 616 -50.414 -23.274 3.505 1.00 33.53 N +ATOM 4850 CA SER A 616 -50.682 -24.431 2.631 1.00 33.53 C +ATOM 4851 C SER A 616 -50.608 -25.721 3.438 1.00 33.53 C +ATOM 4852 CB SER A 616 -49.773 -24.572 1.405 1.00 33.53 C +ATOM 4853 O SER A 616 -49.638 -26.005 4.135 1.00 33.53 O +ATOM 4854 OG SER A 616 -50.125 -23.569 0.474 1.00 33.53 O +ATOM 4855 N ALA A 617 -51.680 -26.496 3.334 1.00 30.78 N +ATOM 4856 CA ALA A 617 -51.861 -27.775 3.985 1.00 30.78 C +ATOM 4857 C ALA A 617 -50.801 -28.795 3.539 1.00 30.78 C +ATOM 4858 CB ALA A 617 -53.276 -28.249 3.624 1.00 30.78 C +ATOM 4859 O ALA A 617 -50.783 -29.212 2.387 1.00 30.78 O +ATOM 4860 N SER A 618 -49.979 -29.269 4.471 1.00 32.44 N +ATOM 4861 CA SER A 618 -49.573 -30.676 4.503 1.00 32.44 C +ATOM 4862 C SER A 618 -49.154 -31.026 5.930 1.00 32.44 C +ATOM 4863 CB SER A 618 -48.503 -31.027 3.455 1.00 32.44 C +ATOM 4864 O SER A 618 -48.354 -30.330 6.556 1.00 32.44 O +ATOM 4865 OG SER A 618 -47.189 -30.858 3.932 1.00 32.44 O +ATOM 4866 N SER A 619 -49.777 -32.063 6.477 1.00 30.22 N +ATOM 4867 CA SER A 619 -49.543 -32.572 7.823 1.00 30.22 C +ATOM 4868 C SER A 619 -48.150 -33.193 7.919 1.00 30.22 C +ATOM 4869 CB SER A 619 -50.612 -33.629 8.127 1.00 30.22 C +ATOM 4870 O SER A 619 -47.897 -34.222 7.294 1.00 30.22 O +ATOM 4871 OG SER A 619 -50.669 -34.569 7.067 1.00 30.22 O +ATOM 4872 N VAL A 620 -47.270 -32.612 8.733 1.00 28.92 N +ATOM 4873 CA VAL A 620 -45.998 -33.236 9.115 1.00 28.92 C +ATOM 4874 C VAL A 620 -45.993 -33.428 10.627 1.00 28.92 C +ATOM 4875 CB VAL A 620 -44.777 -32.448 8.606 1.00 28.92 C +ATOM 4876 O VAL A 620 -45.959 -32.473 11.401 1.00 28.92 O +ATOM 4877 CG1 VAL A 620 -43.474 -33.172 8.974 1.00 28.92 C +ATOM 4878 CG2 VAL A 620 -44.814 -32.301 7.078 1.00 28.92 C +ATOM 4879 N THR A 621 -46.059 -34.689 11.042 1.00 32.28 N +ATOM 4880 CA THR A 621 -45.961 -35.124 12.436 1.00 32.28 C +ATOM 4881 C THR A 621 -44.534 -34.895 12.933 1.00 32.28 C +ATOM 4882 CB THR A 621 -46.342 -36.611 12.544 1.00 32.28 C +ATOM 4883 O THR A 621 -43.607 -35.593 12.529 1.00 32.28 O +ATOM 4884 CG2 THR A 621 -46.476 -37.088 13.988 1.00 32.28 C +ATOM 4885 OG1 THR A 621 -47.592 -36.819 11.926 1.00 32.28 O +ATOM 4886 N VAL A 622 -44.343 -33.910 13.811 1.00 29.47 N +ATOM 4887 CA VAL A 622 -43.044 -33.617 14.430 1.00 29.47 C +ATOM 4888 C VAL A 622 -42.859 -34.512 15.656 1.00 29.47 C +ATOM 4889 CB VAL A 622 -42.910 -32.117 14.769 1.00 29.47 C +ATOM 4890 O VAL A 622 -43.368 -34.230 16.739 1.00 29.47 O +ATOM 4891 CG1 VAL A 622 -41.560 -31.798 15.431 1.00 29.47 C +ATOM 4892 CG2 VAL A 622 -43.017 -31.258 13.502 1.00 29.47 C +ATOM 4893 N THR A 623 -42.112 -35.603 15.504 1.00 30.22 N +ATOM 4894 CA THR A 623 -41.612 -36.401 16.631 1.00 30.22 C +ATOM 4895 C THR A 623 -40.383 -35.722 17.227 1.00 30.22 C +ATOM 4896 CB THR A 623 -41.275 -37.836 16.204 1.00 30.22 C +ATOM 4897 O THR A 623 -39.310 -35.711 16.626 1.00 30.22 O +ATOM 4898 CG2 THR A 623 -42.540 -38.672 16.028 1.00 30.22 C +ATOM 4899 OG1 THR A 623 -40.580 -37.830 14.980 1.00 30.22 O +ATOM 4900 N ARG A 624 -40.534 -35.133 18.416 1.00 27.77 N +ATOM 4901 CA ARG A 624 -39.444 -34.480 19.149 1.00 27.77 C +ATOM 4902 C ARG A 624 -38.763 -35.500 20.067 1.00 27.77 C +ATOM 4903 CB ARG A 624 -40.006 -33.246 19.880 1.00 27.77 C +ATOM 4904 O ARG A 624 -39.287 -35.846 21.120 1.00 27.77 O +ATOM 4905 CG ARG A 624 -38.955 -32.145 20.070 1.00 27.77 C +ATOM 4906 CD ARG A 624 -39.586 -30.948 20.791 1.00 27.77 C +ATOM 4907 NE ARG A 624 -38.659 -29.799 20.862 1.00 27.77 N +ATOM 4908 NH1 ARG A 624 -39.299 -29.000 22.919 1.00 27.77 N +ATOM 4909 NH2 ARG A 624 -37.735 -27.916 21.755 1.00 27.77 N +ATOM 4910 CZ ARG A 624 -38.567 -28.916 21.842 1.00 27.77 C +ATOM 4911 N SER A 625 -37.608 -36.008 19.648 1.00 28.48 N +ATOM 4912 CA SER A 625 -36.783 -36.930 20.434 1.00 28.48 C +ATOM 4913 C SER A 625 -35.919 -36.146 21.425 1.00 28.48 C +ATOM 4914 CB SER A 625 -35.893 -37.770 19.508 1.00 28.48 C +ATOM 4915 O SER A 625 -35.061 -35.360 21.025 1.00 28.48 O +ATOM 4916 OG SER A 625 -36.636 -38.267 18.411 1.00 28.48 O +ATOM 4917 N TYR A 626 -36.129 -36.354 22.723 1.00 33.91 N +ATOM 4918 CA TYR A 626 -35.292 -35.768 23.768 1.00 33.91 C +ATOM 4919 C TYR A 626 -34.028 -36.618 23.940 1.00 33.91 C +ATOM 4920 CB TYR A 626 -36.094 -35.639 25.072 1.00 33.91 C +ATOM 4921 O TYR A 626 -34.104 -37.786 24.319 1.00 33.91 O +ATOM 4922 CG TYR A 626 -37.298 -34.720 24.956 1.00 33.91 C +ATOM 4923 CD1 TYR A 626 -37.166 -33.345 25.232 1.00 33.91 C +ATOM 4924 CD2 TYR A 626 -38.547 -35.235 24.553 1.00 33.91 C +ATOM 4925 CE1 TYR A 626 -38.280 -32.490 25.122 1.00 33.91 C +ATOM 4926 CE2 TYR A 626 -39.655 -34.379 24.410 1.00 33.91 C +ATOM 4927 OH TYR A 626 -40.602 -32.183 24.607 1.00 33.91 O +ATOM 4928 CZ TYR A 626 -39.526 -33.007 24.706 1.00 33.91 C +ATOM 4929 N ARG A 627 -32.853 -36.040 23.666 1.00 27.20 N +ATOM 4930 CA ARG A 627 -31.571 -36.625 24.080 1.00 27.20 C +ATOM 4931 C ARG A 627 -31.418 -36.405 25.582 1.00 27.20 C +ATOM 4932 CB ARG A 627 -30.391 -36.011 23.304 1.00 27.20 C +ATOM 4933 O ARG A 627 -31.070 -35.308 26.007 1.00 27.20 O +ATOM 4934 CG ARG A 627 -30.266 -36.554 21.874 1.00 27.20 C +ATOM 4935 CD ARG A 627 -28.991 -36.013 21.213 1.00 27.20 C +ATOM 4936 NE ARG A 627 -28.825 -36.529 19.838 1.00 27.20 N +ATOM 4937 NH1 ARG A 627 -26.523 -36.515 19.754 1.00 27.20 N +ATOM 4938 NH2 ARG A 627 -27.684 -37.202 17.983 1.00 27.20 N +ATOM 4939 CZ ARG A 627 -27.683 -36.745 19.203 1.00 27.20 C +ATOM 4940 N SER A 628 -31.698 -37.436 26.374 1.00 33.16 N +ATOM 4941 CA SER A 628 -31.284 -37.458 27.775 1.00 33.16 C +ATOM 4942 C SER A 628 -29.792 -37.777 27.830 1.00 33.16 C +ATOM 4943 CB SER A 628 -32.102 -38.456 28.592 1.00 33.16 C +ATOM 4944 O SER A 628 -29.348 -38.817 27.342 1.00 33.16 O +ATOM 4945 OG SER A 628 -31.823 -38.238 29.958 1.00 33.16 O +ATOM 4946 N VAL A 629 -29.015 -36.839 28.364 1.00 32.38 N +ATOM 4947 CA VAL A 629 -27.575 -36.963 28.595 1.00 32.38 C +ATOM 4948 C VAL A 629 -27.401 -37.870 29.816 1.00 32.38 C +ATOM 4949 CB VAL A 629 -26.936 -35.564 28.763 1.00 32.38 C +ATOM 4950 O VAL A 629 -27.363 -37.411 30.952 1.00 32.38 O +ATOM 4951 CG1 VAL A 629 -25.406 -35.650 28.788 1.00 32.38 C +ATOM 4952 CG2 VAL A 629 -27.324 -34.621 27.611 1.00 32.38 C +ATOM 4953 N GLY A 630 -27.424 -39.183 29.581 1.00 31.39 N +ATOM 4954 CA GLY A 630 -27.324 -40.208 30.616 1.00 31.39 C +ATOM 4955 C GLY A 630 -25.881 -40.424 31.051 1.00 31.39 C +ATOM 4956 O GLY A 630 -25.080 -40.978 30.301 1.00 31.39 O +ATOM 4957 N GLY A 631 -25.576 -39.971 32.265 1.00 32.69 N +ATOM 4958 CA GLY A 631 -24.358 -40.295 32.991 1.00 32.69 C +ATOM 4959 C GLY A 631 -24.268 -41.778 33.351 1.00 32.69 C +ATOM 4960 O GLY A 631 -25.267 -42.473 33.528 1.00 32.69 O +ATOM 4961 N SER A 632 -23.023 -42.229 33.444 1.00 34.34 N +ATOM 4962 CA SER A 632 -22.580 -43.570 33.798 1.00 34.34 C +ATOM 4963 C SER A 632 -23.223 -44.089 35.088 1.00 34.34 C +ATOM 4964 CB SER A 632 -21.058 -43.515 33.987 1.00 34.34 C +ATOM 4965 O SER A 632 -22.995 -43.548 36.166 1.00 34.34 O +ATOM 4966 OG SER A 632 -20.440 -42.873 32.882 1.00 34.34 O +ATOM 4967 N GLY A 633 -23.970 -45.183 34.986 1.00 35.41 N +ATOM 4968 CA GLY A 633 -24.500 -45.913 36.135 1.00 35.41 C +ATOM 4969 C GLY A 633 -25.259 -47.142 35.662 1.00 35.41 C +ATOM 4970 O GLY A 633 -26.364 -47.027 35.146 1.00 35.41 O +ATOM 4971 N GLY A 634 -24.622 -48.310 35.762 1.00 29.39 N +ATOM 4972 CA GLY A 634 -25.178 -49.586 35.321 1.00 29.39 C +ATOM 4973 C GLY A 634 -26.452 -49.971 36.075 1.00 29.39 C +ATOM 4974 O GLY A 634 -26.567 -49.760 37.278 1.00 29.39 O +ATOM 4975 N GLY A 635 -27.392 -50.571 35.350 1.00 33.25 N +ATOM 4976 CA GLY A 635 -28.648 -51.077 35.895 1.00 33.25 C +ATOM 4977 C GLY A 635 -29.591 -51.486 34.773 1.00 33.25 C +ATOM 4978 O GLY A 635 -30.432 -50.710 34.342 1.00 33.25 O +ATOM 4979 N SER A 636 -29.398 -52.698 34.258 1.00 31.34 N +ATOM 4980 CA SER A 636 -30.224 -53.312 33.220 1.00 31.34 C +ATOM 4981 C SER A 636 -31.595 -53.700 33.775 1.00 31.34 C +ATOM 4982 CB SER A 636 -29.483 -54.558 32.702 1.00 31.34 C +ATOM 4983 O SER A 636 -31.719 -54.784 34.332 1.00 31.34 O +ATOM 4984 OG SER A 636 -30.310 -55.373 31.901 1.00 31.34 O +ATOM 4985 N PHE A 637 -32.621 -52.880 33.555 1.00 31.95 N +ATOM 4986 CA PHE A 637 -34.006 -53.350 33.475 1.00 31.95 C +ATOM 4987 C PHE A 637 -34.721 -52.587 32.361 1.00 31.95 C +ATOM 4988 CB PHE A 637 -34.722 -53.277 34.832 1.00 31.95 C +ATOM 4989 O PHE A 637 -34.800 -51.361 32.370 1.00 31.95 O +ATOM 4990 CG PHE A 637 -34.300 -54.401 35.765 1.00 31.95 C +ATOM 4991 CD1 PHE A 637 -34.783 -55.708 35.554 1.00 31.95 C +ATOM 4992 CD2 PHE A 637 -33.360 -54.165 36.787 1.00 31.95 C +ATOM 4993 CE1 PHE A 637 -34.322 -56.772 36.350 1.00 31.95 C +ATOM 4994 CE2 PHE A 637 -32.895 -55.230 37.580 1.00 31.95 C +ATOM 4995 CZ PHE A 637 -33.374 -56.534 37.360 1.00 31.95 C +ATOM 4996 N GLY A 638 -35.137 -53.339 31.342 1.00 32.88 N +ATOM 4997 CA GLY A 638 -35.852 -52.822 30.188 1.00 32.88 C +ATOM 4998 C GLY A 638 -37.278 -52.463 30.570 1.00 32.88 C +ATOM 4999 O GLY A 638 -37.992 -53.306 31.103 1.00 32.88 O +ATOM 5000 N ASP A 639 -37.681 -51.238 30.251 1.00 32.19 N +ATOM 5001 CA ASP A 639 -39.071 -50.819 30.346 1.00 32.19 C +ATOM 5002 C ASP A 639 -39.597 -50.403 28.975 1.00 32.19 C +ATOM 5003 CB ASP A 639 -39.283 -49.754 31.438 1.00 32.19 C +ATOM 5004 O ASP A 639 -39.034 -49.567 28.261 1.00 32.19 O +ATOM 5005 CG ASP A 639 -40.009 -50.297 32.681 1.00 32.19 C +ATOM 5006 OD1 ASP A 639 -40.775 -51.279 32.541 1.00 32.19 O +ATOM 5007 OD2 ASP A 639 -39.847 -49.670 33.749 1.00 32.19 O +ATOM 5008 N ASN A 640 -40.687 -51.071 28.611 1.00 34.81 N +ATOM 5009 CA ASN A 640 -41.431 -50.917 27.377 1.00 34.81 C +ATOM 5010 C ASN A 640 -42.084 -49.529 27.304 1.00 34.81 C +ATOM 5011 CB ASN A 640 -42.489 -52.035 27.314 1.00 34.81 C +ATOM 5012 O ASN A 640 -42.875 -49.138 28.161 1.00 34.81 O +ATOM 5013 CG ASN A 640 -41.934 -53.358 26.823 1.00 34.81 C +ATOM 5014 ND2 ASN A 640 -42.230 -54.451 27.487 1.00 34.81 N +ATOM 5015 OD1 ASN A 640 -41.257 -53.430 25.814 1.00 34.81 O +ATOM 5016 N LEU A 641 -41.803 -48.814 26.215 1.00 32.09 N +ATOM 5017 CA LEU A 641 -42.442 -47.556 25.834 1.00 32.09 C +ATOM 5018 C LEU A 641 -43.921 -47.783 25.479 1.00 32.09 C +ATOM 5019 CB LEU A 641 -41.666 -46.979 24.631 1.00 32.09 C +ATOM 5020 O LEU A 641 -44.247 -48.112 24.341 1.00 32.09 O +ATOM 5021 CG LEU A 641 -40.391 -46.210 25.027 1.00 32.09 C +ATOM 5022 CD1 LEU A 641 -39.245 -46.507 24.060 1.00 32.09 C +ATOM 5023 CD2 LEU A 641 -40.657 -44.702 25.004 1.00 32.09 C +ATOM 5024 N VAL A 642 -44.832 -47.559 26.427 1.00 32.84 N +ATOM 5025 CA VAL A 642 -46.266 -47.417 26.126 1.00 32.84 C +ATOM 5026 C VAL A 642 -46.594 -45.933 25.974 1.00 32.84 C +ATOM 5027 CB VAL A 642 -47.167 -48.138 27.143 1.00 32.84 C +ATOM 5028 O VAL A 642 -46.677 -45.175 26.938 1.00 32.84 O +ATOM 5029 CG1 VAL A 642 -48.648 -47.998 26.754 1.00 32.84 C +ATOM 5030 CG2 VAL A 642 -46.839 -49.637 27.189 1.00 32.84 C +ATOM 5031 N THR A 643 -46.764 -45.511 24.723 1.00 32.25 N +ATOM 5032 CA THR A 643 -47.160 -44.157 24.329 1.00 32.25 C +ATOM 5033 C THR A 643 -48.628 -43.917 24.692 1.00 32.25 C +ATOM 5034 CB THR A 643 -46.948 -43.983 22.813 1.00 32.25 C +ATOM 5035 O THR A 643 -49.521 -44.521 24.104 1.00 32.25 O +ATOM 5036 CG2 THR A 643 -46.968 -42.520 22.376 1.00 32.25 C +ATOM 5037 OG1 THR A 643 -45.699 -44.512 22.426 1.00 32.25 O +ATOM 5038 N ARG A 644 -48.900 -43.032 25.659 1.00 30.05 N +ATOM 5039 CA ARG A 644 -50.267 -42.621 26.018 1.00 30.05 C +ATOM 5040 C ARG A 644 -50.611 -41.297 25.337 1.00 30.05 C +ATOM 5041 CB ARG A 644 -50.443 -42.588 27.549 1.00 30.05 C +ATOM 5042 O ARG A 644 -50.113 -40.242 25.720 1.00 30.05 O +ATOM 5043 CG ARG A 644 -51.631 -43.452 27.998 1.00 30.05 C +ATOM 5044 CD ARG A 644 -51.840 -43.298 29.507 1.00 30.05 C +ATOM 5045 NE ARG A 644 -52.900 -44.187 30.019 1.00 30.05 N +ATOM 5046 NH1 ARG A 644 -53.615 -42.843 31.746 1.00 30.05 N +ATOM 5047 NH2 ARG A 644 -54.515 -44.869 31.472 1.00 30.05 N +ATOM 5048 CZ ARG A 644 -53.668 -43.961 31.072 1.00 30.05 C +ATOM 5049 N SER A 645 -51.454 -41.369 24.315 1.00 31.02 N +ATOM 5050 CA SER A 645 -52.073 -40.236 23.629 1.00 31.02 C +ATOM 5051 C SER A 645 -53.348 -39.813 24.367 1.00 31.02 C +ATOM 5052 CB SER A 645 -52.356 -40.609 22.164 1.00 31.02 C +ATOM 5053 O SER A 645 -54.231 -40.629 24.624 1.00 31.02 O +ATOM 5054 OG SER A 645 -52.696 -41.981 22.034 1.00 31.02 O +ATOM 5055 N TYR A 646 -53.444 -38.532 24.724 1.00 30.58 N +ATOM 5056 CA TYR A 646 -54.619 -37.951 25.375 1.00 30.58 C +ATOM 5057 C TYR A 646 -55.435 -37.165 24.343 1.00 30.58 C +ATOM 5058 CB TYR A 646 -54.187 -37.083 26.569 1.00 30.58 C +ATOM 5059 O TYR A 646 -54.947 -36.191 23.773 1.00 30.58 O +ATOM 5060 CG TYR A 646 -53.579 -37.865 27.723 1.00 30.58 C +ATOM 5061 CD1 TYR A 646 -54.414 -38.415 28.716 1.00 30.58 C +ATOM 5062 CD2 TYR A 646 -52.184 -38.051 27.806 1.00 30.58 C +ATOM 5063 CE1 TYR A 646 -53.860 -39.150 29.783 1.00 30.58 C +ATOM 5064 CE2 TYR A 646 -51.624 -38.777 28.876 1.00 30.58 C +ATOM 5065 OH TYR A 646 -51.934 -40.049 30.895 1.00 30.58 O +ATOM 5066 CZ TYR A 646 -52.464 -39.330 29.867 1.00 30.58 C +ATOM 5067 N LEU A 647 -56.675 -37.594 24.099 1.00 32.62 N +ATOM 5068 CA LEU A 647 -57.674 -36.842 23.338 1.00 32.62 C +ATOM 5069 C LEU A 647 -58.465 -35.961 24.314 1.00 32.62 C +ATOM 5070 CB LEU A 647 -58.585 -37.823 22.568 1.00 32.62 C +ATOM 5071 O LEU A 647 -59.151 -36.475 25.197 1.00 32.62 O +ATOM 5072 CG LEU A 647 -57.954 -38.380 21.277 1.00 32.62 C +ATOM 5073 CD1 LEU A 647 -58.703 -39.629 20.811 1.00 32.62 C +ATOM 5074 CD2 LEU A 647 -58.005 -37.351 20.143 1.00 32.62 C +ATOM 5075 N LEU A 648 -58.353 -34.638 24.169 1.00 30.12 N +ATOM 5076 CA LEU A 648 -59.154 -33.669 24.918 1.00 30.12 C +ATOM 5077 C LEU A 648 -60.594 -33.671 24.383 1.00 30.12 C +ATOM 5078 CB LEU A 648 -58.528 -32.262 24.829 1.00 30.12 C +ATOM 5079 O LEU A 648 -60.856 -33.194 23.282 1.00 30.12 O +ATOM 5080 CG LEU A 648 -57.304 -32.054 25.747 1.00 30.12 C +ATOM 5081 CD1 LEU A 648 -55.999 -31.989 24.952 1.00 30.12 C +ATOM 5082 CD2 LEU A 648 -57.445 -30.752 26.539 1.00 30.12 C +ATOM 5083 N GLY A 649 -61.519 -34.232 25.162 1.00 30.92 N +ATOM 5084 CA GLY A 649 -62.954 -34.192 24.891 1.00 30.92 C +ATOM 5085 C GLY A 649 -63.613 -32.953 25.497 1.00 30.92 C +ATOM 5086 O GLY A 649 -63.455 -32.685 26.687 1.00 30.92 O +ATOM 5087 N ASN A 650 -64.378 -32.227 24.676 1.00 32.62 N +ATOM 5088 CA ASN A 650 -65.257 -31.128 25.079 1.00 32.62 C +ATOM 5089 C ASN A 650 -66.309 -31.611 26.091 1.00 32.62 C +ATOM 5090 CB ASN A 650 -65.971 -30.558 23.832 1.00 32.62 C +ATOM 5091 O ASN A 650 -67.260 -32.306 25.737 1.00 32.62 O +ATOM 5092 CG ASN A 650 -65.246 -29.421 23.140 1.00 32.62 C +ATOM 5093 ND2 ASN A 650 -65.922 -28.724 22.257 1.00 32.62 N +ATOM 5094 OD1 ASN A 650 -64.092 -29.126 23.384 1.00 32.62 O +ATOM 5095 N SER A 651 -66.169 -31.206 27.347 1.00 34.38 N +ATOM 5096 CA SER A 651 -67.156 -31.437 28.399 1.00 34.38 C +ATOM 5097 C SER A 651 -68.208 -30.322 28.411 1.00 34.38 C +ATOM 5098 CB SER A 651 -66.436 -31.593 29.745 1.00 34.38 C +ATOM 5099 O SER A 651 -67.976 -29.243 28.952 1.00 34.38 O +ATOM 5100 OG SER A 651 -65.380 -30.661 29.873 1.00 34.38 O +ATOM 5101 N SER A 652 -69.376 -30.587 27.819 1.00 32.28 N +ATOM 5102 CA SER A 652 -70.604 -29.814 28.057 1.00 32.28 C +ATOM 5103 C SER A 652 -71.144 -30.081 29.475 1.00 32.28 C +ATOM 5104 CB SER A 652 -71.680 -30.159 27.021 1.00 32.28 C +ATOM 5105 O SER A 652 -71.051 -31.214 29.958 1.00 32.28 O +ATOM 5106 OG SER A 652 -71.247 -29.815 25.720 1.00 32.28 O +ATOM 5107 N PRO A 653 -71.713 -29.073 30.163 1.00 37.22 N +ATOM 5108 CA PRO A 653 -72.074 -29.171 31.573 1.00 37.22 C +ATOM 5109 C PRO A 653 -73.368 -29.972 31.758 1.00 37.22 C +ATOM 5110 CB PRO A 653 -72.188 -27.724 32.062 1.00 37.22 C +ATOM 5111 O PRO A 653 -74.428 -29.615 31.248 1.00 37.22 O +ATOM 5112 CG PRO A 653 -72.622 -26.960 30.811 1.00 37.22 C +ATOM 5113 CD PRO A 653 -71.962 -27.727 29.668 1.00 37.22 C +ATOM 5114 N ARG A 654 -73.274 -31.076 32.503 1.00 34.22 N +ATOM 5115 CA ARG A 654 -74.399 -31.957 32.825 1.00 34.22 C +ATOM 5116 C ARG A 654 -75.096 -31.445 34.087 1.00 34.22 C +ATOM 5117 CB ARG A 654 -73.873 -33.399 32.942 1.00 34.22 C +ATOM 5118 O ARG A 654 -74.544 -31.516 35.180 1.00 34.22 O +ATOM 5119 CG ARG A 654 -74.964 -34.466 32.769 1.00 34.22 C +ATOM 5120 CD ARG A 654 -74.321 -35.860 32.824 1.00 34.22 C +ATOM 5121 NE ARG A 654 -75.288 -36.933 32.520 1.00 34.22 N +ATOM 5122 NH1 ARG A 654 -74.096 -38.684 33.415 1.00 34.22 N +ATOM 5123 NH2 ARG A 654 -76.068 -39.075 32.450 1.00 34.22 N +ATOM 5124 CZ ARG A 654 -75.146 -38.220 32.795 1.00 34.22 C +ATOM 5125 N THR A 655 -76.314 -30.945 33.923 1.00 34.44 N +ATOM 5126 CA THR A 655 -77.260 -30.617 34.995 1.00 34.44 C +ATOM 5127 C THR A 655 -77.610 -31.882 35.788 1.00 34.44 C +ATOM 5128 CB THR A 655 -78.539 -30.030 34.367 1.00 34.44 C +ATOM 5129 O THR A 655 -78.160 -32.825 35.218 1.00 34.44 O +ATOM 5130 CG2 THR A 655 -78.303 -28.642 33.772 1.00 34.44 C +ATOM 5131 OG1 THR A 655 -78.969 -30.863 33.310 1.00 34.44 O +ATOM 5132 N GLN A 656 -77.294 -31.926 37.085 1.00 32.78 N +ATOM 5133 CA GLN A 656 -77.768 -32.967 38.003 1.00 32.78 C +ATOM 5134 C GLN A 656 -78.963 -32.442 38.805 1.00 32.78 C +ATOM 5135 CB GLN A 656 -76.637 -33.468 38.919 1.00 32.78 C +ATOM 5136 O GLN A 656 -78.868 -31.444 39.512 1.00 32.78 O +ATOM 5137 CG GLN A 656 -75.794 -34.565 38.248 1.00 32.78 C +ATOM 5138 CD GLN A 656 -74.670 -35.096 39.139 1.00 32.78 C +ATOM 5139 NE2 GLN A 656 -73.948 -36.107 38.708 1.00 32.78 N +ATOM 5140 OE1 GLN A 656 -74.400 -34.626 40.226 1.00 32.78 O +ATOM 5141 N SER A 657 -80.096 -33.124 38.653 1.00 32.41 N +ATOM 5142 CA SER A 657 -81.314 -32.994 39.456 1.00 32.41 C +ATOM 5143 C SER A 657 -81.124 -33.583 40.865 1.00 32.41 C +ATOM 5144 CB SER A 657 -82.437 -33.749 38.735 1.00 32.41 C +ATOM 5145 O SER A 657 -80.395 -34.570 40.998 1.00 32.41 O +ATOM 5146 OG SER A 657 -81.991 -35.051 38.390 1.00 32.41 O +ATOM 5147 N PRO A 658 -81.793 -33.047 41.903 1.00 41.25 N +ATOM 5148 CA PRO A 658 -81.528 -33.392 43.297 1.00 41.25 C +ATOM 5149 C PRO A 658 -82.168 -34.734 43.675 1.00 41.25 C +ATOM 5150 CB PRO A 658 -82.097 -32.222 44.106 1.00 41.25 C +ATOM 5151 O PRO A 658 -83.355 -34.955 43.440 1.00 41.25 O +ATOM 5152 CG PRO A 658 -83.280 -31.749 43.260 1.00 41.25 C +ATOM 5153 CD PRO A 658 -82.838 -32.034 41.825 1.00 41.25 C +ATOM 5154 N GLN A 659 -81.381 -35.631 44.272 1.00 36.66 N +ATOM 5155 CA GLN A 659 -81.874 -36.871 44.870 1.00 36.66 C +ATOM 5156 C GLN A 659 -82.034 -36.701 46.383 1.00 36.66 C +ATOM 5157 CB GLN A 659 -80.973 -38.065 44.509 1.00 36.66 C +ATOM 5158 O GLN A 659 -81.096 -36.335 47.087 1.00 36.66 O +ATOM 5159 CG GLN A 659 -81.282 -38.592 43.098 1.00 36.66 C +ATOM 5160 CD GLN A 659 -80.485 -39.847 42.745 1.00 36.66 C +ATOM 5161 NE2 GLN A 659 -81.050 -40.761 41.986 1.00 36.66 N +ATOM 5162 OE1 GLN A 659 -79.342 -40.034 43.118 1.00 36.66 O +ATOM 5163 N ASN A 660 -83.252 -36.980 46.848 1.00 36.44 N +ATOM 5164 CA ASN A 660 -83.649 -37.082 48.247 1.00 36.44 C +ATOM 5165 C ASN A 660 -82.829 -38.160 48.970 1.00 36.44 C +ATOM 5166 CB ASN A 660 -85.143 -37.475 48.282 1.00 36.44 C +ATOM 5167 O ASN A 660 -82.925 -39.336 48.616 1.00 36.44 O +ATOM 5168 CG ASN A 660 -86.100 -36.373 47.871 1.00 36.44 C +ATOM 5169 ND2 ASN A 660 -87.297 -36.717 47.458 1.00 36.44 N +ATOM 5170 OD1 ASN A 660 -85.803 -35.196 47.928 1.00 36.44 O +ATOM 5171 N CYS A 661 -82.101 -37.784 50.021 1.00 37.16 N +ATOM 5172 CA CYS A 661 -81.581 -38.739 50.996 1.00 37.16 C +ATOM 5173 C CYS A 661 -82.592 -38.907 52.135 1.00 37.16 C +ATOM 5174 CB CYS A 661 -80.188 -38.331 51.488 1.00 37.16 C +ATOM 5175 O CYS A 661 -82.964 -37.947 52.807 1.00 37.16 O +ATOM 5176 SG CYS A 661 -78.949 -38.974 50.325 1.00 37.16 S +ATOM 5177 N SER A 662 -83.048 -40.147 52.291 1.00 36.12 N +ATOM 5178 CA SER A 662 -83.965 -40.612 53.326 1.00 36.12 C +ATOM 5179 C SER A 662 -83.226 -40.897 54.634 1.00 36.12 C +ATOM 5180 CB SER A 662 -84.677 -41.876 52.827 1.00 36.12 C +ATOM 5181 O SER A 662 -82.100 -41.382 54.632 1.00 36.12 O +ATOM 5182 OG SER A 662 -85.647 -42.329 53.749 1.00 36.12 O +ATOM 5183 N ILE A 663 -83.945 -40.619 55.716 1.00 27.86 N +ATOM 5184 CA ILE A 663 -83.712 -40.900 57.136 1.00 27.86 C +ATOM 5185 C ILE A 663 -83.049 -42.263 57.407 1.00 27.86 C +ATOM 5186 CB ILE A 663 -85.120 -40.833 57.791 1.00 27.86 C +ATOM 5187 O ILE A 663 -83.616 -43.300 57.056 1.00 27.86 O +ATOM 5188 CG1 ILE A 663 -85.636 -39.371 57.807 1.00 27.86 C +ATOM 5189 CG2 ILE A 663 -85.194 -41.429 59.208 1.00 27.86 C +ATOM 5190 CD1 ILE A 663 -87.166 -39.260 57.869 1.00 27.86 C +ATOM 5191 N MET A 664 -81.915 -42.227 58.116 1.00 36.44 N +ATOM 5192 CA MET A 664 -81.718 -42.812 59.454 1.00 36.44 C +ATOM 5193 C MET A 664 -80.652 -42.026 60.212 1.00 36.44 C +ATOM 5194 CB MET A 664 -81.359 -44.306 59.421 1.00 36.44 C +ATOM 5195 O MET A 664 -79.660 -41.624 59.562 1.00 36.44 O +ATOM 5196 CG MET A 664 -82.607 -45.151 59.686 1.00 36.44 C +ATOM 5197 SD MET A 664 -82.280 -46.884 60.101 1.00 36.44 S +ATOM 5198 CE MET A 664 -83.977 -47.404 60.458 1.00 36.44 C +ATOM 5199 OXT MET A 664 -80.915 -41.810 61.413 1.00 36.44 O +TER 5200 MET A 664 +ENDMDL +END \ No newline at end of file diff --git a/notebooks/af_cache/P07949.pdb b/notebooks/af_cache/P07949.pdb new file mode 100644 index 0000000..48dfd09 --- /dev/null +++ b/notebooks/af_cache/P07949.pdb @@ -0,0 +1,8875 @@ +HEADER 01-AUG-25 +TITLE ALPHAFOLD MONOMER V2.0 PREDICTION FOR PROTO-ONCOGENE TYROSINE-PROTEIN +TITLE 2 KINASE RECEPTOR RET (P07949) +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET; +COMPND 3 CHAIN: A +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_TAXID: 9606 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH JOHN JUMPER, RICHARD EVANS, ALEXANDER PRITZEL, TIM GREEN, +REMARK 1 AUTH 2 MICHAEL FIGURNOV, OLAF RONNEBERGER, KATHRYN TUNYASUVUNAKOOL, +REMARK 1 AUTH 3 RUSS BATES, AUGUSTIN ZIDEK, ANNA POTAPENKO, ALEX BRIDGLAND, +REMARK 1 AUTH 4 CLEMENS MEYER, SIMON A A KOHL, ANDREW J BALLARD, +REMARK 1 AUTH 5 ANDREW COWIE, BERNARDINO ROMERA-PAREDES, STANISLAV NIKOLOV, +REMARK 1 AUTH 6 RISHUB JAIN, JONAS ADLER, TREVOR BACK, STIG PETERSEN, +REMARK 1 AUTH 7 DAVID REIMAN, ELLEN CLANCY, MICHAL ZIELINSKI, +REMARK 1 AUTH 8 MARTIN STEINEGGER, MICHALINA PACHOLSKA, TAMAS BERGHAMMER, +REMARK 1 AUTH 9 DAVID SILVER, ORIOL VINYALS, ANDREW W SENIOR, +REMARK 1 AUTH10 KORAY KAVUKCUOGLU, PUSHMEET KOHLI, DEMIS HASSABIS +REMARK 1 TITL HIGHLY ACCURATE PROTEIN STRUCTURE PREDICTION WITH ALPHAFOLD +REMARK 1 REF NATURE V. 596 583 2021 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 PMID 34265844 +REMARK 1 DOI 10.1038/s41586-021-03819-2 +REMARK 1 +REMARK 1 DISCLAIMERS +REMARK 1 ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE +REMARK 1 INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD +REMARK 1 BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY +REMARK 1 OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +REMARK 1 USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD +REMARK 1 PARTY. THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR +REMARK 1 PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT +REMARK 1 CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +REMARK 1 ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +DBREF XXXX A 1 1114 UNP P07949 RET_HUMAN 1 1114 +SEQRES 1 A 1114 MET ALA LYS ALA THR SER GLY ALA ALA GLY LEU ARG LEU +SEQRES 2 A 1114 LEU LEU LEU LEU LEU LEU PRO LEU LEU GLY LYS VAL ALA +SEQRES 3 A 1114 LEU GLY LEU TYR PHE SER ARG ASP ALA TYR TRP GLU LYS +SEQRES 4 A 1114 LEU TYR VAL ASP GLN ALA ALA GLY THR PRO LEU LEU TYR +SEQRES 5 A 1114 VAL HIS ALA LEU ARG ASP ALA PRO GLU GLU VAL PRO SER +SEQRES 6 A 1114 PHE ARG LEU GLY GLN HIS LEU TYR GLY THR TYR ARG THR +SEQRES 7 A 1114 ARG LEU HIS GLU ASN ASN TRP ILE CYS ILE GLN GLU ASP +SEQRES 8 A 1114 THR GLY LEU LEU TYR LEU ASN ARG SER LEU ASP HIS SER +SEQRES 9 A 1114 SER TRP GLU LYS LEU SER VAL ARG ASN ARG GLY PHE PRO +SEQRES 10 A 1114 LEU LEU THR VAL TYR LEU LYS VAL PHE LEU SER PRO THR +SEQRES 11 A 1114 SER LEU ARG GLU GLY GLU CYS GLN TRP PRO GLY CYS ALA +SEQRES 12 A 1114 ARG VAL TYR PHE SER PHE PHE ASN THR SER PHE PRO ALA +SEQRES 13 A 1114 CYS SER SER LEU LYS PRO ARG GLU LEU CYS PHE PRO GLU +SEQRES 14 A 1114 THR ARG PRO SER PHE ARG ILE ARG GLU ASN ARG PRO PRO +SEQRES 15 A 1114 GLY THR PHE HIS GLN PHE ARG LEU LEU PRO VAL GLN PHE +SEQRES 16 A 1114 LEU CYS PRO ASN ILE SER VAL ALA TYR ARG LEU LEU GLU +SEQRES 17 A 1114 GLY GLU GLY LEU PRO PHE ARG CYS ALA PRO ASP SER LEU +SEQRES 18 A 1114 GLU VAL SER THR ARG TRP ALA LEU ASP ARG GLU GLN ARG +SEQRES 19 A 1114 GLU LYS TYR GLU LEU VAL ALA VAL CYS THR VAL HIS ALA +SEQRES 20 A 1114 GLY ALA ARG GLU GLU VAL VAL MET VAL PRO PHE PRO VAL +SEQRES 21 A 1114 THR VAL TYR ASP GLU ASP ASP SER ALA PRO THR PHE PRO +SEQRES 22 A 1114 ALA GLY VAL ASP THR ALA SER ALA VAL VAL GLU PHE LYS +SEQRES 23 A 1114 ARG LYS GLU ASP THR VAL VAL ALA THR LEU ARG VAL PHE +SEQRES 24 A 1114 ASP ALA ASP VAL VAL PRO ALA SER GLY GLU LEU VAL ARG +SEQRES 25 A 1114 ARG TYR THR SER THR LEU LEU PRO GLY ASP THR TRP ALA +SEQRES 26 A 1114 GLN GLN THR PHE ARG VAL GLU HIS TRP PRO ASN GLU THR +SEQRES 27 A 1114 SER VAL GLN ALA ASN GLY SER PHE VAL ARG ALA THR VAL +SEQRES 28 A 1114 HIS ASP TYR ARG LEU VAL LEU ASN ARG ASN LEU SER ILE +SEQRES 29 A 1114 SER GLU ASN ARG THR MET GLN LEU ALA VAL LEU VAL ASN +SEQRES 30 A 1114 ASP SER ASP PHE GLN GLY PRO GLY ALA GLY VAL LEU LEU +SEQRES 31 A 1114 LEU HIS PHE ASN VAL SER VAL LEU PRO VAL SER LEU HIS +SEQRES 32 A 1114 LEU PRO SER THR TYR SER LEU SER VAL SER ARG ARG ALA +SEQRES 33 A 1114 ARG ARG PHE ALA GLN ILE GLY LYS VAL CYS VAL GLU ASN +SEQRES 34 A 1114 CYS GLN ALA PHE SER GLY ILE ASN VAL GLN TYR LYS LEU +SEQRES 35 A 1114 HIS SER SER GLY ALA ASN CYS SER THR LEU GLY VAL VAL +SEQRES 36 A 1114 THR SER ALA GLU ASP THR SER GLY ILE LEU PHE VAL ASN +SEQRES 37 A 1114 ASP THR LYS ALA LEU ARG ARG PRO LYS CYS ALA GLU LEU +SEQRES 38 A 1114 HIS TYR MET VAL VAL ALA THR ASP GLN GLN THR SER ARG +SEQRES 39 A 1114 GLN ALA GLN ALA GLN LEU LEU VAL THR VAL GLU GLY SER +SEQRES 40 A 1114 TYR VAL ALA GLU GLU ALA GLY CYS PRO LEU SER CYS ALA +SEQRES 41 A 1114 VAL SER LYS ARG ARG LEU GLU CYS GLU GLU CYS GLY GLY +SEQRES 42 A 1114 LEU GLY SER PRO THR GLY ARG CYS GLU TRP ARG GLN GLY +SEQRES 43 A 1114 ASP GLY LYS GLY ILE THR ARG ASN PHE SER THR CYS SER +SEQRES 44 A 1114 PRO SER THR LYS THR CYS PRO ASP GLY HIS CYS ASP VAL +SEQRES 45 A 1114 VAL GLU THR GLN ASP ILE ASN ILE CYS PRO GLN ASP CYS +SEQRES 46 A 1114 LEU ARG GLY SER ILE VAL GLY GLY HIS GLU PRO GLY GLU +SEQRES 47 A 1114 PRO ARG GLY ILE LYS ALA GLY TYR GLY THR CYS ASN CYS +SEQRES 48 A 1114 PHE PRO GLU GLU GLU LYS CYS PHE CYS GLU PRO GLU ASP +SEQRES 49 A 1114 ILE GLN ASP PRO LEU CYS ASP GLU LEU CYS ARG THR VAL +SEQRES 50 A 1114 ILE ALA ALA ALA VAL LEU PHE SER PHE ILE VAL SER VAL +SEQRES 51 A 1114 LEU LEU SER ALA PHE CYS ILE HIS CYS TYR HIS LYS PHE +SEQRES 52 A 1114 ALA HIS LYS PRO PRO ILE SER SER ALA GLU MET THR PHE +SEQRES 53 A 1114 ARG ARG PRO ALA GLN ALA PHE PRO VAL SER TYR SER SER +SEQRES 54 A 1114 SER GLY ALA ARG ARG PRO SER LEU ASP SER MET GLU ASN +SEQRES 55 A 1114 GLN VAL SER VAL ASP ALA PHE LYS ILE LEU GLU ASP PRO +SEQRES 56 A 1114 LYS TRP GLU PHE PRO ARG LYS ASN LEU VAL LEU GLY LYS +SEQRES 57 A 1114 THR LEU GLY GLU GLY GLU PHE GLY LYS VAL VAL LYS ALA +SEQRES 58 A 1114 THR ALA PHE HIS LEU LYS GLY ARG ALA GLY TYR THR THR +SEQRES 59 A 1114 VAL ALA VAL LYS MET LEU LYS GLU ASN ALA SER PRO SER +SEQRES 60 A 1114 GLU LEU ARG ASP LEU LEU SER GLU PHE ASN VAL LEU LYS +SEQRES 61 A 1114 GLN VAL ASN HIS PRO HIS VAL ILE LYS LEU TYR GLY ALA +SEQRES 62 A 1114 CYS SER GLN ASP GLY PRO LEU LEU LEU ILE VAL GLU TYR +SEQRES 63 A 1114 ALA LYS TYR GLY SER LEU ARG GLY PHE LEU ARG GLU SER +SEQRES 64 A 1114 ARG LYS VAL GLY PRO GLY TYR LEU GLY SER GLY GLY SER +SEQRES 65 A 1114 ARG ASN SER SER SER LEU ASP HIS PRO ASP GLU ARG ALA +SEQRES 66 A 1114 LEU THR MET GLY ASP LEU ILE SER PHE ALA TRP GLN ILE +SEQRES 67 A 1114 SER GLN GLY MET GLN TYR LEU ALA GLU MET LYS LEU VAL +SEQRES 68 A 1114 HIS ARG ASP LEU ALA ALA ARG ASN ILE LEU VAL ALA GLU +SEQRES 69 A 1114 GLY ARG LYS MET LYS ILE SER ASP PHE GLY LEU SER ARG +SEQRES 70 A 1114 ASP VAL TYR GLU GLU ASP SER TYR VAL LYS ARG SER GLN +SEQRES 71 A 1114 GLY ARG ILE PRO VAL LYS TRP MET ALA ILE GLU SER LEU +SEQRES 72 A 1114 PHE ASP HIS ILE TYR THR THR GLN SER ASP VAL TRP SER +SEQRES 73 A 1114 PHE GLY VAL LEU LEU TRP GLU ILE VAL THR LEU GLY GLY +SEQRES 74 A 1114 ASN PRO TYR PRO GLY ILE PRO PRO GLU ARG LEU PHE ASN +SEQRES 75 A 1114 LEU LEU LYS THR GLY HIS ARG MET GLU ARG PRO ASP ASN +SEQRES 76 A 1114 CYS SER GLU GLU MET TYR ARG LEU MET LEU GLN CYS TRP +SEQRES 77 A 1114 LYS GLN GLU PRO ASP LYS ARG PRO VAL PHE ALA ASP ILE +SEQRES 78 A 1114 SER LYS ASP LEU GLU LYS MET MET VAL LYS ARG ARG ASP +SEQRES 79 A 1114 TYR LEU ASP LEU ALA ALA SER THR PRO SER ASP SER LEU +SEQRES 80 A 1114 ILE TYR ASP ASP GLY LEU SER GLU GLU GLU THR PRO LEU +SEQRES 81 A 1114 VAL ASP CYS ASN ASN ALA PRO LEU PRO ARG ALA LEU PRO +SEQRES 82 A 1114 SER THR TRP ILE GLU ASN LYS LEU TYR GLY MET SER ASP +SEQRES 83 A 1114 PRO ASN TRP PRO GLY GLU SER PRO VAL PRO LEU THR ARG +SEQRES 84 A 1114 ALA ASP GLY THR ASN THR GLY PHE PRO ARG TYR PRO ASN +SEQRES 85 A 1114 ASP SER VAL TYR ALA ASN TRP MET LEU SER PRO SER ALA +SEQRES 86 A 1114 ALA LYS LEU MET ASP THR PHE ASP SER +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +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 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N MET A 1 -46.059 -23.224 -46.457 1.00 35.91 N +ATOM 2 CA MET A 1 -46.424 -23.263 -47.897 1.00 35.91 C +ATOM 3 C MET A 1 -45.132 -23.262 -48.721 1.00 35.91 C +ATOM 4 CB MET A 1 -47.352 -22.086 -48.244 1.00 35.91 C +ATOM 5 O MET A 1 -44.140 -22.825 -48.161 1.00 35.91 O +ATOM 6 CG MET A 1 -48.735 -22.260 -47.594 1.00 35.91 C +ATOM 7 SD MET A 1 -49.790 -20.799 -47.718 1.00 35.91 S +ATOM 8 CE MET A 1 -51.305 -21.402 -46.918 1.00 35.91 C +ATOM 9 N ALA A 2 -45.138 -23.832 -49.941 1.00 35.56 N +ATOM 10 CA ALA A 2 -44.045 -23.960 -50.946 1.00 35.56 C +ATOM 11 C ALA A 2 -42.648 -23.381 -50.577 1.00 35.56 C +ATOM 12 CB ALA A 2 -44.564 -23.284 -52.223 1.00 35.56 C +ATOM 13 O ALA A 2 -42.531 -22.184 -50.362 1.00 35.56 O +ATOM 14 N LYS A 3 -41.526 -24.117 -50.483 1.00 35.34 N +ATOM 15 CA LYS A 3 -41.053 -25.370 -51.124 1.00 35.34 C +ATOM 16 C LYS A 3 -40.812 -25.258 -52.645 1.00 35.34 C +ATOM 17 CB LYS A 3 -41.891 -26.614 -50.713 1.00 35.34 C +ATOM 18 O LYS A 3 -41.737 -25.538 -53.396 1.00 35.34 O +ATOM 19 CG LYS A 3 -41.034 -27.876 -50.491 1.00 35.34 C +ATOM 20 CD LYS A 3 -41.889 -29.144 -50.294 1.00 35.34 C +ATOM 21 CE LYS A 3 -41.046 -30.293 -49.712 1.00 35.34 C +ATOM 22 NZ LYS A 3 -41.804 -31.572 -49.627 1.00 35.34 N +ATOM 23 N ALA A 4 -39.578 -24.923 -53.065 1.00 41.66 N +ATOM 24 CA ALA A 4 -38.803 -25.518 -54.184 1.00 41.66 C +ATOM 25 C ALA A 4 -37.592 -24.639 -54.611 1.00 41.66 C +ATOM 26 CB ALA A 4 -39.676 -25.821 -55.413 1.00 41.66 C +ATOM 27 O ALA A 4 -37.517 -23.476 -54.241 1.00 41.66 O +ATOM 28 N THR A 5 -36.674 -25.239 -55.389 1.00 41.41 N +ATOM 29 CA THR A 5 -35.469 -24.680 -56.059 1.00 41.41 C +ATOM 30 C THR A 5 -34.382 -24.078 -55.143 1.00 41.41 C +ATOM 31 CB THR A 5 -35.808 -23.742 -57.236 1.00 41.41 C +ATOM 32 O THR A 5 -34.449 -22.908 -54.793 1.00 41.41 O +ATOM 33 CG2 THR A 5 -36.765 -24.393 -58.237 1.00 41.41 C +ATOM 34 OG1 THR A 5 -36.420 -22.550 -56.818 1.00 41.41 O +ATOM 35 N SER A 6 -33.425 -24.828 -54.579 1.00 37.19 N +ATOM 36 CA SER A 6 -32.352 -25.670 -55.169 1.00 37.19 C +ATOM 37 C SER A 6 -31.155 -24.890 -55.742 1.00 37.19 C +ATOM 38 CB SER A 6 -32.807 -26.764 -56.151 1.00 37.19 C +ATOM 39 O SER A 6 -31.260 -24.304 -56.815 1.00 37.19 O +ATOM 40 OG SER A 6 -33.048 -26.257 -57.451 1.00 37.19 O +ATOM 41 N GLY A 7 -29.992 -24.994 -55.084 1.00 31.28 N +ATOM 42 CA GLY A 7 -28.691 -24.555 -55.614 1.00 31.28 C +ATOM 43 C GLY A 7 -27.843 -23.749 -54.620 1.00 31.28 C +ATOM 44 O GLY A 7 -28.269 -22.708 -54.141 1.00 31.28 O +ATOM 45 N ALA A 8 -26.616 -24.214 -54.350 1.00 32.84 N +ATOM 46 CA ALA A 8 -25.528 -23.451 -53.714 1.00 32.84 C +ATOM 47 C ALA A 8 -25.718 -22.918 -52.265 1.00 32.84 C +ATOM 48 CB ALA A 8 -25.032 -22.387 -54.707 1.00 32.84 C +ATOM 49 O ALA A 8 -25.327 -21.793 -51.960 1.00 32.84 O +ATOM 50 N ALA A 9 -26.188 -23.755 -51.328 1.00 32.84 N +ATOM 51 CA ALA A 9 -26.137 -23.456 -49.881 1.00 32.84 C +ATOM 52 C ALA A 9 -24.931 -24.083 -49.129 1.00 32.84 C +ATOM 53 CB ALA A 9 -27.482 -23.839 -49.254 1.00 32.84 C +ATOM 54 O ALA A 9 -24.692 -23.750 -47.974 1.00 32.84 O +ATOM 55 N GLY A 10 -24.148 -24.964 -49.770 1.00 34.81 N +ATOM 56 CA GLY A 10 -23.084 -25.745 -49.111 1.00 34.81 C +ATOM 57 C GLY A 10 -21.707 -25.076 -48.975 1.00 34.81 C +ATOM 58 O GLY A 10 -20.896 -25.545 -48.188 1.00 34.81 O +ATOM 59 N LEU A 11 -21.420 -23.990 -49.710 1.00 35.78 N +ATOM 60 CA LEU A 11 -20.088 -23.346 -49.715 1.00 35.78 C +ATOM 61 C LEU A 11 -20.011 -22.006 -48.962 1.00 35.78 C +ATOM 62 CB LEU A 11 -19.555 -23.210 -51.161 1.00 35.78 C +ATOM 63 O LEU A 11 -18.920 -21.472 -48.786 1.00 35.78 O +ATOM 64 CG LEU A 11 -18.506 -24.282 -51.522 1.00 35.78 C +ATOM 65 CD1 LEU A 11 -19.164 -25.627 -51.838 1.00 35.78 C +ATOM 66 CD2 LEU A 11 -17.700 -23.840 -52.742 1.00 35.78 C +ATOM 67 N ARG A 12 -21.139 -21.443 -48.506 1.00 35.34 N +ATOM 68 CA ARG A 12 -21.148 -20.131 -47.826 1.00 35.34 C +ATOM 69 C ARG A 12 -21.028 -20.198 -46.303 1.00 35.34 C +ATOM 70 CB ARG A 12 -22.332 -19.271 -48.303 1.00 35.34 C +ATOM 71 O ARG A 12 -20.680 -19.186 -45.709 1.00 35.34 O +ATOM 72 CG ARG A 12 -22.021 -18.651 -49.677 1.00 35.34 C +ATOM 73 CD ARG A 12 -23.127 -17.691 -50.129 1.00 35.34 C +ATOM 74 NE ARG A 12 -22.728 -16.945 -51.341 1.00 35.34 N +ATOM 75 NH1 ARG A 12 -24.598 -15.623 -51.527 1.00 35.34 N +ATOM 76 NH2 ARG A 12 -22.928 -15.375 -52.981 1.00 35.34 N +ATOM 77 CZ ARG A 12 -23.418 -15.990 -51.941 1.00 35.34 C +ATOM 78 N LEU A 13 -21.240 -21.360 -45.678 1.00 36.12 N +ATOM 79 CA LEU A 13 -21.097 -21.501 -44.223 1.00 36.12 C +ATOM 80 C LEU A 13 -19.641 -21.750 -43.782 1.00 36.12 C +ATOM 81 CB LEU A 13 -22.093 -22.553 -43.692 1.00 36.12 C +ATOM 82 O LEU A 13 -19.218 -21.190 -42.777 1.00 36.12 O +ATOM 83 CG LEU A 13 -22.739 -22.133 -42.355 1.00 36.12 C +ATOM 84 CD1 LEU A 13 -23.755 -20.998 -42.542 1.00 36.12 C +ATOM 85 CD2 LEU A 13 -23.486 -23.317 -41.742 1.00 36.12 C +ATOM 86 N LEU A 14 -18.832 -22.475 -44.573 1.00 35.88 N +ATOM 87 CA LEU A 14 -17.384 -22.586 -44.319 1.00 35.88 C +ATOM 88 C LEU A 14 -16.655 -21.241 -44.488 1.00 35.88 C +ATOM 89 CB LEU A 14 -16.736 -23.666 -45.214 1.00 35.88 C +ATOM 90 O LEU A 14 -15.723 -20.951 -43.744 1.00 35.88 O +ATOM 91 CG LEU A 14 -16.419 -24.968 -44.453 1.00 35.88 C +ATOM 92 CD1 LEU A 14 -17.677 -25.810 -44.240 1.00 35.88 C +ATOM 93 CD2 LEU A 14 -15.400 -25.802 -45.229 1.00 35.88 C +ATOM 94 N LEU A 15 -17.104 -20.389 -45.417 1.00 35.56 N +ATOM 95 CA LEU A 15 -16.494 -19.072 -45.639 1.00 35.56 C +ATOM 96 C LEU A 15 -16.750 -18.077 -44.489 1.00 35.56 C +ATOM 97 CB LEU A 15 -16.964 -18.506 -46.996 1.00 35.56 C +ATOM 98 O LEU A 15 -16.005 -17.114 -44.343 1.00 35.56 O +ATOM 99 CG LEU A 15 -15.791 -17.948 -47.824 1.00 35.56 C +ATOM 100 CD1 LEU A 15 -14.994 -19.084 -48.473 1.00 35.56 C +ATOM 101 CD2 LEU A 15 -16.311 -17.042 -48.939 1.00 35.56 C +ATOM 102 N LEU A 16 -17.780 -18.313 -43.668 1.00 38.59 N +ATOM 103 CA LEU A 16 -18.108 -17.507 -42.484 1.00 38.59 C +ATOM 104 C LEU A 16 -17.442 -18.014 -41.194 1.00 38.59 C +ATOM 105 CB LEU A 16 -19.642 -17.375 -42.386 1.00 38.59 C +ATOM 106 O LEU A 16 -17.279 -17.235 -40.260 1.00 38.59 O +ATOM 107 CG LEU A 16 -20.145 -16.146 -43.171 1.00 38.59 C +ATOM 108 CD1 LEU A 16 -21.582 -16.333 -43.655 1.00 38.59 C +ATOM 109 CD2 LEU A 16 -20.106 -14.889 -42.299 1.00 38.59 C +ATOM 110 N LEU A 17 -16.976 -19.267 -41.168 1.00 38.06 N +ATOM 111 CA LEU A 17 -16.152 -19.825 -40.084 1.00 38.06 C +ATOM 112 C LEU A 17 -14.646 -19.536 -40.249 1.00 38.06 C +ATOM 113 CB LEU A 17 -16.466 -21.329 -39.965 1.00 38.06 C +ATOM 114 O LEU A 17 -13.900 -19.623 -39.281 1.00 38.06 O +ATOM 115 CG LEU A 17 -17.734 -21.573 -39.122 1.00 38.06 C +ATOM 116 CD1 LEU A 17 -18.412 -22.885 -39.513 1.00 38.06 C +ATOM 117 CD2 LEU A 17 -17.397 -21.629 -37.630 1.00 38.06 C +ATOM 118 N LEU A 18 -14.203 -19.125 -41.443 1.00 32.81 N +ATOM 119 CA LEU A 18 -12.829 -18.668 -41.713 1.00 32.81 C +ATOM 120 C LEU A 18 -12.610 -17.161 -41.472 1.00 32.81 C +ATOM 121 CB LEU A 18 -12.451 -19.089 -43.146 1.00 32.81 C +ATOM 122 O LEU A 18 -11.479 -16.682 -41.522 1.00 32.81 O +ATOM 123 CG LEU A 18 -12.048 -20.573 -43.234 1.00 32.81 C +ATOM 124 CD1 LEU A 18 -12.149 -21.070 -44.676 1.00 32.81 C +ATOM 125 CD2 LEU A 18 -10.606 -20.782 -42.765 1.00 32.81 C +ATOM 126 N LEU A 19 -13.669 -16.400 -41.181 1.00 32.75 N +ATOM 127 CA LEU A 19 -13.594 -14.949 -40.974 1.00 32.75 C +ATOM 128 C LEU A 19 -13.002 -14.457 -39.626 1.00 32.75 C +ATOM 129 CB LEU A 19 -14.949 -14.314 -41.355 1.00 32.75 C +ATOM 130 O LEU A 19 -12.660 -13.277 -39.575 1.00 32.75 O +ATOM 131 CG LEU A 19 -14.969 -13.897 -42.843 1.00 32.75 C +ATOM 132 CD1 LEU A 19 -16.395 -13.717 -43.363 1.00 32.75 C +ATOM 133 CD2 LEU A 19 -14.244 -12.565 -43.054 1.00 32.75 C +ATOM 134 N PRO A 20 -12.765 -15.287 -38.583 1.00 31.02 N +ATOM 135 CA PRO A 20 -11.866 -14.934 -37.473 1.00 31.02 C +ATOM 136 C PRO A 20 -10.392 -15.306 -37.734 1.00 31.02 C +ATOM 137 CB PRO A 20 -12.402 -15.672 -36.236 1.00 31.02 C +ATOM 138 O PRO A 20 -9.507 -14.816 -37.038 1.00 31.02 O +ATOM 139 CG PRO A 20 -13.660 -16.406 -36.705 1.00 31.02 C +ATOM 140 CD PRO A 20 -13.496 -16.489 -38.219 1.00 31.02 C +ATOM 141 N LEU A 21 -10.112 -16.158 -38.731 1.00 32.09 N +ATOM 142 CA LEU A 21 -8.762 -16.641 -39.076 1.00 32.09 C +ATOM 143 C LEU A 21 -7.996 -15.694 -40.021 1.00 32.09 C +ATOM 144 CB LEU A 21 -8.882 -18.082 -39.617 1.00 32.09 C +ATOM 145 O LEU A 21 -6.823 -15.908 -40.309 1.00 32.09 O +ATOM 146 CG LEU A 21 -8.975 -19.116 -38.476 1.00 32.09 C +ATOM 147 CD1 LEU A 21 -9.760 -20.355 -38.902 1.00 32.09 C +ATOM 148 CD2 LEU A 21 -7.579 -19.563 -38.039 1.00 32.09 C +ATOM 149 N LEU A 22 -8.634 -14.606 -40.461 1.00 28.22 N +ATOM 150 CA LEU A 22 -8.052 -13.531 -41.268 1.00 28.22 C +ATOM 151 C LEU A 22 -7.970 -12.239 -40.434 1.00 28.22 C +ATOM 152 CB LEU A 22 -8.888 -13.390 -42.558 1.00 28.22 C +ATOM 153 O LEU A 22 -8.723 -11.294 -40.659 1.00 28.22 O +ATOM 154 CG LEU A 22 -8.552 -14.468 -43.606 1.00 28.22 C +ATOM 155 CD1 LEU A 22 -9.754 -14.730 -44.513 1.00 28.22 C +ATOM 156 CD2 LEU A 22 -7.379 -14.024 -44.486 1.00 28.22 C +ATOM 157 N GLY A 23 -7.071 -12.203 -39.444 1.00 26.88 N +ATOM 158 CA GLY A 23 -6.935 -11.038 -38.553 1.00 26.88 C +ATOM 159 C GLY A 23 -5.665 -10.989 -37.700 1.00 26.88 C +ATOM 160 O GLY A 23 -5.029 -9.940 -37.627 1.00 26.88 O +ATOM 161 N LYS A 24 -5.238 -12.116 -37.115 1.00 28.52 N +ATOM 162 CA LYS A 24 -3.898 -12.254 -36.521 1.00 28.52 C +ATOM 163 C LYS A 24 -2.935 -12.816 -37.570 1.00 28.52 C +ATOM 164 CB LYS A 24 -3.919 -13.108 -35.231 1.00 28.52 C +ATOM 165 O LYS A 24 -2.604 -13.996 -37.541 1.00 28.52 O +ATOM 166 CG LYS A 24 -4.554 -12.429 -34.000 1.00 28.52 C +ATOM 167 CD LYS A 24 -4.362 -13.305 -32.740 1.00 28.52 C +ATOM 168 CE LYS A 24 -4.970 -12.693 -31.462 1.00 28.52 C +ATOM 169 NZ LYS A 24 -4.736 -13.543 -30.253 1.00 28.52 N +ATOM 170 N VAL A 25 -2.460 -11.968 -38.488 1.00 33.12 N +ATOM 171 CA VAL A 25 -1.145 -12.242 -39.086 1.00 33.12 C +ATOM 172 C VAL A 25 -0.156 -12.076 -37.942 1.00 33.12 C +ATOM 173 CB VAL A 25 -0.791 -11.321 -40.274 1.00 33.12 C +ATOM 174 O VAL A 25 0.090 -10.951 -37.503 1.00 33.12 O +ATOM 175 CG1 VAL A 25 0.617 -11.609 -40.819 1.00 33.12 C +ATOM 176 CG2 VAL A 25 -1.780 -11.522 -41.428 1.00 33.12 C +ATOM 177 N ALA A 26 0.358 -13.193 -37.429 1.00 43.41 N +ATOM 178 CA ALA A 26 1.580 -13.174 -36.652 1.00 43.41 C +ATOM 179 C ALA A 26 2.660 -12.613 -37.582 1.00 43.41 C +ATOM 180 CB ALA A 26 1.889 -14.585 -36.136 1.00 43.41 C +ATOM 181 O ALA A 26 3.150 -13.293 -38.480 1.00 43.41 O +ATOM 182 N LEU A 27 2.938 -11.320 -37.435 1.00 53.97 N +ATOM 183 CA LEU A 27 4.145 -10.716 -37.966 1.00 53.97 C +ATOM 184 C LEU A 27 5.270 -11.292 -37.114 1.00 53.97 C +ATOM 185 CB LEU A 27 4.043 -9.183 -37.847 1.00 53.97 C +ATOM 186 O LEU A 27 5.562 -10.733 -36.059 1.00 53.97 O +ATOM 187 CG LEU A 27 3.081 -8.552 -38.871 1.00 53.97 C +ATOM 188 CD1 LEU A 27 2.188 -7.515 -38.191 1.00 53.97 C +ATOM 189 CD2 LEU A 27 3.855 -7.872 -40.004 1.00 53.97 C +ATOM 190 N GLY A 28 5.830 -12.428 -37.540 1.00 73.12 N +ATOM 191 CA GLY A 28 6.966 -13.038 -36.850 1.00 73.12 C +ATOM 192 C GLY A 28 8.203 -12.136 -36.889 1.00 73.12 C +ATOM 193 O GLY A 28 9.099 -12.217 -36.061 1.00 73.12 O +ATOM 194 N LEU A 29 8.205 -11.146 -37.779 1.00 87.25 N +ATOM 195 CA LEU A 29 9.096 -10.002 -37.698 1.00 87.25 C +ATOM 196 C LEU A 29 8.577 -8.953 -36.702 1.00 87.25 C +ATOM 197 CB LEU A 29 9.265 -9.418 -39.101 1.00 87.25 C +ATOM 198 O LEU A 29 7.512 -8.358 -36.907 1.00 87.25 O +ATOM 199 CG LEU A 29 9.878 -10.398 -40.114 1.00 87.25 C +ATOM 200 CD1 LEU A 29 9.676 -9.787 -41.497 1.00 87.25 C +ATOM 201 CD2 LEU A 29 11.367 -10.619 -39.842 1.00 87.25 C +ATOM 202 N TYR A 30 9.387 -8.627 -35.693 1.00 91.69 N +ATOM 203 CA TYR A 30 9.118 -7.544 -34.746 1.00 91.69 C +ATOM 204 C TYR A 30 10.257 -6.523 -34.692 1.00 91.69 C +ATOM 205 CB TYR A 30 8.770 -8.113 -33.360 1.00 91.69 C +ATOM 206 O TYR A 30 11.434 -6.868 -34.594 1.00 91.69 O +ATOM 207 CG TYR A 30 9.885 -8.830 -32.621 1.00 91.69 C +ATOM 208 CD1 TYR A 30 10.104 -10.206 -32.829 1.00 91.69 C +ATOM 209 CD2 TYR A 30 10.674 -8.129 -31.686 1.00 91.69 C +ATOM 210 CE1 TYR A 30 11.106 -10.877 -32.104 1.00 91.69 C +ATOM 211 CE2 TYR A 30 11.672 -8.802 -30.959 1.00 91.69 C +ATOM 212 OH TYR A 30 12.861 -10.832 -30.477 1.00 91.69 O +ATOM 213 CZ TYR A 30 11.886 -10.183 -31.163 1.00 91.69 C +ATOM 214 N PHE A 31 9.926 -5.227 -34.713 1.00 94.19 N +ATOM 215 CA PHE A 31 10.938 -4.190 -34.492 1.00 94.19 C +ATOM 216 C PHE A 31 11.531 -4.292 -33.081 1.00 94.19 C +ATOM 217 CB PHE A 31 10.369 -2.786 -34.706 1.00 94.19 C +ATOM 218 O PHE A 31 10.794 -4.432 -32.100 1.00 94.19 O +ATOM 219 CG PHE A 31 10.094 -2.405 -36.142 1.00 94.19 C +ATOM 220 CD1 PHE A 31 11.162 -2.035 -36.980 1.00 94.19 C +ATOM 221 CD2 PHE A 31 8.776 -2.360 -36.626 1.00 94.19 C +ATOM 222 CE1 PHE A 31 10.913 -1.630 -38.302 1.00 94.19 C +ATOM 223 CE2 PHE A 31 8.530 -1.966 -37.950 1.00 94.19 C +ATOM 224 CZ PHE A 31 9.596 -1.603 -38.788 1.00 94.19 C +ATOM 225 N SER A 32 12.849 -4.104 -32.953 1.00 94.94 N +ATOM 226 CA SER A 32 13.524 -4.083 -31.643 1.00 94.94 C +ATOM 227 C SER A 32 13.100 -2.904 -30.754 1.00 94.94 C +ATOM 228 CB SER A 32 15.044 -4.069 -31.831 1.00 94.94 C +ATOM 229 O SER A 32 13.324 -2.916 -29.541 1.00 94.94 O +ATOM 230 OG SER A 32 15.523 -2.863 -32.414 1.00 94.94 O +ATOM 231 N ARG A 33 12.496 -1.871 -31.358 1.00 93.69 N +ATOM 232 CA ARG A 33 12.001 -0.637 -30.732 1.00 93.69 C +ATOM 233 C ARG A 33 10.723 -0.171 -31.433 1.00 93.69 C +ATOM 234 CB ARG A 33 13.066 0.467 -30.850 1.00 93.69 C +ATOM 235 O ARG A 33 10.547 -0.397 -32.623 1.00 93.69 O +ATOM 236 CG ARG A 33 14.399 0.129 -30.158 1.00 93.69 C +ATOM 237 CD ARG A 33 15.448 1.229 -30.352 1.00 93.69 C +ATOM 238 NE ARG A 33 14.985 2.544 -29.869 1.00 93.69 N +ATOM 239 NH1 ARG A 33 16.922 3.719 -30.231 1.00 93.69 N +ATOM 240 NH2 ARG A 33 15.145 4.749 -29.371 1.00 93.69 N +ATOM 241 CZ ARG A 33 15.686 3.659 -29.827 1.00 93.69 C +ATOM 242 N ASP A 34 9.861 0.555 -30.732 1.00 91.00 N +ATOM 243 CA ASP A 34 8.692 1.221 -31.329 1.00 91.00 C +ATOM 244 C ASP A 34 8.975 2.658 -31.807 1.00 91.00 C +ATOM 245 CB ASP A 34 7.524 1.176 -30.336 1.00 91.00 C +ATOM 246 O ASP A 34 8.294 3.146 -32.713 1.00 91.00 O +ATOM 247 CG ASP A 34 7.781 1.853 -28.986 1.00 91.00 C +ATOM 248 OD1 ASP A 34 8.950 2.162 -28.661 1.00 91.00 O +ATOM 249 OD2 ASP A 34 6.786 1.962 -28.234 1.00 91.00 O +ATOM 250 N ALA A 35 9.990 3.317 -31.235 1.00 92.44 N +ATOM 251 CA ALA A 35 10.416 4.670 -31.585 1.00 92.44 C +ATOM 252 C ALA A 35 11.933 4.780 -31.845 1.00 92.44 C +ATOM 253 CB ALA A 35 9.957 5.628 -30.479 1.00 92.44 C +ATOM 254 O ALA A 35 12.752 4.523 -30.952 1.00 92.44 O +ATOM 255 N TYR A 36 12.292 5.245 -33.045 1.00 94.62 N +ATOM 256 CA TYR A 36 13.644 5.654 -33.461 1.00 94.62 C +ATOM 257 C TYR A 36 13.722 7.186 -33.580 1.00 94.62 C +ATOM 258 CB TYR A 36 14.015 4.983 -34.792 1.00 94.62 C +ATOM 259 O TYR A 36 12.689 7.832 -33.751 1.00 94.62 O +ATOM 260 CG TYR A 36 14.041 3.464 -34.765 1.00 94.62 C +ATOM 261 CD1 TYR A 36 15.252 2.780 -34.535 1.00 94.62 C +ATOM 262 CD2 TYR A 36 12.855 2.733 -34.978 1.00 94.62 C +ATOM 263 CE1 TYR A 36 15.274 1.370 -34.483 1.00 94.62 C +ATOM 264 CE2 TYR A 36 12.877 1.326 -34.936 1.00 94.62 C +ATOM 265 OH TYR A 36 14.065 -0.717 -34.607 1.00 94.62 O +ATOM 266 CZ TYR A 36 14.081 0.640 -34.678 1.00 94.62 C +ATOM 267 N TRP A 37 14.921 7.767 -33.486 1.00 93.44 N +ATOM 268 CA TRP A 37 15.130 9.218 -33.370 1.00 93.44 C +ATOM 269 C TRP A 37 16.362 9.680 -34.149 1.00 93.44 C +ATOM 270 CB TRP A 37 15.313 9.589 -31.893 1.00 93.44 C +ATOM 271 O TRP A 37 17.396 9.024 -34.059 1.00 93.44 O +ATOM 272 CG TRP A 37 14.097 9.420 -31.042 1.00 93.44 C +ATOM 273 CD1 TRP A 37 13.699 8.277 -30.438 1.00 93.44 C +ATOM 274 CD2 TRP A 37 13.081 10.417 -30.725 1.00 93.44 C +ATOM 275 CE2 TRP A 37 12.090 9.803 -29.904 1.00 93.44 C +ATOM 276 CE3 TRP A 37 12.893 11.776 -31.059 1.00 93.44 C +ATOM 277 NE1 TRP A 37 12.509 8.496 -29.773 1.00 93.44 N +ATOM 278 CH2 TRP A 37 10.831 11.864 -29.750 1.00 93.44 C +ATOM 279 CZ2 TRP A 37 10.980 10.507 -29.414 1.00 93.44 C +ATOM 280 CZ3 TRP A 37 11.779 12.491 -30.580 1.00 93.44 C +ATOM 281 N GLU A 38 16.258 10.819 -34.835 1.00 94.50 N +ATOM 282 CA GLU A 38 17.335 11.428 -35.627 1.00 94.50 C +ATOM 283 C GLU A 38 17.243 12.965 -35.659 1.00 94.50 C +ATOM 284 CB GLU A 38 17.259 10.844 -37.046 1.00 94.50 C +ATOM 285 O GLU A 38 16.166 13.535 -35.446 1.00 94.50 O +ATOM 286 CG GLU A 38 18.426 11.201 -37.975 1.00 94.50 C +ATOM 287 CD GLU A 38 19.759 10.846 -37.313 1.00 94.50 C +ATOM 288 OE1 GLU A 38 20.286 11.725 -36.591 1.00 94.50 O +ATOM 289 OE2 GLU A 38 20.174 9.680 -37.449 1.00 94.50 O +ATOM 290 N LYS A 39 18.362 13.643 -35.942 1.00 92.44 N +ATOM 291 CA LYS A 39 18.451 15.097 -36.142 1.00 92.44 C +ATOM 292 C LYS A 39 18.637 15.445 -37.624 1.00 92.44 C +ATOM 293 CB LYS A 39 19.596 15.684 -35.302 1.00 92.44 C +ATOM 294 O LYS A 39 19.548 14.944 -38.279 1.00 92.44 O +ATOM 295 CG LYS A 39 19.390 15.490 -33.791 1.00 92.44 C +ATOM 296 CD LYS A 39 20.447 16.271 -32.998 1.00 92.44 C +ATOM 297 CE LYS A 39 20.129 16.217 -31.500 1.00 92.44 C +ATOM 298 NZ LYS A 39 21.041 17.073 -30.705 1.00 92.44 N +ATOM 299 N LEU A 40 17.809 16.355 -38.138 1.00 92.06 N +ATOM 300 CA LEU A 40 17.928 16.912 -39.490 1.00 92.06 C +ATOM 301 C LEU A 40 18.310 18.392 -39.438 1.00 92.06 C +ATOM 302 CB LEU A 40 16.628 16.703 -40.286 1.00 92.06 C +ATOM 303 O LEU A 40 17.829 19.134 -38.581 1.00 92.06 O +ATOM 304 CG LEU A 40 16.259 15.235 -40.559 1.00 92.06 C +ATOM 305 CD1 LEU A 40 14.949 15.190 -41.350 1.00 92.06 C +ATOM 306 CD2 LEU A 40 17.317 14.483 -41.366 1.00 92.06 C +ATOM 307 N TYR A 41 19.132 18.814 -40.394 1.00 91.50 N +ATOM 308 CA TYR A 41 19.641 20.180 -40.537 1.00 91.50 C +ATOM 309 C TYR A 41 19.339 20.717 -41.940 1.00 91.50 C +ATOM 310 CB TYR A 41 21.149 20.204 -40.238 1.00 91.50 C +ATOM 311 O TYR A 41 19.054 19.950 -42.865 1.00 91.50 O +ATOM 312 CG TYR A 41 21.516 19.891 -38.799 1.00 91.50 C +ATOM 313 CD1 TYR A 41 21.631 20.936 -37.863 1.00 91.50 C +ATOM 314 CD2 TYR A 41 21.736 18.560 -38.391 1.00 91.50 C +ATOM 315 CE1 TYR A 41 21.962 20.657 -36.523 1.00 91.50 C +ATOM 316 CE2 TYR A 41 22.079 18.275 -37.055 1.00 91.50 C +ATOM 317 OH TYR A 41 22.508 19.051 -34.825 1.00 91.50 O +ATOM 318 CZ TYR A 41 22.189 19.323 -36.118 1.00 91.50 C +ATOM 319 N VAL A 42 19.410 22.036 -42.111 1.00 88.62 N +ATOM 320 CA VAL A 42 19.300 22.666 -43.436 1.00 88.62 C +ATOM 321 C VAL A 42 20.549 22.354 -44.274 1.00 88.62 C +ATOM 322 CB VAL A 42 19.022 24.181 -43.337 1.00 88.62 C +ATOM 323 O VAL A 42 21.630 22.108 -43.737 1.00 88.62 O +ATOM 324 CG1 VAL A 42 18.570 24.756 -44.684 1.00 88.62 C +ATOM 325 CG2 VAL A 42 17.865 24.472 -42.373 1.00 88.62 C +ATOM 326 N ASP A 43 20.380 22.311 -45.593 1.00 87.12 N +ATOM 327 CA ASP A 43 21.411 22.079 -46.612 1.00 87.12 C +ATOM 328 C ASP A 43 22.122 20.715 -46.536 1.00 87.12 C +ATOM 329 CB ASP A 43 22.383 23.266 -46.704 1.00 87.12 C +ATOM 330 O ASP A 43 23.124 20.493 -47.218 1.00 87.12 O +ATOM 331 CG ASP A 43 21.654 24.606 -46.773 1.00 87.12 C +ATOM 332 OD1 ASP A 43 20.793 24.755 -47.675 1.00 87.12 O +ATOM 333 OD2 ASP A 43 21.942 25.445 -45.887 1.00 87.12 O +ATOM 334 N GLN A 44 21.587 19.757 -45.768 1.00 89.94 N +ATOM 335 CA GLN A 44 22.049 18.368 -45.835 1.00 89.94 C +ATOM 336 C GLN A 44 21.872 17.829 -47.261 1.00 89.94 C +ATOM 337 CB GLN A 44 21.329 17.482 -44.808 1.00 89.94 C +ATOM 338 O GLN A 44 20.804 17.960 -47.867 1.00 89.94 O +ATOM 339 CG GLN A 44 21.791 17.777 -43.375 1.00 89.94 C +ATOM 340 CD GLN A 44 21.125 16.865 -42.346 1.00 89.94 C +ATOM 341 NE2 GLN A 44 21.858 16.339 -41.388 1.00 89.94 N +ATOM 342 OE1 GLN A 44 19.930 16.626 -42.349 1.00 89.94 O +ATOM 343 N ALA A 45 22.942 17.248 -47.805 1.00 91.75 N +ATOM 344 CA ALA A 45 23.005 16.810 -49.191 1.00 91.75 C +ATOM 345 C ALA A 45 22.161 15.549 -49.451 1.00 91.75 C +ATOM 346 CB ALA A 45 24.477 16.608 -49.576 1.00 91.75 C +ATOM 347 O ALA A 45 21.933 14.716 -48.572 1.00 91.75 O +ATOM 348 N ALA A 46 21.740 15.367 -50.705 1.00 92.94 N +ATOM 349 CA ALA A 46 21.233 14.074 -51.148 1.00 92.94 C +ATOM 350 C ALA A 46 22.336 13.003 -51.021 1.00 92.94 C +ATOM 351 CB ALA A 46 20.706 14.201 -52.581 1.00 92.94 C +ATOM 352 O ALA A 46 23.513 13.275 -51.256 1.00 92.94 O +ATOM 353 N GLY A 47 21.950 11.787 -50.642 1.00 93.56 N +ATOM 354 CA GLY A 47 22.851 10.674 -50.347 1.00 93.56 C +ATOM 355 C GLY A 47 23.304 10.576 -48.886 1.00 93.56 C +ATOM 356 O GLY A 47 23.877 9.551 -48.529 1.00 93.56 O +ATOM 357 N THR A 48 23.037 11.568 -48.022 1.00 95.19 N +ATOM 358 CA THR A 48 23.396 11.480 -46.592 1.00 95.19 C +ATOM 359 C THR A 48 22.644 10.325 -45.906 1.00 95.19 C +ATOM 360 CB THR A 48 23.126 12.797 -45.848 1.00 95.19 C +ATOM 361 O THR A 48 21.407 10.346 -45.883 1.00 95.19 O +ATOM 362 CG2 THR A 48 23.548 12.755 -44.379 1.00 95.19 C +ATOM 363 OG1 THR A 48 23.884 13.833 -46.428 1.00 95.19 O +ATOM 364 N PRO A 49 23.345 9.328 -45.328 1.00 96.12 N +ATOM 365 CA PRO A 49 22.714 8.263 -44.554 1.00 96.12 C +ATOM 366 C PRO A 49 22.245 8.794 -43.195 1.00 96.12 C +ATOM 367 CB PRO A 49 23.765 7.154 -44.410 1.00 96.12 C +ATOM 368 O PRO A 49 22.931 9.611 -42.583 1.00 96.12 O +ATOM 369 CG PRO A 49 24.907 7.560 -45.339 1.00 96.12 C +ATOM 370 CD PRO A 49 24.777 9.075 -45.411 1.00 96.12 C +ATOM 371 N LEU A 50 21.089 8.323 -42.726 1.00 95.88 N +ATOM 372 CA LEU A 50 20.460 8.757 -41.476 1.00 95.88 C +ATOM 373 C LEU A 50 20.620 7.682 -40.392 1.00 95.88 C +ATOM 374 CB LEU A 50 18.997 9.179 -41.739 1.00 95.88 C +ATOM 375 O LEU A 50 21.501 7.781 -39.549 1.00 95.88 O +ATOM 376 CG LEU A 50 18.826 10.333 -42.750 1.00 95.88 C +ATOM 377 CD1 LEU A 50 17.340 10.598 -42.996 1.00 95.88 C +ATOM 378 CD2 LEU A 50 19.473 11.634 -42.274 1.00 95.88 C +ATOM 379 N LEU A 51 19.831 6.605 -40.443 1.00 95.50 N +ATOM 380 CA LEU A 51 19.818 5.584 -39.388 1.00 95.50 C +ATOM 381 C LEU A 51 19.415 4.201 -39.898 1.00 95.50 C +ATOM 382 CB LEU A 51 18.883 6.048 -38.254 1.00 95.50 C +ATOM 383 O LEU A 51 18.709 4.084 -40.899 1.00 95.50 O +ATOM 384 CG LEU A 51 17.396 6.142 -38.666 1.00 95.50 C +ATOM 385 CD1 LEU A 51 16.565 4.950 -38.181 1.00 95.50 C +ATOM 386 CD2 LEU A 51 16.782 7.409 -38.095 1.00 95.50 C +ATOM 387 N TYR A 52 19.796 3.171 -39.142 1.00 95.56 N +ATOM 388 CA TYR A 52 19.335 1.794 -39.324 1.00 95.56 C +ATOM 389 C TYR A 52 18.132 1.475 -38.425 1.00 95.56 C +ATOM 390 CB TYR A 52 20.482 0.821 -39.024 1.00 95.56 C +ATOM 391 O TYR A 52 18.215 1.576 -37.194 1.00 95.56 O +ATOM 392 CG TYR A 52 21.605 0.839 -40.038 1.00 95.56 C +ATOM 393 CD1 TYR A 52 21.387 0.277 -41.310 1.00 95.56 C +ATOM 394 CD2 TYR A 52 22.868 1.372 -39.707 1.00 95.56 C +ATOM 395 CE1 TYR A 52 22.426 0.252 -42.256 1.00 95.56 C +ATOM 396 CE2 TYR A 52 23.907 1.354 -40.657 1.00 95.56 C +ATOM 397 OH TYR A 52 24.676 0.792 -42.863 1.00 95.56 O +ATOM 398 CZ TYR A 52 23.683 0.799 -41.936 1.00 95.56 C +ATOM 399 N VAL A 53 17.031 1.011 -39.019 1.00 94.88 N +ATOM 400 CA VAL A 53 15.986 0.279 -38.281 1.00 94.88 C +ATOM 401 C VAL A 53 16.337 -1.206 -38.199 1.00 94.88 C +ATOM 402 CB VAL A 53 14.573 0.493 -38.847 1.00 94.88 C +ATOM 403 O VAL A 53 17.032 -1.731 -39.058 1.00 94.88 O +ATOM 404 CG1 VAL A 53 14.125 1.944 -38.639 1.00 94.88 C +ATOM 405 CG2 VAL A 53 14.430 0.136 -40.327 1.00 94.88 C +ATOM 406 N HIS A 54 15.875 -1.880 -37.147 1.00 95.00 N +ATOM 407 CA HIS A 54 16.189 -3.287 -36.895 1.00 95.00 C +ATOM 408 C HIS A 54 14.912 -4.053 -36.559 1.00 95.00 C +ATOM 409 CB HIS A 54 17.190 -3.414 -35.739 1.00 95.00 C +ATOM 410 O HIS A 54 14.142 -3.624 -35.693 1.00 95.00 O +ATOM 411 CG HIS A 54 18.573 -2.891 -36.030 1.00 95.00 C +ATOM 412 CD2 HIS A 54 19.690 -3.659 -36.210 1.00 95.00 C +ATOM 413 ND1 HIS A 54 18.969 -1.572 -36.115 1.00 95.00 N +ATOM 414 CE1 HIS A 54 20.293 -1.556 -36.334 1.00 95.00 C +ATOM 415 NE2 HIS A 54 20.781 -2.801 -36.361 1.00 95.00 N +ATOM 416 N ALA A 55 14.721 -5.199 -37.204 1.00 93.94 N +ATOM 417 CA ALA A 55 13.672 -6.149 -36.875 1.00 93.94 C +ATOM 418 C ALA A 55 14.290 -7.513 -36.573 1.00 93.94 C +ATOM 419 CB ALA A 55 12.637 -6.185 -37.996 1.00 93.94 C +ATOM 420 O ALA A 55 15.132 -8.006 -37.323 1.00 93.94 O +ATOM 421 N LEU A 56 13.878 -8.079 -35.446 1.00 93.94 N +ATOM 422 CA LEU A 56 14.157 -9.454 -35.065 1.00 93.94 C +ATOM 423 C LEU A 56 13.069 -10.358 -35.658 1.00 93.94 C +ATOM 424 CB LEU A 56 14.249 -9.528 -33.532 1.00 93.94 C +ATOM 425 O LEU A 56 12.019 -9.874 -36.084 1.00 93.94 O +ATOM 426 CG LEU A 56 15.454 -8.781 -32.925 1.00 93.94 C +ATOM 427 CD1 LEU A 56 15.373 -8.807 -31.398 1.00 93.94 C +ATOM 428 CD2 LEU A 56 16.787 -9.410 -33.338 1.00 93.94 C +ATOM 429 N ARG A 57 13.360 -11.656 -35.722 1.00 91.38 N +ATOM 430 CA ARG A 57 12.544 -12.681 -36.380 1.00 91.38 C +ATOM 431 C ARG A 57 12.120 -13.747 -35.377 1.00 91.38 C +ATOM 432 CB ARG A 57 13.306 -13.276 -37.583 1.00 91.38 C +ATOM 433 O ARG A 57 12.935 -14.162 -34.553 1.00 91.38 O +ATOM 434 CG ARG A 57 14.647 -13.920 -37.190 1.00 91.38 C +ATOM 435 CD ARG A 57 15.416 -14.495 -38.389 1.00 91.38 C +ATOM 436 NE ARG A 57 16.641 -15.199 -37.943 1.00 91.38 N +ATOM 437 NH1 ARG A 57 15.594 -17.001 -37.001 1.00 91.38 N +ATOM 438 NH2 ARG A 57 17.806 -16.813 -36.825 1.00 91.38 N +ATOM 439 CZ ARG A 57 16.677 -16.333 -37.266 1.00 91.38 C +ATOM 440 N ASP A 58 10.893 -14.225 -35.503 1.00 86.94 N +ATOM 441 CA ASP A 58 10.325 -15.279 -34.670 1.00 86.94 C +ATOM 442 C ASP A 58 10.634 -16.662 -35.271 1.00 86.94 C +ATOM 443 CB ASP A 58 8.810 -15.045 -34.477 1.00 86.94 C +ATOM 444 O ASP A 58 10.769 -17.632 -34.524 1.00 86.94 O +ATOM 445 CG ASP A 58 8.442 -13.842 -33.581 1.00 86.94 C +ATOM 446 OD1 ASP A 58 9.333 -13.347 -32.859 1.00 86.94 O +ATOM 447 OD2 ASP A 58 7.252 -13.447 -33.551 1.00 86.94 O +ATOM 448 N ALA A 59 10.826 -16.750 -36.596 1.00 85.50 N +ATOM 449 CA ALA A 59 11.195 -17.968 -37.328 1.00 85.50 C +ATOM 450 C ALA A 59 12.498 -17.812 -38.164 1.00 85.50 C +ATOM 451 CB ALA A 59 9.978 -18.399 -38.160 1.00 85.50 C +ATOM 452 O ALA A 59 12.968 -16.697 -38.405 1.00 85.50 O +ATOM 453 N PRO A 60 13.177 -18.910 -38.564 1.00 83.75 N +ATOM 454 CA PRO A 60 14.414 -18.868 -39.365 1.00 83.75 C +ATOM 455 C PRO A 60 14.226 -18.563 -40.854 1.00 83.75 C +ATOM 456 CB PRO A 60 15.096 -20.216 -39.124 1.00 83.75 C +ATOM 457 O PRO A 60 15.180 -18.118 -41.487 1.00 83.75 O +ATOM 458 CG PRO A 60 13.917 -21.155 -38.879 1.00 83.75 C +ATOM 459 CD PRO A 60 12.908 -20.278 -38.142 1.00 83.75 C +ATOM 460 N GLU A 61 13.030 -18.758 -41.406 1.00 84.69 N +ATOM 461 CA GLU A 61 12.702 -18.429 -42.803 1.00 84.69 C +ATOM 462 C GLU A 61 12.377 -16.943 -43.062 1.00 84.69 C +ATOM 463 CB GLU A 61 11.556 -19.338 -43.276 1.00 84.69 C +ATOM 464 O GLU A 61 12.212 -16.538 -44.213 1.00 84.69 O +ATOM 465 CG GLU A 61 10.276 -19.229 -42.415 1.00 84.69 C +ATOM 466 CD GLU A 61 9.838 -20.578 -41.824 1.00 84.69 C +ATOM 467 OE1 GLU A 61 8.618 -20.851 -41.838 1.00 84.69 O +ATOM 468 OE2 GLU A 61 10.731 -21.314 -41.339 1.00 84.69 O +ATOM 469 N GLU A 62 12.271 -16.117 -42.019 1.00 84.44 N +ATOM 470 CA GLU A 62 11.801 -14.737 -42.149 1.00 84.44 C +ATOM 471 C GLU A 62 12.925 -13.750 -42.481 1.00 84.44 C +ATOM 472 CB GLU A 62 11.065 -14.284 -40.888 1.00 84.44 C +ATOM 473 O GLU A 62 13.910 -13.619 -41.751 1.00 84.44 O +ATOM 474 CG GLU A 62 9.854 -15.158 -40.569 1.00 84.44 C +ATOM 475 CD GLU A 62 9.113 -14.587 -39.360 1.00 84.44 C +ATOM 476 OE1 GLU A 62 7.970 -14.115 -39.558 1.00 84.44 O +ATOM 477 OE2 GLU A 62 9.718 -14.568 -38.261 1.00 84.44 O +ATOM 478 N VAL A 63 12.727 -12.985 -43.559 1.00 86.19 N +ATOM 479 CA VAL A 63 13.613 -11.891 -43.975 1.00 86.19 C +ATOM 480 C VAL A 63 12.903 -10.554 -43.739 1.00 86.19 C +ATOM 481 CB VAL A 63 14.043 -12.041 -45.447 1.00 86.19 C +ATOM 482 O VAL A 63 11.816 -10.346 -44.289 1.00 86.19 O +ATOM 483 CG1 VAL A 63 15.011 -10.924 -45.860 1.00 86.19 C +ATOM 484 CG2 VAL A 63 14.750 -13.383 -45.687 1.00 86.19 C +ATOM 485 N PRO A 64 13.472 -9.628 -42.944 1.00 86.94 N +ATOM 486 CA PRO A 64 12.876 -8.317 -42.740 1.00 86.94 C +ATOM 487 C PRO A 64 12.918 -7.490 -44.027 1.00 86.94 C +ATOM 488 CB PRO A 64 13.658 -7.681 -41.590 1.00 86.94 C +ATOM 489 O PRO A 64 13.982 -7.227 -44.572 1.00 86.94 O +ATOM 490 CG PRO A 64 15.036 -8.332 -41.692 1.00 86.94 C +ATOM 491 CD PRO A 64 14.717 -9.740 -42.196 1.00 86.94 C +ATOM 492 N SER A 65 11.744 -7.054 -44.485 1.00 88.81 N +ATOM 493 CA SER A 65 11.584 -6.084 -45.572 1.00 88.81 C +ATOM 494 C SER A 65 10.934 -4.823 -45.013 1.00 88.81 C +ATOM 495 CB SER A 65 10.760 -6.693 -46.710 1.00 88.81 C +ATOM 496 O SER A 65 9.842 -4.888 -44.430 1.00 88.81 O +ATOM 497 OG SER A 65 10.409 -5.720 -47.678 1.00 88.81 O +ATOM 498 N PHE A 66 11.618 -3.688 -45.162 1.00 91.62 N +ATOM 499 CA PHE A 66 11.215 -2.409 -44.580 1.00 91.62 C +ATOM 500 C PHE A 66 10.607 -1.473 -45.625 1.00 91.62 C +ATOM 501 CB PHE A 66 12.418 -1.730 -43.915 1.00 91.62 C +ATOM 502 O PHE A 66 11.248 -1.139 -46.618 1.00 91.62 O +ATOM 503 CG PHE A 66 13.143 -2.557 -42.878 1.00 91.62 C +ATOM 504 CD1 PHE A 66 12.661 -2.625 -41.558 1.00 91.62 C +ATOM 505 CD2 PHE A 66 14.322 -3.241 -43.225 1.00 91.62 C +ATOM 506 CE1 PHE A 66 13.374 -3.351 -40.585 1.00 91.62 C +ATOM 507 CE2 PHE A 66 15.025 -3.976 -42.260 1.00 91.62 C +ATOM 508 CZ PHE A 66 14.558 -4.024 -40.936 1.00 91.62 C +ATOM 509 N ARG A 67 9.400 -0.955 -45.363 1.00 90.00 N +ATOM 510 CA ARG A 67 8.757 0.055 -46.225 1.00 90.00 C +ATOM 511 C ARG A 67 8.348 1.297 -45.452 1.00 90.00 C +ATOM 512 CB ARG A 67 7.556 -0.546 -46.956 1.00 90.00 C +ATOM 513 O ARG A 67 7.789 1.206 -44.358 1.00 90.00 O +ATOM 514 CG ARG A 67 7.958 -1.685 -47.913 1.00 90.00 C +ATOM 515 CD ARG A 67 6.737 -2.207 -48.675 1.00 90.00 C +ATOM 516 NE ARG A 67 5.689 -2.635 -47.730 1.00 90.00 N +ATOM 517 NH1 ARG A 67 3.849 -2.496 -49.091 1.00 90.00 N +ATOM 518 NH2 ARG A 67 3.629 -3.026 -46.930 1.00 90.00 N +ATOM 519 CZ ARG A 67 4.392 -2.693 -47.924 1.00 90.00 C +ATOM 520 N LEU A 68 8.570 2.466 -46.053 1.00 91.19 N +ATOM 521 CA LEU A 68 8.119 3.744 -45.505 1.00 91.19 C +ATOM 522 C LEU A 68 6.624 3.975 -45.770 1.00 91.19 C +ATOM 523 CB LEU A 68 8.968 4.912 -46.052 1.00 91.19 C +ATOM 524 O LEU A 68 6.107 3.729 -46.862 1.00 91.19 O +ATOM 525 CG LEU A 68 10.463 4.857 -45.691 1.00 91.19 C +ATOM 526 CD1 LEU A 68 11.210 6.048 -46.286 1.00 91.19 C +ATOM 527 CD2 LEU A 68 10.701 4.854 -44.182 1.00 91.19 C +ATOM 528 N GLY A 69 5.940 4.524 -44.768 1.00 88.31 N +ATOM 529 CA GLY A 69 4.652 5.182 -44.947 1.00 88.31 C +ATOM 530 C GLY A 69 4.788 6.382 -45.884 1.00 88.31 C +ATOM 531 O GLY A 69 5.800 7.084 -45.882 1.00 88.31 O +ATOM 532 N GLN A 70 3.749 6.629 -46.674 1.00 88.19 N +ATOM 533 CA GLN A 70 3.781 7.587 -47.777 1.00 88.19 C +ATOM 534 C GLN A 70 3.743 9.041 -47.300 1.00 88.19 C +ATOM 535 CB GLN A 70 2.617 7.287 -48.737 1.00 88.19 C +ATOM 536 O GLN A 70 4.090 9.944 -48.051 1.00 88.19 O +ATOM 537 CG GLN A 70 2.688 5.871 -49.337 1.00 88.19 C +ATOM 538 CD GLN A 70 3.991 5.627 -50.094 1.00 88.19 C +ATOM 539 NE2 GLN A 70 4.808 4.670 -49.712 1.00 88.19 N +ATOM 540 OE1 GLN A 70 4.321 6.321 -51.033 1.00 88.19 O +ATOM 541 N HIS A 71 3.352 9.302 -46.050 1.00 90.56 N +ATOM 542 CA HIS A 71 3.237 10.658 -45.514 1.00 90.56 C +ATOM 543 C HIS A 71 4.235 10.958 -44.394 1.00 90.56 C +ATOM 544 CB HIS A 71 1.803 10.917 -45.050 1.00 90.56 C +ATOM 545 O HIS A 71 4.383 10.179 -43.453 1.00 90.56 O +ATOM 546 CG HIS A 71 0.767 10.752 -46.132 1.00 90.56 C +ATOM 547 CD2 HIS A 71 -0.256 9.851 -46.127 1.00 90.56 C +ATOM 548 ND1 HIS A 71 0.671 11.456 -47.310 1.00 90.56 N +ATOM 549 CE1 HIS A 71 -0.403 10.999 -47.979 1.00 90.56 C +ATOM 550 NE2 HIS A 71 -1.039 10.055 -47.264 1.00 90.56 N +ATOM 551 N LEU A 72 4.812 12.161 -44.441 1.00 90.69 N +ATOM 552 CA LEU A 72 5.406 12.829 -43.287 1.00 90.69 C +ATOM 553 C LEU A 72 4.287 13.251 -42.330 1.00 90.69 C +ATOM 554 CB LEU A 72 6.209 14.059 -43.748 1.00 90.69 C +ATOM 555 O LEU A 72 3.390 14.021 -42.699 1.00 90.69 O +ATOM 556 CG LEU A 72 7.525 13.721 -44.467 1.00 90.69 C +ATOM 557 CD1 LEU A 72 8.060 14.979 -45.144 1.00 90.69 C +ATOM 558 CD2 LEU A 72 8.597 13.223 -43.497 1.00 90.69 C +ATOM 559 N TYR A 73 4.349 12.756 -41.099 1.00 90.19 N +ATOM 560 CA TYR A 73 3.426 13.116 -40.032 1.00 90.19 C +ATOM 561 C TYR A 73 4.045 14.192 -39.135 1.00 90.19 C +ATOM 562 CB TYR A 73 3.020 11.866 -39.243 1.00 90.19 C +ATOM 563 O TYR A 73 5.185 14.069 -38.700 1.00 90.19 O +ATOM 564 CG TYR A 73 2.143 10.895 -40.014 1.00 90.19 C +ATOM 565 CD1 TYR A 73 0.746 10.981 -39.890 1.00 90.19 C +ATOM 566 CD2 TYR A 73 2.708 9.940 -40.882 1.00 90.19 C +ATOM 567 CE1 TYR A 73 -0.084 10.127 -40.634 1.00 90.19 C +ATOM 568 CE2 TYR A 73 1.882 9.109 -41.668 1.00 90.19 C +ATOM 569 OH TYR A 73 -0.369 8.399 -42.225 1.00 90.19 O +ATOM 570 CZ TYR A 73 0.480 9.218 -41.553 1.00 90.19 C +ATOM 571 N GLY A 74 3.287 15.246 -38.856 1.00 84.94 N +ATOM 572 CA GLY A 74 3.614 16.266 -37.866 1.00 84.94 C +ATOM 573 C GLY A 74 3.037 15.928 -36.494 1.00 84.94 C +ATOM 574 O GLY A 74 2.746 14.770 -36.167 1.00 84.94 O +ATOM 575 N THR A 75 2.817 16.963 -35.689 1.00 80.56 N +ATOM 576 CA THR A 75 2.268 16.818 -34.337 1.00 80.56 C +ATOM 577 C THR A 75 0.836 16.247 -34.378 1.00 80.56 C +ATOM 578 CB THR A 75 2.337 18.152 -33.567 1.00 80.56 C +ATOM 579 O THR A 75 0.081 16.466 -35.329 1.00 80.56 O +ATOM 580 CG2 THR A 75 2.539 17.929 -32.069 1.00 80.56 C +ATOM 581 OG1 THR A 75 3.440 18.937 -33.977 1.00 80.56 O +ATOM 582 N TYR A 76 0.464 15.466 -33.357 1.00 78.38 N +ATOM 583 CA TYR A 76 -0.879 14.881 -33.180 1.00 78.38 C +ATOM 584 C TYR A 76 -1.441 14.125 -34.400 1.00 78.38 C +ATOM 585 CB TYR A 76 -1.844 15.925 -32.603 1.00 78.38 C +ATOM 586 O TYR A 76 -2.618 14.226 -34.730 1.00 78.38 O +ATOM 587 CG TYR A 76 -1.357 16.487 -31.284 1.00 78.38 C +ATOM 588 CD1 TYR A 76 -1.423 15.703 -30.117 1.00 78.38 C +ATOM 589 CD2 TYR A 76 -0.786 17.769 -31.235 1.00 78.38 C +ATOM 590 CE1 TYR A 76 -0.922 16.206 -28.901 1.00 78.38 C +ATOM 591 CE2 TYR A 76 -0.274 18.274 -30.019 1.00 78.38 C +ATOM 592 OH TYR A 76 0.105 17.973 -27.659 1.00 78.38 O +ATOM 593 CZ TYR A 76 -0.358 17.498 -28.844 1.00 78.38 C +ATOM 594 N ARG A 77 -0.598 13.322 -35.072 1.00 80.75 N +ATOM 595 CA ARG A 77 -1.004 12.455 -36.205 1.00 80.75 C +ATOM 596 C ARG A 77 -1.443 13.217 -37.467 1.00 80.75 C +ATOM 597 CB ARG A 77 -2.067 11.447 -35.706 1.00 80.75 C +ATOM 598 O ARG A 77 -1.959 12.601 -38.400 1.00 80.75 O +ATOM 599 CG ARG A 77 -2.048 10.077 -36.392 1.00 80.75 C +ATOM 600 CD ARG A 77 -3.214 9.223 -35.861 1.00 80.75 C +ATOM 601 NE ARG A 77 -2.803 7.823 -35.663 1.00 80.75 N +ATOM 602 NH1 ARG A 77 -4.857 6.790 -35.883 1.00 80.75 N +ATOM 603 NH2 ARG A 77 -3.040 5.586 -35.475 1.00 80.75 N +ATOM 604 CZ ARG A 77 -3.574 6.753 -35.672 1.00 80.75 C +ATOM 605 N THR A 78 -1.173 14.519 -37.535 1.00 82.12 N +ATOM 606 CA THR A 78 -1.436 15.367 -38.705 1.00 82.12 C +ATOM 607 C THR A 78 -0.554 14.949 -39.881 1.00 82.12 C +ATOM 608 CB THR A 78 -1.176 16.845 -38.358 1.00 82.12 C +ATOM 609 O THR A 78 0.662 14.884 -39.741 1.00 82.12 O +ATOM 610 CG2 THR A 78 -1.626 17.798 -39.465 1.00 82.12 C +ATOM 611 OG1 THR A 78 -1.918 17.192 -37.214 1.00 82.12 O +ATOM 612 N ARG A 79 -1.132 14.683 -41.059 1.00 89.62 N +ATOM 613 CA ARG A 79 -0.364 14.481 -42.304 1.00 89.62 C +ATOM 614 C ARG A 79 0.063 15.842 -42.862 1.00 89.62 C +ATOM 615 CB ARG A 79 -1.206 13.708 -43.335 1.00 89.62 C +ATOM 616 O ARG A 79 -0.798 16.690 -43.084 1.00 89.62 O +ATOM 617 CG ARG A 79 -1.406 12.231 -42.963 1.00 89.62 C +ATOM 618 CD ARG A 79 -2.375 11.562 -43.948 1.00 89.62 C +ATOM 619 NE ARG A 79 -2.406 10.091 -43.804 1.00 89.62 N +ATOM 620 NH1 ARG A 79 -4.116 9.689 -45.288 1.00 89.62 N +ATOM 621 NH2 ARG A 79 -2.883 7.991 -44.555 1.00 89.62 N +ATOM 622 CZ ARG A 79 -3.138 9.267 -44.536 1.00 89.62 C +ATOM 623 N LEU A 80 1.359 16.040 -43.103 1.00 88.25 N +ATOM 624 CA LEU A 80 1.912 17.298 -43.626 1.00 88.25 C +ATOM 625 C LEU A 80 2.090 17.244 -45.145 1.00 88.25 C +ATOM 626 CB LEU A 80 3.260 17.603 -42.946 1.00 88.25 C +ATOM 627 O LEU A 80 1.540 18.055 -45.891 1.00 88.25 O +ATOM 628 CG LEU A 80 3.209 17.731 -41.417 1.00 88.25 C +ATOM 629 CD1 LEU A 80 4.626 17.952 -40.902 1.00 88.25 C +ATOM 630 CD2 LEU A 80 2.339 18.897 -40.960 1.00 88.25 C +ATOM 631 N HIS A 81 2.858 16.273 -45.625 1.00 90.25 N +ATOM 632 CA HIS A 81 3.165 16.098 -47.040 1.00 90.25 C +ATOM 633 C HIS A 81 3.405 14.617 -47.326 1.00 90.25 C +ATOM 634 CB HIS A 81 4.390 16.958 -47.412 1.00 90.25 C +ATOM 635 O HIS A 81 3.679 13.836 -46.420 1.00 90.25 O +ATOM 636 CG HIS A 81 4.488 17.303 -48.878 1.00 90.25 C +ATOM 637 CD2 HIS A 81 4.251 18.527 -49.438 1.00 90.25 C +ATOM 638 ND1 HIS A 81 4.839 16.462 -49.907 1.00 90.25 N +ATOM 639 CE1 HIS A 81 4.760 17.145 -51.062 1.00 90.25 C +ATOM 640 NE2 HIS A 81 4.377 18.416 -50.827 1.00 90.25 N +ATOM 641 N GLU A 82 3.313 14.230 -48.589 1.00 91.19 N +ATOM 642 CA GLU A 82 3.904 12.984 -49.069 1.00 91.19 C +ATOM 643 C GLU A 82 5.435 13.019 -48.913 1.00 91.19 C +ATOM 644 CB GLU A 82 3.465 12.813 -50.517 1.00 91.19 C +ATOM 645 O GLU A 82 6.058 14.068 -49.123 1.00 91.19 O +ATOM 646 CG GLU A 82 3.782 11.442 -51.118 1.00 91.19 C +ATOM 647 CD GLU A 82 3.089 11.296 -52.478 1.00 91.19 C +ATOM 648 OE1 GLU A 82 2.750 10.151 -52.834 1.00 91.19 O +ATOM 649 OE2 GLU A 82 2.837 12.353 -53.106 1.00 91.19 O +ATOM 650 N ASN A 83 6.044 11.907 -48.513 1.00 91.94 N +ATOM 651 CA ASN A 83 7.473 11.825 -48.246 1.00 91.94 C +ATOM 652 C ASN A 83 8.281 11.810 -49.554 1.00 91.94 C +ATOM 653 CB ASN A 83 7.745 10.586 -47.385 1.00 91.94 C +ATOM 654 O ASN A 83 8.354 10.795 -50.235 1.00 91.94 O +ATOM 655 CG ASN A 83 9.234 10.400 -47.151 1.00 91.94 C +ATOM 656 ND2 ASN A 83 9.646 9.175 -46.955 1.00 91.94 N +ATOM 657 OD1 ASN A 83 10.020 11.343 -47.167 1.00 91.94 O +ATOM 658 N ASN A 84 8.908 12.942 -49.879 1.00 91.25 N +ATOM 659 CA ASN A 84 9.722 13.112 -51.087 1.00 91.25 C +ATOM 660 C ASN A 84 11.231 13.254 -50.806 1.00 91.25 C +ATOM 661 CB ASN A 84 9.170 14.317 -51.866 1.00 91.25 C +ATOM 662 O ASN A 84 12.012 13.379 -51.750 1.00 91.25 O +ATOM 663 CG ASN A 84 7.858 13.994 -52.551 1.00 91.25 C +ATOM 664 ND2 ASN A 84 6.730 14.342 -51.985 1.00 91.25 N +ATOM 665 OD1 ASN A 84 7.832 13.422 -53.619 1.00 91.25 O +ATOM 666 N TRP A 85 11.643 13.266 -49.532 1.00 92.12 N +ATOM 667 CA TRP A 85 13.016 13.591 -49.122 1.00 92.12 C +ATOM 668 C TRP A 85 13.763 12.404 -48.520 1.00 92.12 C +ATOM 669 CB TRP A 85 13.017 14.761 -48.132 1.00 92.12 C +ATOM 670 O TRP A 85 14.963 12.297 -48.743 1.00 92.12 O +ATOM 671 CG TRP A 85 12.446 16.050 -48.640 1.00 92.12 C +ATOM 672 CD1 TRP A 85 13.155 17.073 -49.173 1.00 92.12 C +ATOM 673 CD2 TRP A 85 11.055 16.493 -48.626 1.00 92.12 C +ATOM 674 CE2 TRP A 85 10.997 17.817 -49.156 1.00 92.12 C +ATOM 675 CE3 TRP A 85 9.836 15.914 -48.208 1.00 92.12 C +ATOM 676 NE1 TRP A 85 12.304 18.124 -49.469 1.00 92.12 N +ATOM 677 CH2 TRP A 85 8.598 17.926 -48.834 1.00 92.12 C +ATOM 678 CZ2 TRP A 85 9.794 18.531 -49.256 1.00 92.12 C +ATOM 679 CZ3 TRP A 85 8.618 16.616 -48.322 1.00 92.12 C +ATOM 680 N ILE A 86 13.085 11.510 -47.795 1.00 94.81 N +ATOM 681 CA ILE A 86 13.715 10.371 -47.113 1.00 94.81 C +ATOM 682 C ILE A 86 13.338 9.085 -47.847 1.00 94.81 C +ATOM 683 CB ILE A 86 13.312 10.343 -45.621 1.00 94.81 C +ATOM 684 O ILE A 86 12.158 8.827 -48.073 1.00 94.81 O +ATOM 685 CG1 ILE A 86 13.807 11.615 -44.892 1.00 94.81 C +ATOM 686 CG2 ILE A 86 13.873 9.088 -44.923 1.00 94.81 C +ATOM 687 CD1 ILE A 86 13.103 11.875 -43.556 1.00 94.81 C +ATOM 688 N CYS A 87 14.326 8.270 -48.191 1.00 95.56 N +ATOM 689 CA CYS A 87 14.135 6.928 -48.736 1.00 95.56 C +ATOM 690 C CYS A 87 14.645 5.879 -47.734 1.00 95.56 C +ATOM 691 CB CYS A 87 14.824 6.874 -50.103 1.00 95.56 C +ATOM 692 O CYS A 87 15.292 6.225 -46.743 1.00 95.56 O +ATOM 693 SG CYS A 87 14.309 5.408 -51.038 1.00 95.56 S +ATOM 694 N ILE A 88 14.332 4.608 -47.979 1.00 94.75 N +ATOM 695 CA ILE A 88 14.823 3.462 -47.212 1.00 94.75 C +ATOM 696 C ILE A 88 15.413 2.427 -48.171 1.00 94.75 C +ATOM 697 CB ILE A 88 13.708 2.889 -46.305 1.00 94.75 C +ATOM 698 O ILE A 88 14.898 2.240 -49.271 1.00 94.75 O +ATOM 699 CG1 ILE A 88 14.289 1.987 -45.197 1.00 94.75 C +ATOM 700 CG2 ILE A 88 12.619 2.147 -47.109 1.00 94.75 C +ATOM 701 CD1 ILE A 88 13.299 1.736 -44.053 1.00 94.75 C +ATOM 702 N GLN A 89 16.486 1.758 -47.763 1.00 94.81 N +ATOM 703 CA GLN A 89 16.920 0.510 -48.384 1.00 94.81 C +ATOM 704 C GLN A 89 16.114 -0.640 -47.771 1.00 94.81 C +ATOM 705 CB GLN A 89 18.422 0.318 -48.159 1.00 94.81 C +ATOM 706 O GLN A 89 16.173 -0.854 -46.559 1.00 94.81 O +ATOM 707 CG GLN A 89 19.279 1.325 -48.940 1.00 94.81 C +ATOM 708 CD GLN A 89 20.777 1.060 -48.803 1.00 94.81 C +ATOM 709 NE2 GLN A 89 21.592 1.670 -49.634 1.00 94.81 N +ATOM 710 OE1 GLN A 89 21.256 0.322 -47.956 1.00 94.81 O +ATOM 711 N GLU A 90 15.344 -1.352 -48.597 1.00 90.38 N +ATOM 712 CA GLU A 90 14.354 -2.332 -48.125 1.00 90.38 C +ATOM 713 C GLU A 90 14.980 -3.536 -47.403 1.00 90.38 C +ATOM 714 CB GLU A 90 13.456 -2.805 -49.285 1.00 90.38 C +ATOM 715 O GLU A 90 14.346 -4.060 -46.489 1.00 90.38 O +ATOM 716 CG GLU A 90 12.719 -1.644 -49.980 1.00 90.38 C +ATOM 717 CD GLU A 90 11.583 -2.091 -50.921 1.00 90.38 C +ATOM 718 OE1 GLU A 90 10.702 -1.241 -51.198 1.00 90.38 O +ATOM 719 OE2 GLU A 90 11.565 -3.267 -51.347 1.00 90.38 O +ATOM 720 N ASP A 91 16.214 -3.916 -47.763 1.00 89.06 N +ATOM 721 CA ASP A 91 16.941 -5.066 -47.197 1.00 89.06 C +ATOM 722 C ASP A 91 17.710 -4.725 -45.907 1.00 89.06 C +ATOM 723 CB ASP A 91 17.956 -5.597 -48.228 1.00 89.06 C +ATOM 724 O ASP A 91 17.714 -5.487 -44.945 1.00 89.06 O +ATOM 725 CG ASP A 91 17.370 -5.843 -49.619 1.00 89.06 C +ATOM 726 OD1 ASP A 91 16.400 -6.623 -49.718 1.00 89.06 O +ATOM 727 OD2 ASP A 91 17.903 -5.222 -50.567 1.00 89.06 O +ATOM 728 N THR A 92 18.396 -3.575 -45.880 1.00 90.94 N +ATOM 729 CA THR A 92 19.296 -3.187 -44.774 1.00 90.94 C +ATOM 730 C THR A 92 18.601 -2.362 -43.694 1.00 90.94 C +ATOM 731 CB THR A 92 20.510 -2.392 -45.283 1.00 90.94 C +ATOM 732 O THR A 92 19.172 -2.139 -42.628 1.00 90.94 O +ATOM 733 CG2 THR A 92 21.338 -3.149 -46.320 1.00 90.94 C +ATOM 734 OG1 THR A 92 20.072 -1.191 -45.874 1.00 90.94 O +ATOM 735 N GLY A 93 17.402 -1.841 -43.970 1.00 92.62 N +ATOM 736 CA GLY A 93 16.718 -0.905 -43.080 1.00 92.62 C +ATOM 737 C GLY A 93 17.412 0.457 -42.968 1.00 92.62 C +ATOM 738 O GLY A 93 17.146 1.194 -42.018 1.00 92.62 O +ATOM 739 N LEU A 94 18.304 0.809 -43.904 1.00 96.25 N +ATOM 740 CA LEU A 94 18.986 2.103 -43.918 1.00 96.25 C +ATOM 741 C LEU A 94 18.067 3.205 -44.448 1.00 96.25 C +ATOM 742 CB LEU A 94 20.268 2.012 -44.765 1.00 96.25 C +ATOM 743 O LEU A 94 17.730 3.216 -45.632 1.00 96.25 O +ATOM 744 CG LEU A 94 21.070 3.327 -44.835 1.00 96.25 C +ATOM 745 CD1 LEU A 94 21.512 3.810 -43.455 1.00 96.25 C +ATOM 746 CD2 LEU A 94 22.305 3.130 -45.717 1.00 96.25 C +ATOM 747 N LEU A 95 17.719 4.177 -43.605 1.00 96.75 N +ATOM 748 CA LEU A 95 17.087 5.418 -44.046 1.00 96.75 C +ATOM 749 C LEU A 95 18.157 6.416 -44.506 1.00 96.75 C +ATOM 750 CB LEU A 95 16.191 6.019 -42.951 1.00 96.75 C +ATOM 751 O LEU A 95 19.194 6.562 -43.858 1.00 96.75 O +ATOM 752 CG LEU A 95 14.883 5.245 -42.690 1.00 96.75 C +ATOM 753 CD1 LEU A 95 15.074 3.976 -41.859 1.00 96.75 C +ATOM 754 CD2 LEU A 95 13.928 6.146 -41.911 1.00 96.75 C +ATOM 755 N TYR A 96 17.900 7.133 -45.599 1.00 96.38 N +ATOM 756 CA TYR A 96 18.825 8.116 -46.175 1.00 96.38 C +ATOM 757 C TYR A 96 18.084 9.257 -46.889 1.00 96.38 C +ATOM 758 CB TYR A 96 19.810 7.406 -47.120 1.00 96.38 C +ATOM 759 O TYR A 96 16.916 9.118 -47.267 1.00 96.38 O +ATOM 760 CG TYR A 96 19.200 6.842 -48.391 1.00 96.38 C +ATOM 761 CD1 TYR A 96 18.572 5.580 -48.382 1.00 96.38 C +ATOM 762 CD2 TYR A 96 19.272 7.583 -49.588 1.00 96.38 C +ATOM 763 CE1 TYR A 96 18.017 5.060 -49.568 1.00 96.38 C +ATOM 764 CE2 TYR A 96 18.724 7.064 -50.777 1.00 96.38 C +ATOM 765 OH TYR A 96 17.550 5.302 -51.905 1.00 96.38 O +ATOM 766 CZ TYR A 96 18.102 5.797 -50.768 1.00 96.38 C +ATOM 767 N LEU A 97 18.755 10.393 -47.096 1.00 95.19 N +ATOM 768 CA LEU A 97 18.207 11.514 -47.865 1.00 95.19 C +ATOM 769 C LEU A 97 18.270 11.234 -49.374 1.00 95.19 C +ATOM 770 CB LEU A 97 18.930 12.828 -47.504 1.00 95.19 C +ATOM 771 O LEU A 97 19.343 11.140 -49.959 1.00 95.19 O +ATOM 772 CG LEU A 97 18.687 13.340 -46.071 1.00 95.19 C +ATOM 773 CD1 LEU A 97 19.425 14.660 -45.861 1.00 95.19 C +ATOM 774 CD2 LEU A 97 17.206 13.602 -45.773 1.00 95.19 C +ATOM 775 N ASN A 98 17.113 11.153 -50.026 1.00 93.94 N +ATOM 776 CA ASN A 98 16.970 11.102 -51.485 1.00 93.94 C +ATOM 777 C ASN A 98 17.117 12.492 -52.130 1.00 93.94 C +ATOM 778 CB ASN A 98 15.580 10.513 -51.775 1.00 93.94 C +ATOM 779 O ASN A 98 17.549 12.624 -53.272 1.00 93.94 O +ATOM 780 CG ASN A 98 15.322 10.252 -53.250 1.00 93.94 C +ATOM 781 ND2 ASN A 98 14.080 10.292 -53.671 1.00 93.94 N +ATOM 782 OD1 ASN A 98 16.201 9.966 -54.036 1.00 93.94 O +ATOM 783 N ARG A 99 16.739 13.546 -51.400 1.00 91.38 N +ATOM 784 CA ARG A 99 16.834 14.944 -51.839 1.00 91.38 C +ATOM 785 C ARG A 99 17.434 15.792 -50.733 1.00 91.38 C +ATOM 786 CB ARG A 99 15.456 15.491 -52.243 1.00 91.38 C +ATOM 787 O ARG A 99 17.245 15.485 -49.558 1.00 91.38 O +ATOM 788 CG ARG A 99 14.864 14.734 -53.439 1.00 91.38 C +ATOM 789 CD ARG A 99 13.585 15.421 -53.919 1.00 91.38 C +ATOM 790 NE ARG A 99 12.982 14.675 -55.039 1.00 91.38 N +ATOM 791 NH1 ARG A 99 11.361 16.202 -55.582 1.00 91.38 N +ATOM 792 NH2 ARG A 99 11.479 14.272 -56.697 1.00 91.38 N +ATOM 793 CZ ARG A 99 11.948 15.052 -55.765 1.00 91.38 C +ATOM 794 N SER A 100 18.112 16.868 -51.119 1.00 88.81 N +ATOM 795 CA SER A 100 18.583 17.867 -50.168 1.00 88.81 C +ATOM 796 C SER A 100 17.423 18.603 -49.496 1.00 88.81 C +ATOM 797 CB SER A 100 19.551 18.845 -50.842 1.00 88.81 C +ATOM 798 O SER A 100 16.300 18.652 -50.010 1.00 88.81 O +ATOM 799 OG SER A 100 18.961 19.415 -51.998 1.00 88.81 O +ATOM 800 N LEU A 101 17.712 19.171 -48.330 1.00 83.62 N +ATOM 801 CA LEU A 101 16.750 19.855 -47.473 1.00 83.62 C +ATOM 802 C LEU A 101 16.993 21.367 -47.501 1.00 83.62 C +ATOM 803 CB LEU A 101 16.912 19.274 -46.059 1.00 83.62 C +ATOM 804 O LEU A 101 17.915 21.850 -46.856 1.00 83.62 O +ATOM 805 CG LEU A 101 16.374 17.843 -45.884 1.00 83.62 C +ATOM 806 CD1 LEU A 101 16.818 17.317 -44.521 1.00 83.62 C +ATOM 807 CD2 LEU A 101 14.845 17.792 -45.976 1.00 83.62 C +ATOM 808 N ASP A 102 16.162 22.117 -48.221 1.00 85.19 N +ATOM 809 CA ASP A 102 16.259 23.576 -48.319 1.00 85.19 C +ATOM 810 C ASP A 102 15.234 24.290 -47.419 1.00 85.19 C +ATOM 811 CB ASP A 102 16.128 23.991 -49.793 1.00 85.19 C +ATOM 812 O ASP A 102 14.187 23.733 -47.074 1.00 85.19 O +ATOM 813 CG ASP A 102 14.687 23.954 -50.314 1.00 85.19 C +ATOM 814 OD1 ASP A 102 13.951 22.974 -50.061 1.00 85.19 O +ATOM 815 OD2 ASP A 102 14.272 24.959 -50.925 1.00 85.19 O +ATOM 816 N HIS A 103 15.493 25.556 -47.069 1.00 85.94 N +ATOM 817 CA HIS A 103 14.554 26.356 -46.269 1.00 85.94 C +ATOM 818 C HIS A 103 13.140 26.419 -46.886 1.00 85.94 C +ATOM 819 CB HIS A 103 15.101 27.780 -46.065 1.00 85.94 C +ATOM 820 O HIS A 103 12.157 26.436 -46.143 1.00 85.94 O +ATOM 821 CG HIS A 103 16.238 27.908 -45.076 1.00 85.94 C +ATOM 822 CD2 HIS A 103 17.519 28.309 -45.359 1.00 85.94 C +ATOM 823 ND1 HIS A 103 16.153 27.800 -43.701 1.00 85.94 N +ATOM 824 CE1 HIS A 103 17.345 28.132 -43.179 1.00 85.94 C +ATOM 825 NE2 HIS A 103 18.207 28.454 -44.151 1.00 85.94 N +ATOM 826 N SER A 104 12.993 26.396 -48.223 1.00 86.06 N +ATOM 827 CA SER A 104 11.667 26.471 -48.856 1.00 86.06 C +ATOM 828 C SER A 104 10.819 25.212 -48.625 1.00 86.06 C +ATOM 829 CB SER A 104 11.763 26.834 -50.346 1.00 86.06 C +ATOM 830 O SER A 104 9.612 25.321 -48.379 1.00 86.06 O +ATOM 831 OG SER A 104 11.850 25.708 -51.192 1.00 86.06 O +ATOM 832 N SER A 105 11.435 24.022 -48.618 1.00 85.69 N +ATOM 833 CA SER A 105 10.765 22.776 -48.225 1.00 85.69 C +ATOM 834 C SER A 105 10.294 22.827 -46.771 1.00 85.69 C +ATOM 835 CB SER A 105 11.702 21.575 -48.394 1.00 85.69 C +ATOM 836 O SER A 105 9.170 22.415 -46.474 1.00 85.69 O +ATOM 837 OG SER A 105 11.976 21.333 -49.761 1.00 85.69 O +ATOM 838 N TRP A 106 11.121 23.366 -45.872 1.00 83.19 N +ATOM 839 CA TRP A 106 10.819 23.436 -44.441 1.00 83.19 C +ATOM 840 C TRP A 106 9.691 24.403 -44.104 1.00 83.19 C +ATOM 841 CB TRP A 106 12.098 23.748 -43.668 1.00 83.19 C +ATOM 842 O TRP A 106 8.742 24.003 -43.426 1.00 83.19 O +ATOM 843 CG TRP A 106 12.993 22.558 -43.604 1.00 83.19 C +ATOM 844 CD1 TRP A 106 14.218 22.438 -44.159 1.00 83.19 C +ATOM 845 CD2 TRP A 106 12.714 21.281 -42.956 1.00 83.19 C +ATOM 846 CE2 TRP A 106 13.820 20.412 -43.174 1.00 83.19 C +ATOM 847 CE3 TRP A 106 11.636 20.779 -42.193 1.00 83.19 C +ATOM 848 NE1 TRP A 106 14.712 21.176 -43.899 1.00 83.19 N +ATOM 849 CH2 TRP A 106 12.768 18.638 -41.898 1.00 83.19 C +ATOM 850 CZ2 TRP A 106 13.855 19.109 -42.654 1.00 83.19 C +ATOM 851 CZ3 TRP A 106 11.661 19.473 -41.666 1.00 83.19 C +ATOM 852 N GLU A 107 9.713 25.620 -44.647 1.00 85.06 N +ATOM 853 CA GLU A 107 8.609 26.574 -44.481 1.00 85.06 C +ATOM 854 C GLU A 107 7.290 26.002 -45.030 1.00 85.06 C +ATOM 855 CB GLU A 107 8.968 27.907 -45.164 1.00 85.06 C +ATOM 856 O GLU A 107 6.244 26.061 -44.377 1.00 85.06 O +ATOM 857 CG GLU A 107 10.052 28.701 -44.409 1.00 85.06 C +ATOM 858 CD GLU A 107 9.665 29.016 -42.953 1.00 85.06 C +ATOM 859 OE1 GLU A 107 10.583 29.102 -42.106 1.00 85.06 O +ATOM 860 OE2 GLU A 107 8.446 29.109 -42.677 1.00 85.06 O +ATOM 861 N LYS A 108 7.338 25.317 -46.180 1.00 85.88 N +ATOM 862 CA LYS A 108 6.169 24.649 -46.776 1.00 85.88 C +ATOM 863 C LYS A 108 5.600 23.520 -45.905 1.00 85.88 C +ATOM 864 CB LYS A 108 6.578 24.158 -48.168 1.00 85.88 C +ATOM 865 O LYS A 108 4.386 23.301 -45.924 1.00 85.88 O +ATOM 866 CG LYS A 108 5.415 23.607 -49.001 1.00 85.88 C +ATOM 867 CD LYS A 108 5.957 23.222 -50.381 1.00 85.88 C +ATOM 868 CE LYS A 108 4.849 22.734 -51.316 1.00 85.88 C +ATOM 869 NZ LYS A 108 5.417 22.393 -52.644 1.00 85.88 N +ATOM 870 N LEU A 109 6.435 22.801 -45.150 1.00 86.62 N +ATOM 871 CA LEU A 109 5.989 21.810 -44.161 1.00 86.62 C +ATOM 872 C LEU A 109 5.451 22.482 -42.887 1.00 86.62 C +ATOM 873 CB LEU A 109 7.143 20.841 -43.833 1.00 86.62 C +ATOM 874 O LEU A 109 4.416 22.055 -42.370 1.00 86.62 O +ATOM 875 CG LEU A 109 7.521 19.864 -44.963 1.00 86.62 C +ATOM 876 CD1 LEU A 109 8.785 19.092 -44.588 1.00 86.62 C +ATOM 877 CD2 LEU A 109 6.413 18.839 -45.222 1.00 86.62 C +ATOM 878 N SER A 110 6.106 23.550 -42.425 1.00 85.25 N +ATOM 879 CA SER A 110 5.747 24.317 -41.225 1.00 85.25 C +ATOM 880 C SER A 110 4.345 24.926 -41.342 1.00 85.25 C +ATOM 881 CB SER A 110 6.811 25.399 -40.995 1.00 85.25 C +ATOM 882 O SER A 110 3.480 24.675 -40.499 1.00 85.25 O +ATOM 883 OG SER A 110 6.640 26.006 -39.733 1.00 85.25 O +ATOM 884 N VAL A 111 4.048 25.584 -42.471 1.00 86.06 N +ATOM 885 CA VAL A 111 2.715 26.136 -42.791 1.00 86.06 C +ATOM 886 C VAL A 111 1.609 25.073 -42.703 1.00 86.06 C +ATOM 887 CB VAL A 111 2.749 26.780 -44.196 1.00 86.06 C +ATOM 888 O VAL A 111 0.504 25.348 -42.230 1.00 86.06 O +ATOM 889 CG1 VAL A 111 1.362 27.157 -44.736 1.00 86.06 C +ATOM 890 CG2 VAL A 111 3.584 28.067 -44.182 1.00 86.06 C +ATOM 891 N ARG A 112 1.888 23.829 -43.114 1.00 84.88 N +ATOM 892 CA ARG A 112 0.902 22.731 -43.090 1.00 84.88 C +ATOM 893 C ARG A 112 0.682 22.116 -41.714 1.00 84.88 C +ATOM 894 CB ARG A 112 1.300 21.648 -44.088 1.00 84.88 C +ATOM 895 O ARG A 112 -0.297 21.394 -41.528 1.00 84.88 O +ATOM 896 CG ARG A 112 1.168 22.153 -45.526 1.00 84.88 C +ATOM 897 CD ARG A 112 1.417 20.953 -46.426 1.00 84.88 C +ATOM 898 NE ARG A 112 1.370 21.281 -47.857 1.00 84.88 N +ATOM 899 NH1 ARG A 112 1.340 19.096 -48.558 1.00 84.88 N +ATOM 900 NH2 ARG A 112 1.325 20.736 -50.067 1.00 84.88 N +ATOM 901 CZ ARG A 112 1.343 20.375 -48.815 1.00 84.88 C +ATOM 902 N ASN A 113 1.522 22.432 -40.736 1.00 82.06 N +ATOM 903 CA ASN A 113 1.425 21.903 -39.380 1.00 82.06 C +ATOM 904 C ASN A 113 0.317 22.600 -38.552 1.00 82.06 C +ATOM 905 CB ASN A 113 2.845 21.930 -38.784 1.00 82.06 C +ATOM 906 O ASN A 113 0.316 22.506 -37.336 1.00 82.06 O +ATOM 907 CG ASN A 113 3.082 20.979 -37.616 1.00 82.06 C +ATOM 908 ND2 ASN A 113 4.032 21.284 -36.765 1.00 82.06 N +ATOM 909 OD1 ASN A 113 2.469 19.931 -37.476 1.00 82.06 O +ATOM 910 N ARG A 114 -0.646 23.293 -39.190 1.00 77.44 N +ATOM 911 CA ARG A 114 -1.856 23.909 -38.585 1.00 77.44 C +ATOM 912 C ARG A 114 -1.560 24.958 -37.501 1.00 77.44 C +ATOM 913 CB ARG A 114 -2.851 22.818 -38.133 1.00 77.44 C +ATOM 914 O ARG A 114 -2.165 24.967 -36.432 1.00 77.44 O +ATOM 915 CG ARG A 114 -3.294 21.916 -39.296 1.00 77.44 C +ATOM 916 CD ARG A 114 -4.364 20.920 -38.838 1.00 77.44 C +ATOM 917 NE ARG A 114 -4.886 20.143 -39.980 1.00 77.44 N +ATOM 918 NH1 ARG A 114 -6.782 19.341 -38.960 1.00 77.44 N +ATOM 919 NH2 ARG A 114 -6.409 18.884 -41.110 1.00 77.44 N +ATOM 920 CZ ARG A 114 -6.017 19.462 -40.009 1.00 77.44 C +ATOM 921 N GLY A 115 -0.573 25.814 -37.772 1.00 73.44 N +ATOM 922 CA GLY A 115 0.017 26.763 -36.814 1.00 73.44 C +ATOM 923 C GLY A 115 1.176 26.176 -35.993 1.00 73.44 C +ATOM 924 O GLY A 115 1.802 26.895 -35.229 1.00 73.44 O +ATOM 925 N PHE A 116 1.431 24.879 -36.165 1.00 75.19 N +ATOM 926 CA PHE A 116 2.478 23.998 -35.655 1.00 75.19 C +ATOM 927 C PHE A 116 3.934 24.482 -35.839 1.00 75.19 C +ATOM 928 CB PHE A 116 2.177 23.171 -34.381 1.00 75.19 C +ATOM 929 O PHE A 116 4.492 24.107 -36.870 1.00 75.19 O +ATOM 930 CG PHE A 116 0.812 22.523 -34.071 1.00 75.19 C +ATOM 931 CD1 PHE A 116 0.770 21.511 -33.093 1.00 75.19 C +ATOM 932 CD2 PHE A 116 -0.423 22.993 -34.561 1.00 75.19 C +ATOM 933 CE1 PHE A 116 -0.452 21.084 -32.549 1.00 75.19 C +ATOM 934 CE2 PHE A 116 -1.651 22.514 -34.078 1.00 75.19 C +ATOM 935 CZ PHE A 116 -1.668 21.569 -33.048 1.00 75.19 C +ATOM 936 N PRO A 117 4.627 25.172 -34.902 1.00 78.12 N +ATOM 937 CA PRO A 117 6.091 25.133 -34.850 1.00 78.12 C +ATOM 938 C PRO A 117 6.591 23.693 -35.033 1.00 78.12 C +ATOM 939 CB PRO A 117 6.496 25.720 -33.488 1.00 78.12 C +ATOM 940 O PRO A 117 6.304 22.796 -34.236 1.00 78.12 O +ATOM 941 CG PRO A 117 5.207 25.665 -32.670 1.00 78.12 C +ATOM 942 CD PRO A 117 4.163 25.921 -33.751 1.00 78.12 C +ATOM 943 N LEU A 118 7.269 23.468 -36.154 1.00 81.19 N +ATOM 944 CA LEU A 118 7.617 22.155 -36.682 1.00 81.19 C +ATOM 945 C LEU A 118 8.894 21.623 -36.017 1.00 81.19 C +ATOM 946 CB LEU A 118 7.715 22.292 -38.213 1.00 81.19 C +ATOM 947 O LEU A 118 9.949 21.557 -36.635 1.00 81.19 O +ATOM 948 CG LEU A 118 7.866 20.954 -38.955 1.00 81.19 C +ATOM 949 CD1 LEU A 118 6.562 20.160 -38.929 1.00 81.19 C +ATOM 950 CD2 LEU A 118 8.226 21.214 -40.414 1.00 81.19 C +ATOM 951 N LEU A 119 8.793 21.266 -34.735 1.00 82.19 N +ATOM 952 CA LEU A 119 9.932 20.770 -33.949 1.00 82.19 C +ATOM 953 C LEU A 119 10.347 19.348 -34.350 1.00 82.19 C +ATOM 954 CB LEU A 119 9.566 20.802 -32.452 1.00 82.19 C +ATOM 955 O LEU A 119 11.530 19.020 -34.410 1.00 82.19 O +ATOM 956 CG LEU A 119 9.201 22.187 -31.890 1.00 82.19 C +ATOM 957 CD1 LEU A 119 8.797 22.052 -30.421 1.00 82.19 C +ATOM 958 CD2 LEU A 119 10.361 23.178 -31.986 1.00 82.19 C +ATOM 959 N THR A 120 9.362 18.483 -34.597 1.00 88.31 N +ATOM 960 CA THR A 120 9.583 17.063 -34.881 1.00 88.31 C +ATOM 961 C THR A 120 8.537 16.568 -35.868 1.00 88.31 C +ATOM 962 CB THR A 120 9.523 16.207 -33.601 1.00 88.31 C +ATOM 963 O THR A 120 7.335 16.755 -35.655 1.00 88.31 O +ATOM 964 CG2 THR A 120 10.140 14.821 -33.779 1.00 88.31 C +ATOM 965 OG1 THR A 120 10.214 16.814 -32.533 1.00 88.31 O +ATOM 966 N VAL A 121 8.992 15.898 -36.923 1.00 91.69 N +ATOM 967 CA VAL A 121 8.149 15.090 -37.816 1.00 91.69 C +ATOM 968 C VAL A 121 8.424 13.613 -37.575 1.00 91.69 C +ATOM 969 CB VAL A 121 8.332 15.464 -39.300 1.00 91.69 C +ATOM 970 O VAL A 121 9.442 13.259 -36.986 1.00 91.69 O +ATOM 971 CG1 VAL A 121 7.912 16.914 -39.535 1.00 91.69 C +ATOM 972 CG2 VAL A 121 9.757 15.267 -39.824 1.00 91.69 C +ATOM 973 N TYR A 122 7.542 12.728 -38.025 1.00 93.25 N +ATOM 974 CA TYR A 122 7.821 11.299 -38.026 1.00 93.25 C +ATOM 975 C TYR A 122 7.330 10.597 -39.288 1.00 93.25 C +ATOM 976 CB TYR A 122 7.312 10.631 -36.739 1.00 93.25 C +ATOM 977 O TYR A 122 6.317 10.961 -39.893 1.00 93.25 O +ATOM 978 CG TYR A 122 5.807 10.526 -36.597 1.00 93.25 C +ATOM 979 CD1 TYR A 122 5.074 11.601 -36.060 1.00 93.25 C +ATOM 980 CD2 TYR A 122 5.146 9.343 -36.982 1.00 93.25 C +ATOM 981 CE1 TYR A 122 3.682 11.491 -35.890 1.00 93.25 C +ATOM 982 CE2 TYR A 122 3.752 9.230 -36.825 1.00 93.25 C +ATOM 983 OH TYR A 122 1.679 10.194 -36.099 1.00 93.25 O +ATOM 984 CZ TYR A 122 3.022 10.303 -36.274 1.00 93.25 C +ATOM 985 N LEU A 123 8.058 9.547 -39.654 1.00 93.81 N +ATOM 986 CA LEU A 123 7.634 8.540 -40.616 1.00 93.81 C +ATOM 987 C LEU A 123 7.171 7.283 -39.879 1.00 93.81 C +ATOM 988 CB LEU A 123 8.766 8.255 -41.620 1.00 93.81 C +ATOM 989 O LEU A 123 7.481 7.056 -38.708 1.00 93.81 O +ATOM 990 CG LEU A 123 9.022 9.415 -42.601 1.00 93.81 C +ATOM 991 CD1 LEU A 123 10.264 9.133 -43.438 1.00 93.81 C +ATOM 992 CD2 LEU A 123 7.851 9.615 -43.567 1.00 93.81 C +ATOM 993 N LYS A 124 6.400 6.466 -40.590 1.00 92.50 N +ATOM 994 CA LYS A 124 6.016 5.116 -40.173 1.00 92.50 C +ATOM 995 C LYS A 124 6.850 4.142 -40.992 1.00 92.50 C +ATOM 996 CB LYS A 124 4.512 4.912 -40.400 1.00 92.50 C +ATOM 997 O LYS A 124 6.990 4.360 -42.193 1.00 92.50 O +ATOM 998 CG LYS A 124 3.683 5.842 -39.501 1.00 92.50 C +ATOM 999 CD LYS A 124 2.213 5.847 -39.924 1.00 92.50 C +ATOM 1000 CE LYS A 124 1.468 6.865 -39.059 1.00 92.50 C +ATOM 1001 NZ LYS A 124 0.075 7.032 -39.522 1.00 92.50 N +ATOM 1002 N VAL A 125 7.381 3.103 -40.366 1.00 92.75 N +ATOM 1003 CA VAL A 125 8.090 2.018 -41.051 1.00 92.75 C +ATOM 1004 C VAL A 125 7.326 0.739 -40.775 1.00 92.75 C +ATOM 1005 CB VAL A 125 9.559 1.887 -40.612 1.00 92.75 C +ATOM 1006 O VAL A 125 7.049 0.430 -39.617 1.00 92.75 O +ATOM 1007 CG1 VAL A 125 10.318 0.957 -41.566 1.00 92.75 C +ATOM 1008 CG2 VAL A 125 10.275 3.240 -40.621 1.00 92.75 C +ATOM 1009 N PHE A 126 6.963 0.028 -41.834 1.00 90.31 N +ATOM 1010 CA PHE A 126 6.230 -1.229 -41.765 1.00 90.31 C +ATOM 1011 C PHE A 126 7.153 -2.391 -42.106 1.00 90.31 C +ATOM 1012 CB PHE A 126 5.028 -1.187 -42.716 1.00 90.31 C +ATOM 1013 O PHE A 126 7.990 -2.273 -43.004 1.00 90.31 O +ATOM 1014 CG PHE A 126 4.039 -0.085 -42.393 1.00 90.31 C +ATOM 1015 CD1 PHE A 126 3.049 -0.294 -41.416 1.00 90.31 C +ATOM 1016 CD2 PHE A 126 4.125 1.158 -43.050 1.00 90.31 C +ATOM 1017 CE1 PHE A 126 2.148 0.736 -41.092 1.00 90.31 C +ATOM 1018 CE2 PHE A 126 3.229 2.190 -42.724 1.00 90.31 C +ATOM 1019 CZ PHE A 126 2.247 1.981 -41.739 1.00 90.31 C +ATOM 1020 N LEU A 127 6.945 -3.507 -41.413 1.00 83.75 N +ATOM 1021 CA LEU A 127 7.457 -4.816 -41.808 1.00 83.75 C +ATOM 1022 C LEU A 127 6.414 -5.481 -42.714 1.00 83.75 C +ATOM 1023 CB LEU A 127 7.780 -5.649 -40.546 1.00 83.75 C +ATOM 1024 O LEU A 127 5.214 -5.311 -42.489 1.00 83.75 O +ATOM 1025 CG LEU A 127 8.847 -4.982 -39.660 1.00 83.75 C +ATOM 1026 CD1 LEU A 127 8.915 -5.582 -38.258 1.00 83.75 C +ATOM 1027 CD2 LEU A 127 10.234 -5.025 -40.295 1.00 83.75 C +ATOM 1028 N SER A 128 6.875 -6.250 -43.705 1.00 70.88 N +ATOM 1029 CA SER A 128 6.070 -6.980 -44.706 1.00 70.88 C +ATOM 1030 C SER A 128 5.468 -6.133 -45.856 1.00 70.88 C +ATOM 1031 CB SER A 128 5.007 -7.861 -44.018 1.00 70.88 C +ATOM 1032 O SER A 128 5.087 -4.971 -45.657 1.00 70.88 O +ATOM 1033 OG SER A 128 4.230 -8.587 -44.949 1.00 70.88 O +ATOM 1034 N PRO A 129 5.337 -6.700 -47.082 1.00 55.22 N +ATOM 1035 CA PRO A 129 4.691 -6.070 -48.244 1.00 55.22 C +ATOM 1036 C PRO A 129 3.170 -5.847 -48.126 1.00 55.22 C +ATOM 1037 CB PRO A 129 5.021 -6.967 -49.444 1.00 55.22 C +ATOM 1038 O PRO A 129 2.610 -5.059 -48.896 1.00 55.22 O +ATOM 1039 CG PRO A 129 5.259 -8.335 -48.815 1.00 55.22 C +ATOM 1040 CD PRO A 129 5.945 -7.958 -47.509 1.00 55.22 C +ATOM 1041 N THR A 130 2.472 -6.456 -47.162 1.00 53.09 N +ATOM 1042 CA THR A 130 1.023 -6.239 -46.980 1.00 53.09 C +ATOM 1043 C THR A 130 0.690 -4.795 -46.604 1.00 53.09 C +ATOM 1044 CB THR A 130 0.414 -7.190 -45.940 1.00 53.09 C +ATOM 1045 O THR A 130 1.307 -4.206 -45.719 1.00 53.09 O +ATOM 1046 CG2 THR A 130 0.127 -8.556 -46.558 1.00 53.09 C +ATOM 1047 OG1 THR A 130 1.284 -7.388 -44.852 1.00 53.09 O +ATOM 1048 N SER A 131 -0.291 -4.198 -47.281 1.00 48.47 N +ATOM 1049 CA SER A 131 -0.705 -2.798 -47.114 1.00 48.47 C +ATOM 1050 C SER A 131 -1.467 -2.560 -45.801 1.00 48.47 C +ATOM 1051 CB SER A 131 -1.556 -2.369 -48.322 1.00 48.47 C +ATOM 1052 O SER A 131 -2.677 -2.318 -45.818 1.00 48.47 O +ATOM 1053 OG SER A 131 -0.951 -2.767 -49.537 1.00 48.47 O +ATOM 1054 N LEU A 132 -0.781 -2.614 -44.652 1.00 55.69 N +ATOM 1055 CA LEU A 132 -1.375 -2.188 -43.383 1.00 55.69 C +ATOM 1056 C LEU A 132 -1.903 -0.756 -43.522 1.00 55.69 C +ATOM 1057 CB LEU A 132 -0.389 -2.286 -42.199 1.00 55.69 C +ATOM 1058 O LEU A 132 -1.209 0.146 -43.998 1.00 55.69 O +ATOM 1059 CG LEU A 132 -0.338 -3.685 -41.545 1.00 55.69 C +ATOM 1060 CD1 LEU A 132 0.899 -4.466 -41.982 1.00 55.69 C +ATOM 1061 CD2 LEU A 132 -0.322 -3.567 -40.021 1.00 55.69 C +ATOM 1062 N ARG A 133 -3.150 -0.538 -43.088 1.00 58.91 N +ATOM 1063 CA ARG A 133 -3.746 0.799 -43.059 1.00 58.91 C +ATOM 1064 C ARG A 133 -2.861 1.691 -42.196 1.00 58.91 C +ATOM 1065 CB ARG A 133 -5.178 0.743 -42.497 1.00 58.91 C +ATOM 1066 O ARG A 133 -2.759 1.485 -40.989 1.00 58.91 O +ATOM 1067 CG ARG A 133 -6.195 0.142 -43.479 1.00 58.91 C +ATOM 1068 CD ARG A 133 -7.589 0.126 -42.834 1.00 58.91 C +ATOM 1069 NE ARG A 133 -8.643 -0.255 -43.797 1.00 58.91 N +ATOM 1070 NH1 ARG A 133 -10.430 -0.020 -42.369 1.00 58.91 N +ATOM 1071 NH2 ARG A 133 -10.785 -0.615 -44.489 1.00 58.91 N +ATOM 1072 CZ ARG A 133 -9.942 -0.293 -43.548 1.00 58.91 C +ATOM 1073 N GLU A 134 -2.288 2.746 -42.780 1.00 62.06 N +ATOM 1074 CA GLU A 134 -1.412 3.671 -42.039 1.00 62.06 C +ATOM 1075 C GLU A 134 -2.069 4.265 -40.777 1.00 62.06 C +ATOM 1076 CB GLU A 134 -1.024 4.868 -42.906 1.00 62.06 C +ATOM 1077 O GLU A 134 -1.380 4.755 -39.876 1.00 62.06 O +ATOM 1078 CG GLU A 134 -0.198 4.601 -44.169 1.00 62.06 C +ATOM 1079 CD GLU A 134 0.319 5.941 -44.718 1.00 62.06 C +ATOM 1080 OE1 GLU A 134 1.391 5.963 -45.349 1.00 62.06 O +ATOM 1081 OE2 GLU A 134 -0.307 6.985 -44.391 1.00 62.06 O +ATOM 1082 N GLY A 135 -3.403 4.243 -40.713 1.00 58.66 N +ATOM 1083 CA GLY A 135 -4.208 4.621 -39.558 1.00 58.66 C +ATOM 1084 C GLY A 135 -3.979 3.799 -38.283 1.00 58.66 C +ATOM 1085 O GLY A 135 -4.491 4.216 -37.249 1.00 58.66 O +ATOM 1086 N GLU A 136 -3.206 2.704 -38.296 1.00 67.12 N +ATOM 1087 CA GLU A 136 -3.017 1.814 -37.127 1.00 67.12 C +ATOM 1088 C GLU A 136 -1.559 1.345 -36.921 1.00 67.12 C +ATOM 1089 CB GLU A 136 -4.042 0.663 -37.151 1.00 67.12 C +ATOM 1090 O GLU A 136 -1.292 0.221 -36.525 1.00 67.12 O +ATOM 1091 CG GLU A 136 -5.461 1.223 -36.957 1.00 67.12 C +ATOM 1092 CD GLU A 136 -6.559 0.166 -36.867 1.00 67.12 C +ATOM 1093 OE1 GLU A 136 -7.629 0.538 -36.339 1.00 67.12 O +ATOM 1094 OE2 GLU A 136 -6.361 -0.937 -37.416 1.00 67.12 O +ATOM 1095 N CYS A 137 -0.579 2.232 -37.134 1.00 81.44 N +ATOM 1096 CA CYS A 137 0.825 1.940 -36.804 1.00 81.44 C +ATOM 1097 C CYS A 137 1.050 1.710 -35.289 1.00 81.44 C +ATOM 1098 CB CYS A 137 1.705 3.081 -37.323 1.00 81.44 C +ATOM 1099 O CYS A 137 1.070 2.681 -34.511 1.00 81.44 O +ATOM 1100 SG CYS A 137 3.475 2.900 -36.982 1.00 81.44 S +ATOM 1101 N GLN A 138 1.246 0.442 -34.910 1.00 83.88 N +ATOM 1102 CA GLN A 138 1.613 -0.058 -33.580 1.00 83.88 C +ATOM 1103 C GLN A 138 2.701 -1.147 -33.688 1.00 83.88 C +ATOM 1104 CB GLN A 138 0.378 -0.642 -32.860 1.00 83.88 C +ATOM 1105 O GLN A 138 2.808 -1.829 -34.707 1.00 83.88 O +ATOM 1106 CG GLN A 138 -0.749 0.377 -32.616 1.00 83.88 C +ATOM 1107 CD GLN A 138 -1.898 -0.174 -31.766 1.00 83.88 C +ATOM 1108 NE2 GLN A 138 -2.961 0.577 -31.577 1.00 83.88 N +ATOM 1109 OE1 GLN A 138 -1.880 -1.264 -31.231 1.00 83.88 O +ATOM 1110 N TRP A 139 3.481 -1.322 -32.619 1.00 86.88 N +ATOM 1111 CA TRP A 139 4.412 -2.445 -32.445 1.00 86.88 C +ATOM 1112 C TRP A 139 3.626 -3.767 -32.279 1.00 86.88 C +ATOM 1113 CB TRP A 139 5.277 -2.133 -31.212 1.00 86.88 C +ATOM 1114 O TRP A 139 2.567 -3.724 -31.651 1.00 86.88 O +ATOM 1115 CG TRP A 139 6.327 -3.140 -30.860 1.00 86.88 C +ATOM 1116 CD1 TRP A 139 7.607 -3.126 -31.299 1.00 86.88 C +ATOM 1117 CD2 TRP A 139 6.199 -4.351 -30.045 1.00 86.88 C +ATOM 1118 CE2 TRP A 139 7.450 -5.041 -30.063 1.00 86.88 C +ATOM 1119 CE3 TRP A 139 5.147 -4.945 -29.313 1.00 86.88 C +ATOM 1120 NE1 TRP A 139 8.266 -4.248 -30.841 1.00 86.88 N +ATOM 1121 CH2 TRP A 139 6.585 -6.815 -28.665 1.00 86.88 C +ATOM 1122 CZ2 TRP A 139 7.649 -6.255 -29.393 1.00 86.88 C +ATOM 1123 CZ3 TRP A 139 5.341 -6.161 -28.627 1.00 86.88 C +ATOM 1124 N PRO A 140 4.094 -4.924 -32.796 1.00 86.31 N +ATOM 1125 CA PRO A 140 5.392 -5.165 -33.441 1.00 86.31 C +ATOM 1126 C PRO A 140 5.480 -4.793 -34.929 1.00 86.31 C +ATOM 1127 CB PRO A 140 5.646 -6.662 -33.245 1.00 86.31 C +ATOM 1128 O PRO A 140 6.579 -4.532 -35.405 1.00 86.31 O +ATOM 1129 CG PRO A 140 4.250 -7.272 -33.244 1.00 86.31 C +ATOM 1130 CD PRO A 140 3.422 -6.195 -32.547 1.00 86.31 C +ATOM 1131 N GLY A 141 4.357 -4.722 -35.653 1.00 84.69 N +ATOM 1132 CA GLY A 141 4.344 -4.595 -37.122 1.00 84.69 C +ATOM 1133 C GLY A 141 4.718 -3.226 -37.702 1.00 84.69 C +ATOM 1134 O GLY A 141 4.972 -3.112 -38.903 1.00 84.69 O +ATOM 1135 N CYS A 142 4.720 -2.173 -36.882 1.00 89.38 N +ATOM 1136 CA CYS A 142 5.067 -0.821 -37.304 1.00 89.38 C +ATOM 1137 C CYS A 142 5.843 -0.057 -36.226 1.00 89.38 C +ATOM 1138 CB CYS A 142 3.791 -0.075 -37.698 1.00 89.38 C +ATOM 1139 O CYS A 142 5.397 0.043 -35.081 1.00 89.38 O +ATOM 1140 SG CYS A 142 4.076 1.574 -38.402 1.00 89.38 S +ATOM 1141 N ALA A 143 6.955 0.559 -36.625 1.00 92.19 N +ATOM 1142 CA ALA A 143 7.723 1.494 -35.811 1.00 92.19 C +ATOM 1143 C ALA A 143 7.571 2.931 -36.327 1.00 92.19 C +ATOM 1144 CB ALA A 143 9.186 1.048 -35.756 1.00 92.19 C +ATOM 1145 O ALA A 143 7.275 3.177 -37.502 1.00 92.19 O +ATOM 1146 N ARG A 144 7.778 3.906 -35.441 1.00 93.06 N +ATOM 1147 CA ARG A 144 7.788 5.334 -35.778 1.00 93.06 C +ATOM 1148 C ARG A 144 9.220 5.848 -35.734 1.00 93.06 C +ATOM 1149 CB ARG A 144 6.856 6.120 -34.846 1.00 93.06 C +ATOM 1150 O ARG A 144 9.941 5.607 -34.769 1.00 93.06 O +ATOM 1151 CG ARG A 144 5.409 5.626 -34.978 1.00 93.06 C +ATOM 1152 CD ARG A 144 4.474 6.383 -34.033 1.00 93.06 C +ATOM 1153 NE ARG A 144 3.181 5.678 -33.919 1.00 93.06 N +ATOM 1154 NH1 ARG A 144 2.353 6.878 -32.151 1.00 93.06 N +ATOM 1155 NH2 ARG A 144 1.243 5.080 -32.897 1.00 93.06 N +ATOM 1156 CZ ARG A 144 2.264 5.886 -32.995 1.00 93.06 C +ATOM 1157 N VAL A 145 9.623 6.563 -36.774 1.00 95.19 N +ATOM 1158 CA VAL A 145 10.950 7.178 -36.865 1.00 95.19 C +ATOM 1159 C VAL A 145 10.770 8.683 -36.797 1.00 95.19 C +ATOM 1160 CB VAL A 145 11.690 6.751 -38.141 1.00 95.19 C +ATOM 1161 O VAL A 145 10.168 9.268 -37.696 1.00 95.19 O +ATOM 1162 CG1 VAL A 145 13.099 7.338 -38.130 1.00 95.19 C +ATOM 1163 CG2 VAL A 145 11.830 5.228 -38.259 1.00 95.19 C +ATOM 1164 N TYR A 146 11.239 9.282 -35.709 1.00 94.19 N +ATOM 1165 CA TYR A 146 11.131 10.703 -35.411 1.00 94.19 C +ATOM 1166 C TYR A 146 12.362 11.458 -35.915 1.00 94.19 C +ATOM 1167 CB TYR A 146 10.949 10.892 -33.897 1.00 94.19 C +ATOM 1168 O TYR A 146 13.494 11.051 -35.663 1.00 94.19 O +ATOM 1169 CG TYR A 146 9.627 10.379 -33.353 1.00 94.19 C +ATOM 1170 CD1 TYR A 146 8.531 11.256 -33.249 1.00 94.19 C +ATOM 1171 CD2 TYR A 146 9.487 9.034 -32.953 1.00 94.19 C +ATOM 1172 CE1 TYR A 146 7.299 10.796 -32.750 1.00 94.19 C +ATOM 1173 CE2 TYR A 146 8.252 8.563 -32.465 1.00 94.19 C +ATOM 1174 OH TYR A 146 5.956 9.014 -31.890 1.00 94.19 O +ATOM 1175 CZ TYR A 146 7.157 9.446 -32.362 1.00 94.19 C +ATOM 1176 N PHE A 147 12.130 12.588 -36.573 1.00 93.94 N +ATOM 1177 CA PHE A 147 13.154 13.500 -37.064 1.00 93.94 C +ATOM 1178 C PHE A 147 12.944 14.865 -36.412 1.00 93.94 C +ATOM 1179 CB PHE A 147 13.087 13.589 -38.593 1.00 93.94 C +ATOM 1180 O PHE A 147 11.948 15.543 -36.688 1.00 93.94 O +ATOM 1181 CG PHE A 147 13.231 12.259 -39.303 1.00 93.94 C +ATOM 1182 CD1 PHE A 147 14.510 11.746 -39.584 1.00 93.94 C +ATOM 1183 CD2 PHE A 147 12.087 11.510 -39.638 1.00 93.94 C +ATOM 1184 CE1 PHE A 147 14.646 10.482 -40.182 1.00 93.94 C +ATOM 1185 CE2 PHE A 147 12.222 10.252 -40.247 1.00 93.94 C +ATOM 1186 CZ PHE A 147 13.503 9.740 -40.521 1.00 93.94 C +ATOM 1187 N SER A 148 13.865 15.254 -35.534 1.00 91.75 N +ATOM 1188 CA SER A 148 13.912 16.595 -34.949 1.00 91.75 C +ATOM 1189 C SER A 148 14.648 17.525 -35.904 1.00 91.75 C +ATOM 1190 CB SER A 148 14.599 16.574 -33.584 1.00 91.75 C +ATOM 1191 O SER A 148 15.798 17.262 -36.256 1.00 91.75 O +ATOM 1192 OG SER A 148 13.780 15.899 -32.642 1.00 91.75 O +ATOM 1193 N PHE A 149 13.983 18.588 -36.347 1.00 87.75 N +ATOM 1194 CA PHE A 149 14.526 19.492 -37.355 1.00 87.75 C +ATOM 1195 C PHE A 149 15.103 20.768 -36.730 1.00 87.75 C +ATOM 1196 CB PHE A 149 13.460 19.793 -38.413 1.00 87.75 C +ATOM 1197 O PHE A 149 14.469 21.402 -35.886 1.00 87.75 O +ATOM 1198 CG PHE A 149 13.904 20.879 -39.370 1.00 87.75 C +ATOM 1199 CD1 PHE A 149 13.226 22.112 -39.389 1.00 87.75 C +ATOM 1200 CD2 PHE A 149 15.066 20.703 -40.145 1.00 87.75 C +ATOM 1201 CE1 PHE A 149 13.701 23.163 -40.188 1.00 87.75 C +ATOM 1202 CE2 PHE A 149 15.553 21.763 -40.928 1.00 87.75 C +ATOM 1203 CZ PHE A 149 14.863 22.987 -40.953 1.00 87.75 C +ATOM 1204 N PHE A 150 16.289 21.160 -37.192 1.00 88.62 N +ATOM 1205 CA PHE A 150 16.970 22.394 -36.821 1.00 88.62 C +ATOM 1206 C PHE A 150 17.030 23.340 -38.023 1.00 88.62 C +ATOM 1207 CB PHE A 150 18.372 22.057 -36.291 1.00 88.62 C +ATOM 1208 O PHE A 150 17.614 23.005 -39.049 1.00 88.62 O +ATOM 1209 CG PHE A 150 18.349 21.254 -35.003 1.00 88.62 C +ATOM 1210 CD1 PHE A 150 18.359 21.914 -33.760 1.00 88.62 C +ATOM 1211 CD2 PHE A 150 18.254 19.850 -35.044 1.00 88.62 C +ATOM 1212 CE1 PHE A 150 18.266 21.176 -32.565 1.00 88.62 C +ATOM 1213 CE2 PHE A 150 18.140 19.115 -33.852 1.00 88.62 C +ATOM 1214 CZ PHE A 150 18.149 19.775 -32.610 1.00 88.62 C +ATOM 1215 N ASN A 151 16.493 24.557 -37.873 1.00 84.12 N +ATOM 1216 CA ASN A 151 16.511 25.613 -38.901 1.00 84.12 C +ATOM 1217 C ASN A 151 17.891 26.299 -39.050 1.00 84.12 C +ATOM 1218 CB ASN A 151 15.362 26.603 -38.626 1.00 84.12 C +ATOM 1219 O ASN A 151 17.989 27.506 -39.269 1.00 84.12 O +ATOM 1220 CG ASN A 151 15.039 27.485 -39.826 1.00 84.12 C +ATOM 1221 ND2 ASN A 151 14.437 28.630 -39.606 1.00 84.12 N +ATOM 1222 OD1 ASN A 151 15.257 27.137 -40.975 1.00 84.12 O +ATOM 1223 N THR A 152 18.960 25.531 -38.860 1.00 88.12 N +ATOM 1224 CA THR A 152 20.358 25.909 -39.068 1.00 88.12 C +ATOM 1225 C THR A 152 21.003 24.838 -39.939 1.00 88.12 C +ATOM 1226 CB THR A 152 21.137 26.035 -37.742 1.00 88.12 C +ATOM 1227 O THR A 152 20.613 23.669 -39.879 1.00 88.12 O +ATOM 1228 CG2 THR A 152 20.566 27.114 -36.821 1.00 88.12 C +ATOM 1229 OG1 THR A 152 21.136 24.822 -37.019 1.00 88.12 O +ATOM 1230 N SER A 153 22.022 25.199 -40.713 1.00 88.75 N +ATOM 1231 CA SER A 153 22.874 24.206 -41.372 1.00 88.75 C +ATOM 1232 C SER A 153 23.644 23.373 -40.327 1.00 88.75 C +ATOM 1233 CB SER A 153 23.800 24.880 -42.396 1.00 88.75 C +ATOM 1234 O SER A 153 23.662 23.705 -39.135 1.00 88.75 O +ATOM 1235 OG SER A 153 23.130 25.917 -43.101 1.00 88.75 O +ATOM 1236 N PHE A 154 24.252 22.260 -40.747 1.00 91.12 N +ATOM 1237 CA PHE A 154 24.980 21.370 -39.834 1.00 91.12 C +ATOM 1238 C PHE A 154 26.157 22.102 -39.141 1.00 91.12 C +ATOM 1239 CB PHE A 154 25.452 20.130 -40.603 1.00 91.12 C +ATOM 1240 O PHE A 154 26.933 22.779 -39.822 1.00 91.12 O +ATOM 1241 CG PHE A 154 26.164 19.096 -39.750 1.00 91.12 C +ATOM 1242 CD1 PHE A 154 27.569 19.074 -39.696 1.00 91.12 C +ATOM 1243 CD2 PHE A 154 25.427 18.141 -39.023 1.00 91.12 C +ATOM 1244 CE1 PHE A 154 28.233 18.103 -38.927 1.00 91.12 C +ATOM 1245 CE2 PHE A 154 26.091 17.168 -38.252 1.00 91.12 C +ATOM 1246 CZ PHE A 154 27.496 17.146 -38.208 1.00 91.12 C +ATOM 1247 N PRO A 155 26.308 21.994 -37.806 1.00 91.94 N +ATOM 1248 CA PRO A 155 27.350 22.697 -37.059 1.00 91.94 C +ATOM 1249 C PRO A 155 28.755 22.161 -37.369 1.00 91.94 C +ATOM 1250 CB PRO A 155 26.980 22.516 -35.583 1.00 91.94 C +ATOM 1251 O PRO A 155 28.938 21.003 -37.737 1.00 91.94 O +ATOM 1252 CG PRO A 155 26.253 21.175 -35.579 1.00 91.94 C +ATOM 1253 CD PRO A 155 25.484 21.215 -36.894 1.00 91.94 C +ATOM 1254 N ALA A 156 29.782 22.990 -37.171 1.00 90.56 N +ATOM 1255 CA ALA A 156 31.166 22.571 -37.374 1.00 90.56 C +ATOM 1256 C ALA A 156 31.550 21.424 -36.421 1.00 90.56 C +ATOM 1257 CB ALA A 156 32.088 23.784 -37.196 1.00 90.56 C +ATOM 1258 O ALA A 156 31.228 21.466 -35.232 1.00 90.56 O +ATOM 1259 N CYS A 157 32.312 20.442 -36.909 1.00 88.94 N +ATOM 1260 CA CYS A 157 32.695 19.245 -36.149 1.00 88.94 C +ATOM 1261 C CYS A 157 33.377 19.536 -34.798 1.00 88.94 C +ATOM 1262 CB CYS A 157 33.628 18.412 -37.034 1.00 88.94 C +ATOM 1263 O CYS A 157 33.206 18.781 -33.849 1.00 88.94 O +ATOM 1264 SG CYS A 157 32.885 17.910 -38.602 1.00 88.94 S +ATOM 1265 N SER A 158 34.117 20.645 -34.691 1.00 86.50 N +ATOM 1266 CA SER A 158 34.777 21.102 -33.459 1.00 86.50 C +ATOM 1267 C SER A 158 33.840 21.771 -32.441 1.00 86.50 C +ATOM 1268 CB SER A 158 35.897 22.081 -33.828 1.00 86.50 C +ATOM 1269 O SER A 158 34.265 22.042 -31.321 1.00 86.50 O +ATOM 1270 OG SER A 158 35.389 23.096 -34.681 1.00 86.50 O +ATOM 1271 N SER A 159 32.593 22.068 -32.818 1.00 89.00 N +ATOM 1272 CA SER A 159 31.581 22.684 -31.944 1.00 89.00 C +ATOM 1273 C SER A 159 30.616 21.675 -31.309 1.00 89.00 C +ATOM 1274 CB SER A 159 30.825 23.788 -32.692 1.00 89.00 C +ATOM 1275 O SER A 159 29.937 22.010 -30.341 1.00 89.00 O +ATOM 1276 OG SER A 159 29.997 23.290 -33.726 1.00 89.00 O +ATOM 1277 N LEU A 160 30.587 20.440 -31.819 1.00 88.31 N +ATOM 1278 CA LEU A 160 29.805 19.336 -31.263 1.00 88.31 C +ATOM 1279 C LEU A 160 30.491 18.757 -30.020 1.00 88.31 C +ATOM 1280 CB LEU A 160 29.623 18.255 -32.344 1.00 88.31 C +ATOM 1281 O LEU A 160 31.691 18.475 -30.031 1.00 88.31 O +ATOM 1282 CG LEU A 160 28.682 18.662 -33.492 1.00 88.31 C +ATOM 1283 CD1 LEU A 160 28.726 17.620 -34.610 1.00 88.31 C +ATOM 1284 CD2 LEU A 160 27.233 18.774 -33.007 1.00 88.31 C +ATOM 1285 N LYS A 161 29.729 18.537 -28.946 1.00 89.25 N +ATOM 1286 CA LYS A 161 30.256 17.907 -27.724 1.00 89.25 C +ATOM 1287 C LYS A 161 30.398 16.393 -27.934 1.00 89.25 C +ATOM 1288 CB LYS A 161 29.340 18.223 -26.534 1.00 89.25 C +ATOM 1289 O LYS A 161 29.514 15.805 -28.555 1.00 89.25 O +ATOM 1290 CG LYS A 161 29.328 19.725 -26.218 1.00 89.25 C +ATOM 1291 CD LYS A 161 28.317 20.047 -25.115 1.00 89.25 C +ATOM 1292 CE LYS A 161 28.312 21.561 -24.886 1.00 89.25 C +ATOM 1293 NZ LYS A 161 27.207 21.968 -23.986 1.00 89.25 N +ATOM 1294 N PRO A 162 31.395 15.704 -27.347 1.00 86.75 N +ATOM 1295 CA PRO A 162 31.527 14.246 -27.466 1.00 86.75 C +ATOM 1296 C PRO A 162 30.257 13.458 -27.123 1.00 86.75 C +ATOM 1297 CB PRO A 162 32.715 13.886 -26.574 1.00 86.75 C +ATOM 1298 O PRO A 162 29.908 12.516 -27.827 1.00 86.75 O +ATOM 1299 CG PRO A 162 33.611 15.104 -26.787 1.00 86.75 C +ATOM 1300 CD PRO A 162 32.598 16.247 -26.729 1.00 86.75 C +ATOM 1301 N ARG A 163 29.469 13.907 -26.138 1.00 88.31 N +ATOM 1302 CA ARG A 163 28.144 13.329 -25.844 1.00 88.31 C +ATOM 1303 C ARG A 163 27.171 13.357 -27.037 1.00 88.31 C +ATOM 1304 CB ARG A 163 27.566 14.037 -24.611 1.00 88.31 C +ATOM 1305 O ARG A 163 26.411 12.407 -27.199 1.00 88.31 O +ATOM 1306 CG ARG A 163 26.240 13.408 -24.163 1.00 88.31 C +ATOM 1307 CD ARG A 163 25.736 14.060 -22.873 1.00 88.31 C +ATOM 1308 NE ARG A 163 24.396 13.549 -22.527 1.00 88.31 N +ATOM 1309 NH1 ARG A 163 23.966 14.964 -20.770 1.00 88.31 N +ATOM 1310 NH2 ARG A 163 22.388 13.548 -21.463 1.00 88.31 N +ATOM 1311 CZ ARG A 163 23.597 14.019 -21.588 1.00 88.31 C +ATOM 1312 N GLU A 164 27.197 14.414 -27.846 1.00 88.00 N +ATOM 1313 CA GLU A 164 26.366 14.605 -29.048 1.00 88.00 C +ATOM 1314 C GLU A 164 26.918 13.841 -30.264 1.00 88.00 C +ATOM 1315 CB GLU A 164 26.280 16.110 -29.379 1.00 88.00 C +ATOM 1316 O GLU A 164 26.157 13.504 -31.166 1.00 88.00 O +ATOM 1317 CG GLU A 164 25.626 16.949 -28.262 1.00 88.00 C +ATOM 1318 CD GLU A 164 25.915 18.460 -28.340 1.00 88.00 C +ATOM 1319 OE1 GLU A 164 25.279 19.190 -27.545 1.00 88.00 O +ATOM 1320 OE2 GLU A 164 26.831 18.872 -29.088 1.00 88.00 O +ATOM 1321 N LEU A 165 28.222 13.536 -30.268 1.00 89.88 N +ATOM 1322 CA LEU A 165 28.881 12.671 -31.256 1.00 89.88 C +ATOM 1323 C LEU A 165 28.644 11.171 -30.985 1.00 89.88 C +ATOM 1324 CB LEU A 165 30.394 12.981 -31.270 1.00 89.88 C +ATOM 1325 O LEU A 165 28.731 10.363 -31.907 1.00 89.88 O +ATOM 1326 CG LEU A 165 30.779 14.426 -31.649 1.00 89.88 C +ATOM 1327 CD1 LEU A 165 32.280 14.642 -31.473 1.00 89.88 C +ATOM 1328 CD2 LEU A 165 30.453 14.735 -33.108 1.00 89.88 C +ATOM 1329 N CYS A 166 28.356 10.807 -29.730 1.00 90.94 N +ATOM 1330 CA CYS A 166 28.206 9.423 -29.277 1.00 90.94 C +ATOM 1331 C CYS A 166 26.773 8.871 -29.333 1.00 90.94 C +ATOM 1332 CB CYS A 166 28.706 9.328 -27.834 1.00 90.94 C +ATOM 1333 O CYS A 166 26.550 7.761 -29.801 1.00 90.94 O +ATOM 1334 SG CYS A 166 30.493 9.377 -27.613 1.00 90.94 S +ATOM 1335 N PHE A 167 25.788 9.578 -28.770 1.00 90.25 N +ATOM 1336 CA PHE A 167 24.452 9.004 -28.560 1.00 90.25 C +ATOM 1337 C PHE A 167 23.337 10.033 -28.799 1.00 90.25 C +ATOM 1338 CB PHE A 167 24.339 8.418 -27.140 1.00 90.25 C +ATOM 1339 O PHE A 167 23.510 11.207 -28.463 1.00 90.25 O +ATOM 1340 CG PHE A 167 25.267 7.254 -26.818 1.00 90.25 C +ATOM 1341 CD1 PHE A 167 25.014 5.972 -27.344 1.00 90.25 C +ATOM 1342 CD2 PHE A 167 26.373 7.443 -25.965 1.00 90.25 C +ATOM 1343 CE1 PHE A 167 25.853 4.892 -27.015 1.00 90.25 C +ATOM 1344 CE2 PHE A 167 27.208 6.360 -25.628 1.00 90.25 C +ATOM 1345 CZ PHE A 167 26.949 5.085 -26.156 1.00 90.25 C +ATOM 1346 N PRO A 168 22.154 9.614 -29.297 1.00 86.06 N +ATOM 1347 CA PRO A 168 20.993 10.494 -29.386 1.00 86.06 C +ATOM 1348 C PRO A 168 20.514 10.956 -28.002 1.00 86.06 C +ATOM 1349 CB PRO A 168 19.900 9.692 -30.110 1.00 86.06 C +ATOM 1350 O PRO A 168 20.723 10.285 -26.991 1.00 86.06 O +ATOM 1351 CG PRO A 168 20.666 8.567 -30.805 1.00 86.06 C +ATOM 1352 CD PRO A 168 21.812 8.304 -29.833 1.00 86.06 C +ATOM 1353 N GLU A 169 19.783 12.072 -27.962 1.00 81.62 N +ATOM 1354 CA GLU A 169 19.185 12.599 -26.724 1.00 81.62 C +ATOM 1355 C GLU A 169 18.199 11.611 -26.081 1.00 81.62 C +ATOM 1356 CB GLU A 169 18.458 13.915 -27.035 1.00 81.62 C +ATOM 1357 O GLU A 169 18.205 11.422 -24.862 1.00 81.62 O +ATOM 1358 CG GLU A 169 19.441 15.056 -27.333 1.00 81.62 C +ATOM 1359 CD GLU A 169 18.760 16.296 -27.925 1.00 81.62 C +ATOM 1360 OE1 GLU A 169 19.510 17.100 -28.526 1.00 81.62 O +ATOM 1361 OE2 GLU A 169 17.518 16.396 -27.868 1.00 81.62 O +ATOM 1362 N THR A 170 17.384 10.938 -26.901 1.00 80.06 N +ATOM 1363 CA THR A 170 16.458 9.902 -26.429 1.00 80.06 C +ATOM 1364 C THR A 170 17.175 8.559 -26.331 1.00 80.06 C +ATOM 1365 CB THR A 170 15.198 9.796 -27.299 1.00 80.06 C +ATOM 1366 O THR A 170 17.447 7.908 -27.344 1.00 80.06 O +ATOM 1367 CG2 THR A 170 14.215 8.775 -26.723 1.00 80.06 C +ATOM 1368 OG1 THR A 170 14.512 11.023 -27.293 1.00 80.06 O +ATOM 1369 N ARG A 171 17.441 8.124 -25.093 1.00 82.88 N +ATOM 1370 CA ARG A 171 18.036 6.810 -24.797 1.00 82.88 C +ATOM 1371 C ARG A 171 17.184 5.669 -25.379 1.00 82.88 C +ATOM 1372 CB ARG A 171 18.210 6.604 -23.284 1.00 82.88 C +ATOM 1373 O ARG A 171 15.954 5.758 -25.350 1.00 82.88 O +ATOM 1374 CG ARG A 171 19.213 7.584 -22.662 1.00 82.88 C +ATOM 1375 CD ARG A 171 19.387 7.271 -21.171 1.00 82.88 C +ATOM 1376 NE ARG A 171 20.295 8.235 -20.515 1.00 82.88 N +ATOM 1377 NH1 ARG A 171 19.642 7.853 -18.343 1.00 82.88 N +ATOM 1378 NH2 ARG A 171 21.259 9.323 -18.759 1.00 82.88 N +ATOM 1379 CZ ARG A 171 20.390 8.467 -19.217 1.00 82.88 C +ATOM 1380 N PRO A 172 17.805 4.595 -25.894 1.00 83.25 N +ATOM 1381 CA PRO A 172 17.068 3.437 -26.376 1.00 83.25 C +ATOM 1382 C PRO A 172 16.422 2.651 -25.227 1.00 83.25 C +ATOM 1383 CB PRO A 172 18.104 2.595 -27.119 1.00 83.25 C +ATOM 1384 O PRO A 172 16.893 2.673 -24.093 1.00 83.25 O +ATOM 1385 CG PRO A 172 19.397 2.878 -26.357 1.00 83.25 C +ATOM 1386 CD PRO A 172 19.241 4.354 -25.984 1.00 83.25 C +ATOM 1387 N SER A 173 15.363 1.915 -25.555 1.00 85.44 N +ATOM 1388 CA SER A 173 14.801 0.838 -24.740 1.00 85.44 C +ATOM 1389 C SER A 173 14.357 -0.259 -25.697 1.00 85.44 C +ATOM 1390 CB SER A 173 13.629 1.348 -23.899 1.00 85.44 C +ATOM 1391 O SER A 173 13.646 0.035 -26.662 1.00 85.44 O +ATOM 1392 OG SER A 173 13.033 0.273 -23.202 1.00 85.44 O +ATOM 1393 N PHE A 174 14.843 -1.481 -25.486 1.00 94.81 N +ATOM 1394 CA PHE A 174 14.675 -2.584 -26.431 1.00 94.81 C +ATOM 1395 C PHE A 174 13.642 -3.598 -25.953 1.00 94.81 C +ATOM 1396 CB PHE A 174 16.023 -3.252 -26.713 1.00 94.81 C +ATOM 1397 O PHE A 174 13.566 -3.912 -24.761 1.00 94.81 O +ATOM 1398 CG PHE A 174 17.050 -2.298 -27.282 1.00 94.81 C +ATOM 1399 CD1 PHE A 174 17.036 -1.980 -28.653 1.00 94.81 C +ATOM 1400 CD2 PHE A 174 18.006 -1.711 -26.436 1.00 94.81 C +ATOM 1401 CE1 PHE A 174 18.005 -1.110 -29.184 1.00 94.81 C +ATOM 1402 CE2 PHE A 174 18.958 -0.827 -26.962 1.00 94.81 C +ATOM 1403 CZ PHE A 174 18.972 -0.538 -28.338 1.00 94.81 C +ATOM 1404 N ARG A 175 12.878 -4.127 -26.910 1.00 94.31 N +ATOM 1405 CA ARG A 175 11.900 -5.200 -26.719 1.00 94.31 C +ATOM 1406 C ARG A 175 12.416 -6.453 -27.410 1.00 94.31 C +ATOM 1407 CB ARG A 175 10.525 -4.789 -27.276 1.00 94.31 C +ATOM 1408 O ARG A 175 12.675 -6.418 -28.612 1.00 94.31 O +ATOM 1409 CG ARG A 175 10.043 -3.453 -26.696 1.00 94.31 C +ATOM 1410 CD ARG A 175 8.582 -3.174 -27.058 1.00 94.31 C +ATOM 1411 NE ARG A 175 8.150 -1.918 -26.420 1.00 94.31 N +ATOM 1412 NH1 ARG A 175 6.526 -1.280 -27.913 1.00 94.31 N +ATOM 1413 NH2 ARG A 175 7.163 0.114 -26.306 1.00 94.31 N +ATOM 1414 CZ ARG A 175 7.276 -1.047 -26.877 1.00 94.31 C +ATOM 1415 N ILE A 176 12.576 -7.532 -26.655 1.00 95.31 N +ATOM 1416 CA ILE A 176 12.958 -8.853 -27.160 1.00 95.31 C +ATOM 1417 C ILE A 176 11.926 -9.843 -26.624 1.00 95.31 C +ATOM 1418 CB ILE A 176 14.414 -9.191 -26.748 1.00 95.31 C +ATOM 1419 O ILE A 176 11.671 -9.836 -25.425 1.00 95.31 O +ATOM 1420 CG1 ILE A 176 15.391 -8.147 -27.347 1.00 95.31 C +ATOM 1421 CG2 ILE A 176 14.792 -10.617 -27.183 1.00 95.31 C +ATOM 1422 CD1 ILE A 176 16.880 -8.439 -27.116 1.00 95.31 C +ATOM 1423 N ARG A 177 11.312 -10.645 -27.496 1.00 93.19 N +ATOM 1424 CA ARG A 177 10.496 -11.792 -27.081 1.00 93.19 C +ATOM 1425 C ARG A 177 11.411 -12.892 -26.556 1.00 93.19 C +ATOM 1426 CB ARG A 177 9.718 -12.341 -28.279 1.00 93.19 C +ATOM 1427 O ARG A 177 12.495 -13.094 -27.110 1.00 93.19 O +ATOM 1428 CG ARG A 177 8.607 -11.427 -28.791 1.00 93.19 C +ATOM 1429 CD ARG A 177 8.018 -12.075 -30.053 1.00 93.19 C +ATOM 1430 NE ARG A 177 6.772 -11.427 -30.486 1.00 93.19 N +ATOM 1431 NH1 ARG A 177 5.436 -12.357 -28.855 1.00 93.19 N +ATOM 1432 NH2 ARG A 177 4.588 -10.864 -30.288 1.00 93.19 N +ATOM 1433 CZ ARG A 177 5.613 -11.555 -29.869 1.00 93.19 C +ATOM 1434 N GLU A 178 10.992 -13.588 -25.517 1.00 93.56 N +ATOM 1435 CA GLU A 178 11.642 -14.837 -25.122 1.00 93.56 C +ATOM 1436 C GLU A 178 11.439 -15.961 -26.130 1.00 93.56 C +ATOM 1437 CB GLU A 178 11.135 -15.272 -23.766 1.00 93.56 C +ATOM 1438 O GLU A 178 10.631 -15.849 -27.047 1.00 93.56 O +ATOM 1439 CG GLU A 178 9.644 -15.629 -23.784 1.00 93.56 C +ATOM 1440 CD GLU A 178 9.044 -15.537 -22.393 1.00 93.56 C +ATOM 1441 OE1 GLU A 178 7.873 -15.929 -22.286 1.00 93.56 O +ATOM 1442 OE2 GLU A 178 9.701 -14.903 -21.537 1.00 93.56 O +ATOM 1443 N ASN A 179 12.223 -17.030 -25.990 1.00 91.94 N +ATOM 1444 CA ASN A 179 12.150 -18.254 -26.786 1.00 91.94 C +ATOM 1445 C ASN A 179 12.299 -18.057 -28.316 1.00 91.94 C +ATOM 1446 CB ASN A 179 10.912 -19.043 -26.313 1.00 91.94 C +ATOM 1447 O ASN A 179 12.258 -19.019 -29.084 1.00 91.94 O +ATOM 1448 CG ASN A 179 11.046 -19.471 -24.853 1.00 91.94 C +ATOM 1449 ND2 ASN A 179 9.981 -19.398 -24.092 1.00 91.94 N +ATOM 1450 OD1 ASN A 179 12.124 -19.880 -24.439 1.00 91.94 O +ATOM 1451 N ARG A 180 12.570 -16.826 -28.780 1.00 91.75 N +ATOM 1452 CA ARG A 180 12.788 -16.477 -30.191 1.00 91.75 C +ATOM 1453 C ARG A 180 14.263 -16.534 -30.607 1.00 91.75 C +ATOM 1454 CB ARG A 180 12.142 -15.120 -30.540 1.00 91.75 C +ATOM 1455 O ARG A 180 15.159 -16.276 -29.795 1.00 91.75 O +ATOM 1456 CG ARG A 180 10.626 -15.040 -30.285 1.00 91.75 C +ATOM 1457 CD ARG A 180 9.835 -16.226 -30.843 1.00 91.75 C +ATOM 1458 NE ARG A 180 8.409 -16.192 -30.481 1.00 91.75 N +ATOM 1459 NH1 ARG A 180 7.696 -17.675 -32.087 1.00 91.75 N +ATOM 1460 NH2 ARG A 180 6.312 -17.049 -30.472 1.00 91.75 N +ATOM 1461 CZ ARG A 180 7.481 -16.956 -31.018 1.00 91.75 C +ATOM 1462 N PRO A 181 14.553 -16.842 -31.887 1.00 92.94 N +ATOM 1463 CA PRO A 181 15.917 -16.864 -32.401 1.00 92.94 C +ATOM 1464 C PRO A 181 16.644 -15.513 -32.233 1.00 92.94 C +ATOM 1465 CB PRO A 181 15.785 -17.232 -33.878 1.00 92.94 C +ATOM 1466 O PRO A 181 16.116 -14.474 -32.633 1.00 92.94 O +ATOM 1467 CG PRO A 181 14.470 -18.005 -33.951 1.00 92.94 C +ATOM 1468 CD PRO A 181 13.619 -17.288 -32.914 1.00 92.94 C +ATOM 1469 N PRO A 182 17.884 -15.493 -31.713 1.00 93.25 N +ATOM 1470 CA PRO A 182 18.623 -14.250 -31.525 1.00 93.25 C +ATOM 1471 C PRO A 182 19.060 -13.616 -32.859 1.00 93.25 C +ATOM 1472 CB PRO A 182 19.812 -14.631 -30.643 1.00 93.25 C +ATOM 1473 O PRO A 182 19.281 -14.299 -33.862 1.00 93.25 O +ATOM 1474 CG PRO A 182 20.074 -16.089 -31.012 1.00 93.25 C +ATOM 1475 CD PRO A 182 18.662 -16.627 -31.235 1.00 93.25 C +ATOM 1476 N GLY A 183 19.255 -12.294 -32.849 1.00 92.94 N +ATOM 1477 CA GLY A 183 19.709 -11.515 -34.005 1.00 92.94 C +ATOM 1478 C GLY A 183 20.317 -10.162 -33.619 1.00 92.94 C +ATOM 1479 O GLY A 183 20.477 -9.860 -32.433 1.00 92.94 O +ATOM 1480 N THR A 184 20.667 -9.350 -34.621 1.00 94.88 N +ATOM 1481 CA THR A 184 21.117 -7.960 -34.429 1.00 94.88 C +ATOM 1482 C THR A 184 19.915 -7.048 -34.179 1.00 94.88 C +ATOM 1483 CB THR A 184 21.936 -7.438 -35.625 1.00 94.88 C +ATOM 1484 O THR A 184 18.950 -7.060 -34.940 1.00 94.88 O +ATOM 1485 CG2 THR A 184 22.453 -6.023 -35.378 1.00 94.88 C +ATOM 1486 OG1 THR A 184 23.080 -8.239 -35.822 1.00 94.88 O +ATOM 1487 N PHE A 185 19.972 -6.230 -33.126 1.00 94.94 N +ATOM 1488 CA PHE A 185 18.849 -5.375 -32.711 1.00 94.94 C +ATOM 1489 C PHE A 185 19.198 -3.886 -32.569 1.00 94.94 C +ATOM 1490 CB PHE A 185 18.252 -5.952 -31.424 1.00 94.94 C +ATOM 1491 O PHE A 185 18.293 -3.061 -32.384 1.00 94.94 O +ATOM 1492 CG PHE A 185 19.144 -5.885 -30.203 1.00 94.94 C +ATOM 1493 CD1 PHE A 185 19.948 -6.983 -29.856 1.00 94.94 C +ATOM 1494 CD2 PHE A 185 19.135 -4.738 -29.389 1.00 94.94 C +ATOM 1495 CE1 PHE A 185 20.728 -6.940 -28.689 1.00 94.94 C +ATOM 1496 CE2 PHE A 185 19.909 -4.694 -28.217 1.00 94.94 C +ATOM 1497 CZ PHE A 185 20.701 -5.801 -27.863 1.00 94.94 C +ATOM 1498 N HIS A 186 20.484 -3.534 -32.645 1.00 95.06 N +ATOM 1499 CA HIS A 186 20.976 -2.162 -32.558 1.00 95.06 C +ATOM 1500 C HIS A 186 22.330 -1.994 -33.261 1.00 95.06 C +ATOM 1501 CB HIS A 186 21.095 -1.772 -31.078 1.00 95.06 C +ATOM 1502 O HIS A 186 23.078 -2.953 -33.423 1.00 95.06 O +ATOM 1503 CG HIS A 186 21.458 -0.329 -30.847 1.00 95.06 C +ATOM 1504 CD2 HIS A 186 22.526 0.129 -30.125 1.00 95.06 C +ATOM 1505 ND1 HIS A 186 20.821 0.774 -31.374 1.00 95.06 N +ATOM 1506 CE1 HIS A 186 21.490 1.868 -30.967 1.00 95.06 C +ATOM 1507 NE2 HIS A 186 22.504 1.525 -30.162 1.00 95.06 N +ATOM 1508 N GLN A 187 22.664 -0.751 -33.608 1.00 93.81 N +ATOM 1509 CA GLN A 187 23.923 -0.344 -34.220 1.00 93.81 C +ATOM 1510 C GLN A 187 24.291 1.043 -33.657 1.00 93.81 C +ATOM 1511 CB GLN A 187 23.722 -0.384 -35.748 1.00 93.81 C +ATOM 1512 O GLN A 187 23.408 1.889 -33.504 1.00 93.81 O +ATOM 1513 CG GLN A 187 25.017 -0.419 -36.564 1.00 93.81 C +ATOM 1514 CD GLN A 187 25.788 0.882 -36.508 1.00 93.81 C +ATOM 1515 NE2 GLN A 187 27.094 0.833 -36.411 1.00 93.81 N +ATOM 1516 OE1 GLN A 187 25.244 1.970 -36.506 1.00 93.81 O +ATOM 1517 N PHE A 188 25.560 1.256 -33.288 1.00 92.44 N +ATOM 1518 CA PHE A 188 25.983 2.431 -32.504 1.00 92.44 C +ATOM 1519 C PHE A 188 26.329 3.707 -33.299 1.00 92.44 C +ATOM 1520 CB PHE A 188 27.194 2.044 -31.638 1.00 92.44 C +ATOM 1521 O PHE A 188 26.429 4.775 -32.700 1.00 92.44 O +ATOM 1522 CG PHE A 188 26.893 1.211 -30.408 1.00 92.44 C +ATOM 1523 CD1 PHE A 188 26.090 1.750 -29.385 1.00 92.44 C +ATOM 1524 CD2 PHE A 188 27.450 -0.072 -30.250 1.00 92.44 C +ATOM 1525 CE1 PHE A 188 25.831 1.010 -28.218 1.00 92.44 C +ATOM 1526 CE2 PHE A 188 27.205 -0.806 -29.075 1.00 92.44 C +ATOM 1527 CZ PHE A 188 26.392 -0.268 -28.062 1.00 92.44 C +ATOM 1528 N ARG A 189 26.568 3.640 -34.616 1.00 90.56 N +ATOM 1529 CA ARG A 189 27.094 4.782 -35.392 1.00 90.56 C +ATOM 1530 C ARG A 189 25.995 5.817 -35.651 1.00 90.56 C +ATOM 1531 CB ARG A 189 27.715 4.322 -36.729 1.00 90.56 C +ATOM 1532 O ARG A 189 24.987 5.510 -36.280 1.00 90.56 O +ATOM 1533 CG ARG A 189 29.036 3.552 -36.579 1.00 90.56 C +ATOM 1534 CD ARG A 189 29.416 2.812 -37.877 1.00 90.56 C +ATOM 1535 NE ARG A 189 30.734 2.155 -37.751 1.00 90.56 N +ATOM 1536 NH1 ARG A 189 30.505 0.518 -39.356 1.00 90.56 N +ATOM 1537 NH2 ARG A 189 32.288 0.523 -38.024 1.00 90.56 N +ATOM 1538 CZ ARG A 189 31.165 1.074 -38.381 1.00 90.56 C +ATOM 1539 N LEU A 190 26.242 7.071 -35.271 1.00 92.69 N +ATOM 1540 CA LEU A 190 25.462 8.217 -35.747 1.00 92.69 C +ATOM 1541 C LEU A 190 25.884 8.540 -37.189 1.00 92.69 C +ATOM 1542 CB LEU A 190 25.651 9.415 -34.795 1.00 92.69 C +ATOM 1543 O LEU A 190 26.895 9.209 -37.414 1.00 92.69 O +ATOM 1544 CG LEU A 190 25.203 9.186 -33.340 1.00 92.69 C +ATOM 1545 CD1 LEU A 190 25.286 10.503 -32.569 1.00 92.69 C +ATOM 1546 CD2 LEU A 190 23.764 8.681 -33.238 1.00 92.69 C +ATOM 1547 N LEU A 191 25.145 8.026 -38.177 1.00 94.19 N +ATOM 1548 CA LEU A 191 25.589 8.042 -39.577 1.00 94.19 C +ATOM 1549 C LEU A 191 25.800 9.459 -40.153 1.00 94.19 C +ATOM 1550 CB LEU A 191 24.673 7.196 -40.482 1.00 94.19 C +ATOM 1551 O LEU A 191 26.836 9.651 -40.794 1.00 94.19 O +ATOM 1552 CG LEU A 191 24.312 5.788 -39.972 1.00 94.19 C +ATOM 1553 CD1 LEU A 191 23.388 5.096 -40.972 1.00 94.19 C +ATOM 1554 CD2 LEU A 191 25.550 4.905 -39.801 1.00 94.19 C +ATOM 1555 N PRO A 192 24.948 10.477 -39.887 1.00 93.19 N +ATOM 1556 CA PRO A 192 25.192 11.840 -40.363 1.00 93.19 C +ATOM 1557 C PRO A 192 26.457 12.450 -39.753 1.00 93.19 C +ATOM 1558 CB PRO A 192 23.952 12.657 -39.973 1.00 93.19 C +ATOM 1559 O PRO A 192 27.190 13.164 -40.433 1.00 93.19 O +ATOM 1560 CG PRO A 192 22.860 11.610 -39.782 1.00 93.19 C +ATOM 1561 CD PRO A 192 23.639 10.411 -39.253 1.00 93.19 C +ATOM 1562 N VAL A 193 26.744 12.139 -38.483 1.00 92.19 N +ATOM 1563 CA VAL A 193 27.939 12.622 -37.776 1.00 92.19 C +ATOM 1564 C VAL A 193 29.195 12.000 -38.378 1.00 92.19 C +ATOM 1565 CB VAL A 193 27.853 12.328 -36.266 1.00 92.19 C +ATOM 1566 O VAL A 193 30.129 12.725 -38.704 1.00 92.19 O +ATOM 1567 CG1 VAL A 193 29.116 12.771 -35.524 1.00 92.19 C +ATOM 1568 CG2 VAL A 193 26.656 13.044 -35.625 1.00 92.19 C +ATOM 1569 N GLN A 194 29.213 10.683 -38.597 1.00 89.62 N +ATOM 1570 CA GLN A 194 30.354 10.015 -39.230 1.00 89.62 C +ATOM 1571 C GLN A 194 30.549 10.454 -40.693 1.00 89.62 C +ATOM 1572 CB GLN A 194 30.168 8.495 -39.107 1.00 89.62 C +ATOM 1573 O GLN A 194 31.683 10.563 -41.152 1.00 89.62 O +ATOM 1574 CG GLN A 194 31.408 7.738 -39.609 1.00 89.62 C +ATOM 1575 CD GLN A 194 31.305 6.225 -39.465 1.00 89.62 C +ATOM 1576 NE2 GLN A 194 32.240 5.490 -40.025 1.00 89.62 N +ATOM 1577 OE1 GLN A 194 30.407 5.667 -38.859 1.00 89.62 O +ATOM 1578 N PHE A 195 29.460 10.728 -41.418 1.00 92.44 N +ATOM 1579 CA PHE A 195 29.497 11.185 -42.809 1.00 92.44 C +ATOM 1580 C PHE A 195 30.038 12.618 -42.950 1.00 92.44 C +ATOM 1581 CB PHE A 195 28.082 11.049 -43.393 1.00 92.44 C +ATOM 1582 O PHE A 195 30.820 12.890 -43.858 1.00 92.44 O +ATOM 1583 CG PHE A 195 27.966 11.378 -44.868 1.00 92.44 C +ATOM 1584 CD1 PHE A 195 27.472 12.630 -45.283 1.00 92.44 C +ATOM 1585 CD2 PHE A 195 28.348 10.425 -45.830 1.00 92.44 C +ATOM 1586 CE1 PHE A 195 27.367 12.930 -46.653 1.00 92.44 C +ATOM 1587 CE2 PHE A 195 28.237 10.721 -47.200 1.00 92.44 C +ATOM 1588 CZ PHE A 195 27.747 11.974 -47.611 1.00 92.44 C +ATOM 1589 N LEU A 196 29.650 13.529 -42.050 1.00 91.31 N +ATOM 1590 CA LEU A 196 30.035 14.947 -42.101 1.00 91.31 C +ATOM 1591 C LEU A 196 31.321 15.260 -41.313 1.00 91.31 C +ATOM 1592 CB LEU A 196 28.840 15.803 -41.634 1.00 91.31 C +ATOM 1593 O LEU A 196 32.015 16.222 -41.636 1.00 91.31 O +ATOM 1594 CG LEU A 196 27.587 15.666 -42.527 1.00 91.31 C +ATOM 1595 CD1 LEU A 196 26.387 16.379 -41.909 1.00 91.31 C +ATOM 1596 CD2 LEU A 196 27.797 16.255 -43.925 1.00 91.31 C +ATOM 1597 N CYS A 197 31.674 14.434 -40.324 1.00 90.75 N +ATOM 1598 CA CYS A 197 32.868 14.570 -39.483 1.00 90.75 C +ATOM 1599 C CYS A 197 33.758 13.305 -39.483 1.00 90.75 C +ATOM 1600 CB CYS A 197 32.432 14.986 -38.068 1.00 90.75 C +ATOM 1601 O CYS A 197 34.120 12.817 -38.409 1.00 90.75 O +ATOM 1602 SG CYS A 197 31.510 16.541 -37.998 1.00 90.75 S +ATOM 1603 N PRO A 198 34.180 12.780 -40.654 1.00 89.50 N +ATOM 1604 CA PRO A 198 34.894 11.499 -40.763 1.00 89.50 C +ATOM 1605 C PRO A 198 36.277 11.478 -40.090 1.00 89.50 C +ATOM 1606 CB PRO A 198 35.015 11.243 -42.272 1.00 89.50 C +ATOM 1607 O PRO A 198 36.832 10.409 -39.857 1.00 89.50 O +ATOM 1608 CG PRO A 198 35.027 12.648 -42.872 1.00 89.50 C +ATOM 1609 CD PRO A 198 34.030 13.376 -41.976 1.00 89.50 C +ATOM 1610 N ASN A 199 36.838 12.648 -39.765 1.00 88.50 N +ATOM 1611 CA ASN A 199 38.154 12.787 -39.136 1.00 88.50 C +ATOM 1612 C ASN A 199 38.134 12.601 -37.604 1.00 88.50 C +ATOM 1613 CB ASN A 199 38.745 14.155 -39.527 1.00 88.50 C +ATOM 1614 O ASN A 199 39.197 12.638 -36.986 1.00 88.50 O +ATOM 1615 CG ASN A 199 39.022 14.306 -41.013 1.00 88.50 C +ATOM 1616 ND2 ASN A 199 39.157 15.522 -41.488 1.00 88.50 N +ATOM 1617 OD1 ASN A 199 39.124 13.365 -41.775 1.00 88.50 O +ATOM 1618 N ILE A 200 36.960 12.442 -36.980 1.00 86.12 N +ATOM 1619 CA ILE A 200 36.841 12.149 -35.544 1.00 86.12 C +ATOM 1620 C ILE A 200 36.738 10.632 -35.372 1.00 86.12 C +ATOM 1621 CB ILE A 200 35.637 12.884 -34.907 1.00 86.12 C +ATOM 1622 O ILE A 200 35.762 10.024 -35.810 1.00 86.12 O +ATOM 1623 CG1 ILE A 200 35.723 14.411 -35.144 1.00 86.12 C +ATOM 1624 CG2 ILE A 200 35.597 12.566 -33.399 1.00 86.12 C +ATOM 1625 CD1 ILE A 200 34.567 15.222 -34.541 1.00 86.12 C +ATOM 1626 N SER A 201 37.716 10.011 -34.710 1.00 86.44 N +ATOM 1627 CA SER A 201 37.625 8.591 -34.366 1.00 86.44 C +ATOM 1628 C SER A 201 36.765 8.393 -33.117 1.00 86.44 C +ATOM 1629 CB SER A 201 39.001 7.924 -34.260 1.00 86.44 C +ATOM 1630 O SER A 201 37.016 8.966 -32.053 1.00 86.44 O +ATOM 1631 OG SER A 201 39.901 8.672 -33.475 1.00 86.44 O +ATOM 1632 N VAL A 202 35.731 7.563 -33.270 1.00 88.44 N +ATOM 1633 CA VAL A 202 34.776 7.207 -32.218 1.00 88.44 C +ATOM 1634 C VAL A 202 34.712 5.686 -32.099 1.00 88.44 C +ATOM 1635 CB VAL A 202 33.377 7.800 -32.487 1.00 88.44 C +ATOM 1636 O VAL A 202 34.447 4.996 -33.085 1.00 88.44 O +ATOM 1637 CG1 VAL A 202 32.469 7.566 -31.278 1.00 88.44 C +ATOM 1638 CG2 VAL A 202 33.417 9.312 -32.749 1.00 88.44 C +ATOM 1639 N ALA A 203 34.944 5.167 -30.897 1.00 89.94 N +ATOM 1640 CA ALA A 203 34.869 3.744 -30.575 1.00 89.94 C +ATOM 1641 C ALA A 203 33.728 3.471 -29.585 1.00 89.94 C +ATOM 1642 CB ALA A 203 36.230 3.286 -30.037 1.00 89.94 C +ATOM 1643 O ALA A 203 33.427 4.311 -28.740 1.00 89.94 O +ATOM 1644 N TYR A 204 33.111 2.289 -29.662 1.00 91.31 N +ATOM 1645 CA TYR A 204 32.024 1.880 -28.767 1.00 91.31 C +ATOM 1646 C TYR A 204 32.287 0.499 -28.169 1.00 91.31 C +ATOM 1647 CB TYR A 204 30.667 1.883 -29.485 1.00 91.31 C +ATOM 1648 O TYR A 204 32.817 -0.390 -28.835 1.00 91.31 O +ATOM 1649 CG TYR A 204 30.185 3.235 -29.967 1.00 91.31 C +ATOM 1650 CD1 TYR A 204 29.188 3.933 -29.255 1.00 91.31 C +ATOM 1651 CD2 TYR A 204 30.696 3.768 -31.165 1.00 91.31 C +ATOM 1652 CE1 TYR A 204 28.688 5.149 -29.761 1.00 91.31 C +ATOM 1653 CE2 TYR A 204 30.192 4.974 -31.679 1.00 91.31 C +ATOM 1654 OH TYR A 204 28.728 6.845 -31.463 1.00 91.31 O +ATOM 1655 CZ TYR A 204 29.187 5.667 -30.976 1.00 91.31 C +ATOM 1656 N ARG A 205 31.868 0.302 -26.918 1.00 89.31 N +ATOM 1657 CA ARG A 205 31.939 -0.974 -26.197 1.00 89.31 C +ATOM 1658 C ARG A 205 30.748 -1.113 -25.252 1.00 89.31 C +ATOM 1659 CB ARG A 205 33.287 -1.030 -25.455 1.00 89.31 C +ATOM 1660 O ARG A 205 30.381 -0.156 -24.574 1.00 89.31 O +ATOM 1661 CG ARG A 205 33.488 -2.329 -24.660 1.00 89.31 C +ATOM 1662 CD ARG A 205 34.877 -2.419 -24.020 1.00 89.31 C +ATOM 1663 NE ARG A 205 35.062 -1.375 -22.989 1.00 89.31 N +ATOM 1664 NH1 ARG A 205 37.349 -1.496 -22.822 1.00 89.31 N +ATOM 1665 NH2 ARG A 205 36.237 0.032 -21.641 1.00 89.31 N +ATOM 1666 CZ ARG A 205 36.210 -0.956 -22.490 1.00 89.31 C +ATOM 1667 N LEU A 206 30.179 -2.310 -25.150 1.00 88.88 N +ATOM 1668 CA LEU A 206 29.266 -2.657 -24.058 1.00 88.88 C +ATOM 1669 C LEU A 206 30.076 -3.124 -22.846 1.00 88.88 C +ATOM 1670 CB LEU A 206 28.274 -3.734 -24.530 1.00 88.88 C +ATOM 1671 O LEU A 206 31.038 -3.877 -23.000 1.00 88.88 O +ATOM 1672 CG LEU A 206 27.171 -3.180 -25.449 1.00 88.88 C +ATOM 1673 CD1 LEU A 206 26.422 -4.325 -26.120 1.00 88.88 C +ATOM 1674 CD2 LEU A 206 26.144 -2.348 -24.671 1.00 88.88 C +ATOM 1675 N LEU A 207 29.693 -2.703 -21.639 1.00 83.75 N +ATOM 1676 CA LEU A 207 30.187 -3.337 -20.416 1.00 83.75 C +ATOM 1677 C LEU A 207 29.510 -4.701 -20.257 1.00 83.75 C +ATOM 1678 CB LEU A 207 30.019 -2.424 -19.189 1.00 83.75 C +ATOM 1679 O LEU A 207 28.491 -4.845 -19.585 1.00 83.75 O +ATOM 1680 CG LEU A 207 30.856 -1.133 -19.219 1.00 83.75 C +ATOM 1681 CD1 LEU A 207 30.793 -0.447 -17.854 1.00 83.75 C +ATOM 1682 CD2 LEU A 207 32.339 -1.357 -19.543 1.00 83.75 C +ATOM 1683 N GLU A 208 30.082 -5.690 -20.935 1.00 66.25 N +ATOM 1684 CA GLU A 208 29.728 -7.095 -20.798 1.00 66.25 C +ATOM 1685 C GLU A 208 30.281 -7.615 -19.463 1.00 66.25 C +ATOM 1686 CB GLU A 208 30.247 -7.898 -22.013 1.00 66.25 C +ATOM 1687 O GLU A 208 31.492 -7.724 -19.281 1.00 66.25 O +ATOM 1688 CG GLU A 208 29.578 -7.450 -23.329 1.00 66.25 C +ATOM 1689 CD GLU A 208 30.032 -8.232 -24.577 1.00 66.25 C +ATOM 1690 OE1 GLU A 208 30.138 -7.603 -25.660 1.00 66.25 O +ATOM 1691 OE2 GLU A 208 30.201 -9.474 -24.494 1.00 66.25 O +ATOM 1692 N GLY A 209 29.395 -7.924 -18.513 1.00 63.03 N +ATOM 1693 CA GLY A 209 29.729 -8.848 -17.432 1.00 63.03 C +ATOM 1694 C GLY A 209 29.918 -10.260 -17.992 1.00 63.03 C +ATOM 1695 O GLY A 209 29.306 -10.614 -19.006 1.00 63.03 O +ATOM 1696 N GLU A 210 30.749 -11.073 -17.338 1.00 63.06 N +ATOM 1697 CA GLU A 210 30.916 -12.477 -17.723 1.00 63.06 C +ATOM 1698 C GLU A 210 29.556 -13.197 -17.744 1.00 63.06 C +ATOM 1699 CB GLU A 210 31.906 -13.202 -16.795 1.00 63.06 C +ATOM 1700 O GLU A 210 28.730 -13.029 -16.847 1.00 63.06 O +ATOM 1701 CG GLU A 210 33.338 -12.654 -16.927 1.00 63.06 C +ATOM 1702 CD GLU A 210 34.385 -13.507 -16.189 1.00 63.06 C +ATOM 1703 OE1 GLU A 210 35.572 -13.400 -16.570 1.00 63.06 O +ATOM 1704 OE2 GLU A 210 34.001 -14.244 -15.254 1.00 63.06 O +ATOM 1705 N GLY A 211 29.300 -13.971 -18.802 1.00 81.31 N +ATOM 1706 CA GLY A 211 28.056 -14.733 -18.963 1.00 81.31 C +ATOM 1707 C GLY A 211 26.833 -13.955 -19.473 1.00 81.31 C +ATOM 1708 O GLY A 211 25.764 -14.551 -19.587 1.00 81.31 O +ATOM 1709 N LEU A 212 26.936 -12.666 -19.825 1.00 89.56 N +ATOM 1710 CA LEU A 212 25.798 -11.951 -20.422 1.00 89.56 C +ATOM 1711 C LEU A 212 25.492 -12.414 -21.866 1.00 89.56 C +ATOM 1712 CB LEU A 212 26.006 -10.429 -20.351 1.00 89.56 C +ATOM 1713 O LEU A 212 26.409 -12.709 -22.640 1.00 89.56 O +ATOM 1714 CG LEU A 212 25.965 -9.843 -18.927 1.00 89.56 C +ATOM 1715 CD1 LEU A 212 26.094 -8.326 -19.032 1.00 89.56 C +ATOM 1716 CD2 LEU A 212 24.651 -10.125 -18.189 1.00 89.56 C +ATOM 1717 N PRO A 213 24.214 -12.411 -22.292 1.00 93.06 N +ATOM 1718 CA PRO A 213 23.827 -12.880 -23.621 1.00 93.06 C +ATOM 1719 C PRO A 213 24.122 -11.873 -24.744 1.00 93.06 C +ATOM 1720 CB PRO A 213 22.332 -13.187 -23.507 1.00 93.06 C +ATOM 1721 O PRO A 213 24.035 -12.237 -25.910 1.00 93.06 O +ATOM 1722 CG PRO A 213 21.846 -12.191 -22.461 1.00 93.06 C +ATOM 1723 CD PRO A 213 23.029 -12.104 -21.501 1.00 93.06 C +ATOM 1724 N PHE A 214 24.472 -10.621 -24.442 1.00 94.19 N +ATOM 1725 CA PHE A 214 24.642 -9.552 -25.438 1.00 94.19 C +ATOM 1726 C PHE A 214 26.105 -9.341 -25.824 1.00 94.19 C +ATOM 1727 CB PHE A 214 24.049 -8.247 -24.898 1.00 94.19 C +ATOM 1728 O PHE A 214 26.964 -9.310 -24.944 1.00 94.19 O +ATOM 1729 CG PHE A 214 22.634 -8.401 -24.392 1.00 94.19 C +ATOM 1730 CD1 PHE A 214 21.568 -8.489 -25.304 1.00 94.19 C +ATOM 1731 CD2 PHE A 214 22.389 -8.523 -23.013 1.00 94.19 C +ATOM 1732 CE1 PHE A 214 20.255 -8.671 -24.838 1.00 94.19 C +ATOM 1733 CE2 PHE A 214 21.077 -8.692 -22.549 1.00 94.19 C +ATOM 1734 CZ PHE A 214 20.008 -8.768 -23.457 1.00 94.19 C +ATOM 1735 N ARG A 215 26.375 -9.136 -27.118 1.00 91.88 N +ATOM 1736 CA ARG A 215 27.714 -8.849 -27.660 1.00 91.88 C +ATOM 1737 C ARG A 215 27.723 -7.631 -28.581 1.00 91.88 C +ATOM 1738 CB ARG A 215 28.288 -10.094 -28.358 1.00 91.88 C +ATOM 1739 O ARG A 215 26.780 -7.445 -29.352 1.00 91.88 O +ATOM 1740 CG ARG A 215 27.510 -10.512 -29.614 1.00 91.88 C +ATOM 1741 CD ARG A 215 28.099 -11.769 -30.256 1.00 91.88 C +ATOM 1742 NE ARG A 215 27.300 -12.147 -31.433 1.00 91.88 N +ATOM 1743 NH1 ARG A 215 28.513 -13.971 -32.127 1.00 91.88 N +ATOM 1744 NH2 ARG A 215 26.681 -13.346 -33.247 1.00 91.88 N +ATOM 1745 CZ ARG A 215 27.504 -13.153 -32.259 1.00 91.88 C +ATOM 1746 N CYS A 216 28.810 -6.862 -28.557 1.00 91.56 N +ATOM 1747 CA CYS A 216 29.121 -5.862 -29.588 1.00 91.56 C +ATOM 1748 C CYS A 216 30.083 -6.453 -30.637 1.00 91.56 C +ATOM 1749 CB CYS A 216 29.714 -4.618 -28.913 1.00 91.56 C +ATOM 1750 O CYS A 216 31.135 -6.983 -30.278 1.00 91.56 O +ATOM 1751 SG CYS A 216 29.818 -3.265 -30.123 1.00 91.56 S +ATOM 1752 N ALA A 217 29.748 -6.370 -31.925 1.00 89.88 N +ATOM 1753 CA ALA A 217 30.634 -6.793 -33.009 1.00 89.88 C +ATOM 1754 C ALA A 217 31.746 -5.746 -33.250 1.00 89.88 C +ATOM 1755 CB ALA A 217 29.789 -7.040 -34.263 1.00 89.88 C +ATOM 1756 O ALA A 217 31.425 -4.564 -33.409 1.00 89.88 O +ATOM 1757 N PRO A 218 33.036 -6.142 -33.310 1.00 82.06 N +ATOM 1758 CA PRO A 218 34.158 -5.197 -33.295 1.00 82.06 C +ATOM 1759 C PRO A 218 34.193 -4.263 -34.513 1.00 82.06 C +ATOM 1760 CB PRO A 218 35.423 -6.062 -33.189 1.00 82.06 C +ATOM 1761 O PRO A 218 34.454 -3.072 -34.356 1.00 82.06 O +ATOM 1762 CG PRO A 218 34.993 -7.421 -33.742 1.00 82.06 C +ATOM 1763 CD PRO A 218 33.531 -7.512 -33.309 1.00 82.06 C +ATOM 1764 N ASP A 219 33.880 -4.773 -35.709 1.00 82.44 N +ATOM 1765 CA ASP A 219 34.066 -4.030 -36.965 1.00 82.44 C +ATOM 1766 C ASP A 219 32.805 -3.279 -37.434 1.00 82.44 C +ATOM 1767 CB ASP A 219 34.551 -5.005 -38.047 1.00 82.44 C +ATOM 1768 O ASP A 219 32.891 -2.190 -38.015 1.00 82.44 O +ATOM 1769 CG ASP A 219 35.789 -5.789 -37.600 1.00 82.44 C +ATOM 1770 OD1 ASP A 219 36.789 -5.135 -37.236 1.00 82.44 O +ATOM 1771 OD2 ASP A 219 35.688 -7.035 -37.572 1.00 82.44 O +ATOM 1772 N SER A 220 31.609 -3.826 -37.180 1.00 86.38 N +ATOM 1773 CA SER A 220 30.328 -3.216 -37.584 1.00 86.38 C +ATOM 1774 C SER A 220 29.704 -2.317 -36.510 1.00 86.38 C +ATOM 1775 CB SER A 220 29.333 -4.291 -38.036 1.00 86.38 C +ATOM 1776 O SER A 220 28.898 -1.440 -36.840 1.00 86.38 O +ATOM 1777 OG SER A 220 29.058 -5.210 -37.001 1.00 86.38 O +ATOM 1778 N LEU A 221 30.102 -2.477 -35.240 1.00 91.25 N +ATOM 1779 CA LEU A 221 29.468 -1.846 -34.073 1.00 91.25 C +ATOM 1780 C LEU A 221 27.965 -2.170 -33.960 1.00 91.25 C +ATOM 1781 CB LEU A 221 29.791 -0.341 -34.010 1.00 91.25 C +ATOM 1782 O LEU A 221 27.162 -1.354 -33.501 1.00 91.25 O +ATOM 1783 CG LEU A 221 31.285 0.018 -34.088 1.00 91.25 C +ATOM 1784 CD1 LEU A 221 31.407 1.540 -34.136 1.00 91.25 C +ATOM 1785 CD2 LEU A 221 32.068 -0.504 -32.885 1.00 91.25 C +ATOM 1786 N GLU A 222 27.594 -3.366 -34.416 1.00 93.56 N +ATOM 1787 CA GLU A 222 26.280 -3.976 -34.232 1.00 93.56 C +ATOM 1788 C GLU A 222 26.185 -4.688 -32.880 1.00 93.56 C +ATOM 1789 CB GLU A 222 26.023 -4.993 -35.345 1.00 93.56 C +ATOM 1790 O GLU A 222 27.135 -5.335 -32.430 1.00 93.56 O +ATOM 1791 CG GLU A 222 25.633 -4.334 -36.671 1.00 93.56 C +ATOM 1792 CD GLU A 222 25.573 -5.380 -37.788 1.00 93.56 C +ATOM 1793 OE1 GLU A 222 26.108 -5.065 -38.873 1.00 93.56 O +ATOM 1794 OE2 GLU A 222 25.089 -6.507 -37.518 1.00 93.56 O +ATOM 1795 N VAL A 223 25.010 -4.624 -32.256 1.00 94.81 N +ATOM 1796 CA VAL A 223 24.689 -5.351 -31.026 1.00 94.81 C +ATOM 1797 C VAL A 223 23.753 -6.505 -31.348 1.00 94.81 C +ATOM 1798 CB VAL A 223 24.087 -4.448 -29.939 1.00 94.81 C +ATOM 1799 O VAL A 223 22.665 -6.306 -31.897 1.00 94.81 O +ATOM 1800 CG1 VAL A 223 23.998 -5.213 -28.613 1.00 94.81 C +ATOM 1801 CG2 VAL A 223 24.930 -3.190 -29.701 1.00 94.81 C +ATOM 1802 N SER A 224 24.171 -7.711 -30.967 1.00 94.06 N +ATOM 1803 CA SER A 224 23.402 -8.945 -31.141 1.00 94.06 C +ATOM 1804 C SER A 224 23.336 -9.758 -29.852 1.00 94.06 C +ATOM 1805 CB SER A 224 23.957 -9.787 -32.302 1.00 94.06 C +ATOM 1806 O SER A 224 24.160 -9.593 -28.947 1.00 94.06 O +ATOM 1807 OG SER A 224 25.343 -10.055 -32.146 1.00 94.06 O +ATOM 1808 N THR A 225 22.356 -10.652 -29.777 1.00 94.38 N +ATOM 1809 CA THR A 225 22.229 -11.637 -28.693 1.00 94.38 C +ATOM 1810 C THR A 225 22.906 -12.958 -29.100 1.00 94.38 C +ATOM 1811 CB THR A 225 20.756 -11.812 -28.280 1.00 94.38 C +ATOM 1812 O THR A 225 22.988 -13.283 -30.285 1.00 94.38 O +ATOM 1813 CG2 THR A 225 20.601 -12.376 -26.874 1.00 94.38 C +ATOM 1814 OG1 THR A 225 20.100 -10.563 -28.239 1.00 94.38 O +ATOM 1815 N ARG A 226 23.446 -13.709 -28.134 1.00 92.31 N +ATOM 1816 CA ARG A 226 24.171 -14.980 -28.327 1.00 92.31 C +ATOM 1817 C ARG A 226 23.242 -16.204 -28.340 1.00 92.31 C +ATOM 1818 CB ARG A 226 25.228 -15.134 -27.215 1.00 92.31 C +ATOM 1819 O ARG A 226 23.471 -17.114 -29.128 1.00 92.31 O +ATOM 1820 CG ARG A 226 26.436 -14.181 -27.276 1.00 92.31 C +ATOM 1821 CD ARG A 226 27.324 -14.398 -26.033 1.00 92.31 C +ATOM 1822 NE ARG A 226 28.593 -13.640 -26.091 1.00 92.31 N +ATOM 1823 NH1 ARG A 226 28.061 -11.864 -24.709 1.00 92.31 N +ATOM 1824 NH2 ARG A 226 29.980 -11.859 -25.757 1.00 92.31 N +ATOM 1825 CZ ARG A 226 28.863 -12.475 -25.516 1.00 92.31 C +ATOM 1826 N TRP A 227 22.218 -16.220 -27.486 1.00 93.81 N +ATOM 1827 CA TRP A 227 21.211 -17.284 -27.349 1.00 93.81 C +ATOM 1828 C TRP A 227 19.808 -16.674 -27.155 1.00 93.81 C +ATOM 1829 CB TRP A 227 21.621 -18.247 -26.215 1.00 93.81 C +ATOM 1830 O TRP A 227 19.694 -15.460 -26.977 1.00 93.81 O +ATOM 1831 CG TRP A 227 21.857 -17.662 -24.849 1.00 93.81 C +ATOM 1832 CD1 TRP A 227 20.938 -17.583 -23.862 1.00 93.81 C +ATOM 1833 CD2 TRP A 227 23.098 -17.175 -24.247 1.00 93.81 C +ATOM 1834 CE2 TRP A 227 22.823 -16.731 -22.917 1.00 93.81 C +ATOM 1835 CE3 TRP A 227 24.443 -17.115 -24.670 1.00 93.81 C +ATOM 1836 NE1 TRP A 227 21.485 -17.001 -22.739 1.00 93.81 N +ATOM 1837 CH2 TRP A 227 25.130 -16.096 -22.557 1.00 93.81 C +ATOM 1838 CZ2 TRP A 227 23.811 -16.184 -22.085 1.00 93.81 C +ATOM 1839 CZ3 TRP A 227 25.447 -16.576 -23.840 1.00 93.81 C +ATOM 1840 N ALA A 228 18.749 -17.486 -27.250 1.00 94.50 N +ATOM 1841 CA ALA A 228 17.377 -17.050 -26.962 1.00 94.50 C +ATOM 1842 C ALA A 228 17.228 -16.679 -25.474 1.00 94.50 C +ATOM 1843 CB ALA A 228 16.399 -18.158 -27.370 1.00 94.50 C +ATOM 1844 O ALA A 228 17.890 -17.275 -24.629 1.00 94.50 O +ATOM 1845 N LEU A 229 16.404 -15.680 -25.156 1.00 94.81 N +ATOM 1846 CA LEU A 229 16.149 -15.256 -23.770 1.00 94.81 C +ATOM 1847 C LEU A 229 14.863 -15.896 -23.236 1.00 94.81 C +ATOM 1848 CB LEU A 229 16.129 -13.719 -23.678 1.00 94.81 C +ATOM 1849 O LEU A 229 14.109 -16.457 -24.017 1.00 94.81 O +ATOM 1850 CG LEU A 229 17.403 -13.035 -24.206 1.00 94.81 C +ATOM 1851 CD1 LEU A 229 17.321 -11.522 -23.992 1.00 94.81 C +ATOM 1852 CD2 LEU A 229 18.680 -13.525 -23.523 1.00 94.81 C +ATOM 1853 N ASP A 230 14.647 -15.786 -21.932 1.00 93.81 N +ATOM 1854 CA ASP A 230 13.585 -16.414 -21.135 1.00 93.81 C +ATOM 1855 C ASP A 230 13.298 -15.439 -19.968 1.00 93.81 C +ATOM 1856 CB ASP A 230 14.124 -17.812 -20.756 1.00 93.81 C +ATOM 1857 O ASP A 230 14.249 -14.953 -19.325 1.00 93.81 O +ATOM 1858 CG ASP A 230 13.450 -18.550 -19.603 1.00 93.81 C +ATOM 1859 OD1 ASP A 230 13.110 -17.858 -18.627 1.00 93.81 O +ATOM 1860 OD2 ASP A 230 13.615 -19.791 -19.543 1.00 93.81 O +ATOM 1861 N ARG A 231 12.036 -15.025 -19.772 1.00 94.44 N +ATOM 1862 CA ARG A 231 11.656 -14.028 -18.754 1.00 94.44 C +ATOM 1863 C ARG A 231 11.613 -14.640 -17.359 1.00 94.44 C +ATOM 1864 CB ARG A 231 10.279 -13.456 -19.115 1.00 94.44 C +ATOM 1865 O ARG A 231 11.968 -13.939 -16.405 1.00 94.44 O +ATOM 1866 CG ARG A 231 9.777 -12.384 -18.148 1.00 94.44 C +ATOM 1867 CD ARG A 231 8.307 -12.049 -18.378 1.00 94.44 C +ATOM 1868 NE ARG A 231 7.383 -13.158 -18.108 1.00 94.44 N +ATOM 1869 NH1 ARG A 231 7.663 -13.660 -15.887 1.00 94.44 N +ATOM 1870 NH2 ARG A 231 5.891 -14.412 -16.970 1.00 94.44 N +ATOM 1871 CZ ARG A 231 6.974 -13.709 -16.982 1.00 94.44 C +ATOM 1872 N GLU A 232 11.236 -15.905 -17.256 1.00 92.31 N +ATOM 1873 CA GLU A 232 11.043 -16.725 -16.049 1.00 92.31 C +ATOM 1874 C GLU A 232 12.373 -16.862 -15.319 1.00 92.31 C +ATOM 1875 CB GLU A 232 10.501 -18.136 -16.419 1.00 92.31 C +ATOM 1876 O GLU A 232 12.431 -16.861 -14.090 1.00 92.31 O +ATOM 1877 CG GLU A 232 9.044 -18.210 -16.916 1.00 92.31 C +ATOM 1878 CD GLU A 232 8.749 -17.034 -17.840 1.00 92.31 C +ATOM 1879 OE1 GLU A 232 8.334 -16.016 -17.225 1.00 92.31 O +ATOM 1880 OE2 GLU A 232 9.377 -16.950 -18.917 1.00 92.31 O +ATOM 1881 N GLN A 233 13.466 -16.874 -16.079 1.00 92.25 N +ATOM 1882 CA GLN A 233 14.827 -16.733 -15.596 1.00 92.25 C +ATOM 1883 C GLN A 233 15.190 -15.279 -15.268 1.00 92.25 C +ATOM 1884 CB GLN A 233 15.794 -17.295 -16.644 1.00 92.25 C +ATOM 1885 O GLN A 233 15.805 -15.043 -14.221 1.00 92.25 O +ATOM 1886 CG GLN A 233 15.672 -18.817 -16.797 1.00 92.25 C +ATOM 1887 CD GLN A 233 16.624 -19.349 -17.860 1.00 92.25 C +ATOM 1888 NE2 GLN A 233 16.174 -20.188 -18.757 1.00 92.25 N +ATOM 1889 OE1 GLN A 233 17.811 -19.036 -17.874 1.00 92.25 O +ATOM 1890 N ARG A 234 14.903 -14.311 -16.163 1.00 92.62 N +ATOM 1891 CA ARG A 234 15.233 -12.884 -15.951 1.00 92.62 C +ATOM 1892 C ARG A 234 14.514 -11.893 -16.888 1.00 92.62 C +ATOM 1893 CB ARG A 234 16.758 -12.727 -16.089 1.00 92.62 C +ATOM 1894 O ARG A 234 14.961 -11.621 -18.001 1.00 92.62 O +ATOM 1895 CG ARG A 234 17.221 -11.325 -15.691 1.00 92.62 C +ATOM 1896 CD ARG A 234 18.743 -11.314 -15.596 1.00 92.62 C +ATOM 1897 NE ARG A 234 19.230 -9.956 -15.312 1.00 92.62 N +ATOM 1898 NH1 ARG A 234 21.345 -10.520 -14.631 1.00 92.62 N +ATOM 1899 NH2 ARG A 234 20.660 -8.391 -14.531 1.00 92.62 N +ATOM 1900 CZ ARG A 234 20.409 -9.632 -14.830 1.00 92.62 C +ATOM 1901 N GLU A 235 13.538 -11.158 -16.354 1.00 92.31 N +ATOM 1902 CA GLU A 235 12.774 -10.137 -17.103 1.00 92.31 C +ATOM 1903 C GLU A 235 13.567 -8.908 -17.624 1.00 92.31 C +ATOM 1904 CB GLU A 235 11.578 -9.657 -16.248 1.00 92.31 C +ATOM 1905 O GLU A 235 13.149 -8.265 -18.595 1.00 92.31 O +ATOM 1906 CG GLU A 235 11.948 -9.148 -14.839 1.00 92.31 C +ATOM 1907 CD GLU A 235 10.922 -8.151 -14.276 1.00 92.31 C +ATOM 1908 OE1 GLU A 235 11.359 -7.072 -13.810 1.00 92.31 O +ATOM 1909 OE2 GLU A 235 9.693 -8.347 -14.411 1.00 92.31 O +ATOM 1910 N LYS A 236 14.681 -8.520 -16.980 1.00 92.25 N +ATOM 1911 CA LYS A 236 15.375 -7.237 -17.235 1.00 92.25 C +ATOM 1912 C LYS A 236 16.902 -7.340 -17.241 1.00 92.25 C +ATOM 1913 CB LYS A 236 14.937 -6.175 -16.207 1.00 92.25 C +ATOM 1914 O LYS A 236 17.522 -7.865 -16.309 1.00 92.25 O +ATOM 1915 CG LYS A 236 13.489 -5.698 -16.403 1.00 92.25 C +ATOM 1916 CD LYS A 236 13.091 -4.685 -15.321 1.00 92.25 C +ATOM 1917 CE LYS A 236 11.617 -4.285 -15.495 1.00 92.25 C +ATOM 1918 NZ LYS A 236 10.832 -4.532 -14.261 1.00 92.25 N +ATOM 1919 N TYR A 237 17.515 -6.701 -18.238 1.00 91.88 N +ATOM 1920 CA TYR A 237 18.961 -6.505 -18.337 1.00 91.88 C +ATOM 1921 C TYR A 237 19.289 -5.012 -18.463 1.00 91.88 C +ATOM 1922 CB TYR A 237 19.524 -7.304 -19.517 1.00 91.88 C +ATOM 1923 O TYR A 237 18.979 -4.372 -19.468 1.00 91.88 O +ATOM 1924 CG TYR A 237 19.340 -8.809 -19.427 1.00 91.88 C +ATOM 1925 CD1 TYR A 237 20.388 -9.624 -18.949 1.00 91.88 C +ATOM 1926 CD2 TYR A 237 18.143 -9.399 -19.881 1.00 91.88 C +ATOM 1927 CE1 TYR A 237 20.248 -11.027 -18.948 1.00 91.88 C +ATOM 1928 CE2 TYR A 237 17.995 -10.797 -19.857 1.00 91.88 C +ATOM 1929 OH TYR A 237 18.894 -12.963 -19.424 1.00 91.88 O +ATOM 1930 CZ TYR A 237 19.048 -11.615 -19.406 1.00 91.88 C +ATOM 1931 N GLU A 238 19.937 -4.456 -17.441 1.00 87.00 N +ATOM 1932 CA GLU A 238 20.421 -3.073 -17.427 1.00 87.00 C +ATOM 1933 C GLU A 238 21.920 -3.064 -17.744 1.00 87.00 C +ATOM 1934 CB GLU A 238 20.102 -2.401 -16.078 1.00 87.00 C +ATOM 1935 O GLU A 238 22.750 -3.367 -16.888 1.00 87.00 O +ATOM 1936 CG GLU A 238 18.587 -2.310 -15.817 1.00 87.00 C +ATOM 1937 CD GLU A 238 18.213 -1.440 -14.602 1.00 87.00 C +ATOM 1938 OE1 GLU A 238 17.004 -1.134 -14.478 1.00 87.00 O +ATOM 1939 OE2 GLU A 238 19.118 -1.048 -13.833 1.00 87.00 O +ATOM 1940 N LEU A 239 22.272 -2.769 -18.999 1.00 90.75 N +ATOM 1941 CA LEU A 239 23.665 -2.690 -19.449 1.00 90.75 C +ATOM 1942 C LEU A 239 24.160 -1.237 -19.458 1.00 90.75 C +ATOM 1943 CB LEU A 239 23.816 -3.336 -20.841 1.00 90.75 C +ATOM 1944 O LEU A 239 23.383 -0.289 -19.320 1.00 90.75 O +ATOM 1945 CG LEU A 239 23.169 -4.713 -21.038 1.00 90.75 C +ATOM 1946 CD1 LEU A 239 23.486 -5.193 -22.454 1.00 90.75 C +ATOM 1947 CD2 LEU A 239 23.689 -5.745 -20.043 1.00 90.75 C +ATOM 1948 N VAL A 240 25.458 -1.050 -19.701 1.00 91.50 N +ATOM 1949 CA VAL A 240 26.058 0.268 -19.950 1.00 91.50 C +ATOM 1950 C VAL A 240 26.810 0.240 -21.276 1.00 91.50 C +ATOM 1951 CB VAL A 240 26.968 0.703 -18.786 1.00 91.50 C +ATOM 1952 O VAL A 240 27.736 -0.552 -21.459 1.00 91.50 O +ATOM 1953 CG1 VAL A 240 27.573 2.091 -19.036 1.00 91.50 C +ATOM 1954 CG2 VAL A 240 26.198 0.766 -17.460 1.00 91.50 C +ATOM 1955 N ALA A 241 26.422 1.123 -22.193 1.00 92.69 N +ATOM 1956 CA ALA A 241 27.169 1.403 -23.411 1.00 92.69 C +ATOM 1957 C ALA A 241 28.196 2.508 -23.138 1.00 92.69 C +ATOM 1958 CB ALA A 241 26.190 1.766 -24.533 1.00 92.69 C +ATOM 1959 O ALA A 241 27.881 3.531 -22.526 1.00 92.69 O +ATOM 1960 N VAL A 242 29.427 2.294 -23.590 1.00 92.88 N +ATOM 1961 CA VAL A 242 30.558 3.210 -23.440 1.00 92.88 C +ATOM 1962 C VAL A 242 30.993 3.652 -24.826 1.00 92.88 C +ATOM 1963 CB VAL A 242 31.723 2.545 -22.683 1.00 92.88 C +ATOM 1964 O VAL A 242 31.242 2.813 -25.689 1.00 92.88 O +ATOM 1965 CG1 VAL A 242 32.852 3.546 -22.417 1.00 92.88 C +ATOM 1966 CG2 VAL A 242 31.263 1.990 -21.329 1.00 92.88 C +ATOM 1967 N CYS A 243 31.084 4.959 -25.026 1.00 93.50 N +ATOM 1968 CA CYS A 243 31.613 5.586 -26.227 1.00 93.50 C +ATOM 1969 C CYS A 243 32.894 6.346 -25.874 1.00 93.50 C +ATOM 1970 CB CYS A 243 30.539 6.509 -26.794 1.00 93.50 C +ATOM 1971 O CYS A 243 32.925 7.060 -24.871 1.00 93.50 O +ATOM 1972 SG CYS A 243 31.056 7.519 -28.197 1.00 93.50 S +ATOM 1973 N THR A 244 33.926 6.205 -26.696 1.00 92.12 N +ATOM 1974 CA THR A 244 35.208 6.902 -26.570 1.00 92.12 C +ATOM 1975 C THR A 244 35.413 7.766 -27.806 1.00 92.12 C +ATOM 1976 CB THR A 244 36.362 5.902 -26.417 1.00 92.12 C +ATOM 1977 O THR A 244 35.392 7.250 -28.924 1.00 92.12 O +ATOM 1978 CG2 THR A 244 37.711 6.595 -26.298 1.00 92.12 C +ATOM 1979 OG1 THR A 244 36.231 5.152 -25.231 1.00 92.12 O +ATOM 1980 N VAL A 245 35.621 9.069 -27.615 1.00 90.31 N +ATOM 1981 CA VAL A 245 35.879 10.039 -28.690 1.00 90.31 C +ATOM 1982 C VAL A 245 37.310 10.545 -28.573 1.00 90.31 C +ATOM 1983 CB VAL A 245 34.889 11.219 -28.634 1.00 90.31 C +ATOM 1984 O VAL A 245 37.691 11.073 -27.527 1.00 90.31 O +ATOM 1985 CG1 VAL A 245 35.109 12.206 -29.787 1.00 90.31 C +ATOM 1986 CG2 VAL A 245 33.438 10.737 -28.715 1.00 90.31 C +ATOM 1987 N HIS A 246 38.085 10.442 -29.653 1.00 84.69 N +ATOM 1988 CA HIS A 246 39.426 11.021 -29.722 1.00 84.69 C +ATOM 1989 C HIS A 246 39.400 12.315 -30.547 1.00 84.69 C +ATOM 1990 CB HIS A 246 40.432 10.002 -30.266 1.00 84.69 C +ATOM 1991 O HIS A 246 39.166 12.307 -31.757 1.00 84.69 O +ATOM 1992 CG HIS A 246 40.414 8.665 -29.563 1.00 84.69 C +ATOM 1993 CD2 HIS A 246 39.738 7.548 -29.975 1.00 84.69 C +ATOM 1994 ND1 HIS A 246 41.066 8.331 -28.395 1.00 84.69 N +ATOM 1995 CE1 HIS A 246 40.792 7.045 -28.115 1.00 84.69 C +ATOM 1996 NE2 HIS A 246 39.992 6.521 -29.060 1.00 84.69 N +ATOM 1997 N ALA A 247 39.666 13.442 -29.887 1.00 70.38 N +ATOM 1998 CA ALA A 247 39.752 14.765 -30.498 1.00 70.38 C +ATOM 1999 C ALA A 247 41.195 15.285 -30.385 1.00 70.38 C +ATOM 2000 CB ALA A 247 38.697 15.675 -29.855 1.00 70.38 C +ATOM 2001 O ALA A 247 41.562 16.010 -29.455 1.00 70.38 O +ATOM 2002 N GLY A 248 42.046 14.866 -31.325 1.00 70.00 N +ATOM 2003 CA GLY A 248 43.481 15.150 -31.289 1.00 70.00 C +ATOM 2004 C GLY A 248 44.160 14.446 -30.111 1.00 70.00 C +ATOM 2005 O GLY A 248 44.202 13.223 -30.065 1.00 70.00 O +ATOM 2006 N ALA A 249 44.690 15.217 -29.158 1.00 65.94 N +ATOM 2007 CA ALA A 249 45.394 14.697 -27.979 1.00 65.94 C +ATOM 2008 C ALA A 249 44.495 14.477 -26.742 1.00 65.94 C +ATOM 2009 CB ALA A 249 46.576 15.628 -27.679 1.00 65.94 C +ATOM 2010 O ALA A 249 45.008 14.161 -25.669 1.00 65.94 O +ATOM 2011 N ARG A 250 43.174 14.687 -26.851 1.00 70.69 N +ATOM 2012 CA ARG A 250 42.214 14.448 -25.761 1.00 70.69 C +ATOM 2013 C ARG A 250 41.296 13.278 -26.099 1.00 70.69 C +ATOM 2014 CB ARG A 250 41.409 15.716 -25.439 1.00 70.69 C +ATOM 2015 O ARG A 250 40.733 13.222 -27.190 1.00 70.69 O +ATOM 2016 CG ARG A 250 42.283 16.799 -24.788 1.00 70.69 C +ATOM 2017 CD ARG A 250 41.430 18.011 -24.396 1.00 70.69 C +ATOM 2018 NE ARG A 250 42.242 19.054 -23.733 1.00 70.69 N +ATOM 2019 NH1 ARG A 250 40.555 20.579 -23.420 1.00 70.69 N +ATOM 2020 NH2 ARG A 250 42.619 21.061 -22.723 1.00 70.69 N +ATOM 2021 CZ ARG A 250 41.803 20.222 -23.298 1.00 70.69 C +ATOM 2022 N GLU A 251 41.139 12.386 -25.131 1.00 81.75 N +ATOM 2023 CA GLU A 251 40.183 11.282 -25.131 1.00 81.75 C +ATOM 2024 C GLU A 251 39.062 11.613 -24.137 1.00 81.75 C +ATOM 2025 CB GLU A 251 40.937 9.992 -24.767 1.00 81.75 C +ATOM 2026 O GLU A 251 39.343 11.976 -22.993 1.00 81.75 O +ATOM 2027 CG GLU A 251 40.049 8.741 -24.802 1.00 81.75 C +ATOM 2028 CD GLU A 251 40.811 7.442 -24.480 1.00 81.75 C +ATOM 2029 OE1 GLU A 251 40.130 6.420 -24.236 1.00 81.75 O +ATOM 2030 OE2 GLU A 251 42.062 7.461 -24.516 1.00 81.75 O +ATOM 2031 N GLU A 252 37.804 11.515 -24.567 1.00 87.75 N +ATOM 2032 CA GLU A 252 36.632 11.681 -23.698 1.00 87.75 C +ATOM 2033 C GLU A 252 35.766 10.418 -23.741 1.00 87.75 C +ATOM 2034 CB GLU A 252 35.850 12.960 -24.062 1.00 87.75 C +ATOM 2035 O GLU A 252 35.500 9.871 -24.814 1.00 87.75 O +ATOM 2036 CG GLU A 252 34.812 13.322 -22.981 1.00 87.75 C +ATOM 2037 CD GLU A 252 34.084 14.654 -23.244 1.00 87.75 C +ATOM 2038 OE1 GLU A 252 32.841 14.690 -23.071 1.00 87.75 O +ATOM 2039 OE2 GLU A 252 34.758 15.643 -23.611 1.00 87.75 O +ATOM 2040 N VAL A 253 35.332 9.952 -22.566 1.00 91.38 N +ATOM 2041 CA VAL A 253 34.574 8.706 -22.394 1.00 91.38 C +ATOM 2042 C VAL A 253 33.165 9.018 -21.891 1.00 91.38 C +ATOM 2043 CB VAL A 253 35.308 7.724 -21.459 1.00 91.38 C +ATOM 2044 O VAL A 253 32.985 9.596 -20.820 1.00 91.38 O +ATOM 2045 CG1 VAL A 253 34.535 6.406 -21.322 1.00 91.38 C +ATOM 2046 CG2 VAL A 253 36.708 7.381 -21.989 1.00 91.38 C +ATOM 2047 N VAL A 254 32.156 8.598 -22.653 1.00 91.19 N +ATOM 2048 CA VAL A 254 30.732 8.836 -22.386 1.00 91.19 C +ATOM 2049 C VAL A 254 30.040 7.506 -22.092 1.00 91.19 C +ATOM 2050 CB VAL A 254 30.068 9.563 -23.574 1.00 91.19 C +ATOM 2051 O VAL A 254 30.045 6.600 -22.922 1.00 91.19 O +ATOM 2052 CG1 VAL A 254 28.597 9.892 -23.277 1.00 91.19 C +ATOM 2053 CG2 VAL A 254 30.779 10.880 -23.915 1.00 91.19 C +ATOM 2054 N MET A 255 29.410 7.391 -20.920 1.00 91.50 N +ATOM 2055 CA MET A 255 28.691 6.186 -20.485 1.00 91.50 C +ATOM 2056 C MET A 255 27.176 6.427 -20.492 1.00 91.50 C +ATOM 2057 CB MET A 255 29.176 5.742 -19.094 1.00 91.50 C +ATOM 2058 O MET A 255 26.703 7.431 -19.954 1.00 91.50 O +ATOM 2059 CG MET A 255 30.698 5.567 -19.013 1.00 91.50 C +ATOM 2060 SD MET A 255 31.288 4.981 -17.402 1.00 91.50 S +ATOM 2061 CE MET A 255 31.382 3.201 -17.710 1.00 91.50 C +ATOM 2062 N VAL A 256 26.399 5.512 -21.080 1.00 90.19 N +ATOM 2063 CA VAL A 256 24.934 5.621 -21.199 1.00 90.19 C +ATOM 2064 C VAL A 256 24.253 4.295 -20.818 1.00 90.19 C +ATOM 2065 CB VAL A 256 24.525 6.080 -22.617 1.00 90.19 C +ATOM 2066 O VAL A 256 24.662 3.245 -21.315 1.00 90.19 O +ATOM 2067 CG1 VAL A 256 23.002 6.175 -22.786 1.00 90.19 C +ATOM 2068 CG2 VAL A 256 25.077 7.484 -22.904 1.00 90.19 C +ATOM 2069 N PRO A 257 23.202 4.312 -19.969 1.00 91.50 N +ATOM 2070 CA PRO A 257 22.404 3.122 -19.671 1.00 91.50 C +ATOM 2071 C PRO A 257 21.726 2.547 -20.918 1.00 91.50 C +ATOM 2072 CB PRO A 257 21.362 3.550 -18.631 1.00 91.50 C +ATOM 2073 O PRO A 257 21.158 3.289 -21.723 1.00 91.50 O +ATOM 2074 CG PRO A 257 22.005 4.766 -17.972 1.00 91.50 C +ATOM 2075 CD PRO A 257 22.765 5.414 -19.126 1.00 91.50 C +ATOM 2076 N PHE A 258 21.744 1.223 -21.034 1.00 91.38 N +ATOM 2077 CA PHE A 258 21.272 0.462 -22.187 1.00 91.38 C +ATOM 2078 C PHE A 258 20.314 -0.648 -21.704 1.00 91.38 C +ATOM 2079 CB PHE A 258 22.523 -0.033 -22.928 1.00 91.38 C +ATOM 2080 O PHE A 258 20.749 -1.768 -21.428 1.00 91.38 O +ATOM 2081 CG PHE A 258 22.283 -0.679 -24.277 1.00 91.38 C +ATOM 2082 CD1 PHE A 258 21.953 -2.043 -24.387 1.00 91.38 C +ATOM 2083 CD2 PHE A 258 22.452 0.091 -25.440 1.00 91.38 C +ATOM 2084 CE1 PHE A 258 21.813 -2.638 -25.653 1.00 91.38 C +ATOM 2085 CE2 PHE A 258 22.319 -0.503 -26.704 1.00 91.38 C +ATOM 2086 CZ PHE A 258 22.006 -1.870 -26.815 1.00 91.38 C +ATOM 2087 N PRO A 259 19.020 -0.328 -21.503 1.00 92.88 N +ATOM 2088 CA PRO A 259 18.038 -1.260 -20.955 1.00 92.88 C +ATOM 2089 C PRO A 259 17.429 -2.174 -22.030 1.00 92.88 C +ATOM 2090 CB PRO A 259 16.982 -0.376 -20.286 1.00 92.88 C +ATOM 2091 O PRO A 259 16.929 -1.710 -23.061 1.00 92.88 O +ATOM 2092 CG PRO A 259 16.986 0.885 -21.150 1.00 92.88 C +ATOM 2093 CD PRO A 259 18.444 1.008 -21.596 1.00 92.88 C +ATOM 2094 N VAL A 260 17.406 -3.475 -21.743 1.00 94.31 N +ATOM 2095 CA VAL A 260 16.728 -4.509 -22.536 1.00 94.31 C +ATOM 2096 C VAL A 260 15.664 -5.181 -21.667 1.00 94.31 C +ATOM 2097 CB VAL A 260 17.729 -5.544 -23.090 1.00 94.31 C +ATOM 2098 O VAL A 260 15.946 -5.588 -20.538 1.00 94.31 O +ATOM 2099 CG1 VAL A 260 17.024 -6.535 -24.022 1.00 94.31 C +ATOM 2100 CG2 VAL A 260 18.877 -4.892 -23.877 1.00 94.31 C +ATOM 2101 N THR A 261 14.438 -5.276 -22.185 1.00 94.69 N +ATOM 2102 CA THR A 261 13.305 -5.951 -21.528 1.00 94.69 C +ATOM 2103 C THR A 261 12.925 -7.201 -22.312 1.00 94.69 C +ATOM 2104 CB THR A 261 12.098 -5.008 -21.423 1.00 94.69 C +ATOM 2105 O THR A 261 12.709 -7.113 -23.527 1.00 94.69 O +ATOM 2106 CG2 THR A 261 10.930 -5.596 -20.635 1.00 94.69 C +ATOM 2107 OG1 THR A 261 12.489 -3.819 -20.772 1.00 94.69 O +ATOM 2108 N VAL A 262 12.837 -8.332 -21.611 1.00 94.56 N +ATOM 2109 CA VAL A 262 12.321 -9.595 -22.154 1.00 94.56 C +ATOM 2110 C VAL A 262 10.796 -9.595 -22.029 1.00 94.56 C +ATOM 2111 CB VAL A 262 12.958 -10.826 -21.476 1.00 94.56 C +ATOM 2112 O VAL A 262 10.253 -9.163 -21.008 1.00 94.56 O +ATOM 2113 CG1 VAL A 262 12.586 -12.110 -22.220 1.00 94.56 C +ATOM 2114 CG2 VAL A 262 14.492 -10.730 -21.478 1.00 94.56 C +ATOM 2115 N TYR A 263 10.114 -9.991 -23.100 1.00 91.62 N +ATOM 2116 CA TYR A 263 8.661 -10.077 -23.182 1.00 91.62 C +ATOM 2117 C TYR A 263 8.209 -11.529 -23.138 1.00 91.62 C +ATOM 2118 CB TYR A 263 8.118 -9.388 -24.443 1.00 91.62 C +ATOM 2119 O TYR A 263 8.686 -12.336 -23.931 1.00 91.62 O +ATOM 2120 CG TYR A 263 8.011 -7.883 -24.315 1.00 91.62 C +ATOM 2121 CD1 TYR A 263 6.754 -7.270 -24.136 1.00 91.62 C +ATOM 2122 CD2 TYR A 263 9.182 -7.106 -24.318 1.00 91.62 C +ATOM 2123 CE1 TYR A 263 6.668 -5.873 -23.968 1.00 91.62 C +ATOM 2124 CE2 TYR A 263 9.106 -5.719 -24.111 1.00 91.62 C +ATOM 2125 OH TYR A 263 7.799 -3.760 -23.721 1.00 91.62 O +ATOM 2126 CZ TYR A 263 7.848 -5.100 -23.943 1.00 91.62 C +ATOM 2127 N ASP A 264 7.245 -11.717 -22.248 1.00 90.44 N +ATOM 2128 CA ASP A 264 6.453 -12.901 -21.935 1.00 90.44 C +ATOM 2129 C ASP A 264 5.690 -13.447 -23.151 1.00 90.44 C +ATOM 2130 CB ASP A 264 5.446 -12.386 -20.886 1.00 90.44 C +ATOM 2131 O ASP A 264 5.107 -12.673 -23.932 1.00 90.44 O +ATOM 2132 CG ASP A 264 4.852 -13.404 -19.924 1.00 90.44 C +ATOM 2133 OD1 ASP A 264 5.547 -14.382 -19.639 1.00 90.44 O +ATOM 2134 OD2 ASP A 264 3.919 -12.990 -19.197 1.00 90.44 O +ATOM 2135 N GLU A 265 5.653 -14.764 -23.267 1.00 83.56 N +ATOM 2136 CA GLU A 265 4.689 -15.547 -24.029 1.00 83.56 C +ATOM 2137 C GLU A 265 3.827 -16.364 -23.040 1.00 83.56 C +ATOM 2138 CB GLU A 265 5.411 -16.303 -25.174 1.00 83.56 C +ATOM 2139 O GLU A 265 3.696 -15.964 -21.890 1.00 83.56 O +ATOM 2140 CG GLU A 265 6.148 -15.278 -26.076 1.00 83.56 C +ATOM 2141 CD GLU A 265 6.527 -15.734 -27.492 1.00 83.56 C +ATOM 2142 OE1 GLU A 265 6.724 -14.848 -28.371 1.00 83.56 O +ATOM 2143 OE2 GLU A 265 6.531 -16.937 -27.820 1.00 83.56 O +ATOM 2144 N ASP A 266 3.105 -17.383 -23.501 1.00 84.88 N +ATOM 2145 CA ASP A 266 2.211 -18.197 -22.657 1.00 84.88 C +ATOM 2146 C ASP A 266 2.735 -19.638 -22.741 1.00 84.88 C +ATOM 2147 CB ASP A 266 0.765 -17.978 -23.134 1.00 84.88 C +ATOM 2148 O ASP A 266 2.376 -20.404 -23.651 1.00 84.88 O +ATOM 2149 CG ASP A 266 -0.326 -18.443 -22.164 1.00 84.88 C +ATOM 2150 OD1 ASP A 266 -0.217 -19.561 -21.633 1.00 84.88 O +ATOM 2151 OD2 ASP A 266 -1.351 -17.721 -22.123 1.00 84.88 O +ATOM 2152 N ASP A 267 3.770 -19.913 -21.943 1.00 86.44 N +ATOM 2153 CA ASP A 267 4.620 -21.107 -22.024 1.00 86.44 C +ATOM 2154 C ASP A 267 4.641 -21.952 -20.738 1.00 86.44 C +ATOM 2155 CB ASP A 267 6.011 -20.753 -22.606 1.00 86.44 C +ATOM 2156 O ASP A 267 5.104 -23.104 -20.771 1.00 86.44 O +ATOM 2157 CG ASP A 267 7.171 -20.479 -21.629 1.00 86.44 C +ATOM 2158 OD1 ASP A 267 6.936 -20.309 -20.416 1.00 86.44 O +ATOM 2159 OD2 ASP A 267 8.320 -20.533 -22.139 1.00 86.44 O +ATOM 2160 N SER A 268 4.029 -21.449 -19.660 1.00 88.75 N +ATOM 2161 CA SER A 268 3.904 -22.113 -18.365 1.00 88.75 C +ATOM 2162 C SER A 268 2.486 -22.626 -18.120 1.00 88.75 C +ATOM 2163 CB SER A 268 4.343 -21.177 -17.244 1.00 88.75 C +ATOM 2164 O SER A 268 1.491 -22.026 -18.494 1.00 88.75 O +ATOM 2165 OG SER A 268 5.718 -20.881 -17.409 1.00 88.75 O +ATOM 2166 N ALA A 269 2.382 -23.820 -17.531 1.00 89.19 N +ATOM 2167 CA ALA A 269 1.087 -24.431 -17.245 1.00 89.19 C +ATOM 2168 C ALA A 269 0.655 -24.171 -15.789 1.00 89.19 C +ATOM 2169 CB ALA A 269 1.142 -25.929 -17.573 1.00 89.19 C +ATOM 2170 O ALA A 269 1.499 -24.266 -14.884 1.00 89.19 O +ATOM 2171 N PRO A 270 -0.656 -24.012 -15.521 1.00 91.25 N +ATOM 2172 CA PRO A 270 -1.164 -23.768 -14.177 1.00 91.25 C +ATOM 2173 C PRO A 270 -0.844 -24.931 -13.242 1.00 91.25 C +ATOM 2174 CB PRO A 270 -2.666 -23.500 -14.335 1.00 91.25 C +ATOM 2175 O PRO A 270 -1.206 -26.085 -13.485 1.00 91.25 O +ATOM 2176 CG PRO A 270 -3.018 -24.088 -15.700 1.00 91.25 C +ATOM 2177 CD PRO A 270 -1.732 -23.890 -16.492 1.00 91.25 C +ATOM 2178 N THR A 271 -0.176 -24.623 -12.131 1.00 91.44 N +ATOM 2179 CA THR A 271 0.379 -25.603 -11.191 1.00 91.44 C +ATOM 2180 C THR A 271 -0.140 -25.422 -9.768 1.00 91.44 C +ATOM 2181 CB THR A 271 1.918 -25.609 -11.200 1.00 91.44 C +ATOM 2182 O THR A 271 -0.457 -24.330 -9.299 1.00 91.44 O +ATOM 2183 CG2 THR A 271 2.484 -26.467 -12.326 1.00 91.44 C +ATOM 2184 OG1 THR A 271 2.464 -24.322 -11.321 1.00 91.44 O +ATOM 2185 N PHE A 272 -0.224 -26.529 -9.030 1.00 92.25 N +ATOM 2186 CA PHE A 272 -0.640 -26.498 -7.631 1.00 92.25 C +ATOM 2187 C PHE A 272 0.501 -26.065 -6.701 1.00 92.25 C +ATOM 2188 CB PHE A 272 -1.156 -27.871 -7.199 1.00 92.25 C +ATOM 2189 O PHE A 272 1.537 -26.739 -6.669 1.00 92.25 O +ATOM 2190 CG PHE A 272 -2.505 -28.228 -7.769 1.00 92.25 C +ATOM 2191 CD1 PHE A 272 -3.612 -27.419 -7.461 1.00 92.25 C +ATOM 2192 CD2 PHE A 272 -2.673 -29.385 -8.552 1.00 92.25 C +ATOM 2193 CE1 PHE A 272 -4.880 -27.764 -7.937 1.00 92.25 C +ATOM 2194 CE2 PHE A 272 -3.952 -29.733 -9.020 1.00 92.25 C +ATOM 2195 CZ PHE A 272 -5.055 -28.920 -8.714 1.00 92.25 C +ATOM 2196 N PRO A 273 0.310 -25.047 -5.840 1.00 85.69 N +ATOM 2197 CA PRO A 273 1.236 -24.789 -4.748 1.00 85.69 C +ATOM 2198 C PRO A 273 1.252 -26.004 -3.807 1.00 85.69 C +ATOM 2199 CB PRO A 273 0.740 -23.504 -4.079 1.00 85.69 C +ATOM 2200 O PRO A 273 0.233 -26.374 -3.225 1.00 85.69 O +ATOM 2201 CG PRO A 273 -0.759 -23.495 -4.373 1.00 85.69 C +ATOM 2202 CD PRO A 273 -0.868 -24.202 -5.722 1.00 85.69 C +ATOM 2203 N ALA A 274 2.417 -26.646 -3.694 1.00 85.62 N +ATOM 2204 CA ALA A 274 2.645 -27.856 -2.895 1.00 85.62 C +ATOM 2205 C ALA A 274 1.701 -29.049 -3.192 1.00 85.62 C +ATOM 2206 CB ALA A 274 2.717 -27.470 -1.408 1.00 85.62 C +ATOM 2207 O ALA A 274 1.537 -29.922 -2.343 1.00 85.62 O +ATOM 2208 N GLY A 275 1.103 -29.115 -4.390 1.00 85.88 N +ATOM 2209 CA GLY A 275 0.254 -30.243 -4.804 1.00 85.88 C +ATOM 2210 C GLY A 275 -1.151 -30.287 -4.185 1.00 85.88 C +ATOM 2211 O GLY A 275 -1.785 -31.336 -4.233 1.00 85.88 O +ATOM 2212 N VAL A 276 -1.640 -29.190 -3.593 1.00 90.94 N +ATOM 2213 CA VAL A 276 -2.972 -29.142 -2.960 1.00 90.94 C +ATOM 2214 C VAL A 276 -4.076 -28.911 -4.001 1.00 90.94 C +ATOM 2215 CB VAL A 276 -3.021 -28.090 -1.832 1.00 90.94 C +ATOM 2216 O VAL A 276 -4.350 -27.776 -4.388 1.00 90.94 O +ATOM 2217 CG1 VAL A 276 -4.368 -28.129 -1.095 1.00 90.94 C +ATOM 2218 CG2 VAL A 276 -1.920 -28.329 -0.786 1.00 90.94 C +ATOM 2219 N ASP A 277 -4.730 -29.994 -4.418 1.00 92.75 N +ATOM 2220 CA ASP A 277 -5.857 -30.019 -5.368 1.00 92.75 C +ATOM 2221 C ASP A 277 -7.247 -29.923 -4.706 1.00 92.75 C +ATOM 2222 CB ASP A 277 -5.744 -31.305 -6.210 1.00 92.75 C +ATOM 2223 O ASP A 277 -8.254 -29.630 -5.359 1.00 92.75 O +ATOM 2224 CG ASP A 277 -5.983 -32.611 -5.428 1.00 92.75 C +ATOM 2225 OD1 ASP A 277 -5.951 -32.590 -4.170 1.00 92.75 O +ATOM 2226 OD2 ASP A 277 -6.220 -33.641 -6.093 1.00 92.75 O +ATOM 2227 N THR A 278 -7.299 -30.177 -3.398 1.00 94.50 N +ATOM 2228 CA THR A 278 -8.507 -30.463 -2.625 1.00 94.50 C +ATOM 2229 C THR A 278 -8.663 -29.507 -1.443 1.00 94.50 C +ATOM 2230 CB THR A 278 -8.508 -31.918 -2.108 1.00 94.50 C +ATOM 2231 O THR A 278 -7.756 -29.338 -0.630 1.00 94.50 O +ATOM 2232 CG2 THR A 278 -9.109 -32.918 -3.089 1.00 94.50 C +ATOM 2233 OG1 THR A 278 -7.220 -32.388 -1.799 1.00 94.50 O +ATOM 2234 N ALA A 279 -9.853 -28.923 -1.279 1.00 95.19 N +ATOM 2235 CA ALA A 279 -10.229 -28.169 -0.080 1.00 95.19 C +ATOM 2236 C ALA A 279 -11.496 -28.753 0.553 1.00 95.19 C +ATOM 2237 CB ALA A 279 -10.372 -26.681 -0.409 1.00 95.19 C +ATOM 2238 O ALA A 279 -12.511 -28.943 -0.115 1.00 95.19 O +ATOM 2239 N SER A 280 -11.445 -29.030 1.857 1.00 94.69 N +ATOM 2240 CA SER A 280 -12.582 -29.568 2.612 1.00 94.69 C +ATOM 2241 C SER A 280 -13.193 -28.497 3.513 1.00 94.69 C +ATOM 2242 CB SER A 280 -12.177 -30.806 3.418 1.00 94.69 C +ATOM 2243 O SER A 280 -12.462 -27.773 4.185 1.00 94.69 O +ATOM 2244 OG SER A 280 -11.677 -31.815 2.554 1.00 94.69 O +ATOM 2245 N ALA A 281 -14.522 -28.401 3.533 1.00 94.81 N +ATOM 2246 CA ALA A 281 -15.254 -27.378 4.272 1.00 94.81 C +ATOM 2247 C ALA A 281 -16.588 -27.893 4.830 1.00 94.81 C +ATOM 2248 CB ALA A 281 -15.475 -26.185 3.344 1.00 94.81 C +ATOM 2249 O ALA A 281 -17.241 -28.767 4.251 1.00 94.81 O +ATOM 2250 N VAL A 282 -17.012 -27.311 5.953 1.00 96.62 N +ATOM 2251 CA VAL A 282 -18.255 -27.659 6.651 1.00 96.62 C +ATOM 2252 C VAL A 282 -19.151 -26.427 6.743 1.00 96.62 C +ATOM 2253 CB VAL A 282 -17.976 -28.267 8.041 1.00 96.62 C +ATOM 2254 O VAL A 282 -18.726 -25.374 7.213 1.00 96.62 O +ATOM 2255 CG1 VAL A 282 -19.276 -28.702 8.727 1.00 96.62 C +ATOM 2256 CG2 VAL A 282 -17.074 -29.506 7.940 1.00 96.62 C +ATOM 2257 N VAL A 283 -20.402 -26.563 6.305 1.00 96.06 N +ATOM 2258 CA VAL A 283 -21.435 -25.527 6.414 1.00 96.06 C +ATOM 2259 C VAL A 283 -22.419 -25.959 7.495 1.00 96.06 C +ATOM 2260 CB VAL A 283 -22.128 -25.260 5.065 1.00 96.06 C +ATOM 2261 O VAL A 283 -23.278 -26.811 7.272 1.00 96.06 O +ATOM 2262 CG1 VAL A 283 -23.111 -24.091 5.179 1.00 96.06 C +ATOM 2263 CG2 VAL A 283 -21.127 -24.920 3.950 1.00 96.06 C +ATOM 2264 N GLU A 284 -22.269 -25.382 8.686 1.00 94.69 N +ATOM 2265 CA GLU A 284 -23.063 -25.714 9.874 1.00 94.69 C +ATOM 2266 C GLU A 284 -23.919 -24.514 10.314 1.00 94.69 C +ATOM 2267 CB GLU A 284 -22.137 -26.280 10.956 1.00 94.69 C +ATOM 2268 O GLU A 284 -25.081 -24.425 9.912 1.00 94.69 O +ATOM 2269 CG GLU A 284 -22.920 -26.843 12.148 1.00 94.69 C +ATOM 2270 CD GLU A 284 -22.002 -27.544 13.159 1.00 94.69 C +ATOM 2271 OE1 GLU A 284 -22.536 -28.370 13.929 1.00 94.69 O +ATOM 2272 OE2 GLU A 284 -20.781 -27.266 13.129 1.00 94.69 O +ATOM 2273 N PHE A 285 -23.353 -23.559 11.060 1.00 93.12 N +ATOM 2274 CA PHE A 285 -24.095 -22.413 11.616 1.00 93.12 C +ATOM 2275 C PHE A 285 -24.144 -21.175 10.704 1.00 93.12 C +ATOM 2276 CB PHE A 285 -23.494 -22.049 12.978 1.00 93.12 C +ATOM 2277 O PHE A 285 -25.144 -20.452 10.683 1.00 93.12 O +ATOM 2278 CG PHE A 285 -23.407 -23.208 13.949 1.00 93.12 C +ATOM 2279 CD1 PHE A 285 -24.589 -23.833 14.388 1.00 93.12 C +ATOM 2280 CD2 PHE A 285 -22.157 -23.685 14.389 1.00 93.12 C +ATOM 2281 CE1 PHE A 285 -24.526 -24.925 15.270 1.00 93.12 C +ATOM 2282 CE2 PHE A 285 -22.096 -24.786 15.260 1.00 93.12 C +ATOM 2283 CZ PHE A 285 -23.277 -25.405 15.700 1.00 93.12 C +ATOM 2284 N LYS A 286 -23.090 -20.939 9.908 1.00 94.00 N +ATOM 2285 CA LYS A 286 -23.050 -19.854 8.916 1.00 94.00 C +ATOM 2286 C LYS A 286 -23.723 -20.311 7.624 1.00 94.00 C +ATOM 2287 CB LYS A 286 -21.617 -19.347 8.684 1.00 94.00 C +ATOM 2288 O LYS A 286 -23.091 -20.914 6.763 1.00 94.00 O +ATOM 2289 CG LYS A 286 -21.044 -18.674 9.939 1.00 94.00 C +ATOM 2290 CD LYS A 286 -19.709 -17.981 9.640 1.00 94.00 C +ATOM 2291 CE LYS A 286 -19.178 -17.342 10.930 1.00 94.00 C +ATOM 2292 NZ LYS A 286 -17.908 -16.605 10.704 1.00 94.00 N +ATOM 2293 N ARG A 287 -25.021 -20.029 7.517 1.00 94.69 N +ATOM 2294 CA ARG A 287 -25.892 -20.387 6.386 1.00 94.69 C +ATOM 2295 C ARG A 287 -26.266 -19.195 5.518 1.00 94.69 C +ATOM 2296 CB ARG A 287 -27.150 -21.094 6.913 1.00 94.69 C +ATOM 2297 O ARG A 287 -27.180 -19.317 4.712 1.00 94.69 O +ATOM 2298 CG ARG A 287 -26.771 -22.431 7.535 1.00 94.69 C +ATOM 2299 CD ARG A 287 -27.997 -23.300 7.809 1.00 94.69 C +ATOM 2300 NE ARG A 287 -27.504 -24.546 8.382 1.00 94.69 N +ATOM 2301 NH1 ARG A 287 -27.915 -26.100 6.712 1.00 94.69 N +ATOM 2302 NH2 ARG A 287 -26.073 -26.167 7.945 1.00 94.69 N +ATOM 2303 CZ ARG A 287 -27.192 -25.604 7.671 1.00 94.69 C +ATOM 2304 N LYS A 288 -25.605 -18.052 5.700 1.00 93.56 N +ATOM 2305 CA LYS A 288 -25.919 -16.808 5.000 1.00 93.56 C +ATOM 2306 C LYS A 288 -25.427 -16.843 3.549 1.00 93.56 C +ATOM 2307 CB LYS A 288 -25.347 -15.622 5.791 1.00 93.56 C +ATOM 2308 O LYS A 288 -24.333 -17.339 3.277 1.00 93.56 O +ATOM 2309 CG LYS A 288 -25.971 -14.288 5.361 1.00 93.56 C +ATOM 2310 CD LYS A 288 -25.302 -13.115 6.083 1.00 93.56 C +ATOM 2311 CE LYS A 288 -25.867 -11.805 5.528 1.00 93.56 C +ATOM 2312 NZ LYS A 288 -25.181 -10.626 6.109 1.00 93.56 N +ATOM 2313 N GLU A 289 -26.203 -16.259 2.648 1.00 93.81 N +ATOM 2314 CA GLU A 289 -25.760 -15.863 1.307 1.00 93.81 C +ATOM 2315 C GLU A 289 -24.425 -15.089 1.353 1.00 93.81 C +ATOM 2316 CB GLU A 289 -26.899 -15.046 0.682 1.00 93.81 C +ATOM 2317 O GLU A 289 -24.116 -14.420 2.343 1.00 93.81 O +ATOM 2318 CG GLU A 289 -26.742 -14.739 -0.814 1.00 93.81 C +ATOM 2319 CD GLU A 289 -28.039 -14.175 -1.430 1.00 93.81 C +ATOM 2320 OE1 GLU A 289 -28.018 -13.857 -2.636 1.00 93.81 O +ATOM 2321 OE2 GLU A 289 -29.072 -14.144 -0.712 1.00 93.81 O +ATOM 2322 N ASP A 290 -23.610 -15.250 0.310 1.00 93.19 N +ATOM 2323 CA ASP A 290 -22.256 -14.699 0.152 1.00 93.19 C +ATOM 2324 C ASP A 290 -21.207 -15.169 1.185 1.00 93.19 C +ATOM 2325 CB ASP A 290 -22.303 -13.174 -0.034 1.00 93.19 C +ATOM 2326 O ASP A 290 -20.085 -14.659 1.229 1.00 93.19 O +ATOM 2327 CG ASP A 290 -23.234 -12.739 -1.171 1.00 93.19 C +ATOM 2328 OD1 ASP A 290 -23.214 -13.400 -2.239 1.00 93.19 O +ATOM 2329 OD2 ASP A 290 -23.917 -11.712 -0.985 1.00 93.19 O +ATOM 2330 N THR A 291 -21.506 -16.190 1.999 1.00 94.50 N +ATOM 2331 CA THR A 291 -20.497 -16.797 2.887 1.00 94.50 C +ATOM 2332 C THR A 291 -19.466 -17.584 2.073 1.00 94.50 C +ATOM 2333 CB THR A 291 -21.116 -17.710 3.957 1.00 94.50 C +ATOM 2334 O THR A 291 -19.814 -18.535 1.371 1.00 94.50 O +ATOM 2335 CG2 THR A 291 -20.090 -18.213 4.972 1.00 94.50 C +ATOM 2336 OG1 THR A 291 -22.090 -17.026 4.710 1.00 94.50 O +ATOM 2337 N VAL A 292 -18.183 -17.236 2.213 1.00 96.00 N +ATOM 2338 CA VAL A 292 -17.055 -18.028 1.695 1.00 96.00 C +ATOM 2339 C VAL A 292 -16.971 -19.360 2.447 1.00 96.00 C +ATOM 2340 CB VAL A 292 -15.725 -17.259 1.819 1.00 96.00 C +ATOM 2341 O VAL A 292 -16.854 -19.384 3.671 1.00 96.00 O +ATOM 2342 CG1 VAL A 292 -14.523 -18.106 1.380 1.00 96.00 C +ATOM 2343 CG2 VAL A 292 -15.732 -15.982 0.968 1.00 96.00 C +ATOM 2344 N VAL A 293 -17.004 -20.461 1.699 1.00 95.19 N +ATOM 2345 CA VAL A 293 -16.995 -21.843 2.202 1.00 95.19 C +ATOM 2346 C VAL A 293 -15.588 -22.439 2.159 1.00 95.19 C +ATOM 2347 CB VAL A 293 -17.987 -22.698 1.382 1.00 95.19 C +ATOM 2348 O VAL A 293 -15.154 -23.060 3.123 1.00 95.19 O +ATOM 2349 CG1 VAL A 293 -18.027 -24.162 1.830 1.00 95.19 C +ATOM 2350 CG2 VAL A 293 -19.412 -22.142 1.478 1.00 95.19 C +ATOM 2351 N ALA A 294 -14.864 -22.246 1.054 1.00 95.62 N +ATOM 2352 CA ALA A 294 -13.529 -22.807 0.839 1.00 95.62 C +ATOM 2353 C ALA A 294 -12.675 -21.903 -0.064 1.00 95.62 C +ATOM 2354 CB ALA A 294 -13.683 -24.207 0.234 1.00 95.62 C +ATOM 2355 O ALA A 294 -13.194 -21.012 -0.739 1.00 95.62 O +ATOM 2356 N THR A 295 -11.359 -22.119 -0.092 1.00 94.81 N +ATOM 2357 CA THR A 295 -10.413 -21.409 -0.971 1.00 94.81 C +ATOM 2358 C THR A 295 -9.284 -22.350 -1.384 1.00 94.81 C +ATOM 2359 CB THR A 295 -9.827 -20.169 -0.272 1.00 94.81 C +ATOM 2360 O THR A 295 -8.710 -23.020 -0.530 1.00 94.81 O +ATOM 2361 CG2 THR A 295 -8.848 -19.375 -1.141 1.00 94.81 C +ATOM 2362 OG1 THR A 295 -10.872 -19.287 0.080 1.00 94.81 O +ATOM 2363 N LEU A 296 -8.961 -22.374 -2.676 1.00 94.88 N +ATOM 2364 CA LEU A 296 -7.786 -23.027 -3.257 1.00 94.88 C +ATOM 2365 C LEU A 296 -6.946 -22.003 -4.022 1.00 94.88 C +ATOM 2366 CB LEU A 296 -8.224 -24.188 -4.173 1.00 94.88 C +ATOM 2367 O LEU A 296 -7.446 -20.944 -4.400 1.00 94.88 O +ATOM 2368 CG LEU A 296 -8.627 -25.456 -3.404 1.00 94.88 C +ATOM 2369 CD1 LEU A 296 -9.230 -26.482 -4.358 1.00 94.88 C +ATOM 2370 CD2 LEU A 296 -7.424 -26.103 -2.712 1.00 94.88 C +ATOM 2371 N ARG A 297 -5.672 -22.326 -4.248 1.00 94.75 N +ATOM 2372 CA ARG A 297 -4.737 -21.508 -5.025 1.00 94.75 C +ATOM 2373 C ARG A 297 -4.141 -22.311 -6.163 1.00 94.75 C +ATOM 2374 CB ARG A 297 -3.627 -20.944 -4.131 1.00 94.75 C +ATOM 2375 O ARG A 297 -3.849 -23.489 -5.990 1.00 94.75 O +ATOM 2376 CG ARG A 297 -4.160 -19.764 -3.327 1.00 94.75 C +ATOM 2377 CD ARG A 297 -3.071 -19.153 -2.449 1.00 94.75 C +ATOM 2378 NE ARG A 297 -3.613 -17.950 -1.816 1.00 94.75 N +ATOM 2379 NH1 ARG A 297 -2.024 -17.588 -0.205 1.00 94.75 N +ATOM 2380 NH2 ARG A 297 -3.790 -16.209 -0.422 1.00 94.75 N +ATOM 2381 CZ ARG A 297 -3.134 -17.261 -0.812 1.00 94.75 C +ATOM 2382 N VAL A 298 -3.911 -21.641 -7.281 1.00 94.06 N +ATOM 2383 CA VAL A 298 -3.168 -22.143 -8.438 1.00 94.06 C +ATOM 2384 C VAL A 298 -2.083 -21.120 -8.749 1.00 94.06 C +ATOM 2385 CB VAL A 298 -4.111 -22.360 -9.631 1.00 94.06 C +ATOM 2386 O VAL A 298 -2.363 -19.924 -8.780 1.00 94.06 O +ATOM 2387 CG1 VAL A 298 -3.373 -22.893 -10.856 1.00 94.06 C +ATOM 2388 CG2 VAL A 298 -5.236 -23.346 -9.279 1.00 94.06 C +ATOM 2389 N PHE A 299 -0.848 -21.572 -8.898 1.00 93.06 N +ATOM 2390 CA PHE A 299 0.280 -20.755 -9.324 1.00 93.06 C +ATOM 2391 C PHE A 299 0.407 -20.837 -10.843 1.00 93.06 C +ATOM 2392 CB PHE A 299 1.548 -21.272 -8.627 1.00 93.06 C +ATOM 2393 O PHE A 299 0.272 -21.927 -11.397 1.00 93.06 O +ATOM 2394 CG PHE A 299 2.819 -20.572 -9.066 1.00 93.06 C +ATOM 2395 CD1 PHE A 299 3.609 -21.116 -10.096 1.00 93.06 C +ATOM 2396 CD2 PHE A 299 3.182 -19.342 -8.490 1.00 93.06 C +ATOM 2397 CE1 PHE A 299 4.751 -20.435 -10.548 1.00 93.06 C +ATOM 2398 CE2 PHE A 299 4.317 -18.654 -8.947 1.00 93.06 C +ATOM 2399 CZ PHE A 299 5.105 -19.201 -9.976 1.00 93.06 C +ATOM 2400 N ASP A 300 0.710 -19.718 -11.485 1.00 91.38 N +ATOM 2401 CA ASP A 300 1.220 -19.708 -12.847 1.00 91.38 C +ATOM 2402 C ASP A 300 2.430 -18.774 -12.953 1.00 91.38 C +ATOM 2403 CB ASP A 300 0.120 -19.364 -13.858 1.00 91.38 C +ATOM 2404 O ASP A 300 2.484 -17.738 -12.285 1.00 91.38 O +ATOM 2405 CG ASP A 300 0.391 -20.202 -15.097 1.00 91.38 C +ATOM 2406 OD1 ASP A 300 1.551 -20.111 -15.563 1.00 91.38 O +ATOM 2407 OD2 ASP A 300 -0.450 -21.083 -15.370 1.00 91.38 O +ATOM 2408 N ALA A 301 3.433 -19.149 -13.742 1.00 90.62 N +ATOM 2409 CA ALA A 301 4.594 -18.291 -13.965 1.00 90.62 C +ATOM 2410 C ALA A 301 4.298 -17.184 -14.991 1.00 90.62 C +ATOM 2411 CB ALA A 301 5.801 -19.154 -14.326 1.00 90.62 C +ATOM 2412 O ALA A 301 4.952 -16.132 -14.948 1.00 90.62 O +ATOM 2413 N ASP A 302 3.270 -17.372 -15.819 1.00 89.06 N +ATOM 2414 CA ASP A 302 2.881 -16.444 -16.875 1.00 89.06 C +ATOM 2415 C ASP A 302 2.150 -15.207 -16.318 1.00 89.06 C +ATOM 2416 CB ASP A 302 2.107 -17.197 -17.976 1.00 89.06 C +ATOM 2417 O ASP A 302 1.488 -15.225 -15.267 1.00 89.06 O +ATOM 2418 CG ASP A 302 2.985 -18.228 -18.711 1.00 89.06 C +ATOM 2419 OD1 ASP A 302 4.214 -18.232 -18.486 1.00 89.06 O +ATOM 2420 OD2 ASP A 302 2.458 -19.023 -19.511 1.00 89.06 O +ATOM 2421 N VAL A 303 2.333 -14.069 -16.999 1.00 85.00 N +ATOM 2422 CA VAL A 303 1.720 -12.765 -16.667 1.00 85.00 C +ATOM 2423 C VAL A 303 0.916 -12.201 -17.850 1.00 85.00 C +ATOM 2424 CB VAL A 303 2.796 -11.785 -16.153 1.00 85.00 C +ATOM 2425 O VAL A 303 0.053 -11.326 -17.689 1.00 85.00 O +ATOM 2426 CG1 VAL A 303 2.202 -10.430 -15.730 1.00 85.00 C +ATOM 2427 CG2 VAL A 303 3.519 -12.347 -14.921 1.00 85.00 C +ATOM 2428 N VAL A 304 1.148 -12.713 -19.054 1.00 69.25 N +ATOM 2429 CA VAL A 304 0.121 -12.844 -20.087 1.00 69.25 C +ATOM 2430 C VAL A 304 -0.867 -13.914 -19.596 1.00 69.25 C +ATOM 2431 CB VAL A 304 0.776 -13.234 -21.427 1.00 69.25 C +ATOM 2432 O VAL A 304 -0.418 -14.933 -19.099 1.00 69.25 O +ATOM 2433 CG1 VAL A 304 -0.244 -13.454 -22.554 1.00 69.25 C +ATOM 2434 CG2 VAL A 304 1.705 -12.105 -21.904 1.00 69.25 C +ATOM 2435 N PRO A 305 -2.195 -13.692 -19.659 1.00 61.88 N +ATOM 2436 CA PRO A 305 -2.905 -12.574 -20.272 1.00 61.88 C +ATOM 2437 C PRO A 305 -3.235 -11.408 -19.319 1.00 61.88 C +ATOM 2438 CB PRO A 305 -4.171 -13.191 -20.870 1.00 61.88 C +ATOM 2439 O PRO A 305 -3.776 -11.564 -18.231 1.00 61.88 O +ATOM 2440 CG PRO A 305 -4.363 -14.522 -20.136 1.00 61.88 C +ATOM 2441 CD PRO A 305 -3.120 -14.747 -19.299 1.00 61.88 C +ATOM 2442 N ALA A 306 -3.050 -10.180 -19.812 1.00 67.06 N +ATOM 2443 CA ALA A 306 -3.430 -8.940 -19.124 1.00 67.06 C +ATOM 2444 C ALA A 306 -4.963 -8.738 -18.957 1.00 67.06 C +ATOM 2445 CB ALA A 306 -2.819 -7.782 -19.928 1.00 67.06 C +ATOM 2446 O ALA A 306 -5.752 -9.293 -19.722 1.00 67.06 O +ATOM 2447 N SER A 307 -5.377 -7.833 -18.046 1.00 64.50 N +ATOM 2448 CA SER A 307 -6.764 -7.470 -17.624 1.00 64.50 C +ATOM 2449 C SER A 307 -7.879 -7.915 -18.548 1.00 64.50 C +ATOM 2450 CB SER A 307 -7.000 -5.938 -17.497 1.00 64.50 C +ATOM 2451 O SER A 307 -8.773 -8.660 -18.160 1.00 64.50 O +ATOM 2452 OG SER A 307 -7.006 -5.418 -16.192 1.00 64.50 O +ATOM 2453 N GLY A 308 -7.877 -7.323 -19.747 1.00 60.50 N +ATOM 2454 CA GLY A 308 -9.018 -7.355 -20.651 1.00 60.50 C +ATOM 2455 C GLY A 308 -9.216 -8.724 -21.284 1.00 60.50 C +ATOM 2456 O GLY A 308 -10.265 -8.973 -21.874 1.00 60.50 O +ATOM 2457 N GLU A 309 -8.212 -9.588 -21.167 1.00 73.50 N +ATOM 2458 CA GLU A 309 -8.190 -10.926 -21.729 1.00 73.50 C +ATOM 2459 C GLU A 309 -8.179 -11.986 -20.621 1.00 73.50 C +ATOM 2460 CB GLU A 309 -7.050 -11.029 -22.766 1.00 73.50 C +ATOM 2461 O GLU A 309 -8.790 -13.023 -20.836 1.00 73.50 O +ATOM 2462 CG GLU A 309 -7.302 -10.006 -23.900 1.00 73.50 C +ATOM 2463 CD GLU A 309 -6.333 -10.064 -25.090 1.00 73.50 C +ATOM 2464 OE1 GLU A 309 -5.939 -8.958 -25.546 1.00 73.50 O +ATOM 2465 OE2 GLU A 309 -6.094 -11.178 -25.612 1.00 73.50 O +ATOM 2466 N LEU A 310 -7.661 -11.722 -19.410 1.00 76.62 N +ATOM 2467 CA LEU A 310 -7.586 -12.724 -18.331 1.00 76.62 C +ATOM 2468 C LEU A 310 -8.912 -13.451 -18.046 1.00 76.62 C +ATOM 2469 CB LEU A 310 -6.992 -12.083 -17.064 1.00 76.62 C +ATOM 2470 O LEU A 310 -8.930 -14.674 -18.019 1.00 76.62 O +ATOM 2471 CG LEU A 310 -6.585 -13.141 -16.011 1.00 76.62 C +ATOM 2472 CD1 LEU A 310 -5.243 -12.786 -15.378 1.00 76.62 C +ATOM 2473 CD2 LEU A 310 -7.638 -13.258 -14.902 1.00 76.62 C +ATOM 2474 N VAL A 311 -10.039 -12.735 -17.940 1.00 73.19 N +ATOM 2475 CA VAL A 311 -11.380 -13.341 -17.732 1.00 73.19 C +ATOM 2476 C VAL A 311 -11.845 -14.195 -18.927 1.00 73.19 C +ATOM 2477 CB VAL A 311 -12.423 -12.240 -17.427 1.00 73.19 C +ATOM 2478 O VAL A 311 -12.685 -15.078 -18.782 1.00 73.19 O +ATOM 2479 CG1 VAL A 311 -13.839 -12.779 -17.175 1.00 73.19 C +ATOM 2480 CG2 VAL A 311 -12.025 -11.432 -16.182 1.00 73.19 C +ATOM 2481 N ARG A 312 -11.317 -13.933 -20.127 1.00 70.25 N +ATOM 2482 CA ARG A 312 -11.598 -14.706 -21.347 1.00 70.25 C +ATOM 2483 C ARG A 312 -10.652 -15.889 -21.537 1.00 70.25 C +ATOM 2484 CB ARG A 312 -11.508 -13.809 -22.589 1.00 70.25 C +ATOM 2485 O ARG A 312 -10.978 -16.750 -22.348 1.00 70.25 O +ATOM 2486 CG ARG A 312 -12.542 -12.681 -22.595 1.00 70.25 C +ATOM 2487 CD ARG A 312 -12.387 -11.876 -23.888 1.00 70.25 C +ATOM 2488 NE ARG A 312 -13.468 -10.881 -24.015 1.00 70.25 N +ATOM 2489 NH1 ARG A 312 -14.123 -11.339 -26.172 1.00 70.25 N +ATOM 2490 NH2 ARG A 312 -15.240 -9.830 -24.968 1.00 70.25 N +ATOM 2491 CZ ARG A 312 -14.265 -10.689 -25.049 1.00 70.25 C +ATOM 2492 N ARG A 313 -9.487 -15.886 -20.880 1.00 80.00 N +ATOM 2493 CA ARG A 313 -8.437 -16.896 -21.064 1.00 80.00 C +ATOM 2494 C ARG A 313 -8.380 -17.887 -19.912 1.00 80.00 C +ATOM 2495 CB ARG A 313 -7.067 -16.248 -21.307 1.00 80.00 C +ATOM 2496 O ARG A 313 -8.543 -19.073 -20.161 1.00 80.00 O +ATOM 2497 CG ARG A 313 -6.964 -15.283 -22.500 1.00 80.00 C +ATOM 2498 CD ARG A 313 -7.637 -15.805 -23.768 1.00 80.00 C +ATOM 2499 NE ARG A 313 -7.360 -14.925 -24.919 1.00 80.00 N +ATOM 2500 NH1 ARG A 313 -7.130 -16.641 -26.432 1.00 80.00 N +ATOM 2501 NH2 ARG A 313 -6.002 -14.754 -26.725 1.00 80.00 N +ATOM 2502 CZ ARG A 313 -6.883 -15.422 -26.043 1.00 80.00 C +ATOM 2503 N TYR A 314 -8.285 -17.388 -18.679 1.00 85.06 N +ATOM 2504 CA TYR A 314 -8.445 -18.175 -17.462 1.00 85.06 C +ATOM 2505 C TYR A 314 -9.926 -18.364 -17.173 1.00 85.06 C +ATOM 2506 CB TYR A 314 -7.743 -17.507 -16.278 1.00 85.06 C +ATOM 2507 O TYR A 314 -10.612 -17.469 -16.672 1.00 85.06 O +ATOM 2508 CG TYR A 314 -6.276 -17.830 -16.244 1.00 85.06 C +ATOM 2509 CD1 TYR A 314 -5.817 -18.875 -15.417 1.00 85.06 C +ATOM 2510 CD2 TYR A 314 -5.391 -17.158 -17.109 1.00 85.06 C +ATOM 2511 CE1 TYR A 314 -4.458 -19.236 -15.444 1.00 85.06 C +ATOM 2512 CE2 TYR A 314 -4.043 -17.547 -17.155 1.00 85.06 C +ATOM 2513 OH TYR A 314 -2.298 -18.999 -16.405 1.00 85.06 O +ATOM 2514 CZ TYR A 314 -3.575 -18.581 -16.323 1.00 85.06 C +ATOM 2515 N THR A 315 -10.420 -19.552 -17.491 1.00 87.19 N +ATOM 2516 CA THR A 315 -11.831 -19.910 -17.339 1.00 87.19 C +ATOM 2517 C THR A 315 -12.008 -20.898 -16.194 1.00 87.19 C +ATOM 2518 CB THR A 315 -12.420 -20.424 -18.663 1.00 87.19 C +ATOM 2519 O THR A 315 -11.350 -21.934 -16.156 1.00 87.19 O +ATOM 2520 CG2 THR A 315 -12.599 -19.282 -19.663 1.00 87.19 C +ATOM 2521 OG1 THR A 315 -11.593 -21.382 -19.284 1.00 87.19 O +ATOM 2522 N SER A 316 -12.911 -20.586 -15.258 1.00 91.06 N +ATOM 2523 CA SER A 316 -13.347 -21.511 -14.206 1.00 91.06 C +ATOM 2524 C SER A 316 -14.766 -21.993 -14.475 1.00 91.06 C +ATOM 2525 CB SER A 316 -13.214 -20.927 -12.797 1.00 91.06 C +ATOM 2526 O SER A 316 -15.694 -21.199 -14.617 1.00 91.06 O +ATOM 2527 OG SER A 316 -13.641 -19.581 -12.704 1.00 91.06 O +ATOM 2528 N THR A 317 -14.940 -23.310 -14.550 1.00 90.44 N +ATOM 2529 CA THR A 317 -16.238 -23.950 -14.787 1.00 90.44 C +ATOM 2530 C THR A 317 -16.536 -24.926 -13.659 1.00 90.44 C +ATOM 2531 CB THR A 317 -16.265 -24.661 -16.149 1.00 90.44 C +ATOM 2532 O THR A 317 -15.898 -25.972 -13.553 1.00 90.44 O +ATOM 2533 CG2 THR A 317 -17.640 -25.243 -16.476 1.00 90.44 C +ATOM 2534 OG1 THR A 317 -15.967 -23.748 -17.177 1.00 90.44 O +ATOM 2535 N LEU A 318 -17.531 -24.608 -12.827 1.00 93.00 N +ATOM 2536 CA LEU A 318 -18.109 -25.573 -11.891 1.00 93.00 C +ATOM 2537 C LEU A 318 -18.785 -26.686 -12.701 1.00 93.00 C +ATOM 2538 CB LEU A 318 -19.096 -24.846 -10.956 1.00 93.00 C +ATOM 2539 O LEU A 318 -19.768 -26.433 -13.404 1.00 93.00 O +ATOM 2540 CG LEU A 318 -19.801 -25.766 -9.939 1.00 93.00 C +ATOM 2541 CD1 LEU A 318 -18.823 -26.402 -8.951 1.00 93.00 C +ATOM 2542 CD2 LEU A 318 -20.824 -24.965 -9.132 1.00 93.00 C +ATOM 2543 N LEU A 319 -18.253 -27.906 -12.628 1.00 92.25 N +ATOM 2544 CA LEU A 319 -18.766 -29.018 -13.420 1.00 92.25 C +ATOM 2545 C LEU A 319 -20.196 -29.382 -12.969 1.00 92.25 C +ATOM 2546 CB LEU A 319 -17.808 -30.224 -13.365 1.00 92.25 C +ATOM 2547 O LEU A 319 -20.463 -29.465 -11.766 1.00 92.25 O +ATOM 2548 CG LEU A 319 -16.428 -29.993 -14.016 1.00 92.25 C +ATOM 2549 CD1 LEU A 319 -15.616 -31.288 -13.974 1.00 92.25 C +ATOM 2550 CD2 LEU A 319 -16.529 -29.571 -15.485 1.00 92.25 C +ATOM 2551 N PRO A 320 -21.137 -29.593 -13.909 1.00 87.25 N +ATOM 2552 CA PRO A 320 -22.504 -29.974 -13.577 1.00 87.25 C +ATOM 2553 C PRO A 320 -22.549 -31.383 -12.972 1.00 87.25 C +ATOM 2554 CB PRO A 320 -23.282 -29.884 -14.894 1.00 87.25 C +ATOM 2555 O PRO A 320 -21.857 -32.290 -13.429 1.00 87.25 O +ATOM 2556 CG PRO A 320 -22.215 -30.166 -15.952 1.00 87.25 C +ATOM 2557 CD PRO A 320 -20.962 -29.532 -15.353 1.00 87.25 C +ATOM 2558 N GLY A 321 -23.417 -31.580 -11.977 1.00 84.50 N +ATOM 2559 CA GLY A 321 -23.628 -32.885 -11.339 1.00 84.50 C +ATOM 2560 C GLY A 321 -24.845 -32.916 -10.415 1.00 84.50 C +ATOM 2561 O GLY A 321 -25.660 -33.829 -10.508 1.00 84.50 O +ATOM 2562 N ASP A 322 -25.026 -31.879 -9.591 1.00 88.62 N +ATOM 2563 CA ASP A 322 -26.232 -31.668 -8.779 1.00 88.62 C +ATOM 2564 C ASP A 322 -26.793 -30.256 -9.029 1.00 88.62 C +ATOM 2565 CB ASP A 322 -25.926 -31.943 -7.290 1.00 88.62 C +ATOM 2566 O ASP A 322 -26.097 -29.252 -8.864 1.00 88.62 O +ATOM 2567 CG ASP A 322 -27.169 -31.930 -6.382 1.00 88.62 C +ATOM 2568 OD1 ASP A 322 -28.229 -31.423 -6.804 1.00 88.62 O +ATOM 2569 OD2 ASP A 322 -27.086 -32.375 -5.214 1.00 88.62 O +ATOM 2570 N THR A 323 -28.070 -30.168 -9.408 1.00 91.81 N +ATOM 2571 CA THR A 323 -28.778 -28.892 -9.601 1.00 91.81 C +ATOM 2572 C THR A 323 -28.903 -28.084 -8.311 1.00 91.81 C +ATOM 2573 CB THR A 323 -30.193 -29.121 -10.150 1.00 91.81 C +ATOM 2574 O THR A 323 -28.951 -26.858 -8.365 1.00 91.81 O +ATOM 2575 CG2 THR A 323 -30.169 -29.602 -11.599 1.00 91.81 C +ATOM 2576 OG1 THR A 323 -30.882 -30.104 -9.405 1.00 91.81 O +ATOM 2577 N TRP A 324 -28.945 -28.740 -7.146 1.00 94.31 N +ATOM 2578 CA TRP A 324 -28.913 -28.056 -5.852 1.00 94.31 C +ATOM 2579 C TRP A 324 -27.571 -27.349 -5.677 1.00 94.31 C +ATOM 2580 CB TRP A 324 -29.179 -29.066 -4.733 1.00 94.31 C +ATOM 2581 O TRP A 324 -27.570 -26.163 -5.375 1.00 94.31 O +ATOM 2582 CG TRP A 324 -29.274 -28.547 -3.325 1.00 94.31 C +ATOM 2583 CD1 TRP A 324 -30.425 -28.298 -2.653 1.00 94.31 C +ATOM 2584 CD2 TRP A 324 -28.204 -28.381 -2.338 1.00 94.31 C +ATOM 2585 CE2 TRP A 324 -28.798 -28.073 -1.077 1.00 94.31 C +ATOM 2586 CE3 TRP A 324 -26.803 -28.551 -2.352 1.00 94.31 C +ATOM 2587 NE1 TRP A 324 -30.146 -27.995 -1.331 1.00 94.31 N +ATOM 2588 CH2 TRP A 324 -26.668 -28.165 0.057 1.00 94.31 C +ATOM 2589 CZ2 TRP A 324 -28.051 -27.955 0.102 1.00 94.31 C +ATOM 2590 CZ3 TRP A 324 -26.048 -28.458 -1.166 1.00 94.31 C +ATOM 2591 N ALA A 325 -26.452 -28.019 -5.981 1.00 93.44 N +ATOM 2592 CA ALA A 325 -25.118 -27.431 -5.865 1.00 93.44 C +ATOM 2593 C ALA A 325 -24.940 -26.188 -6.750 1.00 93.44 C +ATOM 2594 CB ALA A 325 -24.064 -28.492 -6.190 1.00 93.44 C +ATOM 2595 O ALA A 325 -24.394 -25.194 -6.287 1.00 93.44 O +ATOM 2596 N GLN A 326 -25.463 -26.208 -7.981 1.00 91.38 N +ATOM 2597 CA GLN A 326 -25.448 -25.044 -8.881 1.00 91.38 C +ATOM 2598 C GLN A 326 -26.348 -23.886 -8.413 1.00 91.38 C +ATOM 2599 CB GLN A 326 -25.879 -25.485 -10.287 1.00 91.38 C +ATOM 2600 O GLN A 326 -26.138 -22.745 -8.813 1.00 91.38 O +ATOM 2601 CG GLN A 326 -24.859 -26.420 -10.950 1.00 91.38 C +ATOM 2602 CD GLN A 326 -25.261 -26.777 -12.376 1.00 91.38 C +ATOM 2603 NE2 GLN A 326 -24.316 -26.888 -13.284 1.00 91.38 N +ATOM 2604 OE1 GLN A 326 -26.419 -26.971 -12.708 1.00 91.38 O +ATOM 2605 N GLN A 327 -27.358 -24.157 -7.580 1.00 93.81 N +ATOM 2606 CA GLN A 327 -28.206 -23.123 -6.977 1.00 93.81 C +ATOM 2607 C GLN A 327 -27.663 -22.610 -5.637 1.00 93.81 C +ATOM 2608 CB GLN A 327 -29.619 -23.672 -6.759 1.00 93.81 C +ATOM 2609 O GLN A 327 -27.951 -21.471 -5.269 1.00 93.81 O +ATOM 2610 CG GLN A 327 -30.409 -23.910 -8.052 1.00 93.81 C +ATOM 2611 CD GLN A 327 -31.762 -24.561 -7.773 1.00 93.81 C +ATOM 2612 NE2 GLN A 327 -32.461 -24.994 -8.800 1.00 93.81 N +ATOM 2613 OE1 GLN A 327 -32.231 -24.669 -6.642 1.00 93.81 O +ATOM 2614 N THR A 328 -26.934 -23.440 -4.883 1.00 95.19 N +ATOM 2615 CA THR A 328 -26.427 -23.116 -3.540 1.00 95.19 C +ATOM 2616 C THR A 328 -24.990 -22.633 -3.517 1.00 95.19 C +ATOM 2617 CB THR A 328 -26.515 -24.305 -2.574 1.00 95.19 C +ATOM 2618 O THR A 328 -24.637 -21.939 -2.570 1.00 95.19 O +ATOM 2619 CG2 THR A 328 -27.960 -24.705 -2.299 1.00 95.19 C +ATOM 2620 OG1 THR A 328 -25.826 -25.427 -3.068 1.00 95.19 O +ATOM 2621 N PHE A 329 -24.168 -22.976 -4.509 1.00 96.00 N +ATOM 2622 CA PHE A 329 -22.766 -22.579 -4.577 1.00 96.00 C +ATOM 2623 C PHE A 329 -22.424 -21.928 -5.912 1.00 96.00 C +ATOM 2624 CB PHE A 329 -21.831 -23.772 -4.342 1.00 96.00 C +ATOM 2625 O PHE A 329 -22.895 -22.346 -6.969 1.00 96.00 O +ATOM 2626 CG PHE A 329 -22.072 -24.535 -3.059 1.00 96.00 C +ATOM 2627 CD1 PHE A 329 -21.669 -24.000 -1.822 1.00 96.00 C +ATOM 2628 CD2 PHE A 329 -22.695 -25.793 -3.109 1.00 96.00 C +ATOM 2629 CE1 PHE A 329 -21.910 -24.719 -0.637 1.00 96.00 C +ATOM 2630 CE2 PHE A 329 -22.932 -26.508 -1.926 1.00 96.00 C +ATOM 2631 CZ PHE A 329 -22.560 -25.963 -0.686 1.00 96.00 C +ATOM 2632 N ARG A 330 -21.521 -20.952 -5.855 1.00 94.88 N +ATOM 2633 CA ARG A 330 -20.810 -20.415 -7.016 1.00 94.88 C +ATOM 2634 C ARG A 330 -19.305 -20.419 -6.760 1.00 94.88 C +ATOM 2635 CB ARG A 330 -21.383 -19.041 -7.407 1.00 94.88 C +ATOM 2636 O ARG A 330 -18.868 -20.463 -5.608 1.00 94.88 O +ATOM 2637 CG ARG A 330 -21.204 -17.938 -6.351 1.00 94.88 C +ATOM 2638 CD ARG A 330 -21.845 -16.634 -6.850 1.00 94.88 C +ATOM 2639 NE ARG A 330 -21.523 -15.499 -5.971 1.00 94.88 N +ATOM 2640 NH1 ARG A 330 -23.619 -14.978 -5.097 1.00 94.88 N +ATOM 2641 NH2 ARG A 330 -21.829 -13.843 -4.477 1.00 94.88 N +ATOM 2642 CZ ARG A 330 -22.335 -14.789 -5.202 1.00 94.88 C +ATOM 2643 N VAL A 331 -18.529 -20.395 -7.839 1.00 94.94 N +ATOM 2644 CA VAL A 331 -17.069 -20.264 -7.785 1.00 94.94 C +ATOM 2645 C VAL A 331 -16.711 -18.821 -8.101 1.00 94.94 C +ATOM 2646 CB VAL A 331 -16.356 -21.231 -8.744 1.00 94.94 C +ATOM 2647 O VAL A 331 -17.094 -18.299 -9.145 1.00 94.94 O +ATOM 2648 CG1 VAL A 331 -14.830 -21.106 -8.627 1.00 94.94 C +ATOM 2649 CG2 VAL A 331 -16.734 -22.687 -8.444 1.00 94.94 C +ATOM 2650 N GLU A 332 -15.976 -18.192 -7.198 1.00 94.12 N +ATOM 2651 CA GLU A 332 -15.338 -16.900 -7.409 1.00 94.12 C +ATOM 2652 C GLU A 332 -13.847 -17.131 -7.697 1.00 94.12 C +ATOM 2653 CB GLU A 332 -15.588 -16.022 -6.177 1.00 94.12 C +ATOM 2654 O GLU A 332 -13.228 -18.030 -7.131 1.00 94.12 O +ATOM 2655 CG GLU A 332 -15.375 -14.532 -6.467 1.00 94.12 C +ATOM 2656 CD GLU A 332 -15.567 -13.651 -5.221 1.00 94.12 C +ATOM 2657 OE1 GLU A 332 -15.428 -12.421 -5.381 1.00 94.12 O +ATOM 2658 OE2 GLU A 332 -15.806 -14.204 -4.120 1.00 94.12 O +ATOM 2659 N HIS A 333 -13.261 -16.343 -8.593 1.00 92.50 N +ATOM 2660 CA HIS A 333 -11.873 -16.486 -9.051 1.00 92.50 C +ATOM 2661 C HIS A 333 -11.184 -15.132 -9.053 1.00 92.50 C +ATOM 2662 CB HIS A 333 -11.884 -17.055 -10.479 1.00 92.50 C +ATOM 2663 O HIS A 333 -11.811 -14.159 -9.477 1.00 92.50 O +ATOM 2664 CG HIS A 333 -10.619 -16.832 -11.276 1.00 92.50 C +ATOM 2665 CD2 HIS A 333 -9.393 -17.357 -10.997 1.00 92.50 C +ATOM 2666 ND1 HIS A 333 -10.554 -16.170 -12.503 1.00 92.50 N +ATOM 2667 CE1 HIS A 333 -9.323 -16.405 -12.984 1.00 92.50 C +ATOM 2668 NE2 HIS A 333 -8.606 -17.123 -12.102 1.00 92.50 N +ATOM 2669 N TRP A 334 -9.900 -15.053 -8.697 1.00 88.19 N +ATOM 2670 CA TRP A 334 -9.035 -13.953 -9.141 1.00 88.19 C +ATOM 2671 C TRP A 334 -7.536 -14.256 -9.122 1.00 88.19 C +ATOM 2672 CB TRP A 334 -9.270 -12.682 -8.310 1.00 88.19 C +ATOM 2673 O TRP A 334 -7.082 -14.995 -8.258 1.00 88.19 O +ATOM 2674 CG TRP A 334 -9.040 -12.867 -6.856 1.00 88.19 C +ATOM 2675 CD1 TRP A 334 -7.861 -12.745 -6.204 1.00 88.19 C +ATOM 2676 CD2 TRP A 334 -9.996 -13.362 -5.887 1.00 88.19 C +ATOM 2677 CE2 TRP A 334 -9.318 -13.537 -4.648 1.00 88.19 C +ATOM 2678 CE3 TRP A 334 -11.359 -13.716 -5.953 1.00 88.19 C +ATOM 2679 NE1 TRP A 334 -8.013 -13.172 -4.899 1.00 88.19 N +ATOM 2680 CH2 TRP A 334 -11.339 -14.328 -3.612 1.00 88.19 C +ATOM 2681 CZ2 TRP A 334 -9.969 -14.032 -3.516 1.00 88.19 C +ATOM 2682 CZ3 TRP A 334 -12.023 -14.200 -4.821 1.00 88.19 C +ATOM 2683 N PRO A 335 -6.751 -13.640 -10.028 1.00 90.06 N +ATOM 2684 CA PRO A 335 -5.298 -13.604 -9.936 1.00 90.06 C +ATOM 2685 C PRO A 335 -4.821 -12.549 -8.929 1.00 90.06 C +ATOM 2686 CB PRO A 335 -4.823 -13.231 -11.339 1.00 90.06 C +ATOM 2687 O PRO A 335 -5.501 -11.557 -8.661 1.00 90.06 O +ATOM 2688 CG PRO A 335 -5.894 -12.234 -11.766 1.00 90.06 C +ATOM 2689 CD PRO A 335 -7.170 -12.810 -11.152 1.00 90.06 C +ATOM 2690 N ASN A 336 -3.586 -12.710 -8.475 1.00 89.19 N +ATOM 2691 CA ASN A 336 -2.758 -11.663 -7.898 1.00 89.19 C +ATOM 2692 C ASN A 336 -1.314 -11.856 -8.388 1.00 89.19 C +ATOM 2693 CB ASN A 336 -2.877 -11.748 -6.370 1.00 89.19 C +ATOM 2694 O ASN A 336 -0.829 -12.986 -8.413 1.00 89.19 O +ATOM 2695 CG ASN A 336 -2.214 -10.581 -5.668 1.00 89.19 C +ATOM 2696 ND2 ASN A 336 -1.885 -10.742 -4.409 1.00 89.19 N +ATOM 2697 OD1 ASN A 336 -2.007 -9.509 -6.210 1.00 89.19 O +ATOM 2698 N GLU A 337 -0.623 -10.784 -8.779 1.00 91.00 N +ATOM 2699 CA GLU A 337 0.791 -10.874 -9.168 1.00 91.00 C +ATOM 2700 C GLU A 337 1.673 -11.034 -7.918 1.00 91.00 C +ATOM 2701 CB GLU A 337 1.244 -9.664 -10.011 1.00 91.00 C +ATOM 2702 O GLU A 337 1.518 -10.325 -6.920 1.00 91.00 O +ATOM 2703 CG GLU A 337 0.732 -9.679 -11.467 1.00 91.00 C +ATOM 2704 CD GLU A 337 1.211 -8.465 -12.301 1.00 91.00 C +ATOM 2705 OE1 GLU A 337 0.551 -8.132 -13.318 1.00 91.00 O +ATOM 2706 OE2 GLU A 337 2.224 -7.827 -11.923 1.00 91.00 O +ATOM 2707 N THR A 338 2.633 -11.955 -7.978 1.00 89.19 N +ATOM 2708 CA THR A 338 3.617 -12.208 -6.920 1.00 89.19 C +ATOM 2709 C THR A 338 5.033 -12.205 -7.489 1.00 89.19 C +ATOM 2710 CB THR A 338 3.335 -13.511 -6.152 1.00 89.19 C +ATOM 2711 O THR A 338 5.251 -12.526 -8.655 1.00 89.19 O +ATOM 2712 CG2 THR A 338 1.933 -13.563 -5.546 1.00 89.19 C +ATOM 2713 OG1 THR A 338 3.500 -14.648 -6.959 1.00 89.19 O +ATOM 2714 N SER A 339 6.011 -11.804 -6.675 1.00 89.50 N +ATOM 2715 CA SER A 339 7.424 -11.814 -7.059 1.00 89.50 C +ATOM 2716 C SER A 339 8.093 -13.110 -6.606 1.00 89.50 C +ATOM 2717 CB SER A 339 8.146 -10.596 -6.480 1.00 89.50 C +ATOM 2718 O SER A 339 8.253 -13.327 -5.401 1.00 89.50 O +ATOM 2719 OG SER A 339 8.055 -10.586 -5.066 1.00 89.50 O +ATOM 2720 N VAL A 340 8.529 -13.929 -7.557 1.00 89.06 N +ATOM 2721 CA VAL A 340 9.268 -15.178 -7.327 1.00 89.06 C +ATOM 2722 C VAL A 340 10.760 -14.934 -7.571 1.00 89.06 C +ATOM 2723 CB VAL A 340 8.693 -16.321 -8.191 1.00 89.06 C +ATOM 2724 O VAL A 340 11.140 -14.079 -8.371 1.00 89.06 O +ATOM 2725 CG1 VAL A 340 9.392 -17.662 -7.930 1.00 89.06 C +ATOM 2726 CG2 VAL A 340 7.205 -16.526 -7.877 1.00 89.06 C +ATOM 2727 N GLN A 341 11.629 -15.643 -6.849 1.00 88.19 N +ATOM 2728 CA GLN A 341 13.074 -15.575 -7.081 1.00 88.19 C +ATOM 2729 C GLN A 341 13.495 -16.571 -8.163 1.00 88.19 C +ATOM 2730 CB GLN A 341 13.855 -15.824 -5.783 1.00 88.19 C +ATOM 2731 O GLN A 341 13.254 -17.767 -8.022 1.00 88.19 O +ATOM 2732 CG GLN A 341 13.757 -14.626 -4.831 1.00 88.19 C +ATOM 2733 CD GLN A 341 14.573 -14.800 -3.554 1.00 88.19 C +ATOM 2734 NE2 GLN A 341 14.672 -13.769 -2.747 1.00 88.19 N +ATOM 2735 OE1 GLN A 341 15.138 -15.833 -3.243 1.00 88.19 O +ATOM 2736 N ALA A 342 14.196 -16.084 -9.185 1.00 85.94 N +ATOM 2737 CA ALA A 342 14.774 -16.896 -10.251 1.00 85.94 C +ATOM 2738 C ALA A 342 16.237 -16.495 -10.476 1.00 85.94 C +ATOM 2739 CB ALA A 342 13.934 -16.729 -11.515 1.00 85.94 C +ATOM 2740 O ALA A 342 16.538 -15.339 -10.783 1.00 85.94 O +ATOM 2741 N ASN A 343 17.167 -17.436 -10.267 1.00 81.38 N +ATOM 2742 CA ASN A 343 18.617 -17.249 -10.447 1.00 81.38 C +ATOM 2743 C ASN A 343 19.198 -15.976 -9.780 1.00 81.38 C +ATOM 2744 CB ASN A 343 18.951 -17.418 -11.944 1.00 81.38 C +ATOM 2745 O ASN A 343 20.073 -15.306 -10.329 1.00 81.38 O +ATOM 2746 CG ASN A 343 18.716 -18.842 -12.421 1.00 81.38 C +ATOM 2747 ND2 ASN A 343 18.369 -19.035 -13.671 1.00 81.38 N +ATOM 2748 OD1 ASN A 343 18.856 -19.795 -11.673 1.00 81.38 O +ATOM 2749 N GLY A 344 18.701 -15.623 -8.588 1.00 76.06 N +ATOM 2750 CA GLY A 344 19.109 -14.421 -7.844 1.00 76.06 C +ATOM 2751 C GLY A 344 18.498 -13.105 -8.350 1.00 76.06 C +ATOM 2752 O GLY A 344 18.786 -12.045 -7.795 1.00 76.06 O +ATOM 2753 N SER A 345 17.645 -13.159 -9.373 1.00 82.12 N +ATOM 2754 CA SER A 345 16.757 -12.072 -9.783 1.00 82.12 C +ATOM 2755 C SER A 345 15.348 -12.268 -9.207 1.00 82.12 C +ATOM 2756 CB SER A 345 16.771 -11.936 -11.312 1.00 82.12 C +ATOM 2757 O SER A 345 15.038 -13.319 -8.644 1.00 82.12 O +ATOM 2758 OG SER A 345 15.862 -12.794 -11.963 1.00 82.12 O +ATOM 2759 N PHE A 346 14.499 -11.246 -9.332 1.00 88.50 N +ATOM 2760 CA PHE A 346 13.073 -11.343 -9.028 1.00 88.50 C +ATOM 2761 C PHE A 346 12.289 -11.241 -10.331 1.00 88.50 C +ATOM 2762 CB PHE A 346 12.645 -10.255 -8.036 1.00 88.50 C +ATOM 2763 O PHE A 346 12.428 -10.255 -11.058 1.00 88.50 O +ATOM 2764 CG PHE A 346 13.195 -10.429 -6.634 1.00 88.50 C +ATOM 2765 CD1 PHE A 346 12.448 -11.125 -5.664 1.00 88.50 C +ATOM 2766 CD2 PHE A 346 14.444 -9.879 -6.289 1.00 88.50 C +ATOM 2767 CE1 PHE A 346 12.934 -11.245 -4.349 1.00 88.50 C +ATOM 2768 CE2 PHE A 346 14.938 -10.012 -4.980 1.00 88.50 C +ATOM 2769 CZ PHE A 346 14.178 -10.685 -4.006 1.00 88.50 C +ATOM 2770 N VAL A 347 11.461 -12.245 -10.590 1.00 91.19 N +ATOM 2771 CA VAL A 347 10.520 -12.297 -11.710 1.00 91.19 C +ATOM 2772 C VAL A 347 9.100 -12.213 -11.167 1.00 91.19 C +ATOM 2773 CB VAL A 347 10.744 -13.541 -12.592 1.00 91.19 C +ATOM 2774 O VAL A 347 8.846 -12.518 -10.000 1.00 91.19 O +ATOM 2775 CG1 VAL A 347 12.141 -13.469 -13.219 1.00 91.19 C +ATOM 2776 CG2 VAL A 347 10.581 -14.858 -11.825 1.00 91.19 C +ATOM 2777 N ARG A 348 8.172 -11.742 -11.993 1.00 92.19 N +ATOM 2778 CA ARG A 348 6.745 -11.687 -11.660 1.00 92.19 C +ATOM 2779 C ARG A 348 6.037 -12.918 -12.227 1.00 92.19 C +ATOM 2780 CB ARG A 348 6.125 -10.353 -12.106 1.00 92.19 C +ATOM 2781 O ARG A 348 6.387 -13.372 -13.311 1.00 92.19 O +ATOM 2782 CG ARG A 348 6.456 -10.011 -13.565 1.00 92.19 C +ATOM 2783 CD ARG A 348 5.673 -8.791 -14.061 1.00 92.19 C +ATOM 2784 NE ARG A 348 5.527 -8.838 -15.524 1.00 92.19 N +ATOM 2785 NH1 ARG A 348 7.684 -8.302 -16.201 1.00 92.19 N +ATOM 2786 NH2 ARG A 348 6.191 -9.011 -17.677 1.00 92.19 N +ATOM 2787 CZ ARG A 348 6.466 -8.703 -16.441 1.00 92.19 C +ATOM 2788 N ALA A 349 5.072 -13.414 -11.469 1.00 91.75 N +ATOM 2789 CA ALA A 349 4.259 -14.596 -11.734 1.00 91.75 C +ATOM 2790 C ALA A 349 2.845 -14.352 -11.179 1.00 91.75 C +ATOM 2791 CB ALA A 349 4.948 -15.773 -11.035 1.00 91.75 C +ATOM 2792 O ALA A 349 2.665 -13.469 -10.329 1.00 91.75 O +ATOM 2793 N THR A 350 1.839 -15.108 -11.606 1.00 90.81 N +ATOM 2794 CA THR A 350 0.452 -14.956 -11.146 1.00 90.81 C +ATOM 2795 C THR A 350 0.032 -16.053 -10.158 1.00 90.81 C +ATOM 2796 CB THR A 350 -0.526 -14.822 -12.323 1.00 90.81 C +ATOM 2797 O THR A 350 0.517 -17.180 -10.153 1.00 90.81 O +ATOM 2798 CG2 THR A 350 -0.332 -13.522 -13.103 1.00 90.81 C +ATOM 2799 OG1 THR A 350 -0.426 -15.893 -13.210 1.00 90.81 O +ATOM 2800 N VAL A 351 -0.859 -15.709 -9.226 1.00 92.88 N +ATOM 2801 CA VAL A 351 -1.458 -16.655 -8.273 1.00 92.88 C +ATOM 2802 C VAL A 351 -2.965 -16.482 -8.299 1.00 92.88 C +ATOM 2803 CB VAL A 351 -0.905 -16.480 -6.845 1.00 92.88 C +ATOM 2804 O VAL A 351 -3.483 -15.450 -7.879 1.00 92.88 O +ATOM 2805 CG1 VAL A 351 -1.572 -17.454 -5.859 1.00 92.88 C +ATOM 2806 CG2 VAL A 351 0.599 -16.761 -6.799 1.00 92.88 C +ATOM 2807 N HIS A 352 -3.670 -17.497 -8.780 1.00 93.00 N +ATOM 2808 CA HIS A 352 -5.118 -17.522 -8.894 1.00 93.00 C +ATOM 2809 C HIS A 352 -5.751 -18.130 -7.635 1.00 93.00 C +ATOM 2810 CB HIS A 352 -5.515 -18.255 -10.179 1.00 93.00 C +ATOM 2811 O HIS A 352 -5.664 -19.337 -7.406 1.00 93.00 O +ATOM 2812 CG HIS A 352 -4.940 -17.644 -11.432 1.00 93.00 C +ATOM 2813 CD2 HIS A 352 -3.696 -17.890 -11.954 1.00 93.00 C +ATOM 2814 ND1 HIS A 352 -5.557 -16.732 -12.265 1.00 93.00 N +ATOM 2815 CE1 HIS A 352 -4.719 -16.469 -13.284 1.00 93.00 C +ATOM 2816 NE2 HIS A 352 -3.572 -17.115 -13.100 1.00 93.00 N +ATOM 2817 N ASP A 353 -6.405 -17.302 -6.820 1.00 94.38 N +ATOM 2818 CA ASP A 353 -7.317 -17.746 -5.765 1.00 94.38 C +ATOM 2819 C ASP A 353 -8.652 -18.190 -6.406 1.00 94.38 C +ATOM 2820 CB ASP A 353 -7.593 -16.610 -4.757 1.00 94.38 C +ATOM 2821 O ASP A 353 -9.262 -17.449 -7.182 1.00 94.38 O +ATOM 2822 CG ASP A 353 -6.473 -16.221 -3.768 1.00 94.38 C +ATOM 2823 OD1 ASP A 353 -5.919 -17.108 -3.074 1.00 94.38 O +ATOM 2824 OD2 ASP A 353 -6.265 -15.006 -3.537 1.00 94.38 O +ATOM 2825 N TYR A 354 -9.141 -19.375 -6.040 1.00 95.56 N +ATOM 2826 CA TYR A 354 -10.476 -19.881 -6.375 1.00 95.56 C +ATOM 2827 C TYR A 354 -11.257 -20.135 -5.084 1.00 95.56 C +ATOM 2828 CB TYR A 354 -10.378 -21.161 -7.218 1.00 95.56 C +ATOM 2829 O TYR A 354 -10.873 -20.986 -4.277 1.00 95.56 O +ATOM 2830 CG TYR A 354 -9.777 -20.958 -8.594 1.00 95.56 C +ATOM 2831 CD1 TYR A 354 -10.593 -20.555 -9.669 1.00 95.56 C +ATOM 2832 CD2 TYR A 354 -8.395 -21.145 -8.792 1.00 95.56 C +ATOM 2833 CE1 TYR A 354 -10.015 -20.324 -10.934 1.00 95.56 C +ATOM 2834 CE2 TYR A 354 -7.826 -20.939 -10.062 1.00 95.56 C +ATOM 2835 OH TYR A 354 -8.080 -20.216 -12.338 1.00 95.56 O +ATOM 2836 CZ TYR A 354 -8.634 -20.512 -11.134 1.00 95.56 C +ATOM 2837 N ARG A 355 -12.358 -19.409 -4.868 1.00 95.69 N +ATOM 2838 CA ARG A 355 -13.216 -19.539 -3.683 1.00 95.69 C +ATOM 2839 C ARG A 355 -14.558 -20.167 -4.018 1.00 95.69 C +ATOM 2840 CB ARG A 355 -13.418 -18.193 -2.976 1.00 95.69 C +ATOM 2841 O ARG A 355 -15.189 -19.813 -5.008 1.00 95.69 O +ATOM 2842 CG ARG A 355 -12.096 -17.581 -2.497 1.00 95.69 C +ATOM 2843 CD ARG A 355 -12.338 -16.704 -1.260 1.00 95.69 C +ATOM 2844 NE ARG A 355 -11.089 -16.091 -0.760 1.00 95.69 N +ATOM 2845 NH1 ARG A 355 -11.882 -13.973 -0.288 1.00 95.69 N +ATOM 2846 NH2 ARG A 355 -9.719 -14.431 -0.020 1.00 95.69 N +ATOM 2847 CZ ARG A 355 -10.910 -14.844 -0.352 1.00 95.69 C +ATOM 2848 N LEU A 356 -15.026 -21.051 -3.144 1.00 96.25 N +ATOM 2849 CA LEU A 356 -16.399 -21.547 -3.172 1.00 96.25 C +ATOM 2850 C LEU A 356 -17.256 -20.684 -2.239 1.00 96.25 C +ATOM 2851 CB LEU A 356 -16.405 -23.030 -2.775 1.00 96.25 C +ATOM 2852 O LEU A 356 -16.881 -20.496 -1.081 1.00 96.25 O +ATOM 2853 CG LEU A 356 -17.755 -23.699 -3.076 1.00 96.25 C +ATOM 2854 CD1 LEU A 356 -17.907 -24.013 -4.567 1.00 96.25 C +ATOM 2855 CD2 LEU A 356 -17.874 -24.999 -2.293 1.00 96.25 C +ATOM 2856 N VAL A 357 -18.389 -20.171 -2.720 1.00 97.00 N +ATOM 2857 CA VAL A 357 -19.225 -19.186 -2.006 1.00 97.00 C +ATOM 2858 C VAL A 357 -20.696 -19.614 -2.013 1.00 97.00 C +ATOM 2859 CB VAL A 357 -19.054 -17.781 -2.632 1.00 97.00 C +ATOM 2860 O VAL A 357 -21.181 -20.115 -3.029 1.00 97.00 O +ATOM 2861 CG1 VAL A 357 -19.790 -16.706 -1.827 1.00 97.00 C +ATOM 2862 CG2 VAL A 357 -17.576 -17.365 -2.710 1.00 97.00 C +ATOM 2863 N LEU A 358 -21.412 -19.419 -0.897 1.00 96.75 N +ATOM 2864 CA LEU A 358 -22.862 -19.644 -0.819 1.00 96.75 C +ATOM 2865 C LEU A 358 -23.641 -18.628 -1.664 1.00 96.75 C +ATOM 2866 CB LEU A 358 -23.370 -19.605 0.640 1.00 96.75 C +ATOM 2867 O LEU A 358 -23.445 -17.425 -1.548 1.00 96.75 O +ATOM 2868 CG LEU A 358 -23.019 -20.820 1.518 1.00 96.75 C +ATOM 2869 CD1 LEU A 358 -23.665 -20.685 2.899 1.00 96.75 C +ATOM 2870 CD2 LEU A 358 -23.539 -22.134 0.933 1.00 96.75 C +ATOM 2871 N ASN A 359 -24.582 -19.123 -2.465 1.00 94.38 N +ATOM 2872 CA ASN A 359 -25.378 -18.342 -3.415 1.00 94.38 C +ATOM 2873 C ASN A 359 -26.832 -18.090 -2.954 1.00 94.38 C +ATOM 2874 CB ASN A 359 -25.283 -19.068 -4.768 1.00 94.38 C +ATOM 2875 O ASN A 359 -27.632 -17.547 -3.705 1.00 94.38 O +ATOM 2876 CG ASN A 359 -25.748 -18.202 -5.921 1.00 94.38 C +ATOM 2877 ND2 ASN A 359 -26.743 -18.634 -6.657 1.00 94.38 N +ATOM 2878 OD1 ASN A 359 -25.188 -17.150 -6.187 1.00 94.38 O +ATOM 2879 N ARG A 360 -27.201 -18.544 -1.746 1.00 93.75 N +ATOM 2880 CA ARG A 360 -28.474 -18.246 -1.062 1.00 93.75 C +ATOM 2881 C ARG A 360 -28.385 -18.609 0.420 1.00 93.75 C +ATOM 2882 CB ARG A 360 -29.654 -18.989 -1.728 1.00 93.75 C +ATOM 2883 O ARG A 360 -27.536 -19.416 0.800 1.00 93.75 O +ATOM 2884 CG ARG A 360 -29.594 -20.525 -1.647 1.00 93.75 C +ATOM 2885 CD ARG A 360 -30.789 -21.132 -2.397 1.00 93.75 C +ATOM 2886 NE ARG A 360 -30.857 -22.602 -2.249 1.00 93.75 N +ATOM 2887 NH1 ARG A 360 -32.003 -23.079 -4.188 1.00 93.75 N +ATOM 2888 NH2 ARG A 360 -31.300 -24.747 -2.904 1.00 93.75 N +ATOM 2889 CZ ARG A 360 -31.386 -23.463 -3.105 1.00 93.75 C +ATOM 2890 N ASN A 361 -29.313 -18.103 1.233 1.00 93.75 N +ATOM 2891 CA ASN A 361 -29.482 -18.589 2.606 1.00 93.75 C +ATOM 2892 C ASN A 361 -29.891 -20.080 2.616 1.00 93.75 C +ATOM 2893 CB ASN A 361 -30.491 -17.718 3.378 1.00 93.75 C +ATOM 2894 O ASN A 361 -30.805 -20.472 1.885 1.00 93.75 O +ATOM 2895 CG ASN A 361 -30.024 -16.287 3.596 1.00 93.75 C +ATOM 2896 ND2 ASN A 361 -30.928 -15.339 3.622 1.00 93.75 N +ATOM 2897 OD1 ASN A 361 -28.855 -15.990 3.761 1.00 93.75 O +ATOM 2898 N LEU A 362 -29.243 -20.913 3.439 1.00 94.12 N +ATOM 2899 CA LEU A 362 -29.551 -22.347 3.552 1.00 94.12 C +ATOM 2900 C LEU A 362 -30.486 -22.664 4.726 1.00 94.12 C +ATOM 2901 CB LEU A 362 -28.275 -23.206 3.635 1.00 94.12 C +ATOM 2902 O LEU A 362 -30.331 -22.154 5.833 1.00 94.12 O +ATOM 2903 CG LEU A 362 -27.319 -23.129 2.432 1.00 94.12 C +ATOM 2904 CD1 LEU A 362 -26.216 -24.168 2.633 1.00 94.12 C +ATOM 2905 CD2 LEU A 362 -28.002 -23.432 1.097 1.00 94.12 C +ATOM 2906 N SER A 363 -31.401 -23.605 4.498 1.00 92.69 N +ATOM 2907 CA SER A 363 -32.306 -24.133 5.520 1.00 92.69 C +ATOM 2908 C SER A 363 -31.568 -24.965 6.578 1.00 92.69 C +ATOM 2909 CB SER A 363 -33.372 -24.985 4.829 1.00 92.69 C +ATOM 2910 O SER A 363 -30.632 -25.702 6.263 1.00 92.69 O +ATOM 2911 OG SER A 363 -34.193 -25.624 5.782 1.00 92.69 O +ATOM 2912 N ILE A 364 -32.036 -24.932 7.831 1.00 92.81 N +ATOM 2913 CA ILE A 364 -31.510 -25.761 8.934 1.00 92.81 C +ATOM 2914 C ILE A 364 -31.743 -27.272 8.765 1.00 92.81 C +ATOM 2915 CB ILE A 364 -32.094 -25.306 10.289 1.00 92.81 C +ATOM 2916 O ILE A 364 -31.159 -28.060 9.506 1.00 92.81 O +ATOM 2917 CG1 ILE A 364 -33.630 -25.457 10.361 1.00 92.81 C +ATOM 2918 CG2 ILE A 364 -31.639 -23.869 10.593 1.00 92.81 C +ATOM 2919 CD1 ILE A 364 -34.179 -25.277 11.779 1.00 92.81 C +ATOM 2920 N SER A 365 -32.611 -27.683 7.833 1.00 91.94 N +ATOM 2921 CA SER A 365 -32.927 -29.101 7.587 1.00 91.94 C +ATOM 2922 C SER A 365 -32.018 -29.761 6.545 1.00 91.94 C +ATOM 2923 CB SER A 365 -34.396 -29.274 7.189 1.00 91.94 C +ATOM 2924 O SER A 365 -32.120 -30.966 6.332 1.00 91.94 O +ATOM 2925 OG SER A 365 -35.240 -28.771 8.211 1.00 91.94 O +ATOM 2926 N GLU A 366 -31.139 -28.994 5.894 1.00 93.19 N +ATOM 2927 CA GLU A 366 -30.203 -29.514 4.894 1.00 93.19 C +ATOM 2928 C GLU A 366 -29.130 -30.387 5.559 1.00 93.19 C +ATOM 2929 CB GLU A 366 -29.560 -28.356 4.110 1.00 93.19 C +ATOM 2930 O GLU A 366 -28.355 -29.906 6.385 1.00 93.19 O +ATOM 2931 CG GLU A 366 -30.554 -27.582 3.225 1.00 93.19 C +ATOM 2932 CD GLU A 366 -30.988 -28.331 1.953 1.00 93.19 C +ATOM 2933 OE1 GLU A 366 -31.597 -27.675 1.076 1.00 93.19 O +ATOM 2934 OE2 GLU A 366 -30.655 -29.529 1.809 1.00 93.19 O +ATOM 2935 N ASN A 367 -29.089 -31.662 5.166 1.00 95.38 N +ATOM 2936 CA ASN A 367 -28.103 -32.657 5.587 1.00 95.38 C +ATOM 2937 C ASN A 367 -27.553 -33.360 4.338 1.00 95.38 C +ATOM 2938 CB ASN A 367 -28.770 -33.643 6.563 1.00 95.38 C +ATOM 2939 O ASN A 367 -28.121 -34.353 3.873 1.00 95.38 O +ATOM 2940 CG ASN A 367 -27.789 -34.661 7.118 1.00 95.38 C +ATOM 2941 ND2 ASN A 367 -28.267 -35.641 7.848 1.00 95.38 N +ATOM 2942 OD1 ASN A 367 -26.584 -34.573 6.967 1.00 95.38 O +ATOM 2943 N ARG A 368 -26.514 -32.785 3.727 1.00 94.62 N +ATOM 2944 CA ARG A 368 -25.962 -33.237 2.438 1.00 94.62 C +ATOM 2945 C ARG A 368 -24.441 -33.102 2.448 1.00 94.62 C +ATOM 2946 CB ARG A 368 -26.584 -32.448 1.256 1.00 94.62 C +ATOM 2947 O ARG A 368 -23.919 -32.069 2.852 1.00 94.62 O +ATOM 2948 CG ARG A 368 -28.129 -32.433 1.249 1.00 94.62 C +ATOM 2949 CD ARG A 368 -28.753 -31.754 0.017 1.00 94.62 C +ATOM 2950 NE ARG A 368 -29.022 -32.706 -1.088 1.00 94.62 N +ATOM 2951 NH1 ARG A 368 -28.022 -31.542 -2.794 1.00 94.62 N +ATOM 2952 NH2 ARG A 368 -28.909 -33.471 -3.259 1.00 94.62 N +ATOM 2953 CZ ARG A 368 -28.668 -32.569 -2.355 1.00 94.62 C +ATOM 2954 N THR A 369 -23.730 -34.111 1.955 1.00 95.62 N +ATOM 2955 CA THR A 369 -22.289 -34.032 1.671 1.00 95.62 C +ATOM 2956 C THR A 369 -22.051 -34.272 0.185 1.00 95.62 C +ATOM 2957 CB THR A 369 -21.465 -34.966 2.573 1.00 95.62 C +ATOM 2958 O THR A 369 -22.779 -35.046 -0.440 1.00 95.62 O +ATOM 2959 CG2 THR A 369 -21.638 -36.454 2.261 1.00 95.62 C +ATOM 2960 OG1 THR A 369 -20.099 -34.663 2.445 1.00 95.62 O +ATOM 2961 N MET A 370 -21.089 -33.564 -0.400 1.00 94.31 N +ATOM 2962 CA MET A 370 -20.783 -33.629 -1.828 1.00 94.31 C +ATOM 2963 C MET A 370 -19.347 -33.218 -2.121 1.00 94.31 C +ATOM 2964 CB MET A 370 -21.761 -32.758 -2.632 1.00 94.31 C +ATOM 2965 O MET A 370 -18.764 -32.393 -1.423 1.00 94.31 O +ATOM 2966 CG MET A 370 -21.813 -31.284 -2.191 1.00 94.31 C +ATOM 2967 SD MET A 370 -23.200 -30.346 -2.886 1.00 94.31 S +ATOM 2968 CE MET A 370 -24.591 -31.270 -2.177 1.00 94.31 C +ATOM 2969 N GLN A 371 -18.811 -33.760 -3.209 1.00 95.31 N +ATOM 2970 CA GLN A 371 -17.583 -33.285 -3.822 1.00 95.31 C +ATOM 2971 C GLN A 371 -17.950 -32.488 -5.074 1.00 95.31 C +ATOM 2972 CB GLN A 371 -16.673 -34.482 -4.101 1.00 95.31 C +ATOM 2973 O GLN A 371 -18.583 -33.014 -5.989 1.00 95.31 O +ATOM 2974 CG GLN A 371 -15.346 -34.050 -4.730 1.00 95.31 C +ATOM 2975 CD GLN A 371 -14.395 -35.232 -4.824 1.00 95.31 C +ATOM 2976 NE2 GLN A 371 -13.413 -35.313 -3.958 1.00 95.31 N +ATOM 2977 OE1 GLN A 371 -14.542 -36.107 -5.659 1.00 95.31 O +ATOM 2978 N LEU A 372 -17.572 -31.214 -5.102 1.00 95.19 N +ATOM 2979 CA LEU A 372 -17.700 -30.351 -6.271 1.00 95.19 C +ATOM 2980 C LEU A 372 -16.373 -30.345 -7.027 1.00 95.19 C +ATOM 2981 CB LEU A 372 -18.121 -28.935 -5.847 1.00 95.19 C +ATOM 2982 O LEU A 372 -15.313 -30.313 -6.406 1.00 95.19 O +ATOM 2983 CG LEU A 372 -19.392 -28.869 -4.983 1.00 95.19 C +ATOM 2984 CD1 LEU A 372 -19.698 -27.415 -4.639 1.00 95.19 C +ATOM 2985 CD2 LEU A 372 -20.607 -29.467 -5.690 1.00 95.19 C +ATOM 2986 N ALA A 373 -16.434 -30.357 -8.354 1.00 95.69 N +ATOM 2987 CA ALA A 373 -15.260 -30.296 -9.213 1.00 95.69 C +ATOM 2988 C ALA A 373 -15.297 -29.011 -10.048 1.00 95.69 C +ATOM 2989 CB ALA A 373 -15.201 -31.572 -10.056 1.00 95.69 C +ATOM 2990 O ALA A 373 -16.335 -28.671 -10.623 1.00 95.69 O +ATOM 2991 N VAL A 374 -14.178 -28.292 -10.109 1.00 95.31 N +ATOM 2992 CA VAL A 374 -14.043 -27.044 -10.868 1.00 95.31 C +ATOM 2993 C VAL A 374 -12.930 -27.215 -11.883 1.00 95.31 C +ATOM 2994 CB VAL A 374 -13.779 -25.831 -9.960 1.00 95.31 C +ATOM 2995 O VAL A 374 -11.773 -27.411 -11.518 1.00 95.31 O +ATOM 2996 CG1 VAL A 374 -13.732 -24.526 -10.763 1.00 95.31 C +ATOM 2997 CG2 VAL A 374 -14.861 -25.702 -8.881 1.00 95.31 C +ATOM 2998 N LEU A 375 -13.289 -27.135 -13.159 1.00 93.94 N +ATOM 2999 CA LEU A 375 -12.332 -27.114 -14.253 1.00 93.94 C +ATOM 3000 C LEU A 375 -11.735 -25.710 -14.355 1.00 93.94 C +ATOM 3001 CB LEU A 375 -13.064 -27.527 -15.538 1.00 93.94 C +ATOM 3002 O LEU A 375 -12.476 -24.742 -14.535 1.00 93.94 O +ATOM 3003 CG LEU A 375 -12.133 -27.763 -16.738 1.00 93.94 C +ATOM 3004 CD1 LEU A 375 -11.324 -29.045 -16.542 1.00 93.94 C +ATOM 3005 CD2 LEU A 375 -12.973 -27.915 -18.006 1.00 93.94 C +ATOM 3006 N VAL A 376 -10.416 -25.617 -14.252 1.00 92.88 N +ATOM 3007 CA VAL A 376 -9.624 -24.431 -14.575 1.00 92.88 C +ATOM 3008 C VAL A 376 -8.960 -24.693 -15.916 1.00 92.88 C +ATOM 3009 CB VAL A 376 -8.589 -24.147 -13.475 1.00 92.88 C +ATOM 3010 O VAL A 376 -8.321 -25.724 -16.097 1.00 92.88 O +ATOM 3011 CG1 VAL A 376 -7.618 -23.026 -13.864 1.00 92.88 C +ATOM 3012 CG2 VAL A 376 -9.296 -23.756 -12.172 1.00 92.88 C +ATOM 3013 N ASN A 377 -9.131 -23.785 -16.864 1.00 90.62 N +ATOM 3014 CA ASN A 377 -8.539 -23.893 -18.190 1.00 90.62 C +ATOM 3015 C ASN A 377 -7.905 -22.556 -18.557 1.00 90.62 C +ATOM 3016 CB ASN A 377 -9.641 -24.346 -19.164 1.00 90.62 C +ATOM 3017 O ASN A 377 -8.630 -21.557 -18.642 1.00 90.62 O +ATOM 3018 CG ASN A 377 -9.229 -24.244 -20.620 1.00 90.62 C +ATOM 3019 ND2 ASN A 377 -9.638 -23.215 -21.317 1.00 90.62 N +ATOM 3020 OD1 ASN A 377 -8.577 -25.104 -21.171 1.00 90.62 O +ATOM 3021 N ASP A 378 -6.594 -22.572 -18.784 1.00 88.38 N +ATOM 3022 CA ASP A 378 -5.904 -21.561 -19.568 1.00 88.38 C +ATOM 3023 C ASP A 378 -6.019 -21.920 -21.055 1.00 88.38 C +ATOM 3024 CB ASP A 378 -4.441 -21.382 -19.148 1.00 88.38 C +ATOM 3025 O ASP A 378 -5.747 -23.041 -21.486 1.00 88.38 O +ATOM 3026 CG ASP A 378 -3.907 -20.046 -19.688 1.00 88.38 C +ATOM 3027 OD1 ASP A 378 -4.545 -19.495 -20.630 1.00 88.38 O +ATOM 3028 OD2 ASP A 378 -2.980 -19.523 -19.055 1.00 88.38 O +ATOM 3029 N SER A 379 -6.507 -20.962 -21.835 1.00 81.94 N +ATOM 3030 CA SER A 379 -6.795 -21.126 -23.258 1.00 81.94 C +ATOM 3031 C SER A 379 -5.724 -20.571 -24.197 1.00 81.94 C +ATOM 3032 CB SER A 379 -8.144 -20.485 -23.580 1.00 81.94 C +ATOM 3033 O SER A 379 -5.867 -20.778 -25.405 1.00 81.94 O +ATOM 3034 OG SER A 379 -8.017 -19.079 -23.545 1.00 81.94 O +ATOM 3035 N ASP A 380 -4.740 -19.812 -23.700 1.00 74.75 N +ATOM 3036 CA ASP A 380 -3.653 -19.284 -24.542 1.00 74.75 C +ATOM 3037 C ASP A 380 -2.368 -20.134 -24.478 1.00 74.75 C +ATOM 3038 CB ASP A 380 -3.393 -17.788 -24.266 1.00 74.75 C +ATOM 3039 O ASP A 380 -1.603 -20.048 -25.439 1.00 74.75 O +ATOM 3040 CG ASP A 380 -4.126 -16.793 -25.171 1.00 74.75 C +ATOM 3041 OD1 ASP A 380 -4.480 -17.074 -26.351 1.00 74.75 O +ATOM 3042 OD2 ASP A 380 -4.396 -15.645 -24.743 1.00 74.75 O +ATOM 3043 N PHE A 381 -2.204 -21.003 -23.467 1.00 79.62 N +ATOM 3044 CA PHE A 381 -1.072 -21.930 -23.283 1.00 79.62 C +ATOM 3045 C PHE A 381 -0.582 -22.614 -24.564 1.00 79.62 C +ATOM 3046 CB PHE A 381 -1.412 -22.953 -22.187 1.00 79.62 C +ATOM 3047 O PHE A 381 -1.275 -23.431 -25.183 1.00 79.62 O +ATOM 3048 CG PHE A 381 -0.283 -23.925 -21.886 1.00 79.62 C +ATOM 3049 CD1 PHE A 381 -0.361 -25.265 -22.312 1.00 79.62 C +ATOM 3050 CD2 PHE A 381 0.869 -23.478 -21.216 1.00 79.62 C +ATOM 3051 CE1 PHE A 381 0.690 -26.159 -22.039 1.00 79.62 C +ATOM 3052 CE2 PHE A 381 1.921 -24.373 -20.952 1.00 79.62 C +ATOM 3053 CZ PHE A 381 1.832 -25.716 -21.351 1.00 79.62 C +ATOM 3054 N GLN A 382 0.661 -22.292 -24.933 1.00 71.44 N +ATOM 3055 CA GLN A 382 1.356 -22.774 -26.135 1.00 71.44 C +ATOM 3056 C GLN A 382 2.453 -23.796 -25.807 1.00 71.44 C +ATOM 3057 CB GLN A 382 1.933 -21.588 -26.942 1.00 71.44 C +ATOM 3058 O GLN A 382 3.031 -24.392 -26.721 1.00 71.44 O +ATOM 3059 CG GLN A 382 0.892 -20.475 -27.105 1.00 71.44 C +ATOM 3060 CD GLN A 382 1.239 -19.334 -28.045 1.00 71.44 C +ATOM 3061 NE2 GLN A 382 0.523 -18.241 -27.907 1.00 71.44 N +ATOM 3062 OE1 GLN A 382 2.090 -19.374 -28.923 1.00 71.44 O +ATOM 3063 N GLY A 383 2.741 -23.999 -24.518 1.00 67.38 N +ATOM 3064 CA GLY A 383 3.766 -24.917 -24.037 1.00 67.38 C +ATOM 3065 C GLY A 383 3.426 -26.410 -24.217 1.00 67.38 C +ATOM 3066 O GLY A 383 2.320 -26.800 -24.606 1.00 67.38 O +ATOM 3067 N PRO A 384 4.389 -27.304 -23.932 1.00 66.31 N +ATOM 3068 CA PRO A 384 4.190 -28.746 -24.015 1.00 66.31 C +ATOM 3069 C PRO A 384 3.403 -29.275 -22.803 1.00 66.31 C +ATOM 3070 CB PRO A 384 5.607 -29.322 -24.109 1.00 66.31 C +ATOM 3071 O PRO A 384 3.971 -29.568 -21.753 1.00 66.31 O +ATOM 3072 CG PRO A 384 6.450 -28.325 -23.309 1.00 66.31 C +ATOM 3073 CD PRO A 384 5.763 -26.985 -23.574 1.00 66.31 C +ATOM 3074 N GLY A 385 2.093 -29.467 -22.956 1.00 68.81 N +ATOM 3075 CA GLY A 385 1.248 -30.028 -21.900 1.00 68.81 C +ATOM 3076 C GLY A 385 -0.243 -29.850 -22.167 1.00 68.81 C +ATOM 3077 O GLY A 385 -0.673 -29.746 -23.314 1.00 68.81 O +ATOM 3078 N ALA A 386 -1.027 -29.800 -21.094 1.00 73.88 N +ATOM 3079 CA ALA A 386 -2.397 -29.307 -21.118 1.00 73.88 C +ATOM 3080 C ALA A 386 -2.508 -28.167 -20.101 1.00 73.88 C +ATOM 3081 CB ALA A 386 -3.361 -30.464 -20.807 1.00 73.88 C +ATOM 3082 O ALA A 386 -2.250 -28.397 -18.921 1.00 73.88 O +ATOM 3083 N GLY A 387 -2.937 -26.979 -20.536 1.00 83.44 N +ATOM 3084 CA GLY A 387 -3.219 -25.820 -19.671 1.00 83.44 C +ATOM 3085 C GLY A 387 -4.484 -25.990 -18.815 1.00 83.44 C +ATOM 3086 O GLY A 387 -5.242 -25.048 -18.610 1.00 83.44 O +ATOM 3087 N VAL A 388 -4.782 -27.218 -18.382 1.00 90.06 N +ATOM 3088 CA VAL A 388 -6.059 -27.613 -17.781 1.00 90.06 C +ATOM 3089 C VAL A 388 -5.815 -28.273 -16.434 1.00 90.06 C +ATOM 3090 CB VAL A 388 -6.859 -28.552 -18.701 1.00 90.06 C +ATOM 3091 O VAL A 388 -5.134 -29.293 -16.342 1.00 90.06 O +ATOM 3092 CG1 VAL A 388 -8.249 -28.829 -18.116 1.00 90.06 C +ATOM 3093 CG2 VAL A 388 -7.067 -27.957 -20.096 1.00 90.06 C +ATOM 3094 N LEU A 389 -6.439 -27.722 -15.398 1.00 92.25 N +ATOM 3095 CA LEU A 389 -6.332 -28.165 -14.015 1.00 92.25 C +ATOM 3096 C LEU A 389 -7.728 -28.465 -13.447 1.00 92.25 C +ATOM 3097 CB LEU A 389 -5.563 -27.079 -13.238 1.00 92.25 C +ATOM 3098 O LEU A 389 -8.722 -27.853 -13.843 1.00 92.25 O +ATOM 3099 CG LEU A 389 -4.874 -27.561 -11.955 1.00 92.25 C +ATOM 3100 CD1 LEU A 389 -3.696 -28.487 -12.264 1.00 92.25 C +ATOM 3101 CD2 LEU A 389 -4.344 -26.348 -11.198 1.00 92.25 C +ATOM 3102 N LEU A 390 -7.823 -29.412 -12.513 1.00 93.81 N +ATOM 3103 CA LEU A 390 -9.087 -29.803 -11.884 1.00 93.81 C +ATOM 3104 C LEU A 390 -8.999 -29.592 -10.372 1.00 93.81 C +ATOM 3105 CB LEU A 390 -9.409 -31.260 -12.265 1.00 93.81 C +ATOM 3106 O LEU A 390 -8.184 -30.222 -9.709 1.00 93.81 O +ATOM 3107 CG LEU A 390 -10.825 -31.715 -11.862 1.00 93.81 C +ATOM 3108 CD1 LEU A 390 -11.907 -30.977 -12.659 1.00 93.81 C +ATOM 3109 CD2 LEU A 390 -10.985 -33.208 -12.149 1.00 93.81 C +ATOM 3110 N LEU A 391 -9.838 -28.706 -9.837 1.00 95.75 N +ATOM 3111 CA LEU A 391 -9.938 -28.438 -8.400 1.00 95.75 C +ATOM 3112 C LEU A 391 -11.083 -29.245 -7.790 1.00 95.75 C +ATOM 3113 CB LEU A 391 -10.178 -26.943 -8.126 1.00 95.75 C +ATOM 3114 O LEU A 391 -12.144 -29.379 -8.407 1.00 95.75 O +ATOM 3115 CG LEU A 391 -9.346 -25.936 -8.932 1.00 95.75 C +ATOM 3116 CD1 LEU A 391 -9.731 -24.518 -8.512 1.00 95.75 C +ATOM 3117 CD2 LEU A 391 -7.855 -26.110 -8.691 1.00 95.75 C +ATOM 3118 N HIS A 392 -10.920 -29.683 -6.545 1.00 96.12 N +ATOM 3119 CA HIS A 392 -11.932 -30.442 -5.816 1.00 96.12 C +ATOM 3120 C HIS A 392 -12.315 -29.767 -4.488 1.00 96.12 C +ATOM 3121 CB HIS A 392 -11.414 -31.869 -5.617 1.00 96.12 C +ATOM 3122 O HIS A 392 -11.468 -29.461 -3.651 1.00 96.12 O +ATOM 3123 CG HIS A 392 -11.327 -32.667 -6.894 1.00 96.12 C +ATOM 3124 CD2 HIS A 392 -10.186 -33.004 -7.578 1.00 96.12 C +ATOM 3125 ND1 HIS A 392 -12.390 -33.205 -7.585 1.00 96.12 N +ATOM 3126 CE1 HIS A 392 -11.903 -33.855 -8.653 1.00 96.12 C +ATOM 3127 NE2 HIS A 392 -10.569 -33.761 -8.694 1.00 96.12 N +ATOM 3128 N PHE A 393 -13.614 -29.582 -4.253 1.00 96.62 N +ATOM 3129 CA PHE A 393 -14.150 -29.045 -3.001 1.00 96.62 C +ATOM 3130 C PHE A 393 -15.045 -30.079 -2.313 1.00 96.62 C +ATOM 3131 CB PHE A 393 -14.895 -27.730 -3.257 1.00 96.62 C +ATOM 3132 O PHE A 393 -16.134 -30.380 -2.799 1.00 96.62 O +ATOM 3133 CG PHE A 393 -14.023 -26.594 -3.754 1.00 96.62 C +ATOM 3134 CD1 PHE A 393 -13.276 -25.839 -2.833 1.00 96.62 C +ATOM 3135 CD2 PHE A 393 -13.951 -26.288 -5.126 1.00 96.62 C +ATOM 3136 CE1 PHE A 393 -12.484 -24.762 -3.271 1.00 96.62 C +ATOM 3137 CE2 PHE A 393 -13.149 -25.219 -5.567 1.00 96.62 C +ATOM 3138 CZ PHE A 393 -12.427 -24.447 -4.640 1.00 96.62 C +ATOM 3139 N ASN A 394 -14.609 -30.605 -1.169 1.00 96.25 N +ATOM 3140 CA ASN A 394 -15.401 -31.520 -0.346 1.00 96.25 C +ATOM 3141 C ASN A 394 -16.248 -30.697 0.632 1.00 96.25 C +ATOM 3142 CB ASN A 394 -14.471 -32.493 0.398 1.00 96.25 C +ATOM 3143 O ASN A 394 -15.719 -30.132 1.590 1.00 96.25 O +ATOM 3144 CG ASN A 394 -13.637 -33.393 -0.494 1.00 96.25 C +ATOM 3145 ND2 ASN A 394 -12.507 -33.835 0.006 1.00 96.25 N +ATOM 3146 OD1 ASN A 394 -13.976 -33.720 -1.619 1.00 96.25 O +ATOM 3147 N VAL A 395 -17.557 -30.618 0.406 1.00 96.56 N +ATOM 3148 CA VAL A 395 -18.472 -29.778 1.187 1.00 96.56 C +ATOM 3149 C VAL A 395 -19.452 -30.643 1.965 1.00 96.56 C +ATOM 3150 CB VAL A 395 -19.230 -28.775 0.301 1.00 96.56 C +ATOM 3151 O VAL A 395 -20.207 -31.416 1.377 1.00 96.56 O +ATOM 3152 CG1 VAL A 395 -20.001 -27.780 1.179 1.00 96.56 C +ATOM 3153 CG2 VAL A 395 -18.289 -27.970 -0.600 1.00 96.56 C +ATOM 3154 N SER A 396 -19.484 -30.476 3.287 1.00 97.12 N +ATOM 3155 CA SER A 396 -20.477 -31.117 4.158 1.00 97.12 C +ATOM 3156 C SER A 396 -21.401 -30.076 4.778 1.00 97.12 C +ATOM 3157 CB SER A 396 -19.790 -31.967 5.226 1.00 97.12 C +ATOM 3158 O SER A 396 -20.974 -29.256 5.585 1.00 97.12 O +ATOM 3159 OG SER A 396 -19.084 -33.015 4.585 1.00 97.12 O +ATOM 3160 N VAL A 397 -22.677 -30.106 4.401 1.00 96.94 N +ATOM 3161 CA VAL A 397 -23.733 -29.256 4.956 1.00 96.94 C +ATOM 3162 C VAL A 397 -24.476 -30.057 6.020 1.00 96.94 C +ATOM 3163 CB VAL A 397 -24.671 -28.731 3.851 1.00 96.94 C +ATOM 3164 O VAL A 397 -25.219 -30.981 5.690 1.00 96.94 O +ATOM 3165 CG1 VAL A 397 -25.678 -27.731 4.434 1.00 96.94 C +ATOM 3166 CG2 VAL A 397 -23.865 -28.056 2.726 1.00 96.94 C +ATOM 3167 N LEU A 398 -24.236 -29.728 7.290 1.00 96.06 N +ATOM 3168 CA LEU A 398 -24.763 -30.459 8.450 1.00 96.06 C +ATOM 3169 C LEU A 398 -26.071 -29.820 8.946 1.00 96.06 C +ATOM 3170 CB LEU A 398 -23.707 -30.482 9.573 1.00 96.06 C +ATOM 3171 O LEU A 398 -26.157 -28.595 8.947 1.00 96.06 O +ATOM 3172 CG LEU A 398 -22.354 -31.111 9.194 1.00 96.06 C +ATOM 3173 CD1 LEU A 398 -21.419 -31.078 10.402 1.00 96.06 C +ATOM 3174 CD2 LEU A 398 -22.488 -32.563 8.727 1.00 96.06 C +ATOM 3175 N PRO A 399 -27.089 -30.577 9.381 1.00 94.38 N +ATOM 3176 CA PRO A 399 -28.344 -29.997 9.855 1.00 94.38 C +ATOM 3177 C PRO A 399 -28.164 -29.332 11.226 1.00 94.38 C +ATOM 3178 CB PRO A 399 -29.325 -31.167 9.908 1.00 94.38 C +ATOM 3179 O PRO A 399 -27.396 -29.810 12.056 1.00 94.38 O +ATOM 3180 CG PRO A 399 -28.415 -32.355 10.231 1.00 94.38 C +ATOM 3181 CD PRO A 399 -27.113 -32.022 9.501 1.00 94.38 C +ATOM 3182 N VAL A 400 -28.930 -28.273 11.504 1.00 92.50 N +ATOM 3183 CA VAL A 400 -28.888 -27.571 12.801 1.00 92.50 C +ATOM 3184 C VAL A 400 -30.030 -28.053 13.704 1.00 92.50 C +ATOM 3185 CB VAL A 400 -28.854 -26.038 12.625 1.00 92.50 C +ATOM 3186 O VAL A 400 -31.189 -28.177 13.281 1.00 92.50 O +ATOM 3187 CG1 VAL A 400 -28.768 -25.288 13.960 1.00 92.50 C +ATOM 3188 CG2 VAL A 400 -27.649 -25.601 11.777 1.00 92.50 C +ATOM 3189 N SER A 401 -29.710 -28.337 14.967 1.00 89.44 N +ATOM 3190 CA SER A 401 -30.674 -28.648 16.025 1.00 89.44 C +ATOM 3191 C SER A 401 -31.147 -27.379 16.730 1.00 89.44 C +ATOM 3192 CB SER A 401 -30.055 -29.610 17.048 1.00 89.44 C +ATOM 3193 O SER A 401 -30.338 -26.603 17.222 1.00 89.44 O +ATOM 3194 OG SER A 401 -28.780 -29.166 17.456 1.00 89.44 O +ATOM 3195 N LEU A 402 -32.464 -27.204 16.859 1.00 88.94 N +ATOM 3196 CA LEU A 402 -33.056 -26.126 17.657 1.00 88.94 C +ATOM 3197 C LEU A 402 -33.229 -26.553 19.126 1.00 88.94 C +ATOM 3198 CB LEU A 402 -34.376 -25.641 17.022 1.00 88.94 C +ATOM 3199 O LEU A 402 -34.331 -26.475 19.655 1.00 88.94 O +ATOM 3200 CG LEU A 402 -34.278 -25.095 15.588 1.00 88.94 C +ATOM 3201 CD1 LEU A 402 -35.683 -24.708 15.125 1.00 88.94 C +ATOM 3202 CD2 LEU A 402 -33.367 -23.871 15.475 1.00 88.94 C +ATOM 3203 N HIS A 403 -32.198 -27.102 19.774 1.00 90.00 N +ATOM 3204 CA HIS A 403 -32.330 -27.541 21.168 1.00 90.00 C +ATOM 3205 C HIS A 403 -32.412 -26.335 22.121 1.00 90.00 C +ATOM 3206 CB HIS A 403 -31.210 -28.522 21.547 1.00 90.00 C +ATOM 3207 O HIS A 403 -31.728 -25.332 21.921 1.00 90.00 O +ATOM 3208 CG HIS A 403 -31.389 -29.126 22.922 1.00 90.00 C +ATOM 3209 CD2 HIS A 403 -30.475 -29.102 23.943 1.00 90.00 C +ATOM 3210 ND1 HIS A 403 -32.517 -29.759 23.405 1.00 90.00 N +ATOM 3211 CE1 HIS A 403 -32.293 -30.084 24.690 1.00 90.00 C +ATOM 3212 NE2 HIS A 403 -31.063 -29.713 25.060 1.00 90.00 N +ATOM 3213 N LEU A 404 -33.260 -26.432 23.148 1.00 92.38 N +ATOM 3214 CA LEU A 404 -33.304 -25.501 24.275 1.00 92.38 C +ATOM 3215 C LEU A 404 -33.085 -26.294 25.572 1.00 92.38 C +ATOM 3216 CB LEU A 404 -34.648 -24.747 24.382 1.00 92.38 C +ATOM 3217 O LEU A 404 -33.605 -27.410 25.675 1.00 92.38 O +ATOM 3218 CG LEU A 404 -34.864 -23.610 23.371 1.00 92.38 C +ATOM 3219 CD1 LEU A 404 -35.433 -24.122 22.054 1.00 92.38 C +ATOM 3220 CD2 LEU A 404 -35.872 -22.593 23.915 1.00 92.38 C +ATOM 3221 N PRO A 405 -32.422 -25.700 26.583 1.00 91.69 N +ATOM 3222 CA PRO A 405 -32.454 -26.179 27.961 1.00 91.69 C +ATOM 3223 C PRO A 405 -33.876 -26.542 28.408 1.00 91.69 C +ATOM 3224 CB PRO A 405 -31.896 -25.023 28.803 1.00 91.69 C +ATOM 3225 O PRO A 405 -34.806 -25.760 28.221 1.00 91.69 O +ATOM 3226 CG PRO A 405 -30.963 -24.297 27.836 1.00 91.69 C +ATOM 3227 CD PRO A 405 -31.660 -24.465 26.489 1.00 91.69 C +ATOM 3228 N SER A 406 -34.049 -27.715 29.023 1.00 91.38 N +ATOM 3229 CA SER A 406 -35.376 -28.259 29.355 1.00 91.38 C +ATOM 3230 C SER A 406 -36.212 -27.356 30.269 1.00 91.38 C +ATOM 3231 CB SER A 406 -35.219 -29.619 30.043 1.00 91.38 C +ATOM 3232 O SER A 406 -37.436 -27.305 30.130 1.00 91.38 O +ATOM 3233 OG SER A 406 -34.437 -30.490 29.245 1.00 91.38 O +ATOM 3234 N THR A 407 -35.558 -26.637 31.187 1.00 93.19 N +ATOM 3235 CA THR A 407 -36.202 -25.750 32.160 1.00 93.19 C +ATOM 3236 C THR A 407 -35.372 -24.483 32.364 1.00 93.19 C +ATOM 3237 CB THR A 407 -36.404 -26.452 33.517 1.00 93.19 C +ATOM 3238 O THR A 407 -34.191 -24.558 32.697 1.00 93.19 O +ATOM 3239 CG2 THR A 407 -37.263 -25.636 34.485 1.00 93.19 C +ATOM 3240 OG1 THR A 407 -37.045 -27.702 33.376 1.00 93.19 O +ATOM 3241 N TYR A 408 -36.011 -23.323 32.240 1.00 94.69 N +ATOM 3242 CA TYR A 408 -35.515 -22.036 32.715 1.00 94.69 C +ATOM 3243 C TYR A 408 -36.189 -21.704 34.050 1.00 94.69 C +ATOM 3244 CB TYR A 408 -35.801 -20.946 31.674 1.00 94.69 C +ATOM 3245 O TYR A 408 -37.417 -21.648 34.133 1.00 94.69 O +ATOM 3246 CG TYR A 408 -35.086 -21.124 30.349 1.00 94.69 C +ATOM 3247 CD1 TYR A 408 -33.740 -20.725 30.214 1.00 94.69 C +ATOM 3248 CD2 TYR A 408 -35.775 -21.664 29.246 1.00 94.69 C +ATOM 3249 CE1 TYR A 408 -33.089 -20.835 28.970 1.00 94.69 C +ATOM 3250 CE2 TYR A 408 -35.130 -21.768 28.001 1.00 94.69 C +ATOM 3251 OH TYR A 408 -33.213 -21.382 26.630 1.00 94.69 O +ATOM 3252 CZ TYR A 408 -33.794 -21.339 27.856 1.00 94.69 C +ATOM 3253 N SER A 409 -35.391 -21.469 35.088 1.00 93.88 N +ATOM 3254 CA SER A 409 -35.845 -21.033 36.413 1.00 93.88 C +ATOM 3255 C SER A 409 -35.307 -19.638 36.710 1.00 93.88 C +ATOM 3256 CB SER A 409 -35.376 -22.021 37.485 1.00 93.88 C +ATOM 3257 O SER A 409 -34.091 -19.445 36.725 1.00 93.88 O +ATOM 3258 OG SER A 409 -33.970 -22.176 37.438 1.00 93.88 O +ATOM 3259 N LEU A 410 -36.195 -18.675 36.947 1.00 94.06 N +ATOM 3260 CA LEU A 410 -35.830 -17.288 37.249 1.00 94.06 C +ATOM 3261 C LEU A 410 -36.826 -16.654 38.229 1.00 94.06 C +ATOM 3262 CB LEU A 410 -35.637 -16.507 35.928 1.00 94.06 C +ATOM 3263 O LEU A 410 -37.945 -17.141 38.373 1.00 94.06 O +ATOM 3264 CG LEU A 410 -36.833 -16.467 34.952 1.00 94.06 C +ATOM 3265 CD1 LEU A 410 -37.810 -15.346 35.293 1.00 94.06 C +ATOM 3266 CD2 LEU A 410 -36.330 -16.189 33.536 1.00 94.06 C +ATOM 3267 N SER A 411 -36.437 -15.573 38.899 1.00 93.38 N +ATOM 3268 CA SER A 411 -37.307 -14.841 39.825 1.00 93.38 C +ATOM 3269 C SER A 411 -37.560 -13.410 39.349 1.00 93.38 C +ATOM 3270 CB SER A 411 -36.764 -14.900 41.258 1.00 93.38 C +ATOM 3271 O SER A 411 -36.817 -12.854 38.539 1.00 93.38 O +ATOM 3272 OG SER A 411 -35.539 -14.212 41.397 1.00 93.38 O +ATOM 3273 N VAL A 412 -38.649 -12.809 39.827 1.00 93.62 N +ATOM 3274 CA VAL A 412 -39.016 -11.417 39.541 1.00 93.62 C +ATOM 3275 C VAL A 412 -39.580 -10.745 40.792 1.00 93.62 C +ATOM 3276 CB VAL A 412 -39.963 -11.334 38.325 1.00 93.62 C +ATOM 3277 O VAL A 412 -40.395 -11.315 41.519 1.00 93.62 O +ATOM 3278 CG1 VAL A 412 -41.288 -12.074 38.536 1.00 93.62 C +ATOM 3279 CG2 VAL A 412 -40.263 -9.883 37.926 1.00 93.62 C +ATOM 3280 N SER A 413 -39.157 -9.507 41.051 1.00 92.38 N +ATOM 3281 CA SER A 413 -39.635 -8.723 42.193 1.00 92.38 C +ATOM 3282 C SER A 413 -41.104 -8.325 42.028 1.00 92.38 C +ATOM 3283 CB SER A 413 -38.776 -7.464 42.337 1.00 92.38 C +ATOM 3284 O SER A 413 -41.501 -7.814 40.982 1.00 92.38 O +ATOM 3285 OG SER A 413 -39.245 -6.632 43.387 1.00 92.38 O +ATOM 3286 N ARG A 414 -41.907 -8.412 43.096 1.00 92.50 N +ATOM 3287 CA ARG A 414 -43.280 -7.856 43.148 1.00 92.50 C +ATOM 3288 C ARG A 414 -43.354 -6.344 42.950 1.00 92.50 C +ATOM 3289 CB ARG A 414 -43.956 -8.226 44.477 1.00 92.50 C +ATOM 3290 O ARG A 414 -44.444 -5.810 42.731 1.00 92.50 O +ATOM 3291 CG ARG A 414 -44.319 -9.704 44.450 1.00 92.50 C +ATOM 3292 CD ARG A 414 -45.284 -10.102 45.561 1.00 92.50 C +ATOM 3293 NE ARG A 414 -45.269 -11.562 45.713 1.00 92.50 N +ATOM 3294 NH1 ARG A 414 -46.662 -11.765 47.520 1.00 92.50 N +ATOM 3295 NH2 ARG A 414 -45.711 -13.577 46.585 1.00 92.50 N +ATOM 3296 CZ ARG A 414 -45.889 -12.291 46.608 1.00 92.50 C +ATOM 3297 N ARG A 415 -42.217 -5.653 43.050 1.00 92.25 N +ATOM 3298 CA ARG A 415 -42.092 -4.217 42.782 1.00 92.25 C +ATOM 3299 C ARG A 415 -41.755 -3.905 41.319 1.00 92.25 C +ATOM 3300 CB ARG A 415 -41.066 -3.602 43.743 1.00 92.25 C +ATOM 3301 O ARG A 415 -41.870 -2.743 40.945 1.00 92.25 O +ATOM 3302 CG ARG A 415 -41.458 -3.733 45.224 1.00 92.25 C +ATOM 3303 CD ARG A 415 -40.424 -3.076 46.149 1.00 92.25 C +ATOM 3304 NE ARG A 415 -40.277 -1.630 45.880 1.00 92.25 N +ATOM 3305 NH1 ARG A 415 -38.577 -1.189 47.361 1.00 92.25 N +ATOM 3306 NH2 ARG A 415 -39.326 0.427 46.016 1.00 92.25 N +ATOM 3307 CZ ARG A 415 -39.398 -0.808 46.420 1.00 92.25 C +ATOM 3308 N ALA A 416 -41.387 -4.899 40.504 1.00 93.38 N +ATOM 3309 CA ALA A 416 -41.012 -4.698 39.107 1.00 93.38 C +ATOM 3310 C ALA A 416 -42.114 -3.981 38.311 1.00 93.38 C +ATOM 3311 CB ALA A 416 -40.663 -6.043 38.457 1.00 93.38 C +ATOM 3312 O ALA A 416 -43.314 -4.254 38.464 1.00 93.38 O +ATOM 3313 N ARG A 417 -41.701 -3.058 37.443 1.00 93.50 N +ATOM 3314 CA ARG A 417 -42.600 -2.272 36.592 1.00 93.50 C +ATOM 3315 C ARG A 417 -42.735 -2.906 35.209 1.00 93.50 C +ATOM 3316 CB ARG A 417 -42.123 -0.805 36.585 1.00 93.50 C +ATOM 3317 O ARG A 417 -42.027 -3.843 34.851 1.00 93.50 O +ATOM 3318 CG ARG A 417 -42.303 -0.140 37.967 1.00 93.50 C +ATOM 3319 CD ARG A 417 -43.770 0.177 38.318 1.00 93.50 C +ATOM 3320 NE ARG A 417 -44.256 1.367 37.581 1.00 93.50 N +ATOM 3321 NH1 ARG A 417 -43.583 2.895 39.135 1.00 93.50 N +ATOM 3322 NH2 ARG A 417 -44.128 3.611 37.118 1.00 93.50 N +ATOM 3323 CZ ARG A 417 -44.005 2.615 37.947 1.00 93.50 C +ATOM 3324 N ARG A 418 -43.715 -2.432 34.439 1.00 95.44 N +ATOM 3325 CA ARG A 418 -43.947 -2.894 33.065 1.00 95.44 C +ATOM 3326 C ARG A 418 -42.707 -2.635 32.194 1.00 95.44 C +ATOM 3327 CB ARG A 418 -45.220 -2.228 32.528 1.00 95.44 C +ATOM 3328 O ARG A 418 -42.003 -1.653 32.417 1.00 95.44 O +ATOM 3329 CG ARG A 418 -45.704 -2.851 31.216 1.00 95.44 C +ATOM 3330 CD ARG A 418 -46.992 -2.165 30.755 1.00 95.44 C +ATOM 3331 NE ARG A 418 -47.641 -2.958 29.702 1.00 95.44 N +ATOM 3332 NH1 ARG A 418 -48.336 -1.255 28.314 1.00 95.44 N +ATOM 3333 NH2 ARG A 418 -48.601 -3.401 27.715 1.00 95.44 N +ATOM 3334 CZ ARG A 418 -48.190 -2.526 28.586 1.00 95.44 C +ATOM 3335 N PHE A 419 -42.463 -3.532 31.243 1.00 96.19 N +ATOM 3336 CA PHE A 419 -41.282 -3.617 30.376 1.00 96.19 C +ATOM 3337 C PHE A 419 -39.942 -3.872 31.082 1.00 96.19 C +ATOM 3338 CB PHE A 419 -41.239 -2.449 29.387 1.00 96.19 C +ATOM 3339 O PHE A 419 -38.908 -3.857 30.427 1.00 96.19 O +ATOM 3340 CG PHE A 419 -42.508 -2.269 28.578 1.00 96.19 C +ATOM 3341 CD1 PHE A 419 -42.842 -3.195 27.573 1.00 96.19 C +ATOM 3342 CD2 PHE A 419 -43.320 -1.140 28.786 1.00 96.19 C +ATOM 3343 CE1 PHE A 419 -43.982 -2.988 26.776 1.00 96.19 C +ATOM 3344 CE2 PHE A 419 -44.453 -0.923 27.982 1.00 96.19 C +ATOM 3345 CZ PHE A 419 -44.782 -1.849 26.975 1.00 96.19 C +ATOM 3346 N ALA A 420 -39.933 -4.181 32.383 1.00 95.44 N +ATOM 3347 CA ALA A 420 -38.708 -4.619 33.042 1.00 95.44 C +ATOM 3348 C ALA A 420 -38.212 -5.949 32.465 1.00 95.44 C +ATOM 3349 CB ALA A 420 -38.950 -4.716 34.547 1.00 95.44 C +ATOM 3350 O ALA A 420 -38.965 -6.930 32.459 1.00 95.44 O +ATOM 3351 N GLN A 421 -36.961 -5.969 31.997 1.00 95.31 N +ATOM 3352 CA GLN A 421 -36.284 -7.175 31.523 1.00 95.31 C +ATOM 3353 C GLN A 421 -35.932 -8.096 32.700 1.00 95.31 C +ATOM 3354 CB GLN A 421 -35.014 -6.826 30.730 1.00 95.31 C +ATOM 3355 O GLN A 421 -35.578 -7.621 33.780 1.00 95.31 O +ATOM 3356 CG GLN A 421 -35.240 -5.863 29.549 1.00 95.31 C +ATOM 3357 CD GLN A 421 -34.081 -5.861 28.549 1.00 95.31 C +ATOM 3358 NE2 GLN A 421 -34.017 -4.886 27.674 1.00 95.31 N +ATOM 3359 OE1 GLN A 421 -33.271 -6.777 28.517 1.00 95.31 O +ATOM 3360 N ILE A 422 -36.036 -9.413 32.498 1.00 91.75 N +ATOM 3361 CA ILE A 422 -35.825 -10.415 33.562 1.00 91.75 C +ATOM 3362 C ILE A 422 -34.780 -11.470 33.169 1.00 91.75 C +ATOM 3363 CB ILE A 422 -37.157 -11.095 33.975 1.00 91.75 C +ATOM 3364 O ILE A 422 -34.046 -11.963 34.020 1.00 91.75 O +ATOM 3365 CG1 ILE A 422 -38.387 -10.155 33.964 1.00 91.75 C +ATOM 3366 CG2 ILE A 422 -36.986 -11.692 35.385 1.00 91.75 C +ATOM 3367 CD1 ILE A 422 -39.711 -10.887 34.192 1.00 91.75 C +ATOM 3368 N GLY A 423 -34.689 -11.825 31.885 1.00 91.88 N +ATOM 3369 CA GLY A 423 -33.727 -12.814 31.397 1.00 91.88 C +ATOM 3370 C GLY A 423 -33.823 -13.053 29.891 1.00 91.88 C +ATOM 3371 O GLY A 423 -34.758 -12.583 29.240 1.00 91.88 O +ATOM 3372 N LYS A 424 -32.860 -13.802 29.343 1.00 93.00 N +ATOM 3373 CA LYS A 424 -32.816 -14.209 27.930 1.00 93.00 C +ATOM 3374 C LYS A 424 -33.118 -15.708 27.772 1.00 93.00 C +ATOM 3375 CB LYS A 424 -31.469 -13.823 27.275 1.00 93.00 C +ATOM 3376 O LYS A 424 -32.732 -16.522 28.607 1.00 93.00 O +ATOM 3377 CG LYS A 424 -31.236 -12.302 27.121 1.00 93.00 C +ATOM 3378 CD LYS A 424 -29.973 -11.989 26.282 1.00 93.00 C +ATOM 3379 CE LYS A 424 -29.794 -10.482 25.995 1.00 93.00 C +ATOM 3380 NZ LYS A 424 -28.656 -10.184 25.068 1.00 93.00 N +ATOM 3381 N VAL A 425 -33.769 -16.062 26.669 1.00 94.19 N +ATOM 3382 CA VAL A 425 -33.970 -17.421 26.150 1.00 94.19 C +ATOM 3383 C VAL A 425 -33.146 -17.549 24.871 1.00 94.19 C +ATOM 3384 CB VAL A 425 -35.458 -17.689 25.847 1.00 94.19 C +ATOM 3385 O VAL A 425 -33.187 -16.660 24.025 1.00 94.19 O +ATOM 3386 CG1 VAL A 425 -35.673 -19.084 25.244 1.00 94.19 C +ATOM 3387 CG2 VAL A 425 -36.316 -17.570 27.114 1.00 94.19 C +ATOM 3388 N CYS A 426 -32.437 -18.659 24.699 1.00 94.50 N +ATOM 3389 CA CYS A 426 -31.700 -18.955 23.473 1.00 94.50 C +ATOM 3390 C CYS A 426 -31.807 -20.436 23.126 1.00 94.50 C +ATOM 3391 CB CYS A 426 -30.221 -18.560 23.614 1.00 94.50 C +ATOM 3392 O CYS A 426 -31.733 -21.293 24.008 1.00 94.50 O +ATOM 3393 SG CYS A 426 -29.720 -17.158 22.588 1.00 94.50 S +ATOM 3394 N VAL A 427 -31.904 -20.718 21.829 1.00 92.69 N +ATOM 3395 CA VAL A 427 -31.474 -21.999 21.262 1.00 92.69 C +ATOM 3396 C VAL A 427 -29.972 -22.178 21.514 1.00 92.69 C +ATOM 3397 CB VAL A 427 -31.809 -22.043 19.758 1.00 92.69 C +ATOM 3398 O VAL A 427 -29.207 -21.211 21.497 1.00 92.69 O +ATOM 3399 CG1 VAL A 427 -31.254 -23.270 19.037 1.00 92.69 C +ATOM 3400 CG2 VAL A 427 -33.326 -22.074 19.535 1.00 92.69 C +ATOM 3401 N GLU A 428 -29.541 -23.414 21.743 1.00 88.62 N +ATOM 3402 CA GLU A 428 -28.125 -23.768 21.846 1.00 88.62 C +ATOM 3403 C GLU A 428 -27.345 -23.293 20.601 1.00 88.62 C +ATOM 3404 CB GLU A 428 -28.038 -25.286 22.053 1.00 88.62 C +ATOM 3405 O GLU A 428 -27.764 -23.521 19.467 1.00 88.62 O +ATOM 3406 CG GLU A 428 -26.648 -25.756 22.496 1.00 88.62 C +ATOM 3407 CD GLU A 428 -26.598 -27.269 22.768 1.00 88.62 C +ATOM 3408 OE1 GLU A 428 -25.551 -27.717 23.281 1.00 88.62 O +ATOM 3409 OE2 GLU A 428 -27.597 -27.966 22.464 1.00 88.62 O +ATOM 3410 N ASN A 429 -26.214 -22.608 20.807 1.00 89.06 N +ATOM 3411 CA ASN A 429 -25.410 -21.957 19.759 1.00 89.06 C +ATOM 3412 C ASN A 429 -26.079 -20.781 19.007 1.00 89.06 C +ATOM 3413 CB ASN A 429 -24.786 -23.008 18.816 1.00 89.06 C +ATOM 3414 O ASN A 429 -25.617 -20.429 17.923 1.00 89.06 O +ATOM 3415 CG ASN A 429 -24.062 -24.097 19.578 1.00 89.06 C +ATOM 3416 ND2 ASN A 429 -24.447 -25.340 19.410 1.00 89.06 N +ATOM 3417 OD1 ASN A 429 -23.170 -23.831 20.363 1.00 89.06 O +ATOM 3418 N CYS A 430 -27.093 -20.113 19.577 1.00 87.50 N +ATOM 3419 CA CYS A 430 -27.746 -18.941 18.962 1.00 87.50 C +ATOM 3420 C CYS A 430 -26.765 -17.858 18.448 1.00 87.50 C +ATOM 3421 CB CYS A 430 -28.761 -18.355 19.956 1.00 87.50 C +ATOM 3422 O CYS A 430 -26.914 -17.375 17.329 1.00 87.50 O +ATOM 3423 SG CYS A 430 -28.089 -17.819 21.557 1.00 87.50 S +ATOM 3424 N GLN A 431 -25.693 -17.559 19.192 1.00 86.62 N +ATOM 3425 CA GLN A 431 -24.655 -16.590 18.795 1.00 86.62 C +ATOM 3426 C GLN A 431 -23.811 -17.013 17.572 1.00 86.62 C +ATOM 3427 CB GLN A 431 -23.722 -16.336 19.990 1.00 86.62 C +ATOM 3428 O GLN A 431 -23.114 -16.185 16.990 1.00 86.62 O +ATOM 3429 CG GLN A 431 -24.418 -15.581 21.132 1.00 86.62 C +ATOM 3430 CD GLN A 431 -23.477 -15.291 22.298 1.00 86.62 C +ATOM 3431 NE2 GLN A 431 -23.713 -14.231 23.037 1.00 86.62 N +ATOM 3432 OE1 GLN A 431 -22.531 -16.009 22.579 1.00 86.62 O +ATOM 3433 N ALA A 432 -23.844 -18.288 17.169 1.00 90.69 N +ATOM 3434 CA ALA A 432 -23.139 -18.780 15.983 1.00 90.69 C +ATOM 3435 C ALA A 432 -23.985 -18.683 14.699 1.00 90.69 C +ATOM 3436 CB ALA A 432 -22.686 -20.221 16.251 1.00 90.69 C +ATOM 3437 O ALA A 432 -23.450 -18.832 13.594 1.00 90.69 O +ATOM 3438 N PHE A 433 -25.300 -18.474 14.822 1.00 91.44 N +ATOM 3439 CA PHE A 433 -26.223 -18.498 13.693 1.00 91.44 C +ATOM 3440 C PHE A 433 -26.039 -17.287 12.774 1.00 91.44 C +ATOM 3441 CB PHE A 433 -27.673 -18.599 14.194 1.00 91.44 C +ATOM 3442 O PHE A 433 -25.986 -16.138 13.202 1.00 91.44 O +ATOM 3443 CG PHE A 433 -28.085 -19.873 14.924 1.00 91.44 C +ATOM 3444 CD1 PHE A 433 -27.325 -21.062 14.861 1.00 91.44 C +ATOM 3445 CD2 PHE A 433 -29.270 -19.861 15.684 1.00 91.44 C +ATOM 3446 CE1 PHE A 433 -27.736 -22.205 15.571 1.00 91.44 C +ATOM 3447 CE2 PHE A 433 -29.684 -21.007 16.387 1.00 91.44 C +ATOM 3448 CZ PHE A 433 -28.912 -22.179 16.334 1.00 91.44 C +ATOM 3449 N SER A 434 -25.999 -17.538 11.464 1.00 91.12 N +ATOM 3450 CA SER A 434 -26.055 -16.476 10.457 1.00 91.12 C +ATOM 3451 C SER A 434 -26.893 -16.930 9.268 1.00 91.12 C +ATOM 3452 CB SER A 434 -24.641 -16.080 10.029 1.00 91.12 C +ATOM 3453 O SER A 434 -26.635 -17.993 8.704 1.00 91.12 O +ATOM 3454 OG SER A 434 -24.668 -14.788 9.456 1.00 91.12 O +ATOM 3455 N GLY A 435 -27.910 -16.145 8.902 1.00 87.75 N +ATOM 3456 CA GLY A 435 -28.902 -16.517 7.882 1.00 87.75 C +ATOM 3457 C GLY A 435 -30.035 -17.432 8.379 1.00 87.75 C +ATOM 3458 O GLY A 435 -30.784 -17.958 7.557 1.00 87.75 O +ATOM 3459 N ILE A 436 -30.172 -17.622 9.699 1.00 90.62 N +ATOM 3460 CA ILE A 436 -31.205 -18.452 10.345 1.00 90.62 C +ATOM 3461 C ILE A 436 -32.101 -17.545 11.204 1.00 90.62 C +ATOM 3462 CB ILE A 436 -30.560 -19.573 11.202 1.00 90.62 C +ATOM 3463 O ILE A 436 -31.600 -16.840 12.075 1.00 90.62 O +ATOM 3464 CG1 ILE A 436 -29.569 -20.448 10.392 1.00 90.62 C +ATOM 3465 CG2 ILE A 436 -31.660 -20.448 11.835 1.00 90.62 C +ATOM 3466 CD1 ILE A 436 -28.707 -21.380 11.257 1.00 90.62 C +ATOM 3467 N ASN A 437 -33.422 -17.587 10.991 1.00 89.62 N +ATOM 3468 CA ASN A 437 -34.386 -16.727 11.688 1.00 89.62 C +ATOM 3469 C ASN A 437 -35.209 -17.533 12.707 1.00 89.62 C +ATOM 3470 CB ASN A 437 -35.307 -16.038 10.663 1.00 89.62 C +ATOM 3471 O ASN A 437 -36.235 -18.123 12.358 1.00 89.62 O +ATOM 3472 CG ASN A 437 -34.662 -14.953 9.822 1.00 89.62 C +ATOM 3473 ND2 ASN A 437 -35.436 -14.357 8.948 1.00 89.62 N +ATOM 3474 OD1 ASN A 437 -33.497 -14.619 9.921 1.00 89.62 O +ATOM 3475 N VAL A 438 -34.787 -17.524 13.974 1.00 92.00 N +ATOM 3476 CA VAL A 438 -35.523 -18.143 15.091 1.00 92.00 C +ATOM 3477 C VAL A 438 -36.391 -17.096 15.791 1.00 92.00 C +ATOM 3478 CB VAL A 438 -34.568 -18.817 16.097 1.00 92.00 C +ATOM 3479 O VAL A 438 -35.899 -16.030 16.139 1.00 92.00 O +ATOM 3480 CG1 VAL A 438 -35.353 -19.578 17.175 1.00 92.00 C +ATOM 3481 CG2 VAL A 438 -33.634 -19.820 15.405 1.00 92.00 C +ATOM 3482 N GLN A 439 -37.671 -17.398 16.019 1.00 92.94 N +ATOM 3483 CA GLN A 439 -38.621 -16.564 16.769 1.00 92.94 C +ATOM 3484 C GLN A 439 -39.064 -17.273 18.052 1.00 92.94 C +ATOM 3485 CB GLN A 439 -39.861 -16.259 15.910 1.00 92.94 C +ATOM 3486 O GLN A 439 -39.369 -18.467 18.007 1.00 92.94 O +ATOM 3487 CG GLN A 439 -39.554 -15.497 14.612 1.00 92.94 C +ATOM 3488 CD GLN A 439 -40.797 -15.254 13.754 1.00 92.94 C +ATOM 3489 NE2 GLN A 439 -40.623 -14.733 12.559 1.00 92.94 N +ATOM 3490 OE1 GLN A 439 -41.936 -15.518 14.120 1.00 92.94 O +ATOM 3491 N TYR A 440 -39.180 -16.545 19.166 1.00 94.88 N +ATOM 3492 CA TYR A 440 -39.624 -17.086 20.460 1.00 94.88 C +ATOM 3493 C TYR A 440 -41.035 -16.612 20.833 1.00 94.88 C +ATOM 3494 CB TYR A 440 -38.614 -16.751 21.567 1.00 94.88 C +ATOM 3495 O TYR A 440 -41.405 -15.464 20.584 1.00 94.88 O +ATOM 3496 CG TYR A 440 -37.204 -17.225 21.273 1.00 94.88 C +ATOM 3497 CD1 TYR A 440 -36.750 -18.486 21.711 1.00 94.88 C +ATOM 3498 CD2 TYR A 440 -36.351 -16.402 20.518 1.00 94.88 C +ATOM 3499 CE1 TYR A 440 -35.440 -18.912 21.401 1.00 94.88 C +ATOM 3500 CE2 TYR A 440 -35.059 -16.833 20.185 1.00 94.88 C +ATOM 3501 OH TYR A 440 -33.325 -18.485 20.327 1.00 94.88 O +ATOM 3502 CZ TYR A 440 -34.588 -18.084 20.635 1.00 94.88 C +ATOM 3503 N LYS A 441 -41.824 -17.496 21.454 1.00 93.81 N +ATOM 3504 CA LYS A 441 -43.195 -17.249 21.938 1.00 93.81 C +ATOM 3505 C LYS A 441 -43.385 -17.833 23.341 1.00 93.81 C +ATOM 3506 CB LYS A 441 -44.212 -17.850 20.948 1.00 93.81 C +ATOM 3507 O LYS A 441 -42.710 -18.790 23.711 1.00 93.81 O +ATOM 3508 CG LYS A 441 -44.198 -17.118 19.595 1.00 93.81 C +ATOM 3509 CD LYS A 441 -45.048 -17.823 18.533 1.00 93.81 C +ATOM 3510 CE LYS A 441 -44.849 -17.082 17.204 1.00 93.81 C +ATOM 3511 NZ LYS A 441 -45.227 -17.912 16.035 1.00 93.81 N +ATOM 3512 N LEU A 442 -44.329 -17.279 24.105 1.00 93.50 N +ATOM 3513 CA LEU A 442 -44.748 -17.791 25.415 1.00 93.50 C +ATOM 3514 C LEU A 442 -46.204 -18.260 25.374 1.00 93.50 C +ATOM 3515 CB LEU A 442 -44.595 -16.704 26.500 1.00 93.50 C +ATOM 3516 O LEU A 442 -47.081 -17.536 24.900 1.00 93.50 O +ATOM 3517 CG LEU A 442 -43.156 -16.327 26.885 1.00 93.50 C +ATOM 3518 CD1 LEU A 442 -43.191 -15.160 27.871 1.00 93.50 C +ATOM 3519 CD2 LEU A 442 -42.415 -17.485 27.543 1.00 93.50 C +ATOM 3520 N HIS A 443 -46.472 -19.424 25.962 1.00 91.75 N +ATOM 3521 CA HIS A 443 -47.820 -19.902 26.262 1.00 91.75 C +ATOM 3522 C HIS A 443 -47.975 -20.084 27.774 1.00 91.75 C +ATOM 3523 CB HIS A 443 -48.095 -21.199 25.491 1.00 91.75 C +ATOM 3524 O HIS A 443 -47.200 -20.807 28.397 1.00 91.75 O +ATOM 3525 CG HIS A 443 -48.058 -21.013 23.995 1.00 91.75 C +ATOM 3526 CD2 HIS A 443 -47.191 -21.607 23.118 1.00 91.75 C +ATOM 3527 ND1 HIS A 443 -48.871 -20.182 23.258 1.00 91.75 N +ATOM 3528 CE1 HIS A 443 -48.503 -20.277 21.970 1.00 91.75 C +ATOM 3529 NE2 HIS A 443 -47.480 -21.131 21.833 1.00 91.75 N +ATOM 3530 N SER A 444 -48.958 -19.423 28.387 1.00 87.31 N +ATOM 3531 CA SER A 444 -49.244 -19.572 29.817 1.00 87.31 C +ATOM 3532 C SER A 444 -50.050 -20.845 30.083 1.00 87.31 C +ATOM 3533 CB SER A 444 -49.961 -18.327 30.358 1.00 87.31 C +ATOM 3534 O SER A 444 -51.054 -21.108 29.424 1.00 87.31 O +ATOM 3535 OG SER A 444 -51.090 -17.986 29.574 1.00 87.31 O +ATOM 3536 N SER A 445 -49.651 -21.622 31.095 1.00 81.44 N +ATOM 3537 CA SER A 445 -50.395 -22.833 31.490 1.00 81.44 C +ATOM 3538 C SER A 445 -51.741 -22.514 32.157 1.00 81.44 C +ATOM 3539 CB SER A 445 -49.562 -23.692 32.446 1.00 81.44 C +ATOM 3540 O SER A 445 -52.626 -23.363 32.220 1.00 81.44 O +ATOM 3541 OG SER A 445 -48.316 -24.025 31.873 1.00 81.44 O +ATOM 3542 N GLY A 446 -51.903 -21.289 32.670 1.00 73.94 N +ATOM 3543 CA GLY A 446 -53.132 -20.799 33.287 1.00 73.94 C +ATOM 3544 C GLY A 446 -53.540 -19.442 32.718 1.00 73.94 C +ATOM 3545 O GLY A 446 -52.811 -18.460 32.850 1.00 73.94 O +ATOM 3546 N ALA A 447 -54.746 -19.364 32.151 1.00 68.00 N +ATOM 3547 CA ALA A 447 -55.244 -18.189 31.427 1.00 68.00 C +ATOM 3548 C ALA A 447 -55.391 -16.894 32.265 1.00 68.00 C +ATOM 3549 CB ALA A 447 -56.583 -18.584 30.788 1.00 68.00 C +ATOM 3550 O ALA A 447 -55.628 -15.829 31.705 1.00 68.00 O +ATOM 3551 N ASN A 448 -55.272 -16.957 33.598 1.00 80.62 N +ATOM 3552 CA ASN A 448 -55.610 -15.853 34.513 1.00 80.62 C +ATOM 3553 C ASN A 448 -54.390 -15.123 35.131 1.00 80.62 C +ATOM 3554 CB ASN A 448 -56.593 -16.413 35.562 1.00 80.62 C +ATOM 3555 O ASN A 448 -54.562 -14.179 35.907 1.00 80.62 O +ATOM 3556 CG ASN A 448 -57.576 -15.390 36.115 1.00 80.62 C +ATOM 3557 ND2 ASN A 448 -58.516 -15.843 36.912 1.00 80.62 N +ATOM 3558 OD1 ASN A 448 -57.559 -14.201 35.845 1.00 80.62 O +ATOM 3559 N CYS A 449 -53.165 -15.550 34.799 1.00 85.56 N +ATOM 3560 CA CYS A 449 -51.901 -14.986 35.302 1.00 85.56 C +ATOM 3561 C CYS A 449 -50.908 -14.693 34.155 1.00 85.56 C +ATOM 3562 CB CYS A 449 -51.301 -15.908 36.380 1.00 85.56 C +ATOM 3563 O CYS A 449 -49.740 -15.071 34.215 1.00 85.56 O +ATOM 3564 SG CYS A 449 -52.239 -16.095 37.925 1.00 85.56 S +ATOM 3565 N SER A 450 -51.382 -14.048 33.081 1.00 85.44 N +ATOM 3566 CA SER A 450 -50.559 -13.649 31.927 1.00 85.44 C +ATOM 3567 C SER A 450 -49.698 -12.417 32.241 1.00 85.44 C +ATOM 3568 CB SER A 450 -51.450 -13.420 30.702 1.00 85.44 C +ATOM 3569 O SER A 450 -49.987 -11.306 31.803 1.00 85.44 O +ATOM 3570 OG SER A 450 -50.647 -13.154 29.574 1.00 85.44 O +ATOM 3571 N THR A 451 -48.650 -12.620 33.033 1.00 91.25 N +ATOM 3572 CA THR A 451 -47.790 -11.562 33.585 1.00 91.25 C +ATOM 3573 C THR A 451 -46.640 -11.155 32.659 1.00 91.25 C +ATOM 3574 CB THR A 451 -47.204 -12.044 34.920 1.00 91.25 C +ATOM 3575 O THR A 451 -46.253 -9.986 32.659 1.00 91.25 O +ATOM 3576 CG2 THR A 451 -46.531 -10.943 35.723 1.00 91.25 C +ATOM 3577 OG1 THR A 451 -48.209 -12.581 35.754 1.00 91.25 O +ATOM 3578 N LEU A 452 -46.076 -12.096 31.893 1.00 94.12 N +ATOM 3579 CA LEU A 452 -44.837 -11.913 31.121 1.00 94.12 C +ATOM 3580 C LEU A 452 -45.069 -11.893 29.606 1.00 94.12 C +ATOM 3581 CB LEU A 452 -43.813 -13.005 31.487 1.00 94.12 C +ATOM 3582 O LEU A 452 -46.046 -12.452 29.107 1.00 94.12 O +ATOM 3583 CG LEU A 452 -43.432 -13.084 32.974 1.00 94.12 C +ATOM 3584 CD1 LEU A 452 -42.305 -14.095 33.150 1.00 94.12 C +ATOM 3585 CD2 LEU A 452 -42.969 -11.740 33.534 1.00 94.12 C +ATOM 3586 N GLY A 453 -44.136 -11.274 28.884 1.00 93.94 N +ATOM 3587 CA GLY A 453 -43.999 -11.346 27.431 1.00 93.94 C +ATOM 3588 C GLY A 453 -42.586 -11.767 27.015 1.00 93.94 C +ATOM 3589 O GLY A 453 -41.668 -11.796 27.835 1.00 93.94 O +ATOM 3590 N VAL A 454 -42.422 -12.087 25.730 1.00 95.69 N +ATOM 3591 CA VAL A 454 -41.119 -12.305 25.086 1.00 95.69 C +ATOM 3592 C VAL A 454 -41.068 -11.532 23.770 1.00 95.69 C +ATOM 3593 CB VAL A 454 -40.806 -13.808 24.906 1.00 95.69 C +ATOM 3594 O VAL A 454 -42.051 -11.519 23.028 1.00 95.69 O +ATOM 3595 CG1 VAL A 454 -41.719 -14.521 23.900 1.00 95.69 C +ATOM 3596 CG2 VAL A 454 -39.350 -14.054 24.495 1.00 95.69 C +ATOM 3597 N VAL A 455 -39.936 -10.894 23.482 1.00 94.88 N +ATOM 3598 CA VAL A 455 -39.598 -10.342 22.157 1.00 94.88 C +ATOM 3599 C VAL A 455 -38.326 -11.003 21.642 1.00 94.88 C +ATOM 3600 CB VAL A 455 -39.442 -8.811 22.152 1.00 94.88 C +ATOM 3601 O VAL A 455 -37.521 -11.476 22.433 1.00 94.88 O +ATOM 3602 CG1 VAL A 455 -40.786 -8.102 22.333 1.00 94.88 C +ATOM 3603 CG2 VAL A 455 -38.449 -8.300 23.198 1.00 94.88 C +ATOM 3604 N THR A 456 -38.142 -11.074 20.325 1.00 93.81 N +ATOM 3605 CA THR A 456 -36.958 -11.702 19.713 1.00 93.81 C +ATOM 3606 C THR A 456 -35.985 -10.631 19.224 1.00 93.81 C +ATOM 3607 CB THR A 456 -37.386 -12.619 18.560 1.00 93.81 C +ATOM 3608 O THR A 456 -36.366 -9.819 18.382 1.00 93.81 O +ATOM 3609 CG2 THR A 456 -36.215 -13.325 17.888 1.00 93.81 C +ATOM 3610 OG1 THR A 456 -38.275 -13.613 19.045 1.00 93.81 O +ATOM 3611 N SER A 457 -34.740 -10.653 19.705 1.00 91.31 N +ATOM 3612 CA SER A 457 -33.623 -9.919 19.102 1.00 91.31 C +ATOM 3613 C SER A 457 -33.066 -10.711 17.921 1.00 91.31 C +ATOM 3614 CB SER A 457 -32.512 -9.633 20.118 1.00 91.31 C +ATOM 3615 O SER A 457 -32.713 -11.883 18.058 1.00 91.31 O +ATOM 3616 OG SER A 457 -31.457 -8.979 19.435 1.00 91.31 O +ATOM 3617 N ALA A 458 -32.989 -10.069 16.755 1.00 85.31 N +ATOM 3618 CA ALA A 458 -32.453 -10.673 15.536 1.00 85.31 C +ATOM 3619 C ALA A 458 -30.912 -10.690 15.487 1.00 85.31 C +ATOM 3620 CB ALA A 458 -33.049 -9.929 14.334 1.00 85.31 C +ATOM 3621 O ALA A 458 -30.354 -11.392 14.651 1.00 85.31 O +ATOM 3622 N GLU A 459 -30.241 -9.936 16.363 1.00 83.75 N +ATOM 3623 CA GLU A 459 -28.777 -9.850 16.430 1.00 83.75 C +ATOM 3624 C GLU A 459 -28.181 -11.088 17.114 1.00 83.75 C +ATOM 3625 CB GLU A 459 -28.417 -8.531 17.128 1.00 83.75 C +ATOM 3626 O GLU A 459 -27.427 -11.833 16.498 1.00 83.75 O +ATOM 3627 CG GLU A 459 -26.905 -8.271 17.209 1.00 83.75 C +ATOM 3628 CD GLU A 459 -26.570 -6.830 17.630 1.00 83.75 C +ATOM 3629 OE1 GLU A 459 -25.363 -6.508 17.654 1.00 83.75 O +ATOM 3630 OE2 GLU A 459 -27.516 -6.037 17.839 1.00 83.75 O +ATOM 3631 N ASP A 460 -28.625 -11.377 18.341 1.00 85.25 N +ATOM 3632 CA ASP A 460 -28.269 -12.597 19.085 1.00 85.25 C +ATOM 3633 C ASP A 460 -29.046 -13.849 18.609 1.00 85.25 C +ATOM 3634 CB ASP A 460 -28.614 -12.386 20.572 1.00 85.25 C +ATOM 3635 O ASP A 460 -28.756 -14.968 19.032 1.00 85.25 O +ATOM 3636 CG ASP A 460 -27.645 -11.568 21.429 1.00 85.25 C +ATOM 3637 OD1 ASP A 460 -26.439 -11.540 21.118 1.00 85.25 O +ATOM 3638 OD2 ASP A 460 -28.134 -11.105 22.497 1.00 85.25 O +ATOM 3639 N THR A 461 -30.114 -13.672 17.820 1.00 90.00 N +ATOM 3640 CA THR A 461 -31.198 -14.662 17.617 1.00 90.00 C +ATOM 3641 C THR A 461 -31.777 -15.207 18.939 1.00 90.00 C +ATOM 3642 CB THR A 461 -30.853 -15.757 16.589 1.00 90.00 C +ATOM 3643 O THR A 461 -32.086 -16.395 19.080 1.00 90.00 O +ATOM 3644 CG2 THR A 461 -30.400 -15.181 15.248 1.00 90.00 C +ATOM 3645 OG1 THR A 461 -29.856 -16.639 17.034 1.00 90.00 O +ATOM 3646 N SER A 462 -31.942 -14.319 19.929 1.00 93.38 N +ATOM 3647 CA SER A 462 -32.376 -14.624 21.303 1.00 93.38 C +ATOM 3648 C SER A 462 -33.736 -14.007 21.653 1.00 93.38 C +ATOM 3649 CB SER A 462 -31.299 -14.198 22.312 1.00 93.38 C +ATOM 3650 O SER A 462 -34.181 -13.042 21.033 1.00 93.38 O +ATOM 3651 OG SER A 462 -31.245 -12.795 22.494 1.00 93.38 O +ATOM 3652 N GLY A 463 -34.428 -14.568 22.645 1.00 93.62 N +ATOM 3653 CA GLY A 463 -35.688 -14.051 23.181 1.00 93.62 C +ATOM 3654 C GLY A 463 -35.486 -13.318 24.508 1.00 93.62 C +ATOM 3655 O GLY A 463 -34.989 -13.919 25.453 1.00 93.62 O +ATOM 3656 N ILE A 464 -35.902 -12.058 24.626 1.00 95.50 N +ATOM 3657 CA ILE A 464 -35.818 -11.268 25.866 1.00 95.50 C +ATOM 3658 C ILE A 464 -37.161 -11.333 26.603 1.00 95.50 C +ATOM 3659 CB ILE A 464 -35.373 -9.813 25.585 1.00 95.50 C +ATOM 3660 O ILE A 464 -38.206 -11.003 26.034 1.00 95.50 O +ATOM 3661 CG1 ILE A 464 -34.074 -9.776 24.741 1.00 95.50 C +ATOM 3662 CG2 ILE A 464 -35.184 -9.073 26.922 1.00 95.50 C +ATOM 3663 CD1 ILE A 464 -33.596 -8.368 24.368 1.00 95.50 C +ATOM 3664 N LEU A 465 -37.140 -11.771 27.865 1.00 96.06 N +ATOM 3665 CA LEU A 465 -38.310 -11.880 28.741 1.00 96.06 C +ATOM 3666 C LEU A 465 -38.547 -10.572 29.501 1.00 96.06 C +ATOM 3667 CB LEU A 465 -38.116 -13.038 29.741 1.00 96.06 C +ATOM 3668 O LEU A 465 -37.635 -10.070 30.161 1.00 96.06 O +ATOM 3669 CG LEU A 465 -37.976 -14.433 29.110 1.00 96.06 C +ATOM 3670 CD1 LEU A 465 -37.615 -15.447 30.193 1.00 96.06 C +ATOM 3671 CD2 LEU A 465 -39.280 -14.899 28.463 1.00 96.06 C +ATOM 3672 N PHE A 466 -39.783 -10.065 29.472 1.00 95.69 N +ATOM 3673 CA PHE A 466 -40.156 -8.803 30.120 1.00 95.69 C +ATOM 3674 C PHE A 466 -41.511 -8.862 30.847 1.00 95.69 C +ATOM 3675 CB PHE A 466 -40.119 -7.659 29.092 1.00 95.69 C +ATOM 3676 O PHE A 466 -42.394 -9.655 30.506 1.00 95.69 O +ATOM 3677 CG PHE A 466 -41.228 -7.710 28.055 1.00 95.69 C +ATOM 3678 CD1 PHE A 466 -41.091 -8.519 26.911 1.00 95.69 C +ATOM 3679 CD2 PHE A 466 -42.410 -6.965 28.241 1.00 95.69 C +ATOM 3680 CE1 PHE A 466 -42.131 -8.585 25.968 1.00 95.69 C +ATOM 3681 CE2 PHE A 466 -43.441 -7.015 27.286 1.00 95.69 C +ATOM 3682 CZ PHE A 466 -43.300 -7.826 26.146 1.00 95.69 C +ATOM 3683 N VAL A 467 -41.710 -7.991 31.842 1.00 95.50 N +ATOM 3684 CA VAL A 467 -42.993 -7.841 32.559 1.00 95.50 C +ATOM 3685 C VAL A 467 -44.020 -7.107 31.686 1.00 95.50 C +ATOM 3686 CB VAL A 467 -42.801 -7.087 33.893 1.00 95.50 C +ATOM 3687 O VAL A 467 -43.846 -5.930 31.384 1.00 95.50 O +ATOM 3688 CG1 VAL A 467 -44.126 -6.927 34.659 1.00 95.50 C +ATOM 3689 CG2 VAL A 467 -41.824 -7.806 34.829 1.00 95.50 C +ATOM 3690 N ASN A 468 -45.136 -7.749 31.330 1.00 93.81 N +ATOM 3691 CA ASN A 468 -46.202 -7.126 30.532 1.00 93.81 C +ATOM 3692 C ASN A 468 -47.381 -6.614 31.385 1.00 93.81 C +ATOM 3693 CB ASN A 468 -46.646 -8.114 29.442 1.00 93.81 C +ATOM 3694 O ASN A 468 -47.875 -5.515 31.128 1.00 93.81 O +ATOM 3695 CG ASN A 468 -47.590 -7.502 28.411 1.00 93.81 C +ATOM 3696 ND2 ASN A 468 -48.245 -8.340 27.644 1.00 93.81 N +ATOM 3697 OD1 ASN A 468 -47.750 -6.295 28.258 1.00 93.81 O +ATOM 3698 N ASP A 469 -47.812 -7.359 32.415 1.00 92.19 N +ATOM 3699 CA ASP A 469 -48.920 -6.954 33.300 1.00 92.19 C +ATOM 3700 C ASP A 469 -48.532 -6.935 34.790 1.00 92.19 C +ATOM 3701 CB ASP A 469 -50.192 -7.790 33.054 1.00 92.19 C +ATOM 3702 O ASP A 469 -48.552 -7.945 35.499 1.00 92.19 O +ATOM 3703 CG ASP A 469 -51.380 -7.292 33.902 1.00 92.19 C +ATOM 3704 OD1 ASP A 469 -51.279 -6.189 34.495 1.00 92.19 O +ATOM 3705 OD2 ASP A 469 -52.383 -8.024 34.043 1.00 92.19 O +ATOM 3706 N THR A 470 -48.266 -5.733 35.303 1.00 90.62 N +ATOM 3707 CA THR A 470 -47.994 -5.491 36.726 1.00 90.62 C +ATOM 3708 C THR A 470 -49.210 -5.777 37.628 1.00 90.62 C +ATOM 3709 CB THR A 470 -47.509 -4.044 36.928 1.00 90.62 C +ATOM 3710 O THR A 470 -49.035 -6.077 38.811 1.00 90.62 O +ATOM 3711 CG2 THR A 470 -46.791 -3.836 38.257 1.00 90.62 C +ATOM 3712 OG1 THR A 470 -46.589 -3.668 35.927 1.00 90.62 O +ATOM 3713 N LYS A 471 -50.455 -5.738 37.120 1.00 90.44 N +ATOM 3714 CA LYS A 471 -51.648 -6.107 37.909 1.00 90.44 C +ATOM 3715 C LYS A 471 -51.716 -7.611 38.148 1.00 90.44 C +ATOM 3716 CB LYS A 471 -52.953 -5.649 37.238 1.00 90.44 C +ATOM 3717 O LYS A 471 -52.145 -8.011 39.228 1.00 90.44 O +ATOM 3718 CG LYS A 471 -53.087 -4.126 37.125 1.00 90.44 C +ATOM 3719 CD LYS A 471 -54.404 -3.763 36.423 1.00 90.44 C +ATOM 3720 CE LYS A 471 -54.555 -2.239 36.346 1.00 90.44 C +ATOM 3721 NZ LYS A 471 -55.746 -1.836 35.555 1.00 90.44 N +ATOM 3722 N ALA A 472 -51.300 -8.433 37.183 1.00 90.50 N +ATOM 3723 CA ALA A 472 -51.148 -9.873 37.376 1.00 90.50 C +ATOM 3724 C ALA A 472 -50.020 -10.177 38.377 1.00 90.50 C +ATOM 3725 CB ALA A 472 -50.932 -10.547 36.016 1.00 90.50 C +ATOM 3726 O ALA A 472 -50.254 -10.908 39.339 1.00 90.50 O +ATOM 3727 N LEU A 473 -48.859 -9.525 38.226 1.00 90.56 N +ATOM 3728 CA LEU A 473 -47.690 -9.666 39.112 1.00 90.56 C +ATOM 3729 C LEU A 473 -48.002 -9.381 40.596 1.00 90.56 C +ATOM 3730 CB LEU A 473 -46.601 -8.697 38.605 1.00 90.56 C +ATOM 3731 O LEU A 473 -47.492 -10.053 41.489 1.00 90.56 O +ATOM 3732 CG LEU A 473 -45.202 -8.926 39.201 1.00 90.56 C +ATOM 3733 CD1 LEU A 473 -44.553 -10.211 38.693 1.00 90.56 C +ATOM 3734 CD2 LEU A 473 -44.294 -7.767 38.800 1.00 90.56 C +ATOM 3735 N ARG A 474 -48.869 -8.399 40.878 1.00 89.00 N +ATOM 3736 CA ARG A 474 -49.263 -8.021 42.250 1.00 89.00 C +ATOM 3737 C ARG A 474 -50.265 -8.989 42.906 1.00 89.00 C +ATOM 3738 CB ARG A 474 -49.780 -6.567 42.253 1.00 89.00 C +ATOM 3739 O ARG A 474 -50.523 -8.860 44.103 1.00 89.00 O +ATOM 3740 CG ARG A 474 -48.663 -5.527 42.025 1.00 89.00 C +ATOM 3741 CD ARG A 474 -49.238 -4.107 41.853 1.00 89.00 C +ATOM 3742 NE ARG A 474 -48.194 -3.132 41.466 1.00 89.00 N +ATOM 3743 NH1 ARG A 474 -49.428 -1.192 41.571 1.00 89.00 N +ATOM 3744 NH2 ARG A 474 -47.286 -1.096 40.950 1.00 89.00 N +ATOM 3745 CZ ARG A 474 -48.311 -1.817 41.324 1.00 89.00 C +ATOM 3746 N ARG A 475 -50.862 -9.943 42.177 1.00 89.75 N +ATOM 3747 CA ARG A 475 -51.848 -10.886 42.746 1.00 89.75 C +ATOM 3748 C ARG A 475 -51.134 -12.003 43.517 1.00 89.75 C +ATOM 3749 CB ARG A 475 -52.720 -11.511 41.643 1.00 89.75 C +ATOM 3750 O ARG A 475 -50.385 -12.752 42.899 1.00 89.75 O +ATOM 3751 CG ARG A 475 -53.683 -10.519 40.983 1.00 89.75 C +ATOM 3752 CD ARG A 475 -54.277 -11.141 39.711 1.00 89.75 C +ATOM 3753 NE ARG A 475 -55.085 -10.172 38.949 1.00 89.75 N +ATOM 3754 NH1 ARG A 475 -55.802 -11.618 37.297 1.00 89.75 N +ATOM 3755 NH2 ARG A 475 -56.464 -9.490 37.271 1.00 89.75 N +ATOM 3756 CZ ARG A 475 -55.775 -10.434 37.849 1.00 89.75 C +ATOM 3757 N PRO A 476 -51.465 -12.266 44.797 1.00 87.00 N +ATOM 3758 CA PRO A 476 -50.886 -13.399 45.530 1.00 87.00 C +ATOM 3759 C PRO A 476 -51.267 -14.767 44.931 1.00 87.00 C +ATOM 3760 CB PRO A 476 -51.381 -13.242 46.972 1.00 87.00 C +ATOM 3761 O PRO A 476 -50.582 -15.750 45.172 1.00 87.00 O +ATOM 3762 CG PRO A 476 -52.694 -12.475 46.821 1.00 87.00 C +ATOM 3763 CD PRO A 476 -52.413 -11.548 45.639 1.00 87.00 C +ATOM 3764 N LYS A 477 -52.329 -14.833 44.110 1.00 87.62 N +ATOM 3765 CA LYS A 477 -52.709 -16.029 43.334 1.00 87.62 C +ATOM 3766 C LYS A 477 -51.783 -16.326 42.144 1.00 87.62 C +ATOM 3767 CB LYS A 477 -54.154 -15.899 42.823 1.00 87.62 C +ATOM 3768 O LYS A 477 -51.875 -17.409 41.585 1.00 87.62 O +ATOM 3769 CG LYS A 477 -55.196 -15.864 43.949 1.00 87.62 C +ATOM 3770 CD LYS A 477 -56.616 -15.927 43.368 1.00 87.62 C +ATOM 3771 CE LYS A 477 -57.645 -15.953 44.504 1.00 87.62 C +ATOM 3772 NZ LYS A 477 -59.030 -16.129 43.995 1.00 87.62 N +ATOM 3773 N CYS A 478 -50.947 -15.371 41.743 1.00 88.50 N +ATOM 3774 CA CYS A 478 -50.024 -15.466 40.612 1.00 88.50 C +ATOM 3775 C CYS A 478 -48.562 -15.442 41.110 1.00 88.50 C +ATOM 3776 CB CYS A 478 -50.351 -14.341 39.612 1.00 88.50 C +ATOM 3777 O CYS A 478 -47.713 -14.799 40.501 1.00 88.50 O +ATOM 3778 SG CYS A 478 -52.029 -14.309 38.900 1.00 88.50 S +ATOM 3779 N ALA A 479 -48.295 -16.081 42.259 1.00 89.31 N +ATOM 3780 CA ALA A 479 -46.989 -16.072 42.926 1.00 89.31 C +ATOM 3781 C ALA A 479 -45.950 -17.004 42.272 1.00 89.31 C +ATOM 3782 CB ALA A 479 -47.199 -16.434 44.401 1.00 89.31 C +ATOM 3783 O ALA A 479 -44.756 -16.725 42.322 1.00 89.31 O +ATOM 3784 N GLU A 480 -46.411 -18.083 41.644 1.00 90.62 N +ATOM 3785 CA GLU A 480 -45.611 -18.997 40.832 1.00 90.62 C +ATOM 3786 C GLU A 480 -46.247 -19.046 39.444 1.00 90.62 C +ATOM 3787 CB GLU A 480 -45.566 -20.392 41.471 1.00 90.62 C +ATOM 3788 O GLU A 480 -47.449 -19.297 39.305 1.00 90.62 O +ATOM 3789 CG GLU A 480 -44.746 -20.411 42.772 1.00 90.62 C +ATOM 3790 CD GLU A 480 -44.797 -21.764 43.501 1.00 90.62 C +ATOM 3791 OE1 GLU A 480 -44.329 -21.793 44.660 1.00 90.62 O +ATOM 3792 OE2 GLU A 480 -45.340 -22.736 42.927 1.00 90.62 O +ATOM 3793 N LEU A 481 -45.463 -18.744 38.412 1.00 90.62 N +ATOM 3794 CA LEU A 481 -45.930 -18.696 37.031 1.00 90.62 C +ATOM 3795 C LEU A 481 -45.259 -19.799 36.222 1.00 90.62 C +ATOM 3796 CB LEU A 481 -45.661 -17.324 36.402 1.00 90.62 C +ATOM 3797 O LEU A 481 -44.045 -19.984 36.289 1.00 90.62 O +ATOM 3798 CG LEU A 481 -46.115 -16.101 37.211 1.00 90.62 C +ATOM 3799 CD1 LEU A 481 -45.586 -14.835 36.538 1.00 90.62 C +ATOM 3800 CD2 LEU A 481 -47.638 -16.010 37.256 1.00 90.62 C +ATOM 3801 N HIS A 482 -46.061 -20.492 35.419 1.00 92.62 N +ATOM 3802 CA HIS A 482 -45.608 -21.602 34.594 1.00 92.62 C +ATOM 3803 C HIS A 482 -45.974 -21.365 33.126 1.00 92.62 C +ATOM 3804 CB HIS A 482 -46.197 -22.896 35.164 1.00 92.62 C +ATOM 3805 O HIS A 482 -47.153 -21.399 32.742 1.00 92.62 O +ATOM 3806 CG HIS A 482 -45.761 -24.128 34.421 1.00 92.62 C +ATOM 3807 CD2 HIS A 482 -44.518 -24.380 33.907 1.00 92.62 C +ATOM 3808 ND1 HIS A 482 -46.554 -25.210 34.121 1.00 92.62 N +ATOM 3809 CE1 HIS A 482 -45.816 -26.092 33.433 1.00 92.62 C +ATOM 3810 NE2 HIS A 482 -44.568 -25.631 33.291 1.00 92.62 N +ATOM 3811 N TYR A 483 -44.950 -21.136 32.308 1.00 93.62 N +ATOM 3812 CA TYR A 483 -45.060 -20.935 30.866 1.00 93.62 C +ATOM 3813 C TYR A 483 -44.368 -22.067 30.104 1.00 93.62 C +ATOM 3814 CB TYR A 483 -44.460 -19.582 30.457 1.00 93.62 C +ATOM 3815 O TYR A 483 -43.382 -22.635 30.569 1.00 93.62 O +ATOM 3816 CG TYR A 483 -45.120 -18.359 31.060 1.00 93.62 C +ATOM 3817 CD1 TYR A 483 -46.131 -17.678 30.352 1.00 93.62 C +ATOM 3818 CD2 TYR A 483 -44.683 -17.873 32.307 1.00 93.62 C +ATOM 3819 CE1 TYR A 483 -46.721 -16.522 30.901 1.00 93.62 C +ATOM 3820 CE2 TYR A 483 -45.270 -16.721 32.859 1.00 93.62 C +ATOM 3821 OH TYR A 483 -46.891 -14.972 32.728 1.00 93.62 O +ATOM 3822 CZ TYR A 483 -46.304 -16.058 32.165 1.00 93.62 C +ATOM 3823 N MET A 484 -44.853 -22.334 28.896 1.00 93.94 N +ATOM 3824 CA MET A 484 -44.106 -23.047 27.868 1.00 93.94 C +ATOM 3825 C MET A 484 -43.491 -22.008 26.928 1.00 93.94 C +ATOM 3826 CB MET A 484 -45.042 -24.017 27.132 1.00 93.94 C +ATOM 3827 O MET A 484 -44.218 -21.212 26.324 1.00 93.94 O +ATOM 3828 CG MET A 484 -44.275 -25.039 26.286 1.00 93.94 C +ATOM 3829 SD MET A 484 -43.212 -26.192 27.208 1.00 93.94 S +ATOM 3830 CE MET A 484 -44.423 -27.039 28.259 1.00 93.94 C +ATOM 3831 N VAL A 485 -42.166 -21.997 26.820 1.00 94.81 N +ATOM 3832 CA VAL A 485 -41.448 -21.215 25.810 1.00 94.81 C +ATOM 3833 C VAL A 485 -41.377 -22.047 24.542 1.00 94.81 C +ATOM 3834 CB VAL A 485 -40.021 -20.836 26.247 1.00 94.81 C +ATOM 3835 O VAL A 485 -41.018 -23.218 24.617 1.00 94.81 O +ATOM 3836 CG1 VAL A 485 -39.494 -19.741 25.316 1.00 94.81 C +ATOM 3837 CG2 VAL A 485 -39.935 -20.329 27.689 1.00 94.81 C +ATOM 3838 N VAL A 486 -41.696 -21.465 23.390 1.00 94.81 N +ATOM 3839 CA VAL A 486 -41.607 -22.141 22.089 1.00 94.81 C +ATOM 3840 C VAL A 486 -40.704 -21.332 21.169 1.00 94.81 C +ATOM 3841 CB VAL A 486 -42.996 -22.375 21.463 1.00 94.81 C +ATOM 3842 O VAL A 486 -40.992 -20.168 20.888 1.00 94.81 O +ATOM 3843 CG1 VAL A 486 -42.887 -23.203 20.176 1.00 94.81 C +ATOM 3844 CG2 VAL A 486 -43.920 -23.142 22.420 1.00 94.81 C +ATOM 3845 N ALA A 487 -39.622 -21.949 20.701 1.00 94.50 N +ATOM 3846 CA ALA A 487 -38.759 -21.417 19.653 1.00 94.50 C +ATOM 3847 C ALA A 487 -39.171 -22.022 18.307 1.00 94.50 C +ATOM 3848 CB ALA A 487 -37.304 -21.739 19.988 1.00 94.50 C +ATOM 3849 O ALA A 487 -39.357 -23.234 18.207 1.00 94.50 O +ATOM 3850 N THR A 488 -39.305 -21.192 17.276 1.00 92.56 N +ATOM 3851 CA THR A 488 -39.763 -21.587 15.933 1.00 92.56 C +ATOM 3852 C THR A 488 -38.826 -21.029 14.864 1.00 92.56 C +ATOM 3853 CB THR A 488 -41.208 -21.111 15.665 1.00 92.56 C +ATOM 3854 O THR A 488 -38.591 -19.822 14.854 1.00 92.56 O +ATOM 3855 CG2 THR A 488 -42.226 -21.708 16.633 1.00 92.56 C +ATOM 3856 OG1 THR A 488 -41.370 -19.714 15.810 1.00 92.56 O +ATOM 3857 N ASP A 489 -38.318 -21.868 13.957 1.00 90.19 N +ATOM 3858 CA ASP A 489 -37.633 -21.401 12.742 1.00 90.19 C +ATOM 3859 C ASP A 489 -38.655 -20.961 11.687 1.00 90.19 C +ATOM 3860 CB ASP A 489 -36.674 -22.468 12.191 1.00 90.19 C +ATOM 3861 O ASP A 489 -39.576 -21.705 11.334 1.00 90.19 O +ATOM 3862 CG ASP A 489 -36.252 -22.203 10.736 1.00 90.19 C +ATOM 3863 OD1 ASP A 489 -35.957 -21.045 10.372 1.00 90.19 O +ATOM 3864 OD2 ASP A 489 -36.315 -23.162 9.936 1.00 90.19 O +ATOM 3865 N GLN A 490 -38.456 -19.757 11.155 1.00 86.06 N +ATOM 3866 CA GLN A 490 -39.315 -19.153 10.142 1.00 86.06 C +ATOM 3867 C GLN A 490 -39.296 -19.906 8.800 1.00 86.06 C +ATOM 3868 CB GLN A 490 -38.866 -17.693 9.969 1.00 86.06 C +ATOM 3869 O GLN A 490 -40.306 -19.893 8.098 1.00 86.06 O +ATOM 3870 CG GLN A 490 -39.844 -16.862 9.123 1.00 86.06 C +ATOM 3871 CD GLN A 490 -39.400 -15.413 8.939 1.00 86.06 C +ATOM 3872 NE2 GLN A 490 -40.229 -14.586 8.341 1.00 86.06 N +ATOM 3873 OE1 GLN A 490 -38.317 -14.985 9.309 1.00 86.06 O +ATOM 3874 N GLN A 491 -38.181 -20.546 8.421 1.00 85.94 N +ATOM 3875 CA GLN A 491 -38.057 -21.188 7.103 1.00 85.94 C +ATOM 3876 C GLN A 491 -38.673 -22.591 7.060 1.00 85.94 C +ATOM 3877 CB GLN A 491 -36.586 -21.263 6.671 1.00 85.94 C +ATOM 3878 O GLN A 491 -39.371 -22.934 6.108 1.00 85.94 O +ATOM 3879 CG GLN A 491 -35.942 -19.890 6.416 1.00 85.94 C +ATOM 3880 CD GLN A 491 -34.514 -20.018 5.883 1.00 85.94 C +ATOM 3881 NE2 GLN A 491 -33.742 -18.953 5.892 1.00 85.94 N +ATOM 3882 OE1 GLN A 491 -34.064 -21.069 5.455 1.00 85.94 O +ATOM 3883 N THR A 492 -38.411 -23.421 8.071 1.00 87.81 N +ATOM 3884 CA THR A 492 -38.813 -24.840 8.079 1.00 87.81 C +ATOM 3885 C THR A 492 -40.044 -25.132 8.923 1.00 87.81 C +ATOM 3886 CB THR A 492 -37.671 -25.753 8.543 1.00 87.81 C +ATOM 3887 O THR A 492 -40.543 -26.255 8.890 1.00 87.81 O +ATOM 3888 CG2 THR A 492 -36.425 -25.598 7.686 1.00 87.81 C +ATOM 3889 OG1 THR A 492 -37.305 -25.517 9.877 1.00 87.81 O +ATOM 3890 N SER A 493 -40.524 -24.160 9.709 1.00 86.38 N +ATOM 3891 CA SER A 493 -41.543 -24.370 10.752 1.00 86.38 C +ATOM 3892 C SER A 493 -41.169 -25.445 11.789 1.00 86.38 C +ATOM 3893 CB SER A 493 -42.929 -24.619 10.141 1.00 86.38 C +ATOM 3894 O SER A 493 -42.031 -25.910 12.537 1.00 86.38 O +ATOM 3895 OG SER A 493 -43.283 -23.555 9.278 1.00 86.38 O +ATOM 3896 N ARG A 494 -39.887 -25.842 11.878 1.00 89.88 N +ATOM 3897 CA ARG A 494 -39.398 -26.673 12.985 1.00 89.88 C +ATOM 3898 C ARG A 494 -39.445 -25.856 14.270 1.00 89.88 C +ATOM 3899 CB ARG A 494 -37.985 -27.219 12.719 1.00 89.88 C +ATOM 3900 O ARG A 494 -39.129 -24.667 14.279 1.00 89.88 O +ATOM 3901 CG ARG A 494 -37.976 -28.273 11.598 1.00 89.88 C +ATOM 3902 CD ARG A 494 -36.569 -28.828 11.334 1.00 89.88 C +ATOM 3903 NE ARG A 494 -36.116 -29.748 12.403 1.00 89.88 N +ATOM 3904 NH1 ARG A 494 -33.850 -29.556 12.044 1.00 89.88 N +ATOM 3905 NH2 ARG A 494 -34.599 -30.889 13.665 1.00 89.88 N +ATOM 3906 CZ ARG A 494 -34.863 -30.059 12.694 1.00 89.88 C +ATOM 3907 N GLN A 495 -39.830 -26.516 15.354 1.00 92.12 N +ATOM 3908 CA GLN A 495 -39.977 -25.892 16.659 1.00 92.12 C +ATOM 3909 C GLN A 495 -39.404 -26.763 17.771 1.00 92.12 C +ATOM 3910 CB GLN A 495 -41.450 -25.521 16.910 1.00 92.12 C +ATOM 3911 O GLN A 495 -39.339 -27.988 17.643 1.00 92.12 O +ATOM 3912 CG GLN A 495 -42.391 -26.727 17.082 1.00 92.12 C +ATOM 3913 CD GLN A 495 -43.845 -26.326 17.323 1.00 92.12 C +ATOM 3914 NE2 GLN A 495 -44.735 -27.283 17.464 1.00 92.12 N +ATOM 3915 OE1 GLN A 495 -44.223 -25.170 17.396 1.00 92.12 O +ATOM 3916 N ALA A 496 -39.046 -26.116 18.870 1.00 92.88 N +ATOM 3917 CA ALA A 496 -38.688 -26.746 20.130 1.00 92.88 C +ATOM 3918 C ALA A 496 -39.322 -25.972 21.285 1.00 92.88 C +ATOM 3919 CB ALA A 496 -37.169 -26.799 20.239 1.00 92.88 C +ATOM 3920 O ALA A 496 -39.684 -24.803 21.136 1.00 92.88 O +ATOM 3921 N GLN A 497 -39.478 -26.633 22.429 1.00 94.38 N +ATOM 3922 CA GLN A 497 -40.153 -26.061 23.588 1.00 94.38 C +ATOM 3923 C GLN A 497 -39.387 -26.334 24.881 1.00 94.38 C +ATOM 3924 CB GLN A 497 -41.617 -26.532 23.642 1.00 94.38 C +ATOM 3925 O GLN A 497 -38.775 -27.392 25.025 1.00 94.38 O +ATOM 3926 CG GLN A 497 -41.765 -28.032 23.954 1.00 94.38 C +ATOM 3927 CD GLN A 497 -43.204 -28.537 23.898 1.00 94.38 C +ATOM 3928 NE2 GLN A 497 -43.428 -29.789 24.231 1.00 94.38 N +ATOM 3929 OE1 GLN A 497 -44.150 -27.853 23.546 1.00 94.38 O +ATOM 3930 N ALA A 498 -39.453 -25.382 25.807 1.00 95.31 N +ATOM 3931 CA ALA A 498 -38.801 -25.428 27.109 1.00 95.31 C +ATOM 3932 C ALA A 498 -39.754 -24.940 28.204 1.00 95.31 C +ATOM 3933 CB ALA A 498 -37.535 -24.569 27.062 1.00 95.31 C +ATOM 3934 O ALA A 498 -40.577 -24.046 27.986 1.00 95.31 O +ATOM 3935 N GLN A 499 -39.623 -25.505 29.399 1.00 95.06 N +ATOM 3936 CA GLN A 499 -40.386 -25.075 30.561 1.00 95.06 C +ATOM 3937 C GLN A 499 -39.817 -23.756 31.104 1.00 95.06 C +ATOM 3938 CB GLN A 499 -40.333 -26.200 31.602 1.00 95.06 C +ATOM 3939 O GLN A 499 -38.608 -23.631 31.266 1.00 95.06 O +ATOM 3940 CG GLN A 499 -41.439 -26.040 32.644 1.00 95.06 C +ATOM 3941 CD GLN A 499 -41.401 -27.102 33.737 1.00 95.06 C +ATOM 3942 NE2 GLN A 499 -42.410 -27.165 34.573 1.00 95.06 N +ATOM 3943 OE1 GLN A 499 -40.472 -27.879 33.877 1.00 95.06 O +ATOM 3944 N LEU A 500 -40.665 -22.782 31.433 1.00 95.31 N +ATOM 3945 CA LEU A 500 -40.264 -21.558 32.132 1.00 95.31 C +ATOM 3946 C LEU A 500 -41.037 -21.444 33.449 1.00 95.31 C +ATOM 3947 CB LEU A 500 -40.416 -20.353 31.187 1.00 95.31 C +ATOM 3948 O LEU A 500 -42.264 -21.294 33.457 1.00 95.31 O +ATOM 3949 CG LEU A 500 -40.288 -18.970 31.849 1.00 95.31 C +ATOM 3950 CD1 LEU A 500 -38.896 -18.726 32.428 1.00 95.31 C +ATOM 3951 CD2 LEU A 500 -40.572 -17.865 30.832 1.00 95.31 C +ATOM 3952 N LEU A 501 -40.296 -21.523 34.552 1.00 93.81 N +ATOM 3953 CA LEU A 501 -40.779 -21.391 35.922 1.00 93.81 C +ATOM 3954 C LEU A 501 -40.323 -20.045 36.486 1.00 93.81 C +ATOM 3955 CB LEU A 501 -40.246 -22.560 36.772 1.00 93.81 C +ATOM 3956 O LEU A 501 -39.129 -19.740 36.474 1.00 93.81 O +ATOM 3957 CG LEU A 501 -40.812 -23.938 36.388 1.00 93.81 C +ATOM 3958 CD1 LEU A 501 -40.080 -25.034 37.162 1.00 93.81 C +ATOM 3959 CD2 LEU A 501 -42.305 -24.049 36.708 1.00 93.81 C +ATOM 3960 N VAL A 502 -41.280 -19.248 36.968 1.00 94.06 N +ATOM 3961 CA VAL A 502 -41.014 -17.898 37.480 1.00 94.06 C +ATOM 3962 C VAL A 502 -41.610 -17.691 38.865 1.00 94.06 C +ATOM 3963 CB VAL A 502 -41.472 -16.805 36.500 1.00 94.06 C +ATOM 3964 O VAL A 502 -42.831 -17.758 39.028 1.00 94.06 O +ATOM 3965 CG1 VAL A 502 -41.124 -15.410 37.035 1.00 94.06 C +ATOM 3966 CG2 VAL A 502 -40.867 -17.038 35.111 1.00 94.06 C +ATOM 3967 N THR A 503 -40.756 -17.394 39.845 1.00 93.94 N +ATOM 3968 CA THR A 503 -41.151 -17.043 41.216 1.00 93.94 C +ATOM 3969 C THR A 503 -41.321 -15.530 41.369 1.00 93.94 C +ATOM 3970 CB THR A 503 -40.156 -17.588 42.256 1.00 93.94 C +ATOM 3971 O THR A 503 -40.499 -14.735 40.915 1.00 93.94 O +ATOM 3972 CG2 THR A 503 -40.187 -19.116 42.312 1.00 93.94 C +ATOM 3973 OG1 THR A 503 -38.842 -17.210 41.936 1.00 93.94 O +ATOM 3974 N VAL A 504 -42.424 -15.110 41.992 1.00 92.75 N +ATOM 3975 CA VAL A 504 -42.809 -13.698 42.140 1.00 92.75 C +ATOM 3976 C VAL A 504 -42.608 -13.261 43.596 1.00 92.75 C +ATOM 3977 CB VAL A 504 -44.233 -13.484 41.601 1.00 92.75 C +ATOM 3978 O VAL A 504 -43.471 -13.446 44.468 1.00 92.75 O +ATOM 3979 CG1 VAL A 504 -44.712 -12.050 41.799 1.00 92.75 C +ATOM 3980 CG2 VAL A 504 -44.343 -13.827 40.108 1.00 92.75 C +ATOM 3981 N GLU A 505 -41.436 -12.687 43.859 1.00 91.12 N +ATOM 3982 CA GLU A 505 -40.813 -12.576 45.183 1.00 91.12 C +ATOM 3983 C GLU A 505 -40.860 -11.161 45.788 1.00 91.12 C +ATOM 3984 CB GLU A 505 -39.362 -13.080 45.104 1.00 91.12 C +ATOM 3985 O GLU A 505 -40.958 -10.149 45.093 1.00 91.12 O +ATOM 3986 CG GLU A 505 -39.298 -14.605 44.923 1.00 91.12 C +ATOM 3987 CD GLU A 505 -37.875 -15.130 44.690 1.00 91.12 C +ATOM 3988 OE1 GLU A 505 -37.781 -16.251 44.143 1.00 91.12 O +ATOM 3989 OE2 GLU A 505 -36.909 -14.408 45.020 1.00 91.12 O +ATOM 3990 N GLY A 506 -40.775 -11.085 47.119 1.00 87.31 N +ATOM 3991 CA GLY A 506 -40.757 -9.828 47.873 1.00 87.31 C +ATOM 3992 C GLY A 506 -42.137 -9.231 48.181 1.00 87.31 C +ATOM 3993 O GLY A 506 -43.182 -9.851 47.974 1.00 87.31 O +ATOM 3994 N SER A 507 -42.130 -8.005 48.709 1.00 85.31 N +ATOM 3995 CA SER A 507 -43.322 -7.270 49.160 1.00 85.31 C +ATOM 3996 C SER A 507 -43.627 -6.079 48.255 1.00 85.31 C +ATOM 3997 CB SER A 507 -43.143 -6.788 50.604 1.00 85.31 C +ATOM 3998 O SER A 507 -42.717 -5.419 47.755 1.00 85.31 O +ATOM 3999 OG SER A 507 -43.065 -7.904 51.468 1.00 85.31 O +ATOM 4000 N TYR A 508 -44.912 -5.768 48.074 1.00 86.44 N +ATOM 4001 CA TYR A 508 -45.331 -4.549 47.383 1.00 86.44 C +ATOM 4002 C TYR A 508 -45.281 -3.346 48.334 1.00 86.44 C +ATOM 4003 CB TYR A 508 -46.725 -4.733 46.763 1.00 86.44 C +ATOM 4004 O TYR A 508 -45.779 -3.421 49.456 1.00 86.44 O +ATOM 4005 CG TYR A 508 -47.199 -3.504 46.009 1.00 86.44 C +ATOM 4006 CD1 TYR A 508 -48.266 -2.726 46.505 1.00 86.44 C +ATOM 4007 CD2 TYR A 508 -46.501 -3.085 44.860 1.00 86.44 C +ATOM 4008 CE1 TYR A 508 -48.635 -1.534 45.852 1.00 86.44 C +ATOM 4009 CE2 TYR A 508 -46.829 -1.864 44.244 1.00 86.44 C +ATOM 4010 OH TYR A 508 -48.214 0.090 44.133 1.00 86.44 O +ATOM 4011 CZ TYR A 508 -47.901 -1.088 44.733 1.00 86.44 C +ATOM 4012 N VAL A 509 -44.710 -2.239 47.861 1.00 84.31 N +ATOM 4013 CA VAL A 509 -44.717 -0.929 48.522 1.00 84.31 C +ATOM 4014 C VAL A 509 -45.378 0.044 47.550 1.00 84.31 C +ATOM 4015 CB VAL A 509 -43.291 -0.479 48.911 1.00 84.31 C +ATOM 4016 O VAL A 509 -45.101 -0.017 46.351 1.00 84.31 O +ATOM 4017 CG1 VAL A 509 -43.299 0.849 49.675 1.00 84.31 C +ATOM 4018 CG2 VAL A 509 -42.600 -1.517 49.809 1.00 84.31 C +ATOM 4019 N ALA A 510 -46.283 0.890 48.045 1.00 82.69 N +ATOM 4020 CA ALA A 510 -46.916 1.914 47.221 1.00 82.69 C +ATOM 4021 C ALA A 510 -45.883 2.959 46.769 1.00 82.69 C +ATOM 4022 CB ALA A 510 -48.088 2.536 47.988 1.00 82.69 C +ATOM 4023 O ALA A 510 -44.943 3.268 47.496 1.00 82.69 O +ATOM 4024 N GLU A 511 -46.058 3.470 45.555 1.00 77.56 N +ATOM 4025 CA GLU A 511 -45.205 4.509 44.971 1.00 77.56 C +ATOM 4026 C GLU A 511 -45.578 5.882 45.557 1.00 77.56 C +ATOM 4027 CB GLU A 511 -45.357 4.455 43.437 1.00 77.56 C +ATOM 4028 O GLU A 511 -46.739 6.108 45.910 1.00 77.56 O +ATOM 4029 CG GLU A 511 -44.772 3.155 42.833 1.00 77.56 C +ATOM 4030 CD GLU A 511 -45.475 2.672 41.548 1.00 77.56 C +ATOM 4031 OE1 GLU A 511 -45.454 1.441 41.277 1.00 77.56 O +ATOM 4032 OE2 GLU A 511 -46.029 3.491 40.792 1.00 77.56 O +ATOM 4033 N GLU A 512 -44.611 6.796 45.676 1.00 78.44 N +ATOM 4034 CA GLU A 512 -44.874 8.133 46.215 1.00 78.44 C +ATOM 4035 C GLU A 512 -45.688 8.999 45.244 1.00 78.44 C +ATOM 4036 CB GLU A 512 -43.583 8.847 46.637 1.00 78.44 C +ATOM 4037 O GLU A 512 -45.505 8.966 44.022 1.00 78.44 O +ATOM 4038 CG GLU A 512 -42.907 8.134 47.820 1.00 78.44 C +ATOM 4039 CD GLU A 512 -41.848 8.993 48.527 1.00 78.44 C +ATOM 4040 OE1 GLU A 512 -41.471 8.585 49.650 1.00 78.44 O +ATOM 4041 OE2 GLU A 512 -41.470 10.041 47.964 1.00 78.44 O +ATOM 4042 N ALA A 513 -46.595 9.805 45.804 1.00 77.25 N +ATOM 4043 CA ALA A 513 -47.453 10.718 45.057 1.00 77.25 C +ATOM 4044 C ALA A 513 -46.649 11.933 44.555 1.00 77.25 C +ATOM 4045 CB ALA A 513 -48.653 11.091 45.938 1.00 77.25 C +ATOM 4046 O ALA A 513 -46.665 13.002 45.158 1.00 77.25 O +ATOM 4047 N GLY A 514 -45.935 11.733 43.448 1.00 84.19 N +ATOM 4048 CA GLY A 514 -45.021 12.704 42.835 1.00 84.19 C +ATOM 4049 C GLY A 514 -44.049 12.083 41.822 1.00 84.19 C +ATOM 4050 O GLY A 514 -43.449 12.804 41.033 1.00 84.19 O +ATOM 4051 N CYS A 515 -43.926 10.751 41.807 1.00 90.38 N +ATOM 4052 CA CYS A 515 -43.058 10.016 40.888 1.00 90.38 C +ATOM 4053 C CYS A 515 -43.393 10.224 39.390 1.00 90.38 C +ATOM 4054 CB CYS A 515 -43.172 8.523 41.231 1.00 90.38 C +ATOM 4055 O CYS A 515 -44.538 9.968 38.998 1.00 90.38 O +ATOM 4056 SG CYS A 515 -41.809 7.879 42.217 1.00 90.38 S +ATOM 4057 N PRO A 516 -42.418 10.582 38.526 1.00 92.38 N +ATOM 4058 CA PRO A 516 -42.589 10.560 37.072 1.00 92.38 C +ATOM 4059 C PRO A 516 -42.712 9.131 36.512 1.00 92.38 C +ATOM 4060 CB PRO A 516 -41.367 11.295 36.506 1.00 92.38 C +ATOM 4061 O PRO A 516 -42.356 8.141 37.155 1.00 92.38 O +ATOM 4062 CG PRO A 516 -40.284 11.024 37.547 1.00 92.38 C +ATOM 4063 CD PRO A 516 -41.073 11.047 38.854 1.00 92.38 C +ATOM 4064 N LEU A 517 -43.209 9.011 35.274 1.00 93.62 N +ATOM 4065 CA LEU A 517 -43.381 7.714 34.606 1.00 93.62 C +ATOM 4066 C LEU A 517 -42.047 7.084 34.168 1.00 93.62 C +ATOM 4067 CB LEU A 517 -44.339 7.891 33.410 1.00 93.62 C +ATOM 4068 O LEU A 517 -41.908 5.860 34.228 1.00 93.62 O +ATOM 4069 CG LEU A 517 -44.679 6.585 32.661 1.00 93.62 C +ATOM 4070 CD1 LEU A 517 -45.407 5.573 33.555 1.00 93.62 C +ATOM 4071 CD2 LEU A 517 -45.573 6.890 31.462 1.00 93.62 C +ATOM 4072 N SER A 518 -41.084 7.905 33.739 1.00 95.81 N +ATOM 4073 CA SER A 518 -39.755 7.484 33.280 1.00 95.81 C +ATOM 4074 C SER A 518 -38.674 7.861 34.292 1.00 95.81 C +ATOM 4075 CB SER A 518 -39.424 8.112 31.923 1.00 95.81 C +ATOM 4076 O SER A 518 -38.721 8.940 34.882 1.00 95.81 O +ATOM 4077 OG SER A 518 -38.213 7.567 31.441 1.00 95.81 O +ATOM 4078 N CYS A 519 -37.673 6.990 34.451 1.00 96.75 N +ATOM 4079 CA CYS A 519 -36.519 7.242 35.315 1.00 96.75 C +ATOM 4080 C CYS A 519 -35.705 8.465 34.871 1.00 96.75 C +ATOM 4081 CB CYS A 519 -35.633 5.988 35.328 1.00 96.75 C +ATOM 4082 O CYS A 519 -35.279 9.256 35.707 1.00 96.75 O +ATOM 4083 SG CYS A 519 -36.366 4.572 36.189 1.00 96.75 S +ATOM 4084 N ALA A 520 -35.558 8.668 33.558 1.00 96.62 N +ATOM 4085 CA ALA A 520 -34.694 9.702 32.994 1.00 96.62 C +ATOM 4086 C ALA A 520 -35.169 11.145 33.252 1.00 96.62 C +ATOM 4087 CB ALA A 520 -34.536 9.413 31.500 1.00 96.62 C +ATOM 4088 O ALA A 520 -34.458 12.079 32.898 1.00 96.62 O +ATOM 4089 N VAL A 521 -36.343 11.348 33.863 1.00 96.19 N +ATOM 4090 CA VAL A 521 -36.842 12.675 34.260 1.00 96.19 C +ATOM 4091 C VAL A 521 -36.104 13.204 35.498 1.00 96.19 C +ATOM 4092 CB VAL A 521 -38.366 12.617 34.496 1.00 96.19 C +ATOM 4093 O VAL A 521 -35.821 14.402 35.569 1.00 96.19 O +ATOM 4094 CG1 VAL A 521 -38.946 13.951 34.981 1.00 96.19 C +ATOM 4095 CG2 VAL A 521 -39.107 12.239 33.205 1.00 96.19 C +ATOM 4096 N SER A 522 -35.763 12.329 36.455 1.00 94.38 N +ATOM 4097 CA SER A 522 -35.077 12.708 37.698 1.00 94.38 C +ATOM 4098 C SER A 522 -33.664 13.216 37.403 1.00 94.38 C +ATOM 4099 CB SER A 522 -35.010 11.527 38.677 1.00 94.38 C +ATOM 4100 O SER A 522 -32.823 12.471 36.894 1.00 94.38 O +ATOM 4101 OG SER A 522 -36.309 11.167 39.118 1.00 94.38 O +ATOM 4102 N LYS A 523 -33.385 14.482 37.742 1.00 92.31 N +ATOM 4103 CA LYS A 523 -32.073 15.102 37.494 1.00 92.31 C +ATOM 4104 C LYS A 523 -31.069 14.762 38.593 1.00 92.31 C +ATOM 4105 CB LYS A 523 -32.231 16.621 37.283 1.00 92.31 C +ATOM 4106 O LYS A 523 -29.878 14.672 38.310 1.00 92.31 O +ATOM 4107 CG LYS A 523 -30.893 17.277 36.889 1.00 92.31 C +ATOM 4108 CD LYS A 523 -31.010 18.764 36.527 1.00 92.31 C +ATOM 4109 CE LYS A 523 -29.596 19.300 36.256 1.00 92.31 C +ATOM 4110 NZ LYS A 523 -29.575 20.749 35.942 1.00 92.31 N +ATOM 4111 N ARG A 524 -31.517 14.576 39.839 1.00 92.25 N +ATOM 4112 CA ARG A 524 -30.626 14.302 40.977 1.00 92.25 C +ATOM 4113 C ARG A 524 -30.680 12.855 41.436 1.00 92.25 C +ATOM 4114 CB ARG A 524 -30.932 15.270 42.120 1.00 92.25 C +ATOM 4115 O ARG A 524 -31.697 12.175 41.327 1.00 92.25 O +ATOM 4116 CG ARG A 524 -30.544 16.693 41.713 1.00 92.25 C +ATOM 4117 CD ARG A 524 -30.904 17.666 42.824 1.00 92.25 C +ATOM 4118 NE ARG A 524 -30.249 18.960 42.587 1.00 92.25 N +ATOM 4119 NH1 ARG A 524 -31.734 20.226 43.790 1.00 92.25 N +ATOM 4120 NH2 ARG A 524 -29.946 21.183 42.827 1.00 92.25 N +ATOM 4121 CZ ARG A 524 -30.649 20.115 43.069 1.00 92.25 C +ATOM 4122 N ARG A 525 -29.582 12.411 42.051 1.00 93.56 N +ATOM 4123 CA ARG A 525 -29.438 11.054 42.591 1.00 93.56 C +ATOM 4124 C ARG A 525 -30.536 10.669 43.592 1.00 93.56 C +ATOM 4125 CB ARG A 525 -28.036 10.917 43.194 1.00 93.56 C +ATOM 4126 O ARG A 525 -31.065 9.570 43.493 1.00 93.56 O +ATOM 4127 CG ARG A 525 -27.841 9.497 43.722 1.00 93.56 C +ATOM 4128 CD ARG A 525 -26.409 9.242 44.172 1.00 93.56 C +ATOM 4129 NE ARG A 525 -26.340 7.843 44.585 1.00 93.56 N +ATOM 4130 NH1 ARG A 525 -24.133 7.615 45.153 1.00 93.56 N +ATOM 4131 NH2 ARG A 525 -25.574 5.873 45.227 1.00 93.56 N +ATOM 4132 CZ ARG A 525 -25.333 7.124 44.994 1.00 93.56 C +ATOM 4133 N LEU A 526 -30.885 11.561 44.524 1.00 92.12 N +ATOM 4134 CA LEU A 526 -31.932 11.307 45.527 1.00 92.12 C +ATOM 4135 C LEU A 526 -33.299 11.091 44.852 1.00 92.12 C +ATOM 4136 CB LEU A 526 -31.964 12.461 46.551 1.00 92.12 C +ATOM 4137 O LEU A 526 -33.904 10.036 45.010 1.00 92.12 O +ATOM 4138 CG LEU A 526 -30.705 12.571 47.434 1.00 92.12 C +ATOM 4139 CD1 LEU A 526 -30.725 13.878 48.228 1.00 92.12 C +ATOM 4140 CD2 LEU A 526 -30.586 11.413 48.427 1.00 92.12 C +ATOM 4141 N GLU A 527 -33.695 12.023 43.980 1.00 92.56 N +ATOM 4142 CA GLU A 527 -34.921 11.960 43.162 1.00 92.56 C +ATOM 4143 C GLU A 527 -34.984 10.708 42.262 1.00 92.56 C +ATOM 4144 CB GLU A 527 -34.962 13.197 42.241 1.00 92.56 C +ATOM 4145 O GLU A 527 -36.065 10.245 41.896 1.00 92.56 O +ATOM 4146 CG GLU A 527 -34.995 14.565 42.951 1.00 92.56 C +ATOM 4147 CD GLU A 527 -34.573 15.735 42.037 1.00 92.56 C +ATOM 4148 OE1 GLU A 527 -34.345 16.837 42.593 1.00 92.56 O +ATOM 4149 OE2 GLU A 527 -34.345 15.519 40.818 1.00 92.56 O +ATOM 4150 N CYS A 528 -33.827 10.169 41.864 1.00 94.56 N +ATOM 4151 CA CYS A 528 -33.717 8.930 41.100 1.00 94.56 C +ATOM 4152 C CYS A 528 -33.954 7.689 41.978 1.00 94.56 C +ATOM 4153 CB CYS A 528 -32.333 8.890 40.436 1.00 94.56 C +ATOM 4154 O CYS A 528 -34.810 6.864 41.667 1.00 94.56 O +ATOM 4155 SG CYS A 528 -32.067 7.466 39.354 1.00 94.56 S +ATOM 4156 N GLU A 529 -33.211 7.551 43.081 1.00 93.56 N +ATOM 4157 CA GLU A 529 -33.201 6.340 43.918 1.00 93.56 C +ATOM 4158 C GLU A 529 -34.440 6.208 44.830 1.00 93.56 C +ATOM 4159 CB GLU A 529 -31.906 6.305 44.755 1.00 93.56 C +ATOM 4160 O GLU A 529 -34.801 5.099 45.245 1.00 93.56 O +ATOM 4161 CG GLU A 529 -30.624 6.098 43.918 1.00 93.56 C +ATOM 4162 CD GLU A 529 -29.326 6.073 44.755 1.00 93.56 C +ATOM 4163 OE1 GLU A 529 -28.226 5.899 44.172 1.00 93.56 O +ATOM 4164 OE2 GLU A 529 -29.361 6.245 45.990 1.00 93.56 O +ATOM 4165 N GLU A 530 -35.118 7.316 45.145 1.00 90.81 N +ATOM 4166 CA GLU A 530 -36.374 7.315 45.908 1.00 90.81 C +ATOM 4167 C GLU A 530 -37.556 6.820 45.054 1.00 90.81 C +ATOM 4168 CB GLU A 530 -36.611 8.716 46.512 1.00 90.81 C +ATOM 4169 O GLU A 530 -38.422 6.088 45.553 1.00 90.81 O +ATOM 4170 CG GLU A 530 -35.611 8.956 47.664 1.00 90.81 C +ATOM 4171 CD GLU A 530 -35.587 10.382 48.245 1.00 90.81 C +ATOM 4172 OE1 GLU A 530 -34.932 10.535 49.304 1.00 90.81 O +ATOM 4173 OE2 GLU A 530 -36.164 11.307 47.634 1.00 90.81 O +ATOM 4174 N CYS A 531 -37.535 7.117 43.751 1.00 91.12 N +ATOM 4175 CA CYS A 531 -38.617 6.851 42.809 1.00 91.12 C +ATOM 4176 C CYS A 531 -38.438 5.558 41.977 1.00 91.12 C +ATOM 4177 CB CYS A 531 -38.795 8.102 41.939 1.00 91.12 C +ATOM 4178 O CYS A 531 -37.369 4.950 41.914 1.00 91.12 O +ATOM 4179 SG CYS A 531 -40.272 8.066 40.897 1.00 91.12 S +ATOM 4180 N GLY A 532 -39.517 5.107 41.324 1.00 87.44 N +ATOM 4181 CA GLY A 532 -39.511 3.994 40.372 1.00 87.44 C +ATOM 4182 C GLY A 532 -40.259 4.327 39.081 1.00 87.44 C +ATOM 4183 O GLY A 532 -41.455 4.625 39.109 1.00 87.44 O +ATOM 4184 N GLY A 533 -39.560 4.222 37.950 1.00 91.19 N +ATOM 4185 CA GLY A 533 -40.094 4.412 36.600 1.00 91.19 C +ATOM 4186 C GLY A 533 -40.373 3.102 35.853 1.00 91.19 C +ATOM 4187 O GLY A 533 -40.156 1.995 36.360 1.00 91.19 O +ATOM 4188 N LEU A 534 -40.872 3.236 34.625 1.00 94.81 N +ATOM 4189 CA LEU A 534 -41.050 2.148 33.657 1.00 94.81 C +ATOM 4190 C LEU A 534 -39.719 1.410 33.400 1.00 94.81 C +ATOM 4191 CB LEU A 534 -41.629 2.773 32.372 1.00 94.81 C +ATOM 4192 O LEU A 534 -38.654 1.997 33.543 1.00 94.81 O +ATOM 4193 CG LEU A 534 -42.338 1.802 31.418 1.00 94.81 C +ATOM 4194 CD1 LEU A 534 -43.615 1.230 32.045 1.00 94.81 C +ATOM 4195 CD2 LEU A 534 -42.747 2.558 30.156 1.00 94.81 C +ATOM 4196 N GLY A 535 -39.762 0.115 33.071 1.00 94.56 N +ATOM 4197 CA GLY A 535 -38.560 -0.698 32.834 1.00 94.56 C +ATOM 4198 C GLY A 535 -37.799 -1.162 34.087 1.00 94.56 C +ATOM 4199 O GLY A 535 -36.955 -2.043 33.974 1.00 94.56 O +ATOM 4200 N SER A 536 -38.085 -0.637 35.287 1.00 95.00 N +ATOM 4201 CA SER A 536 -37.314 -0.992 36.493 1.00 95.00 C +ATOM 4202 C SER A 536 -37.626 -2.415 37.014 1.00 95.00 C +ATOM 4203 CB SER A 536 -37.476 0.058 37.601 1.00 95.00 C +ATOM 4204 O SER A 536 -38.767 -2.689 37.413 1.00 95.00 O +ATOM 4205 OG SER A 536 -38.826 0.264 37.992 1.00 95.00 O +ATOM 4206 N PRO A 537 -36.643 -3.342 37.086 1.00 92.81 N +ATOM 4207 CA PRO A 537 -36.865 -4.711 37.571 1.00 92.81 C +ATOM 4208 C PRO A 537 -36.961 -4.796 39.100 1.00 92.81 C +ATOM 4209 CB PRO A 537 -35.686 -5.521 37.019 1.00 92.81 C +ATOM 4210 O PRO A 537 -37.600 -5.696 39.643 1.00 92.81 O +ATOM 4211 CG PRO A 537 -34.550 -4.500 36.953 1.00 92.81 C +ATOM 4212 CD PRO A 537 -35.268 -3.195 36.611 1.00 92.81 C +ATOM 4213 N THR A 538 -36.375 -3.836 39.816 1.00 91.12 N +ATOM 4214 CA THR A 538 -36.423 -3.734 41.285 1.00 91.12 C +ATOM 4215 C THR A 538 -37.594 -2.880 41.786 1.00 91.12 C +ATOM 4216 CB THR A 538 -35.106 -3.140 41.802 1.00 91.12 C +ATOM 4217 O THR A 538 -37.911 -2.908 42.978 1.00 91.12 O +ATOM 4218 CG2 THR A 538 -33.888 -3.987 41.432 1.00 91.12 C +ATOM 4219 OG1 THR A 538 -34.964 -1.865 41.225 1.00 91.12 O +ATOM 4220 N GLY A 539 -38.252 -2.132 40.890 1.00 90.38 N +ATOM 4221 CA GLY A 539 -39.259 -1.120 41.222 1.00 90.38 C +ATOM 4222 C GLY A 539 -38.693 0.193 41.768 1.00 90.38 C +ATOM 4223 O GLY A 539 -39.424 0.932 42.432 1.00 90.38 O +ATOM 4224 N ARG A 540 -37.402 0.453 41.535 1.00 93.31 N +ATOM 4225 CA ARG A 540 -36.716 1.741 41.705 1.00 93.31 C +ATOM 4226 C ARG A 540 -35.814 1.996 40.504 1.00 93.31 C +ATOM 4227 CB ARG A 540 -35.882 1.765 42.992 1.00 93.31 C +ATOM 4228 O ARG A 540 -35.411 1.042 39.843 1.00 93.31 O +ATOM 4229 CG ARG A 540 -36.771 2.089 44.191 1.00 93.31 C +ATOM 4230 CD ARG A 540 -35.950 2.115 45.477 1.00 93.31 C +ATOM 4231 NE ARG A 540 -36.709 2.760 46.566 1.00 93.31 N +ATOM 4232 NH1 ARG A 540 -35.058 2.592 48.150 1.00 93.31 N +ATOM 4233 NH2 ARG A 540 -36.994 3.589 48.657 1.00 93.31 N +ATOM 4234 CZ ARG A 540 -36.249 2.976 47.783 1.00 93.31 C +ATOM 4235 N CYS A 541 -35.519 3.257 40.226 1.00 96.12 N +ATOM 4236 CA CYS A 541 -34.521 3.612 39.222 1.00 96.12 C +ATOM 4237 C CYS A 541 -33.095 3.441 39.773 1.00 96.12 C +ATOM 4238 CB CYS A 541 -34.801 5.030 38.735 1.00 96.12 C +ATOM 4239 O CYS A 541 -32.873 3.440 40.986 1.00 96.12 O +ATOM 4240 SG CYS A 541 -36.475 5.283 38.091 1.00 96.12 S +ATOM 4241 N GLU A 542 -32.128 3.292 38.873 1.00 97.38 N +ATOM 4242 CA GLU A 542 -30.704 3.150 39.167 1.00 97.38 C +ATOM 4243 C GLU A 542 -29.937 4.383 38.663 1.00 97.38 C +ATOM 4244 CB GLU A 542 -30.143 1.876 38.516 1.00 97.38 C +ATOM 4245 O GLU A 542 -30.000 4.740 37.480 1.00 97.38 O +ATOM 4246 CG GLU A 542 -30.736 0.556 39.038 1.00 97.38 C +ATOM 4247 CD GLU A 542 -30.138 -0.690 38.349 1.00 97.38 C +ATOM 4248 OE1 GLU A 542 -30.608 -1.809 38.655 1.00 97.38 O +ATOM 4249 OE2 GLU A 542 -29.227 -0.553 37.494 1.00 97.38 O +ATOM 4250 N TRP A 543 -29.182 5.021 39.560 1.00 96.62 N +ATOM 4251 CA TRP A 543 -28.328 6.164 39.239 1.00 96.62 C +ATOM 4252 C TRP A 543 -26.941 5.716 38.761 1.00 96.62 C +ATOM 4253 CB TRP A 543 -28.216 7.071 40.468 1.00 96.62 C +ATOM 4254 O TRP A 543 -26.225 5.016 39.484 1.00 96.62 O +ATOM 4255 CG TRP A 543 -27.389 8.297 40.242 1.00 96.62 C +ATOM 4256 CD1 TRP A 543 -26.101 8.464 40.622 1.00 96.62 C +ATOM 4257 CD2 TRP A 543 -27.765 9.521 39.544 1.00 96.62 C +ATOM 4258 CE2 TRP A 543 -26.649 10.409 39.563 1.00 96.62 C +ATOM 4259 CE3 TRP A 543 -28.938 9.972 38.902 1.00 96.62 C +ATOM 4260 NE1 TRP A 543 -25.665 9.718 40.236 1.00 96.62 N +ATOM 4261 CH2 TRP A 543 -27.881 12.104 38.363 1.00 96.62 C +ATOM 4262 CZ2 TRP A 543 -26.696 11.686 38.990 1.00 96.62 C +ATOM 4263 CZ3 TRP A 543 -28.997 11.251 38.316 1.00 96.62 C +ATOM 4264 N ARG A 544 -26.519 6.180 37.578 1.00 95.06 N +ATOM 4265 CA ARG A 544 -25.132 6.071 37.101 1.00 95.06 C +ATOM 4266 C ARG A 544 -24.422 7.399 37.333 1.00 95.06 C +ATOM 4267 CB ARG A 544 -25.103 5.658 35.617 1.00 95.06 C +ATOM 4268 O ARG A 544 -24.857 8.423 36.817 1.00 95.06 O +ATOM 4269 CG ARG A 544 -23.677 5.300 35.160 1.00 95.06 C +ATOM 4270 CD ARG A 544 -23.613 4.843 33.696 1.00 95.06 C +ATOM 4271 NE ARG A 544 -23.803 5.961 32.751 1.00 95.06 N +ATOM 4272 NH1 ARG A 544 -23.280 4.829 30.811 1.00 95.06 N +ATOM 4273 NH2 ARG A 544 -23.787 7.004 30.745 1.00 95.06 N +ATOM 4274 CZ ARG A 544 -23.622 5.920 31.443 1.00 95.06 C +ATOM 4275 N GLN A 545 -23.308 7.379 38.063 1.00 94.00 N +ATOM 4276 CA GLN A 545 -22.449 8.550 38.246 1.00 94.00 C +ATOM 4277 C GLN A 545 -21.367 8.595 37.157 1.00 94.00 C +ATOM 4278 CB GLN A 545 -21.843 8.528 39.660 1.00 94.00 C +ATOM 4279 O GLN A 545 -20.599 7.644 37.003 1.00 94.00 O +ATOM 4280 CG GLN A 545 -21.088 9.823 40.008 1.00 94.00 C +ATOM 4281 CD GLN A 545 -22.000 11.041 40.118 1.00 94.00 C +ATOM 4282 NE2 GLN A 545 -21.552 12.204 39.704 1.00 94.00 N +ATOM 4283 OE1 GLN A 545 -23.123 10.966 40.592 1.00 94.00 O +ATOM 4284 N GLY A 546 -21.302 9.709 36.429 1.00 90.50 N +ATOM 4285 CA GLY A 546 -20.280 9.981 35.422 1.00 90.50 C +ATOM 4286 C GLY A 546 -18.961 10.513 35.990 1.00 90.50 C +ATOM 4287 O GLY A 546 -18.809 10.687 37.200 1.00 90.50 O +ATOM 4288 N ASP A 547 -17.998 10.788 35.105 1.00 86.38 N +ATOM 4289 CA ASP A 547 -16.608 11.102 35.484 1.00 86.38 C +ATOM 4290 C ASP A 547 -16.209 12.590 35.435 1.00 86.38 C +ATOM 4291 CB ASP A 547 -15.648 10.215 34.677 1.00 86.38 C +ATOM 4292 O ASP A 547 -15.108 12.942 35.858 1.00 86.38 O +ATOM 4293 CG ASP A 547 -15.429 10.622 33.215 1.00 86.38 C +ATOM 4294 OD1 ASP A 547 -16.202 11.440 32.664 1.00 86.38 O +ATOM 4295 OD2 ASP A 547 -14.432 10.095 32.662 1.00 86.38 O +ATOM 4296 N GLY A 548 -17.085 13.465 34.931 1.00 78.38 N +ATOM 4297 CA GLY A 548 -16.872 14.917 34.896 1.00 78.38 C +ATOM 4298 C GLY A 548 -15.807 15.412 33.906 1.00 78.38 C +ATOM 4299 O GLY A 548 -15.488 16.601 33.914 1.00 78.38 O +ATOM 4300 N LYS A 549 -15.262 14.557 33.027 1.00 87.31 N +ATOM 4301 CA LYS A 549 -14.139 14.904 32.127 1.00 87.31 C +ATOM 4302 C LYS A 549 -14.564 15.606 30.825 1.00 87.31 C +ATOM 4303 CB LYS A 549 -13.261 13.674 31.857 1.00 87.31 C +ATOM 4304 O LYS A 549 -13.975 15.382 29.770 1.00 87.31 O +ATOM 4305 CG LYS A 549 -12.697 13.024 33.124 1.00 87.31 C +ATOM 4306 CD LYS A 549 -11.739 11.901 32.716 1.00 87.31 C +ATOM 4307 CE LYS A 549 -11.513 10.931 33.880 1.00 87.31 C +ATOM 4308 NZ LYS A 549 -11.868 9.557 33.461 1.00 87.31 N +ATOM 4309 N GLY A 550 -15.581 16.464 30.884 1.00 90.56 N +ATOM 4310 CA GLY A 550 -16.190 17.080 29.700 1.00 90.56 C +ATOM 4311 C GLY A 550 -17.293 16.205 29.098 1.00 90.56 C +ATOM 4312 O GLY A 550 -18.059 15.593 29.838 1.00 90.56 O +ATOM 4313 N ILE A 551 -17.406 16.186 27.767 1.00 92.50 N +ATOM 4314 CA ILE A 551 -18.373 15.344 27.046 1.00 92.50 C +ATOM 4315 C ILE A 551 -17.823 13.912 27.018 1.00 92.50 C +ATOM 4316 CB ILE A 551 -18.635 15.900 25.622 1.00 92.50 C +ATOM 4317 O ILE A 551 -16.830 13.657 26.336 1.00 92.50 O +ATOM 4318 CG1 ILE A 551 -19.259 17.314 25.674 1.00 92.50 C +ATOM 4319 CG2 ILE A 551 -19.565 14.961 24.830 1.00 92.50 C +ATOM 4320 CD1 ILE A 551 -19.231 18.065 24.336 1.00 92.50 C +ATOM 4321 N THR A 552 -18.438 12.984 27.756 1.00 93.31 N +ATOM 4322 CA THR A 552 -17.989 11.580 27.817 1.00 93.31 C +ATOM 4323 C THR A 552 -19.151 10.597 27.662 1.00 93.31 C +ATOM 4324 CB THR A 552 -17.165 11.262 29.087 1.00 93.31 C +ATOM 4325 O THR A 552 -20.303 10.919 27.955 1.00 93.31 O +ATOM 4326 CG2 THR A 552 -16.053 12.267 29.369 1.00 93.31 C +ATOM 4327 OG1 THR A 552 -17.956 11.171 30.245 1.00 93.31 O +ATOM 4328 N ARG A 553 -18.856 9.371 27.195 1.00 94.38 N +ATOM 4329 CA ARG A 553 -19.834 8.262 27.149 1.00 94.38 C +ATOM 4330 C ARG A 553 -20.366 7.905 28.547 1.00 94.38 C +ATOM 4331 CB ARG A 553 -19.211 7.003 26.516 1.00 94.38 C +ATOM 4332 O ARG A 553 -21.501 7.460 28.699 1.00 94.38 O +ATOM 4333 CG ARG A 553 -18.800 7.084 25.031 1.00 94.38 C +ATOM 4334 CD ARG A 553 -18.321 5.679 24.618 1.00 94.38 C +ATOM 4335 NE ARG A 553 -17.979 5.523 23.190 1.00 94.38 N +ATOM 4336 NH1 ARG A 553 -20.107 5.286 22.340 1.00 94.38 N +ATOM 4337 NH2 ARG A 553 -18.329 4.706 21.123 1.00 94.38 N +ATOM 4338 CZ ARG A 553 -18.813 5.190 22.225 1.00 94.38 C +ATOM 4339 N ASN A 554 -19.547 8.122 29.579 1.00 94.25 N +ATOM 4340 CA ASN A 554 -19.904 7.914 30.979 1.00 94.25 C +ATOM 4341 C ASN A 554 -20.443 9.212 31.606 1.00 94.25 C +ATOM 4342 CB ASN A 554 -18.708 7.304 31.732 1.00 94.25 C +ATOM 4343 O ASN A 554 -19.848 9.763 32.533 1.00 94.25 O +ATOM 4344 CG ASN A 554 -19.122 6.836 33.119 1.00 94.25 C +ATOM 4345 ND2 ASN A 554 -18.246 6.903 34.092 1.00 94.25 N +ATOM 4346 OD1 ASN A 554 -20.235 6.394 33.346 1.00 94.25 O +ATOM 4347 N PHE A 555 -21.560 9.707 31.073 1.00 94.38 N +ATOM 4348 CA PHE A 555 -22.313 10.828 31.639 1.00 94.38 C +ATOM 4349 C PHE A 555 -23.196 10.372 32.815 1.00 94.38 C +ATOM 4350 CB PHE A 555 -23.123 11.513 30.529 1.00 94.38 C +ATOM 4351 O PHE A 555 -23.662 9.222 32.844 1.00 94.38 O +ATOM 4352 CG PHE A 555 -24.125 10.617 29.819 1.00 94.38 C +ATOM 4353 CD1 PHE A 555 -23.762 9.938 28.640 1.00 94.38 C +ATOM 4354 CD2 PHE A 555 -25.425 10.464 30.336 1.00 94.38 C +ATOM 4355 CE1 PHE A 555 -24.693 9.115 27.981 1.00 94.38 C +ATOM 4356 CE2 PHE A 555 -26.361 9.648 29.671 1.00 94.38 C +ATOM 4357 CZ PHE A 555 -25.994 8.972 28.494 1.00 94.38 C +ATOM 4358 N SER A 556 -23.441 11.275 33.773 1.00 95.88 N +ATOM 4359 CA SER A 556 -24.315 11.004 34.924 1.00 95.88 C +ATOM 4360 C SER A 556 -25.779 10.963 34.490 1.00 95.88 C +ATOM 4361 CB SER A 556 -24.168 12.069 36.015 1.00 95.88 C +ATOM 4362 O SER A 556 -26.218 11.856 33.765 1.00 95.88 O +ATOM 4363 OG SER A 556 -22.854 12.129 36.535 1.00 95.88 O +ATOM 4364 N THR A 557 -26.547 9.957 34.915 1.00 96.69 N +ATOM 4365 CA THR A 557 -27.969 9.842 34.544 1.00 96.69 C +ATOM 4366 C THR A 557 -28.768 8.877 35.434 1.00 96.69 C +ATOM 4367 CB THR A 557 -28.098 9.451 33.060 1.00 96.69 C +ATOM 4368 O THR A 557 -28.194 8.082 36.186 1.00 96.69 O +ATOM 4369 CG2 THR A 557 -27.723 7.993 32.746 1.00 96.69 C +ATOM 4370 OG1 THR A 557 -29.413 9.721 32.649 1.00 96.69 O +ATOM 4371 N CYS A 558 -30.097 8.925 35.323 1.00 97.38 N +ATOM 4372 CA CYS A 558 -31.044 8.048 36.007 1.00 97.38 C +ATOM 4373 C CYS A 558 -31.701 7.071 35.016 1.00 97.38 C +ATOM 4374 CB CYS A 558 -32.098 8.909 36.709 1.00 97.38 C +ATOM 4375 O CYS A 558 -32.425 7.482 34.112 1.00 97.38 O +ATOM 4376 SG CYS A 558 -33.213 7.942 37.753 1.00 97.38 S +ATOM 4377 N SER A 559 -31.488 5.768 35.205 1.00 97.25 N +ATOM 4378 CA SER A 559 -31.904 4.711 34.266 1.00 97.25 C +ATOM 4379 C SER A 559 -32.784 3.645 34.941 1.00 97.25 C +ATOM 4380 CB SER A 559 -30.655 4.083 33.638 1.00 97.25 C +ATOM 4381 O SER A 559 -32.712 3.496 36.159 1.00 97.25 O +ATOM 4382 OG SER A 559 -29.875 3.404 34.607 1.00 97.25 O +ATOM 4383 N PRO A 560 -33.611 2.867 34.213 1.00 96.38 N +ATOM 4384 CA PRO A 560 -34.341 1.740 34.804 1.00 96.38 C +ATOM 4385 C PRO A 560 -33.436 0.553 35.148 1.00 96.38 C +ATOM 4386 CB PRO A 560 -35.389 1.322 33.773 1.00 96.38 C +ATOM 4387 O PRO A 560 -33.693 -0.152 36.122 1.00 96.38 O +ATOM 4388 CG PRO A 560 -35.420 2.454 32.755 1.00 96.38 C +ATOM 4389 CD PRO A 560 -34.019 3.050 32.832 1.00 96.38 C +ATOM 4390 N SER A 561 -32.385 0.345 34.351 1.00 95.94 N +ATOM 4391 CA SER A 561 -31.236 -0.486 34.692 1.00 95.94 C +ATOM 4392 C SER A 561 -29.978 0.055 34.021 1.00 95.94 C +ATOM 4393 CB SER A 561 -31.438 -1.947 34.284 1.00 95.94 C +ATOM 4394 O SER A 561 -29.950 0.314 32.816 1.00 95.94 O +ATOM 4395 OG SER A 561 -30.363 -2.713 34.808 1.00 95.94 O +ATOM 4396 N THR A 562 -28.909 0.145 34.804 1.00 94.50 N +ATOM 4397 CA THR A 562 -27.568 0.568 34.380 1.00 94.50 C +ATOM 4398 C THR A 562 -26.891 -0.390 33.399 1.00 94.50 C +ATOM 4399 CB THR A 562 -26.660 0.743 35.606 1.00 94.50 C +ATOM 4400 O THR A 562 -25.847 -0.045 32.851 1.00 94.50 O +ATOM 4401 CG2 THR A 562 -27.035 1.992 36.397 1.00 94.50 C +ATOM 4402 OG1 THR A 562 -26.727 -0.375 36.471 1.00 94.50 O +ATOM 4403 N LYS A 563 -27.469 -1.580 33.174 1.00 92.56 N +ATOM 4404 CA LYS A 563 -26.929 -2.631 32.296 1.00 92.56 C +ATOM 4405 C LYS A 563 -27.541 -2.698 30.896 1.00 92.56 C +ATOM 4406 CB LYS A 563 -27.098 -3.999 32.967 1.00 92.56 C +ATOM 4407 O LYS A 563 -26.971 -3.409 30.079 1.00 92.56 O +ATOM 4408 CG LYS A 563 -26.273 -4.141 34.248 1.00 92.56 C +ATOM 4409 CD LYS A 563 -26.415 -5.573 34.771 1.00 92.56 C +ATOM 4410 CE LYS A 563 -25.596 -5.726 36.051 1.00 92.56 C +ATOM 4411 NZ LYS A 563 -25.711 -7.103 36.588 1.00 92.56 N +ATOM 4412 N THR A 564 -28.687 -2.056 30.657 1.00 92.19 N +ATOM 4413 CA THR A 564 -29.393 -2.113 29.357 1.00 92.19 C +ATOM 4414 C THR A 564 -29.680 -0.736 28.773 1.00 92.19 C +ATOM 4415 CB THR A 564 -30.727 -2.884 29.436 1.00 92.19 C +ATOM 4416 O THR A 564 -29.659 -0.583 27.571 1.00 92.19 O +ATOM 4417 CG2 THR A 564 -30.584 -4.270 30.074 1.00 92.19 C +ATOM 4418 OG1 THR A 564 -31.696 -2.169 30.181 1.00 92.19 O +ATOM 4419 N CYS A 565 -29.942 0.269 29.615 1.00 94.94 N +ATOM 4420 CA CYS A 565 -30.451 1.559 29.146 1.00 94.94 C +ATOM 4421 C CYS A 565 -29.372 2.645 28.922 1.00 94.94 C +ATOM 4422 CB CYS A 565 -31.568 1.972 30.116 1.00 94.94 C +ATOM 4423 O CYS A 565 -29.664 3.697 28.361 1.00 94.94 O +ATOM 4424 SG CYS A 565 -32.297 3.610 29.861 1.00 94.94 S +ATOM 4425 N PRO A 566 -28.145 2.523 29.449 1.00 93.56 N +ATOM 4426 CA PRO A 566 -27.045 3.356 28.970 1.00 93.56 C +ATOM 4427 C PRO A 566 -25.929 2.482 28.385 1.00 93.56 C +ATOM 4428 CB PRO A 566 -26.659 4.174 30.197 1.00 93.56 C +ATOM 4429 O PRO A 566 -24.760 2.641 28.765 1.00 93.56 O +ATOM 4430 CG PRO A 566 -26.810 3.162 31.335 1.00 93.56 C +ATOM 4431 CD PRO A 566 -27.914 2.210 30.854 1.00 93.56 C +ATOM 4432 N ASP A 567 -26.305 1.528 27.528 1.00 92.25 N +ATOM 4433 CA ASP A 567 -25.396 0.579 26.871 1.00 92.25 C +ATOM 4434 C ASP A 567 -25.065 0.967 25.413 1.00 92.25 C +ATOM 4435 CB ASP A 567 -25.887 -0.875 27.075 1.00 92.25 C +ATOM 4436 O ASP A 567 -24.044 0.534 24.872 1.00 92.25 O +ATOM 4437 CG ASP A 567 -26.991 -1.395 26.140 1.00 92.25 C +ATOM 4438 OD1 ASP A 567 -27.376 -0.658 25.211 1.00 92.25 O +ATOM 4439 OD2 ASP A 567 -27.360 -2.579 26.329 1.00 92.25 O +ATOM 4440 N GLY A 568 -25.848 1.878 24.822 1.00 91.31 N +ATOM 4441 CA GLY A 568 -25.694 2.388 23.460 1.00 91.31 C +ATOM 4442 C GLY A 568 -26.478 1.613 22.393 1.00 91.31 C +ATOM 4443 O GLY A 568 -26.343 1.930 21.207 1.00 91.31 O +ATOM 4444 N HIS A 569 -27.292 0.625 22.774 1.00 91.75 N +ATOM 4445 CA HIS A 569 -28.106 -0.202 21.887 1.00 91.75 C +ATOM 4446 C HIS A 569 -29.585 -0.195 22.312 1.00 91.75 C +ATOM 4447 CB HIS A 569 -27.527 -1.626 21.827 1.00 91.75 C +ATOM 4448 O HIS A 569 -30.042 -0.980 23.132 1.00 91.75 O +ATOM 4449 CG HIS A 569 -28.303 -2.532 20.896 1.00 91.75 C +ATOM 4450 CD2 HIS A 569 -29.453 -3.212 21.198 1.00 91.75 C +ATOM 4451 ND1 HIS A 569 -27.991 -2.840 19.593 1.00 91.75 N +ATOM 4452 CE1 HIS A 569 -28.933 -3.680 19.129 1.00 91.75 C +ATOM 4453 NE2 HIS A 569 -29.871 -3.915 20.062 1.00 91.75 N +ATOM 4454 N CYS A 570 -30.384 0.640 21.643 1.00 93.94 N +ATOM 4455 CA CYS A 570 -31.843 0.652 21.784 1.00 93.94 C +ATOM 4456 C CYS A 570 -32.482 -0.678 21.322 1.00 93.94 C +ATOM 4457 CB CYS A 570 -32.362 1.849 20.980 1.00 93.94 C +ATOM 4458 O CYS A 570 -32.766 -0.863 20.130 1.00 93.94 O +ATOM 4459 SG CYS A 570 -34.161 2.024 20.907 1.00 93.94 S +ATOM 4460 N ASP A 571 -32.714 -1.593 22.268 1.00 93.12 N +ATOM 4461 CA ASP A 571 -33.120 -2.976 21.999 1.00 93.12 C +ATOM 4462 C ASP A 571 -34.624 -3.154 21.665 1.00 93.12 C +ATOM 4463 CB ASP A 571 -32.578 -3.915 23.108 1.00 93.12 C +ATOM 4464 O ASP A 571 -35.427 -2.215 21.596 1.00 93.12 O +ATOM 4465 CG ASP A 571 -33.490 -4.204 24.306 1.00 93.12 C +ATOM 4466 OD1 ASP A 571 -34.589 -3.617 24.407 1.00 93.12 O +ATOM 4467 OD2 ASP A 571 -33.182 -5.154 25.056 1.00 93.12 O +ATOM 4468 N VAL A 572 -35.041 -4.403 21.422 1.00 93.88 N +ATOM 4469 CA VAL A 572 -36.428 -4.735 21.029 1.00 93.88 C +ATOM 4470 C VAL A 572 -37.448 -4.540 22.171 1.00 93.88 C +ATOM 4471 CB VAL A 572 -36.515 -6.151 20.417 1.00 93.88 C +ATOM 4472 O VAL A 572 -38.648 -4.452 21.904 1.00 93.88 O +ATOM 4473 CG1 VAL A 572 -37.853 -6.404 19.703 1.00 93.88 C +ATOM 4474 CG2 VAL A 572 -35.427 -6.377 19.355 1.00 93.88 C +ATOM 4475 N VAL A 573 -37.013 -4.462 23.433 1.00 95.12 N +ATOM 4476 CA VAL A 573 -37.858 -4.119 24.591 1.00 95.12 C +ATOM 4477 C VAL A 573 -37.941 -2.603 24.757 1.00 95.12 C +ATOM 4478 CB VAL A 573 -37.341 -4.762 25.897 1.00 95.12 C +ATOM 4479 O VAL A 573 -39.040 -2.070 24.905 1.00 95.12 O +ATOM 4480 CG1 VAL A 573 -38.259 -4.433 27.086 1.00 95.12 C +ATOM 4481 CG2 VAL A 573 -37.290 -6.290 25.794 1.00 95.12 C +ATOM 4482 N GLU A 574 -36.817 -1.897 24.694 1.00 95.44 N +ATOM 4483 CA GLU A 574 -36.759 -0.446 24.903 1.00 95.44 C +ATOM 4484 C GLU A 574 -37.443 0.336 23.770 1.00 95.44 C +ATOM 4485 CB GLU A 574 -35.302 -0.016 25.103 1.00 95.44 C +ATOM 4486 O GLU A 574 -38.080 1.363 24.007 1.00 95.44 O +ATOM 4487 CG GLU A 574 -34.688 -0.689 26.346 1.00 95.44 C +ATOM 4488 CD GLU A 574 -33.335 -0.099 26.755 1.00 95.44 C +ATOM 4489 OE1 GLU A 574 -32.975 -0.326 27.941 1.00 95.44 O +ATOM 4490 OE2 GLU A 574 -32.773 0.653 25.931 1.00 95.44 O +ATOM 4491 N THR A 575 -37.445 -0.213 22.551 1.00 93.69 N +ATOM 4492 CA THR A 575 -38.241 0.308 21.423 1.00 93.69 C +ATOM 4493 C THR A 575 -39.765 0.194 21.587 1.00 93.69 C +ATOM 4494 CB THR A 575 -37.860 -0.355 20.088 1.00 93.69 C +ATOM 4495 O THR A 575 -40.482 0.804 20.790 1.00 93.69 O +ATOM 4496 CG2 THR A 575 -36.539 0.135 19.512 1.00 93.69 C +ATOM 4497 OG1 THR A 575 -37.750 -1.749 20.201 1.00 93.69 O +ATOM 4498 N GLN A 576 -40.294 -0.552 22.570 1.00 93.69 N +ATOM 4499 CA GLN A 576 -41.749 -0.720 22.748 1.00 93.69 C +ATOM 4500 C GLN A 576 -42.443 0.547 23.272 1.00 93.69 C +ATOM 4501 CB GLN A 576 -42.064 -1.875 23.718 1.00 93.69 C +ATOM 4502 O GLN A 576 -43.601 0.796 22.935 1.00 93.69 O +ATOM 4503 CG GLN A 576 -41.552 -3.251 23.272 1.00 93.69 C +ATOM 4504 CD GLN A 576 -42.173 -3.757 21.976 1.00 93.69 C +ATOM 4505 NE2 GLN A 576 -41.373 -4.268 21.070 1.00 93.69 N +ATOM 4506 OE1 GLN A 576 -43.378 -3.736 21.767 1.00 93.69 O +ATOM 4507 N ASP A 577 -41.761 1.326 24.114 1.00 93.44 N +ATOM 4508 CA ASP A 577 -42.279 2.552 24.727 1.00 93.44 C +ATOM 4509 C ASP A 577 -41.102 3.480 25.066 1.00 93.44 C +ATOM 4510 CB ASP A 577 -43.108 2.188 25.977 1.00 93.44 C +ATOM 4511 O ASP A 577 -40.234 3.134 25.868 1.00 93.44 O +ATOM 4512 CG ASP A 577 -43.864 3.361 26.616 1.00 93.44 C +ATOM 4513 OD1 ASP A 577 -43.425 4.528 26.472 1.00 93.44 O +ATOM 4514 OD2 ASP A 577 -44.884 3.075 27.286 1.00 93.44 O +ATOM 4515 N ILE A 578 -41.081 4.679 24.478 1.00 93.06 N +ATOM 4516 CA ILE A 578 -39.993 5.661 24.631 1.00 93.06 C +ATOM 4517 C ILE A 578 -39.781 6.120 26.089 1.00 93.06 C +ATOM 4518 CB ILE A 578 -40.235 6.837 23.654 1.00 93.06 C +ATOM 4519 O ILE A 578 -38.724 6.650 26.425 1.00 93.06 O +ATOM 4520 CG1 ILE A 578 -38.972 7.713 23.495 1.00 93.06 C +ATOM 4521 CG2 ILE A 578 -41.469 7.667 24.059 1.00 93.06 C +ATOM 4522 CD1 ILE A 578 -39.049 8.700 22.323 1.00 93.06 C +ATOM 4523 N ASN A 579 -40.748 5.872 26.981 1.00 95.62 N +ATOM 4524 CA ASN A 579 -40.618 6.128 28.417 1.00 95.62 C +ATOM 4525 C ASN A 579 -39.712 5.125 29.150 1.00 95.62 C +ATOM 4526 CB ASN A 579 -42.014 6.132 29.056 1.00 95.62 C +ATOM 4527 O ASN A 579 -39.326 5.407 30.286 1.00 95.62 O +ATOM 4528 CG ASN A 579 -42.847 7.295 28.576 1.00 95.62 C +ATOM 4529 ND2 ASN A 579 -43.720 7.082 27.623 1.00 95.62 N +ATOM 4530 OD1 ASN A 579 -42.702 8.403 29.059 1.00 95.62 O +ATOM 4531 N ILE A 580 -39.392 3.970 28.553 1.00 96.50 N +ATOM 4532 CA ILE A 580 -38.477 2.980 29.143 1.00 96.50 C +ATOM 4533 C ILE A 580 -37.075 3.586 29.198 1.00 96.50 C +ATOM 4534 CB ILE A 580 -38.485 1.647 28.351 1.00 96.50 C +ATOM 4535 O ILE A 580 -36.560 3.857 30.280 1.00 96.50 O +ATOM 4536 CG1 ILE A 580 -39.894 1.017 28.300 1.00 96.50 C +ATOM 4537 CG2 ILE A 580 -37.497 0.645 28.980 1.00 96.50 C +ATOM 4538 CD1 ILE A 580 -40.028 -0.032 27.190 1.00 96.50 C +ATOM 4539 N CYS A 581 -36.495 3.849 28.028 1.00 97.00 N +ATOM 4540 CA CYS A 581 -35.125 4.310 27.905 1.00 97.00 C +ATOM 4541 C CYS A 581 -34.971 5.405 26.834 1.00 97.00 C +ATOM 4542 CB CYS A 581 -34.223 3.114 27.626 1.00 97.00 C +ATOM 4543 O CYS A 581 -34.504 5.145 25.723 1.00 97.00 O +ATOM 4544 SG CYS A 581 -32.539 3.654 27.843 1.00 97.00 S +ATOM 4545 N PRO A 582 -35.361 6.659 27.122 1.00 96.25 N +ATOM 4546 CA PRO A 582 -35.234 7.729 26.139 1.00 96.25 C +ATOM 4547 C PRO A 582 -33.770 8.012 25.780 1.00 96.25 C +ATOM 4548 CB PRO A 582 -35.936 8.940 26.755 1.00 96.25 C +ATOM 4549 O PRO A 582 -33.484 8.296 24.627 1.00 96.25 O +ATOM 4550 CG PRO A 582 -35.863 8.673 28.259 1.00 96.25 C +ATOM 4551 CD PRO A 582 -35.945 7.152 28.360 1.00 96.25 C +ATOM 4552 N GLN A 583 -32.829 7.891 26.718 1.00 94.38 N +ATOM 4553 CA GLN A 583 -31.423 8.219 26.462 1.00 94.38 C +ATOM 4554 C GLN A 583 -30.770 7.366 25.358 1.00 94.38 C +ATOM 4555 CB GLN A 583 -30.651 8.196 27.784 1.00 94.38 C +ATOM 4556 O GLN A 583 -30.004 7.933 24.588 1.00 94.38 O +ATOM 4557 CG GLN A 583 -30.539 6.780 28.366 1.00 94.38 C +ATOM 4558 CD GLN A 583 -30.305 6.752 29.866 1.00 94.38 C +ATOM 4559 NE2 GLN A 583 -29.808 5.662 30.383 1.00 94.38 N +ATOM 4560 OE1 GLN A 583 -30.605 7.670 30.608 1.00 94.38 O +ATOM 4561 N ASP A 584 -31.150 6.093 25.185 1.00 95.69 N +ATOM 4562 CA ASP A 584 -30.653 5.255 24.081 1.00 95.69 C +ATOM 4563 C ASP A 584 -31.646 5.174 22.900 1.00 95.69 C +ATOM 4564 CB ASP A 584 -30.209 3.872 24.615 1.00 95.69 C +ATOM 4565 O ASP A 584 -31.223 4.988 21.759 1.00 95.69 O +ATOM 4566 CG ASP A 584 -28.854 3.907 25.358 1.00 95.69 C +ATOM 4567 OD1 ASP A 584 -28.281 5.011 25.511 1.00 95.69 O +ATOM 4568 OD2 ASP A 584 -28.338 2.834 25.738 1.00 95.69 O +ATOM 4569 N CYS A 585 -32.957 5.387 23.110 1.00 95.56 N +ATOM 4570 CA CYS A 585 -33.984 5.211 22.067 1.00 95.56 C +ATOM 4571 C CYS A 585 -34.567 6.482 21.408 1.00 95.56 C +ATOM 4572 CB CYS A 585 -35.113 4.325 22.603 1.00 95.56 C +ATOM 4573 O CYS A 585 -35.278 6.362 20.399 1.00 95.56 O +ATOM 4574 SG CYS A 585 -34.698 2.577 22.786 1.00 95.56 S +ATOM 4575 N LEU A 586 -34.311 7.680 21.937 1.00 92.19 N +ATOM 4576 CA LEU A 586 -34.940 8.938 21.502 1.00 92.19 C +ATOM 4577 C LEU A 586 -34.451 9.430 20.128 1.00 92.19 C +ATOM 4578 CB LEU A 586 -34.759 9.963 22.636 1.00 92.19 C +ATOM 4579 O LEU A 586 -33.284 9.290 19.763 1.00 92.19 O +ATOM 4580 CG LEU A 586 -35.220 11.414 22.425 1.00 92.19 C +ATOM 4581 CD1 LEU A 586 -35.803 11.949 23.733 1.00 92.19 C +ATOM 4582 CD2 LEU A 586 -34.035 12.309 22.049 1.00 92.19 C +ATOM 4583 N ARG A 587 -35.370 10.043 19.367 1.00 90.31 N +ATOM 4584 CA ARG A 587 -35.146 10.634 18.032 1.00 90.31 C +ATOM 4585 C ARG A 587 -35.458 12.137 17.995 1.00 90.31 C +ATOM 4586 CB ARG A 587 -35.968 9.882 16.976 1.00 90.31 C +ATOM 4587 O ARG A 587 -36.080 12.622 17.056 1.00 90.31 O +ATOM 4588 CG ARG A 587 -35.493 8.455 16.698 1.00 90.31 C +ATOM 4589 CD ARG A 587 -36.411 7.915 15.598 1.00 90.31 C +ATOM 4590 NE ARG A 587 -35.936 6.640 15.036 1.00 90.31 N +ATOM 4591 NH1 ARG A 587 -37.744 6.309 13.666 1.00 90.31 N +ATOM 4592 NH2 ARG A 587 -36.058 4.849 13.634 1.00 90.31 N +ATOM 4593 CZ ARG A 587 -36.578 5.940 14.120 1.00 90.31 C +ATOM 4594 N GLY A 588 -35.044 12.860 19.028 1.00 88.69 N +ATOM 4595 CA GLY A 588 -35.352 14.277 19.207 1.00 88.69 C +ATOM 4596 C GLY A 588 -34.129 15.135 19.523 1.00 88.69 C +ATOM 4597 O GLY A 588 -33.002 14.787 19.172 1.00 88.69 O +ATOM 4598 N SER A 589 -34.349 16.289 20.153 1.00 91.56 N +ATOM 4599 CA SER A 589 -33.299 17.291 20.381 1.00 91.56 C +ATOM 4600 C SER A 589 -32.598 17.113 21.727 1.00 91.56 C +ATOM 4601 CB SER A 589 -33.870 18.708 20.272 1.00 91.56 C +ATOM 4602 O SER A 589 -33.257 17.086 22.768 1.00 91.56 O +ATOM 4603 OG SER A 589 -34.871 18.924 21.248 1.00 91.56 O +ATOM 4604 N ILE A 590 -31.267 17.103 21.719 1.00 94.69 N +ATOM 4605 CA ILE A 590 -30.442 17.135 22.930 1.00 94.69 C +ATOM 4606 C ILE A 590 -29.901 18.563 23.100 1.00 94.69 C +ATOM 4607 CB ILE A 590 -29.327 16.068 22.862 1.00 94.69 C +ATOM 4608 O ILE A 590 -29.370 19.161 22.163 1.00 94.69 O +ATOM 4609 CG1 ILE A 590 -29.842 14.641 22.540 1.00 94.69 C +ATOM 4610 CG2 ILE A 590 -28.549 16.037 24.192 1.00 94.69 C +ATOM 4611 CD1 ILE A 590 -28.782 13.792 21.822 1.00 94.69 C +ATOM 4612 N VAL A 591 -30.077 19.135 24.288 1.00 92.00 N +ATOM 4613 CA VAL A 591 -29.702 20.509 24.645 1.00 92.00 C +ATOM 4614 C VAL A 591 -28.500 20.467 25.586 1.00 92.00 C +ATOM 4615 CB VAL A 591 -30.898 21.244 25.286 1.00 92.00 C +ATOM 4616 O VAL A 591 -28.480 19.685 26.530 1.00 92.00 O +ATOM 4617 CG1 VAL A 591 -30.557 22.704 25.618 1.00 92.00 C +ATOM 4618 CG2 VAL A 591 -32.125 21.258 24.360 1.00 92.00 C +ATOM 4619 N GLY A 592 -27.497 21.312 25.347 1.00 90.81 N +ATOM 4620 CA GLY A 592 -26.234 21.301 26.097 1.00 90.81 C +ATOM 4621 C GLY A 592 -25.117 20.541 25.376 1.00 90.81 C +ATOM 4622 O GLY A 592 -25.230 20.231 24.188 1.00 90.81 O +ATOM 4623 N GLY A 593 -24.005 20.285 26.070 1.00 89.69 N +ATOM 4624 CA GLY A 593 -22.831 19.633 25.482 1.00 89.69 C +ATOM 4625 C GLY A 593 -23.055 18.131 25.325 1.00 89.69 C +ATOM 4626 O GLY A 593 -23.237 17.442 26.324 1.00 89.69 O +ATOM 4627 N HIS A 594 -23.053 17.618 24.095 1.00 94.62 N +ATOM 4628 CA HIS A 594 -23.352 16.213 23.814 1.00 94.62 C +ATOM 4629 C HIS A 594 -22.757 15.733 22.480 1.00 94.62 C +ATOM 4630 CB HIS A 594 -24.880 16.013 23.821 1.00 94.62 C +ATOM 4631 O HIS A 594 -22.317 16.534 21.657 1.00 94.62 O +ATOM 4632 CG HIS A 594 -25.579 16.654 22.647 1.00 94.62 C +ATOM 4633 CD2 HIS A 594 -25.942 16.031 21.483 1.00 94.62 C +ATOM 4634 ND1 HIS A 594 -25.952 17.974 22.533 1.00 94.62 N +ATOM 4635 CE1 HIS A 594 -26.533 18.136 21.334 1.00 94.62 C +ATOM 4636 NE2 HIS A 594 -26.546 16.980 20.651 1.00 94.62 N +ATOM 4637 N GLU A 595 -22.803 14.419 22.276 1.00 92.94 N +ATOM 4638 CA GLU A 595 -22.553 13.702 21.024 1.00 92.94 C +ATOM 4639 C GLU A 595 -23.755 12.757 20.787 1.00 92.94 C +ATOM 4640 CB GLU A 595 -21.238 12.917 21.166 1.00 92.94 C +ATOM 4641 O GLU A 595 -24.070 11.960 21.681 1.00 92.94 O +ATOM 4642 CG GLU A 595 -20.676 12.379 19.845 1.00 92.94 C +ATOM 4643 CD GLU A 595 -19.418 11.514 20.056 1.00 92.94 C +ATOM 4644 OE1 GLU A 595 -18.666 11.282 19.089 1.00 92.94 O +ATOM 4645 OE2 GLU A 595 -19.216 10.919 21.139 1.00 92.94 O +ATOM 4646 N PRO A 596 -24.484 12.845 19.658 1.00 91.31 N +ATOM 4647 CA PRO A 596 -25.610 11.950 19.366 1.00 91.31 C +ATOM 4648 C PRO A 596 -25.174 10.500 19.112 1.00 91.31 C +ATOM 4649 CB PRO A 596 -26.308 12.535 18.132 1.00 91.31 C +ATOM 4650 O PRO A 596 -24.065 10.246 18.648 1.00 91.31 O +ATOM 4651 CG PRO A 596 -25.849 13.991 18.105 1.00 91.31 C +ATOM 4652 CD PRO A 596 -24.432 13.907 18.666 1.00 91.31 C +ATOM 4653 N GLY A 597 -26.057 9.541 19.388 1.00 86.06 N +ATOM 4654 CA GLY A 597 -25.857 8.132 19.041 1.00 86.06 C +ATOM 4655 C GLY A 597 -26.189 7.813 17.585 1.00 86.06 C +ATOM 4656 O GLY A 597 -27.155 8.328 17.022 1.00 86.06 O +ATOM 4657 N GLU A 598 -25.411 6.912 16.985 1.00 86.50 N +ATOM 4658 CA GLU A 598 -25.729 6.280 15.705 1.00 86.50 C +ATOM 4659 C GLU A 598 -26.284 4.869 15.981 1.00 86.50 C +ATOM 4660 CB GLU A 598 -24.501 6.246 14.775 1.00 86.50 C +ATOM 4661 O GLU A 598 -25.538 4.020 16.467 1.00 86.50 O +ATOM 4662 CG GLU A 598 -24.109 7.654 14.279 1.00 86.50 C +ATOM 4663 CD GLU A 598 -23.235 7.649 13.009 1.00 86.50 C +ATOM 4664 OE1 GLU A 598 -22.337 8.509 12.898 1.00 86.50 O +ATOM 4665 OE2 GLU A 598 -23.504 6.829 12.097 1.00 86.50 O +ATOM 4666 N PRO A 599 -27.578 4.582 15.716 1.00 85.19 N +ATOM 4667 CA PRO A 599 -28.513 5.351 14.886 1.00 85.19 C +ATOM 4668 C PRO A 599 -29.411 6.362 15.629 1.00 85.19 C +ATOM 4669 CB PRO A 599 -29.371 4.262 14.231 1.00 85.19 C +ATOM 4670 O PRO A 599 -30.208 7.029 14.964 1.00 85.19 O +ATOM 4671 CG PRO A 599 -29.511 3.226 15.346 1.00 85.19 C +ATOM 4672 CD PRO A 599 -28.135 3.266 16.007 1.00 85.19 C +ATOM 4673 N ARG A 600 -29.400 6.401 16.970 1.00 90.56 N +ATOM 4674 CA ARG A 600 -30.207 7.318 17.806 1.00 90.56 C +ATOM 4675 C ARG A 600 -29.664 7.386 19.248 1.00 90.56 C +ATOM 4676 CB ARG A 600 -31.679 6.870 17.761 1.00 90.56 C +ATOM 4677 O ARG A 600 -28.727 6.659 19.558 1.00 90.56 O +ATOM 4678 CG ARG A 600 -31.935 5.598 18.573 1.00 90.56 C +ATOM 4679 CD ARG A 600 -33.357 5.092 18.363 1.00 90.56 C +ATOM 4680 NE ARG A 600 -33.510 4.315 17.122 1.00 90.56 N +ATOM 4681 NH1 ARG A 600 -35.730 3.882 17.457 1.00 90.56 N +ATOM 4682 NH2 ARG A 600 -34.612 2.793 15.847 1.00 90.56 N +ATOM 4683 CZ ARG A 600 -34.614 3.667 16.815 1.00 90.56 C +ATOM 4684 N GLY A 601 -30.275 8.200 20.116 1.00 91.19 N +ATOM 4685 CA GLY A 601 -29.894 8.321 21.533 1.00 91.19 C +ATOM 4686 C GLY A 601 -28.735 9.295 21.806 1.00 91.19 C +ATOM 4687 O GLY A 601 -28.380 10.111 20.952 1.00 91.19 O +ATOM 4688 N ILE A 602 -28.155 9.221 23.007 1.00 94.81 N +ATOM 4689 CA ILE A 602 -27.036 10.042 23.498 1.00 94.81 C +ATOM 4690 C ILE A 602 -25.782 9.165 23.576 1.00 94.81 C +ATOM 4691 CB ILE A 602 -27.358 10.660 24.885 1.00 94.81 C +ATOM 4692 O ILE A 602 -25.641 8.345 24.480 1.00 94.81 O +ATOM 4693 CG1 ILE A 602 -28.650 11.508 24.863 1.00 94.81 C +ATOM 4694 CG2 ILE A 602 -26.169 11.517 25.372 1.00 94.81 C +ATOM 4695 CD1 ILE A 602 -29.089 12.008 26.245 1.00 94.81 C +ATOM 4696 N LYS A 603 -24.821 9.374 22.671 1.00 95.00 N +ATOM 4697 CA LYS A 603 -23.534 8.662 22.695 1.00 95.00 C +ATOM 4698 C LYS A 603 -22.633 9.153 23.823 1.00 95.00 C +ATOM 4699 CB LYS A 603 -22.844 8.848 21.341 1.00 95.00 C +ATOM 4700 O LYS A 603 -21.965 8.353 24.476 1.00 95.00 O +ATOM 4701 CG LYS A 603 -21.590 7.992 21.195 1.00 95.00 C +ATOM 4702 CD LYS A 603 -20.948 8.217 19.826 1.00 95.00 C +ATOM 4703 CE LYS A 603 -19.524 7.649 19.826 1.00 95.00 C +ATOM 4704 NZ LYS A 603 -18.559 8.652 19.339 1.00 95.00 N +ATOM 4705 N ALA A 604 -22.600 10.468 24.026 1.00 95.31 N +ATOM 4706 CA ALA A 604 -21.846 11.128 25.082 1.00 95.31 C +ATOM 4707 C ALA A 604 -22.538 12.424 25.519 1.00 95.31 C +ATOM 4708 CB ALA A 604 -20.414 11.388 24.594 1.00 95.31 C +ATOM 4709 O ALA A 604 -23.236 13.067 24.735 1.00 95.31 O +ATOM 4710 N GLY A 605 -22.320 12.831 26.768 1.00 93.31 N +ATOM 4711 CA GLY A 605 -22.961 14.002 27.363 1.00 93.31 C +ATOM 4712 C GLY A 605 -22.051 14.733 28.343 1.00 93.31 C +ATOM 4713 O GLY A 605 -21.113 14.149 28.886 1.00 93.31 O +ATOM 4714 N TYR A 606 -22.307 16.023 28.551 1.00 94.25 N +ATOM 4715 CA TYR A 606 -21.586 16.862 29.504 1.00 94.25 C +ATOM 4716 C TYR A 606 -22.337 16.957 30.833 1.00 94.25 C +ATOM 4717 CB TYR A 606 -21.350 18.255 28.900 1.00 94.25 C +ATOM 4718 O TYR A 606 -23.449 17.474 30.888 1.00 94.25 O +ATOM 4719 CG TYR A 606 -20.547 19.215 29.764 1.00 94.25 C +ATOM 4720 CD1 TYR A 606 -20.949 20.560 29.884 1.00 94.25 C +ATOM 4721 CD2 TYR A 606 -19.392 18.775 30.440 1.00 94.25 C +ATOM 4722 CE1 TYR A 606 -20.196 21.456 30.669 1.00 94.25 C +ATOM 4723 CE2 TYR A 606 -18.640 19.661 31.232 1.00 94.25 C +ATOM 4724 OH TYR A 606 -18.328 21.868 32.114 1.00 94.25 O +ATOM 4725 CZ TYR A 606 -19.043 21.007 31.346 1.00 94.25 C +ATOM 4726 N GLY A 607 -21.708 16.496 31.916 1.00 92.19 N +ATOM 4727 CA GLY A 607 -22.284 16.565 33.259 1.00 92.19 C +ATOM 4728 C GLY A 607 -23.392 15.534 33.478 1.00 92.19 C +ATOM 4729 O GLY A 607 -23.153 14.327 33.367 1.00 92.19 O +ATOM 4730 N THR A 608 -24.582 16.015 33.829 1.00 95.25 N +ATOM 4731 CA THR A 608 -25.769 15.195 34.083 1.00 95.25 C +ATOM 4732 C THR A 608 -26.742 15.323 32.922 1.00 95.25 C +ATOM 4733 CB THR A 608 -26.436 15.605 35.401 1.00 95.25 C +ATOM 4734 O THR A 608 -27.147 16.433 32.581 1.00 95.25 O +ATOM 4735 CG2 THR A 608 -27.703 14.808 35.690 1.00 95.25 C +ATOM 4736 OG1 THR A 608 -25.559 15.365 36.482 1.00 95.25 O +ATOM 4737 N CYS A 609 -27.142 14.187 32.347 1.00 96.44 N +ATOM 4738 CA CYS A 609 -28.134 14.131 31.281 1.00 96.44 C +ATOM 4739 C CYS A 609 -29.474 13.590 31.793 1.00 96.44 C +ATOM 4740 CB CYS A 609 -27.618 13.313 30.098 1.00 96.44 C +ATOM 4741 O CYS A 609 -29.540 12.453 32.269 1.00 96.44 O +ATOM 4742 SG CYS A 609 -26.126 13.943 29.284 1.00 96.44 S +ATOM 4743 N ASN A 610 -30.538 14.381 31.647 1.00 96.25 N +ATOM 4744 CA ASN A 610 -31.922 13.976 31.895 1.00 96.25 C +ATOM 4745 C ASN A 610 -32.784 14.180 30.632 1.00 96.25 C +ATOM 4746 CB ASN A 610 -32.455 14.664 33.172 1.00 96.25 C +ATOM 4747 O ASN A 610 -32.477 15.011 29.776 1.00 96.25 O +ATOM 4748 CG ASN A 610 -32.758 16.145 33.045 1.00 96.25 C +ATOM 4749 ND2 ASN A 610 -33.809 16.606 33.683 1.00 96.25 N +ATOM 4750 OD1 ASN A 610 -32.061 16.917 32.417 1.00 96.25 O +ATOM 4751 N CYS A 611 -33.853 13.398 30.487 1.00 96.88 N +ATOM 4752 CA CYS A 611 -34.693 13.360 29.290 1.00 96.88 C +ATOM 4753 C CYS A 611 -36.185 13.416 29.629 1.00 96.88 C +ATOM 4754 CB CYS A 611 -34.391 12.101 28.470 1.00 96.88 C +ATOM 4755 O CYS A 611 -36.679 12.689 30.490 1.00 96.88 O +ATOM 4756 SG CYS A 611 -32.751 11.973 27.707 1.00 96.88 S +ATOM 4757 N PHE A 612 -36.909 14.226 28.862 1.00 96.25 N +ATOM 4758 CA PHE A 612 -38.358 14.359 28.869 1.00 96.25 C +ATOM 4759 C PHE A 612 -38.910 13.667 27.609 1.00 96.25 C +ATOM 4760 CB PHE A 612 -38.721 15.850 28.952 1.00 96.25 C +ATOM 4761 O PHE A 612 -38.989 14.300 26.551 1.00 96.25 O +ATOM 4762 CG PHE A 612 -38.219 16.514 30.221 1.00 96.25 C +ATOM 4763 CD1 PHE A 612 -38.996 16.479 31.394 1.00 96.25 C +ATOM 4764 CD2 PHE A 612 -36.952 17.129 30.241 1.00 96.25 C +ATOM 4765 CE1 PHE A 612 -38.511 17.063 32.578 1.00 96.25 C +ATOM 4766 CE2 PHE A 612 -36.466 17.711 31.426 1.00 96.25 C +ATOM 4767 CZ PHE A 612 -37.246 17.677 32.595 1.00 96.25 C +ATOM 4768 N PRO A 613 -39.258 12.363 27.678 1.00 93.88 N +ATOM 4769 CA PRO A 613 -39.725 11.601 26.515 1.00 93.88 C +ATOM 4770 C PRO A 613 -40.982 12.197 25.867 1.00 93.88 C +ATOM 4771 CB PRO A 613 -39.977 10.174 27.025 1.00 93.88 C +ATOM 4772 O PRO A 613 -41.127 12.119 24.653 1.00 93.88 O +ATOM 4773 CG PRO A 613 -40.118 10.325 28.537 1.00 93.88 C +ATOM 4774 CD PRO A 613 -39.203 11.500 28.851 1.00 93.88 C +ATOM 4775 N GLU A 614 -41.850 12.845 26.651 1.00 92.38 N +ATOM 4776 CA GLU A 614 -43.074 13.507 26.172 1.00 92.38 C +ATOM 4777 C GLU A 614 -42.806 14.713 25.249 1.00 92.38 C +ATOM 4778 CB GLU A 614 -43.915 13.963 27.381 1.00 92.38 C +ATOM 4779 O GLU A 614 -43.643 15.037 24.410 1.00 92.38 O +ATOM 4780 CG GLU A 614 -44.335 12.804 28.306 1.00 92.38 C +ATOM 4781 CD GLU A 614 -45.238 13.233 29.479 1.00 92.38 C +ATOM 4782 OE1 GLU A 614 -45.593 12.337 30.280 1.00 92.38 O +ATOM 4783 OE2 GLU A 614 -45.577 14.434 29.580 1.00 92.38 O +ATOM 4784 N GLU A 615 -41.639 15.359 25.369 1.00 92.81 N +ATOM 4785 CA GLU A 615 -41.203 16.461 24.494 1.00 92.81 C +ATOM 4786 C GLU A 615 -40.178 16.027 23.430 1.00 92.81 C +ATOM 4787 CB GLU A 615 -40.596 17.609 25.325 1.00 92.81 C +ATOM 4788 O GLU A 615 -39.676 16.874 22.688 1.00 92.81 O +ATOM 4789 CG GLU A 615 -41.585 18.364 26.227 1.00 92.81 C +ATOM 4790 CD GLU A 615 -41.013 19.705 26.736 1.00 92.81 C +ATOM 4791 OE1 GLU A 615 -41.657 20.334 27.600 1.00 92.81 O +ATOM 4792 OE2 GLU A 615 -39.962 20.165 26.216 1.00 92.81 O +ATOM 4793 N GLU A 616 -39.799 14.743 23.399 1.00 92.81 N +ATOM 4794 CA GLU A 616 -38.629 14.236 22.664 1.00 92.81 C +ATOM 4795 C GLU A 616 -37.365 15.098 22.902 1.00 92.81 C +ATOM 4796 CB GLU A 616 -38.946 13.991 21.174 1.00 92.81 C +ATOM 4797 O GLU A 616 -36.603 15.407 21.981 1.00 92.81 O +ATOM 4798 CG GLU A 616 -40.104 13.003 20.954 1.00 92.81 C +ATOM 4799 CD GLU A 616 -40.247 12.589 19.478 1.00 92.81 C +ATOM 4800 OE1 GLU A 616 -40.454 11.377 19.227 1.00 92.81 O +ATOM 4801 OE2 GLU A 616 -40.132 13.468 18.593 1.00 92.81 O +ATOM 4802 N LYS A 617 -37.125 15.507 24.158 1.00 95.19 N +ATOM 4803 CA LYS A 617 -36.031 16.423 24.514 1.00 95.19 C +ATOM 4804 C LYS A 617 -35.176 15.909 25.666 1.00 95.19 C +ATOM 4805 CB LYS A 617 -36.622 17.806 24.807 1.00 95.19 C +ATOM 4806 O LYS A 617 -35.705 15.478 26.686 1.00 95.19 O +ATOM 4807 CG LYS A 617 -35.546 18.906 24.866 1.00 95.19 C +ATOM 4808 CD LYS A 617 -36.168 20.283 25.121 1.00 95.19 C +ATOM 4809 CE LYS A 617 -37.070 20.735 23.964 1.00 95.19 C +ATOM 4810 NZ LYS A 617 -38.345 21.294 24.473 1.00 95.19 N +ATOM 4811 N CYS A 618 -33.860 16.031 25.534 1.00 96.75 N +ATOM 4812 CA CYS A 618 -32.904 15.782 26.612 1.00 96.75 C +ATOM 4813 C CYS A 618 -32.070 17.032 26.905 1.00 96.75 C +ATOM 4814 CB CYS A 618 -32.021 14.583 26.255 1.00 96.75 C +ATOM 4815 O CYS A 618 -31.851 17.852 26.014 1.00 96.75 O +ATOM 4816 SG CYS A 618 -32.886 13.016 25.955 1.00 96.75 S +ATOM 4817 N PHE A 619 -31.581 17.159 28.134 1.00 96.62 N +ATOM 4818 CA PHE A 619 -30.688 18.226 28.581 1.00 96.62 C +ATOM 4819 C PHE A 619 -29.447 17.595 29.212 1.00 96.62 C +ATOM 4820 CB PHE A 619 -31.412 19.134 29.586 1.00 96.62 C +ATOM 4821 O PHE A 619 -29.592 16.717 30.055 1.00 96.62 O +ATOM 4822 CG PHE A 619 -32.632 19.854 29.042 1.00 96.62 C +ATOM 4823 CD1 PHE A 619 -32.521 21.178 28.579 1.00 96.62 C +ATOM 4824 CD2 PHE A 619 -33.888 19.217 29.037 1.00 96.62 C +ATOM 4825 CE1 PHE A 619 -33.658 21.864 28.116 1.00 96.62 C +ATOM 4826 CE2 PHE A 619 -35.028 19.904 28.580 1.00 96.62 C +ATOM 4827 CZ PHE A 619 -34.913 21.230 28.128 1.00 96.62 C +ATOM 4828 N CYS A 620 -28.252 18.025 28.806 1.00 95.75 N +ATOM 4829 CA CYS A 620 -26.960 17.587 29.338 1.00 95.75 C +ATOM 4830 C CYS A 620 -26.175 18.805 29.842 1.00 95.75 C +ATOM 4831 CB CYS A 620 -26.177 16.838 28.255 1.00 95.75 C +ATOM 4832 O CYS A 620 -25.607 19.567 29.049 1.00 95.75 O +ATOM 4833 SG CYS A 620 -26.779 15.189 27.798 1.00 95.75 S +ATOM 4834 N GLU A 621 -26.167 18.997 31.160 1.00 91.81 N +ATOM 4835 CA GLU A 621 -25.544 20.145 31.822 1.00 91.81 C +ATOM 4836 C GLU A 621 -24.897 19.760 33.170 1.00 91.81 C +ATOM 4837 CB GLU A 621 -26.568 21.293 31.956 1.00 91.81 C +ATOM 4838 O GLU A 621 -25.354 18.829 33.843 1.00 91.81 O +ATOM 4839 CG GLU A 621 -27.828 20.938 32.768 1.00 91.81 C +ATOM 4840 CD GLU A 621 -28.900 22.043 32.781 1.00 91.81 C +ATOM 4841 OE1 GLU A 621 -29.827 21.899 33.617 1.00 91.81 O +ATOM 4842 OE2 GLU A 621 -28.816 23.004 31.988 1.00 91.81 O +ATOM 4843 N PRO A 622 -23.820 20.447 33.597 1.00 87.31 N +ATOM 4844 CA PRO A 622 -23.275 20.298 34.946 1.00 87.31 C +ATOM 4845 C PRO A 622 -24.239 20.880 35.998 1.00 87.31 C +ATOM 4846 CB PRO A 622 -21.929 21.029 34.909 1.00 87.31 C +ATOM 4847 O PRO A 622 -25.096 21.705 35.685 1.00 87.31 O +ATOM 4848 CG PRO A 622 -22.169 22.145 33.892 1.00 87.31 C +ATOM 4849 CD PRO A 622 -23.106 21.492 32.876 1.00 87.31 C +ATOM 4850 N GLU A 623 -24.106 20.472 37.264 1.00 74.25 N +ATOM 4851 CA GLU A 623 -24.828 21.135 38.360 1.00 74.25 C +ATOM 4852 C GLU A 623 -24.132 22.449 38.756 1.00 74.25 C +ATOM 4853 CB GLU A 623 -25.011 20.211 39.582 1.00 74.25 C +ATOM 4854 O GLU A 623 -22.956 22.447 39.120 1.00 74.25 O +ATOM 4855 CG GLU A 623 -26.026 19.077 39.348 1.00 74.25 C +ATOM 4856 CD GLU A 623 -26.518 18.471 40.677 1.00 74.25 C +ATOM 4857 OE1 GLU A 623 -27.724 18.653 41.002 1.00 74.25 O +ATOM 4858 OE2 GLU A 623 -25.695 17.836 41.371 1.00 74.25 O +ATOM 4859 N ASP A 624 -24.872 23.563 38.715 1.00 59.69 N +ATOM 4860 CA ASP A 624 -24.398 24.874 39.171 1.00 59.69 C +ATOM 4861 C ASP A 624 -24.157 24.887 40.689 1.00 59.69 C +ATOM 4862 CB ASP A 624 -25.413 25.982 38.824 1.00 59.69 C +ATOM 4863 O ASP A 624 -25.089 24.783 41.493 1.00 59.69 O +ATOM 4864 CG ASP A 624 -25.342 26.512 37.389 1.00 59.69 C +ATOM 4865 OD1 ASP A 624 -24.235 26.507 36.807 1.00 59.69 O +ATOM 4866 OD2 ASP A 624 -26.400 26.991 36.923 1.00 59.69 O +ATOM 4867 N ILE A 625 -22.903 25.108 41.090 1.00 56.91 N +ATOM 4868 CA ILE A 625 -22.542 25.445 42.470 1.00 56.91 C +ATOM 4869 C ILE A 625 -22.810 26.946 42.664 1.00 56.91 C +ATOM 4870 CB ILE A 625 -21.080 25.038 42.782 1.00 56.91 C +ATOM 4871 O ILE A 625 -22.028 27.789 42.225 1.00 56.91 O +ATOM 4872 CG1 ILE A 625 -20.853 23.526 42.525 1.00 56.91 C +ATOM 4873 CG2 ILE A 625 -20.737 25.394 44.242 1.00 56.91 C +ATOM 4874 CD1 ILE A 625 -19.394 23.072 42.671 1.00 56.91 C +ATOM 4875 N GLN A 626 -23.938 27.292 43.290 1.00 46.00 N +ATOM 4876 CA GLN A 626 -24.302 28.684 43.577 1.00 46.00 C +ATOM 4877 C GLN A 626 -23.495 29.269 44.750 1.00 46.00 C +ATOM 4878 CB GLN A 626 -25.812 28.805 43.870 1.00 46.00 C +ATOM 4879 O GLN A 626 -23.880 29.105 45.907 1.00 46.00 O +ATOM 4880 CG GLN A 626 -26.692 28.754 42.614 1.00 46.00 C +ATOM 4881 CD GLN A 626 -28.171 28.996 42.924 1.00 46.00 C +ATOM 4882 NE2 GLN A 626 -28.949 29.427 41.955 1.00 46.00 N +ATOM 4883 OE1 GLN A 626 -28.675 28.806 44.018 1.00 46.00 O +ATOM 4884 N ASP A 627 -22.453 30.045 44.445 1.00 43.16 N +ATOM 4885 CA ASP A 627 -21.885 31.036 45.371 1.00 43.16 C +ATOM 4886 C ASP A 627 -22.546 32.420 45.142 1.00 43.16 C +ATOM 4887 CB ASP A 627 -20.356 31.122 45.220 1.00 43.16 C +ATOM 4888 O ASP A 627 -22.579 32.907 44.006 1.00 43.16 O +ATOM 4889 CG ASP A 627 -19.597 30.017 45.966 1.00 43.16 C +ATOM 4890 OD1 ASP A 627 -19.974 29.735 47.127 1.00 43.16 O +ATOM 4891 OD2 ASP A 627 -18.589 29.531 45.407 1.00 43.16 O +ATOM 4892 N PRO A 628 -23.093 33.091 46.177 1.00 45.09 N +ATOM 4893 CA PRO A 628 -23.894 34.304 45.994 1.00 45.09 C +ATOM 4894 C PRO A 628 -23.041 35.583 45.925 1.00 45.09 C +ATOM 4895 CB PRO A 628 -24.859 34.309 47.186 1.00 45.09 C +ATOM 4896 O PRO A 628 -22.445 35.996 46.920 1.00 45.09 O +ATOM 4897 CG PRO A 628 -24.051 33.638 48.299 1.00 45.09 C +ATOM 4898 CD PRO A 628 -23.204 32.611 47.548 1.00 45.09 C +ATOM 4899 N LEU A 629 -23.044 36.281 44.780 1.00 49.03 N +ATOM 4900 CA LEU A 629 -22.418 37.605 44.633 1.00 49.03 C +ATOM 4901 C LEU A 629 -23.361 38.684 44.057 1.00 49.03 C +ATOM 4902 CB LEU A 629 -21.098 37.517 43.836 1.00 49.03 C +ATOM 4903 O LEU A 629 -23.978 38.516 43.010 1.00 49.03 O +ATOM 4904 CG LEU A 629 -19.891 37.032 44.674 1.00 49.03 C +ATOM 4905 CD1 LEU A 629 -19.574 35.556 44.438 1.00 49.03 C +ATOM 4906 CD2 LEU A 629 -18.638 37.842 44.323 1.00 49.03 C +ATOM 4907 N CYS A 630 -23.339 39.844 44.726 1.00 61.66 N +ATOM 4908 CA CYS A 630 -24.075 41.096 44.485 1.00 61.66 C +ATOM 4909 C CYS A 630 -25.575 41.144 44.839 1.00 61.66 C +ATOM 4910 CB CYS A 630 -23.743 41.734 43.128 1.00 61.66 C +ATOM 4911 O CYS A 630 -26.449 40.683 44.110 1.00 61.66 O +ATOM 4912 SG CYS A 630 -22.496 43.051 43.262 1.00 61.66 S +ATOM 4913 N ASP A 631 -25.830 41.849 45.942 1.00 67.12 N +ATOM 4914 CA ASP A 631 -27.133 42.188 46.516 1.00 67.12 C +ATOM 4915 C ASP A 631 -27.908 43.242 45.688 1.00 67.12 C +ATOM 4916 CB ASP A 631 -26.846 42.682 47.950 1.00 67.12 C +ATOM 4917 O ASP A 631 -27.363 43.879 44.779 1.00 67.12 O +ATOM 4918 CG ASP A 631 -27.959 42.398 48.956 1.00 67.12 C +ATOM 4919 OD1 ASP A 631 -29.042 41.965 48.508 1.00 67.12 O +ATOM 4920 OD2 ASP A 631 -27.702 42.658 50.150 1.00 67.12 O +ATOM 4921 N GLU A 632 -29.178 43.488 46.005 1.00 71.00 N +ATOM 4922 CA GLU A 632 -30.079 44.304 45.167 1.00 71.00 C +ATOM 4923 C GLU A 632 -29.613 45.773 45.010 1.00 71.00 C +ATOM 4924 CB GLU A 632 -31.503 44.156 45.728 1.00 71.00 C +ATOM 4925 O GLU A 632 -29.734 46.380 43.938 1.00 71.00 O +ATOM 4926 CG GLU A 632 -32.596 44.459 44.694 1.00 71.00 C +ATOM 4927 CD GLU A 632 -33.910 43.719 45.005 1.00 71.00 C +ATOM 4928 OE1 GLU A 632 -34.541 43.263 44.024 1.00 71.00 O +ATOM 4929 OE2 GLU A 632 -34.270 43.626 46.199 1.00 71.00 O +ATOM 4930 N LEU A 633 -28.930 46.310 46.030 1.00 74.62 N +ATOM 4931 CA LEU A 633 -28.273 47.621 45.984 1.00 74.62 C +ATOM 4932 C LEU A 633 -27.151 47.683 44.924 1.00 74.62 C +ATOM 4933 CB LEU A 633 -27.745 47.946 47.396 1.00 74.62 C +ATOM 4934 O LEU A 633 -27.018 48.693 44.232 1.00 74.62 O +ATOM 4935 CG LEU A 633 -27.293 49.408 47.586 1.00 74.62 C +ATOM 4936 CD1 LEU A 633 -28.477 50.379 47.588 1.00 74.62 C +ATOM 4937 CD2 LEU A 633 -26.561 49.556 48.920 1.00 74.62 C +ATOM 4938 N CYS A 634 -26.393 46.598 44.723 1.00 75.00 N +ATOM 4939 CA CYS A 634 -25.329 46.525 43.712 1.00 75.00 C +ATOM 4940 C CYS A 634 -25.898 46.665 42.289 1.00 75.00 C +ATOM 4941 CB CYS A 634 -24.542 45.216 43.908 1.00 75.00 C +ATOM 4942 O CYS A 634 -25.373 47.444 41.487 1.00 75.00 O +ATOM 4943 SG CYS A 634 -23.405 44.748 42.576 1.00 75.00 S +ATOM 4944 N ARG A 635 -27.028 46.004 41.990 1.00 77.88 N +ATOM 4945 CA ARG A 635 -27.714 46.144 40.690 1.00 77.88 C +ATOM 4946 C ARG A 635 -28.157 47.583 40.423 1.00 77.88 C +ATOM 4947 CB ARG A 635 -28.916 45.192 40.597 1.00 77.88 C +ATOM 4948 O ARG A 635 -27.944 48.083 39.319 1.00 77.88 O +ATOM 4949 CG ARG A 635 -28.494 43.740 40.335 1.00 77.88 C +ATOM 4950 CD ARG A 635 -29.739 42.857 40.174 1.00 77.88 C +ATOM 4951 NE ARG A 635 -29.385 41.483 39.768 1.00 77.88 N +ATOM 4952 NH1 ARG A 635 -31.492 40.575 39.923 1.00 77.88 N +ATOM 4953 NH2 ARG A 635 -29.782 39.294 39.283 1.00 77.88 N +ATOM 4954 CZ ARG A 635 -30.219 40.463 39.658 1.00 77.88 C +ATOM 4955 N THR A 636 -28.728 48.264 41.420 1.00 81.75 N +ATOM 4956 CA THR A 636 -29.184 49.658 41.247 1.00 81.75 C +ATOM 4957 C THR A 636 -28.031 50.642 41.026 1.00 81.75 C +ATOM 4958 CB THR A 636 -30.081 50.141 42.396 1.00 81.75 C +ATOM 4959 O THR A 636 -28.138 51.508 40.157 1.00 81.75 O +ATOM 4960 CG2 THR A 636 -31.363 49.320 42.518 1.00 81.75 C +ATOM 4961 OG1 THR A 636 -29.417 50.127 43.636 1.00 81.75 O +ATOM 4962 N VAL A 637 -26.897 50.472 41.720 1.00 84.69 N +ATOM 4963 CA VAL A 637 -25.692 51.298 41.520 1.00 84.69 C +ATOM 4964 C VAL A 637 -25.100 51.098 40.122 1.00 84.69 C +ATOM 4965 CB VAL A 637 -24.650 51.020 42.624 1.00 84.69 C +ATOM 4966 O VAL A 637 -24.789 52.081 39.449 1.00 84.69 O +ATOM 4967 CG1 VAL A 637 -23.299 51.699 42.360 1.00 84.69 C +ATOM 4968 CG2 VAL A 637 -25.155 51.540 43.977 1.00 84.69 C +ATOM 4969 N ILE A 638 -24.997 49.852 39.643 1.00 83.94 N +ATOM 4970 CA ILE A 638 -24.504 49.557 38.286 1.00 83.94 C +ATOM 4971 C ILE A 638 -25.438 50.165 37.229 1.00 83.94 C +ATOM 4972 CB ILE A 638 -24.299 48.034 38.100 1.00 83.94 C +ATOM 4973 O ILE A 638 -24.967 50.840 36.312 1.00 83.94 O +ATOM 4974 CG1 ILE A 638 -23.139 47.543 39.000 1.00 83.94 C +ATOM 4975 CG2 ILE A 638 -24.000 47.685 36.627 1.00 83.94 C +ATOM 4976 CD1 ILE A 638 -23.036 46.016 39.110 1.00 83.94 C +ATOM 4977 N ALA A 639 -26.757 50.000 37.373 1.00 86.38 N +ATOM 4978 CA ALA A 639 -27.734 50.575 36.446 1.00 86.38 C +ATOM 4979 C ALA A 639 -27.664 52.114 36.398 1.00 86.38 C +ATOM 4980 CB ALA A 639 -29.129 50.080 36.847 1.00 86.38 C +ATOM 4981 O ALA A 639 -27.662 52.699 35.312 1.00 86.38 O +ATOM 4982 N ALA A 640 -27.537 52.774 37.555 1.00 88.12 N +ATOM 4983 CA ALA A 640 -27.377 54.224 37.639 1.00 88.12 C +ATOM 4984 C ALA A 640 -26.063 54.707 36.996 1.00 88.12 C +ATOM 4985 CB ALA A 640 -27.474 54.637 39.112 1.00 88.12 C +ATOM 4986 O ALA A 640 -26.067 55.705 36.274 1.00 88.12 O +ATOM 4987 N ALA A 641 -24.955 53.985 37.195 1.00 88.44 N +ATOM 4988 CA ALA A 641 -23.663 54.308 36.588 1.00 88.44 C +ATOM 4989 C ALA A 641 -23.681 54.167 35.054 1.00 88.44 C +ATOM 4990 CB ALA A 641 -22.591 53.419 37.229 1.00 88.44 C +ATOM 4991 O ALA A 641 -23.175 55.043 34.348 1.00 88.44 O +ATOM 4992 N VAL A 642 -24.311 53.111 34.524 1.00 89.25 N +ATOM 4993 CA VAL A 642 -24.489 52.916 33.073 1.00 89.25 C +ATOM 4994 C VAL A 642 -25.377 54.012 32.477 1.00 89.25 C +ATOM 4995 CB VAL A 642 -25.040 51.507 32.769 1.00 89.25 C +ATOM 4996 O VAL A 642 -25.020 54.591 31.450 1.00 89.25 O +ATOM 4997 CG1 VAL A 642 -25.397 51.320 31.287 1.00 89.25 C +ATOM 4998 CG2 VAL A 642 -23.997 50.433 33.111 1.00 89.25 C +ATOM 4999 N LEU A 643 -26.487 54.361 33.138 1.00 91.50 N +ATOM 5000 CA LEU A 643 -27.375 55.438 32.692 1.00 91.50 C +ATOM 5001 C LEU A 643 -26.668 56.804 32.697 1.00 91.50 C +ATOM 5002 CB LEU A 643 -28.633 55.437 33.581 1.00 91.50 C +ATOM 5003 O LEU A 643 -26.785 57.560 31.734 1.00 91.50 O +ATOM 5004 CG LEU A 643 -29.718 56.436 33.135 1.00 91.50 C +ATOM 5005 CD1 LEU A 643 -30.333 56.058 31.785 1.00 91.50 C +ATOM 5006 CD2 LEU A 643 -30.837 56.481 34.174 1.00 91.50 C +ATOM 5007 N PHE A 644 -25.889 57.106 33.740 1.00 91.38 N +ATOM 5008 CA PHE A 644 -25.104 58.339 33.819 1.00 91.38 C +ATOM 5009 C PHE A 644 -24.024 58.397 32.728 1.00 91.38 C +ATOM 5010 CB PHE A 644 -24.503 58.469 35.225 1.00 91.38 C +ATOM 5011 O PHE A 644 -23.893 59.417 32.054 1.00 91.38 O +ATOM 5012 CG PHE A 644 -23.845 59.811 35.480 1.00 91.38 C +ATOM 5013 CD1 PHE A 644 -22.451 59.962 35.343 1.00 91.38 C +ATOM 5014 CD2 PHE A 644 -24.633 60.918 35.848 1.00 91.38 C +ATOM 5015 CE1 PHE A 644 -21.851 61.212 35.579 1.00 91.38 C +ATOM 5016 CE2 PHE A 644 -24.033 62.168 36.080 1.00 91.38 C +ATOM 5017 CZ PHE A 644 -22.642 62.315 35.946 1.00 91.38 C +ATOM 5018 N SER A 645 -23.311 57.291 32.487 1.00 90.31 N +ATOM 5019 CA SER A 645 -22.332 57.172 31.397 1.00 90.31 C +ATOM 5020 C SER A 645 -22.968 57.411 30.021 1.00 90.31 C +ATOM 5021 CB SER A 645 -21.680 55.787 31.457 1.00 90.31 C +ATOM 5022 O SER A 645 -22.439 58.178 29.214 1.00 90.31 O +ATOM 5023 OG SER A 645 -20.646 55.685 30.500 1.00 90.31 O +ATOM 5024 N PHE A 646 -24.155 56.844 29.775 1.00 91.38 N +ATOM 5025 CA PHE A 646 -24.915 57.071 28.545 1.00 91.38 C +ATOM 5026 C PHE A 646 -25.332 58.542 28.382 1.00 91.38 C +ATOM 5027 CB PHE A 646 -26.126 56.129 28.521 1.00 91.38 C +ATOM 5028 O PHE A 646 -25.100 59.130 27.326 1.00 91.38 O +ATOM 5029 CG PHE A 646 -26.939 56.220 27.245 1.00 91.38 C +ATOM 5030 CD1 PHE A 646 -28.134 56.964 27.213 1.00 91.38 C +ATOM 5031 CD2 PHE A 646 -26.487 55.575 26.078 1.00 91.38 C +ATOM 5032 CE1 PHE A 646 -28.875 57.058 26.021 1.00 91.38 C +ATOM 5033 CE2 PHE A 646 -27.227 55.670 24.886 1.00 91.38 C +ATOM 5034 CZ PHE A 646 -28.421 56.411 24.858 1.00 91.38 C +ATOM 5035 N ILE A 647 -25.869 59.175 29.433 1.00 92.31 N +ATOM 5036 CA ILE A 647 -26.247 60.599 29.413 1.00 92.31 C +ATOM 5037 C ILE A 647 -25.025 61.491 29.151 1.00 92.31 C +ATOM 5038 CB ILE A 647 -26.981 60.979 30.723 1.00 92.31 C +ATOM 5039 O ILE A 647 -25.093 62.384 28.307 1.00 92.31 O +ATOM 5040 CG1 ILE A 647 -28.367 60.293 30.773 1.00 92.31 C +ATOM 5041 CG2 ILE A 647 -27.154 62.507 30.855 1.00 92.31 C +ATOM 5042 CD1 ILE A 647 -29.015 60.310 32.164 1.00 92.31 C +ATOM 5043 N VAL A 648 -23.892 61.235 29.814 1.00 90.06 N +ATOM 5044 CA VAL A 648 -22.637 61.974 29.590 1.00 90.06 C +ATOM 5045 C VAL A 648 -22.133 61.781 28.158 1.00 90.06 C +ATOM 5046 CB VAL A 648 -21.574 61.574 30.633 1.00 90.06 C +ATOM 5047 O VAL A 648 -21.745 62.759 27.522 1.00 90.06 O +ATOM 5048 CG1 VAL A 648 -20.176 62.120 30.309 1.00 90.06 C +ATOM 5049 CG2 VAL A 648 -21.955 62.123 32.015 1.00 90.06 C +ATOM 5050 N SER A 649 -22.193 60.564 27.611 1.00 89.06 N +ATOM 5051 CA SER A 649 -21.819 60.284 26.218 1.00 89.06 C +ATOM 5052 C SER A 649 -22.699 61.049 25.220 1.00 89.06 C +ATOM 5053 CB SER A 649 -21.894 58.776 25.961 1.00 89.06 C +ATOM 5054 O SER A 649 -22.180 61.709 24.317 1.00 89.06 O +ATOM 5055 OG SER A 649 -21.330 58.464 24.704 1.00 89.06 O +ATOM 5056 N VAL A 650 -24.021 61.061 25.428 1.00 89.31 N +ATOM 5057 CA VAL A 650 -24.967 61.822 24.595 1.00 89.31 C +ATOM 5058 C VAL A 650 -24.704 63.328 24.697 1.00 89.31 C +ATOM 5059 CB VAL A 650 -26.427 61.466 24.946 1.00 89.31 C +ATOM 5060 O VAL A 650 -24.598 63.985 23.661 1.00 89.31 O +ATOM 5061 CG1 VAL A 650 -27.444 62.376 24.241 1.00 89.31 C +ATOM 5062 CG2 VAL A 650 -26.748 60.027 24.518 1.00 89.31 C +ATOM 5063 N LEU A 651 -24.521 63.878 25.901 1.00 89.88 N +ATOM 5064 CA LEU A 651 -24.228 65.304 26.100 1.00 89.88 C +ATOM 5065 C LEU A 651 -22.881 65.720 25.492 1.00 89.88 C +ATOM 5066 CB LEU A 651 -24.269 65.641 27.601 1.00 89.88 C +ATOM 5067 O LEU A 651 -22.808 66.768 24.851 1.00 89.88 O +ATOM 5068 CG LEU A 651 -25.678 65.644 28.224 1.00 89.88 C +ATOM 5069 CD1 LEU A 651 -25.556 65.833 29.736 1.00 89.88 C +ATOM 5070 CD2 LEU A 651 -26.557 66.773 27.678 1.00 89.88 C +ATOM 5071 N LEU A 652 -21.836 64.898 25.626 1.00 87.69 N +ATOM 5072 CA LEU A 652 -20.546 65.128 24.970 1.00 87.69 C +ATOM 5073 C LEU A 652 -20.676 65.055 23.446 1.00 87.69 C +ATOM 5074 CB LEU A 652 -19.499 64.120 25.477 1.00 87.69 C +ATOM 5075 O LEU A 652 -20.133 65.915 22.760 1.00 87.69 O +ATOM 5076 CG LEU A 652 -18.973 64.404 26.897 1.00 87.69 C +ATOM 5077 CD1 LEU A 652 -18.097 63.236 27.352 1.00 87.69 C +ATOM 5078 CD2 LEU A 652 -18.121 65.675 26.957 1.00 87.69 C +ATOM 5079 N SER A 653 -21.438 64.099 22.904 1.00 85.56 N +ATOM 5080 CA SER A 653 -21.685 64.024 21.459 1.00 85.56 C +ATOM 5081 C SER A 653 -22.424 65.267 20.947 1.00 85.56 C +ATOM 5082 CB SER A 653 -22.407 62.721 21.083 1.00 85.56 C +ATOM 5083 O SER A 653 -21.996 65.867 19.964 1.00 85.56 O +ATOM 5084 OG SER A 653 -23.795 62.761 21.345 1.00 85.56 O +ATOM 5085 N ALA A 654 -23.452 65.732 21.664 1.00 83.62 N +ATOM 5086 CA ALA A 654 -24.204 66.937 21.331 1.00 83.62 C +ATOM 5087 C ALA A 654 -23.344 68.207 21.446 1.00 83.62 C +ATOM 5088 CB ALA A 654 -25.438 67.000 22.240 1.00 83.62 C +ATOM 5089 O ALA A 654 -23.439 69.091 20.595 1.00 83.62 O +ATOM 5090 N PHE A 655 -22.462 68.288 22.448 1.00 84.38 N +ATOM 5091 CA PHE A 655 -21.501 69.382 22.594 1.00 84.38 C +ATOM 5092 C PHE A 655 -20.461 69.377 21.467 1.00 84.38 C +ATOM 5093 CB PHE A 655 -20.839 69.306 23.975 1.00 84.38 C +ATOM 5094 O PHE A 655 -20.239 70.413 20.846 1.00 84.38 O +ATOM 5095 CG PHE A 655 -19.867 70.439 24.244 1.00 84.38 C +ATOM 5096 CD1 PHE A 655 -18.484 70.242 24.074 1.00 84.38 C +ATOM 5097 CD2 PHE A 655 -20.348 71.699 24.648 1.00 84.38 C +ATOM 5098 CE1 PHE A 655 -17.586 71.298 24.315 1.00 84.38 C +ATOM 5099 CE2 PHE A 655 -19.451 72.755 24.887 1.00 84.38 C +ATOM 5100 CZ PHE A 655 -18.069 72.554 24.722 1.00 84.38 C +ATOM 5101 N CYS A 656 -19.889 68.219 21.124 1.00 80.00 N +ATOM 5102 CA CYS A 656 -18.974 68.076 19.991 1.00 80.00 C +ATOM 5103 C CYS A 656 -19.647 68.455 18.664 1.00 80.00 C +ATOM 5104 CB CYS A 656 -18.425 66.644 19.954 1.00 80.00 C +ATOM 5105 O CYS A 656 -19.064 69.212 17.890 1.00 80.00 O +ATOM 5106 SG CYS A 656 -17.211 66.433 21.288 1.00 80.00 S +ATOM 5107 N ILE A 657 -20.887 68.014 18.428 1.00 78.31 N +ATOM 5108 CA ILE A 657 -21.696 68.397 17.259 1.00 78.31 C +ATOM 5109 C ILE A 657 -21.956 69.914 17.258 1.00 78.31 C +ATOM 5110 CB ILE A 657 -22.994 67.549 17.229 1.00 78.31 C +ATOM 5111 O ILE A 657 -21.755 70.568 16.234 1.00 78.31 O +ATOM 5112 CG1 ILE A 657 -22.661 66.079 16.874 1.00 78.31 C +ATOM 5113 CG2 ILE A 657 -24.032 68.082 16.223 1.00 78.31 C +ATOM 5114 CD1 ILE A 657 -23.797 65.092 17.182 1.00 78.31 C +ATOM 5115 N HIS A 658 -22.318 70.515 18.396 1.00 76.38 N +ATOM 5116 CA HIS A 658 -22.515 71.964 18.499 1.00 76.38 C +ATOM 5117 C HIS A 658 -21.211 72.738 18.233 1.00 76.38 C +ATOM 5118 CB HIS A 658 -23.130 72.324 19.866 1.00 76.38 C +ATOM 5119 O HIS A 658 -21.232 73.728 17.498 1.00 76.38 O +ATOM 5120 CG HIS A 658 -23.557 73.772 19.999 1.00 76.38 C +ATOM 5121 CD2 HIS A 658 -24.533 74.268 20.823 1.00 76.38 C +ATOM 5122 ND1 HIS A 658 -23.074 74.840 19.276 1.00 76.38 N +ATOM 5123 CE1 HIS A 658 -23.753 75.937 19.634 1.00 76.38 C +ATOM 5124 NE2 HIS A 658 -24.640 75.648 20.593 1.00 76.38 N +ATOM 5125 N CYS A 659 -20.074 72.314 18.787 1.00 74.38 N +ATOM 5126 CA CYS A 659 -18.770 72.924 18.524 1.00 74.38 C +ATOM 5127 C CYS A 659 -18.373 72.795 17.047 1.00 74.38 C +ATOM 5128 CB CYS A 659 -17.727 72.290 19.454 1.00 74.38 C +ATOM 5129 O CYS A 659 -17.941 73.780 16.450 1.00 74.38 O +ATOM 5130 SG CYS A 659 -17.929 72.970 21.124 1.00 74.38 S +ATOM 5131 N TYR A 660 -18.601 71.631 16.436 1.00 64.12 N +ATOM 5132 CA TYR A 660 -18.357 71.393 15.013 1.00 64.12 C +ATOM 5133 C TYR A 660 -19.199 72.336 14.134 1.00 64.12 C +ATOM 5134 CB TYR A 660 -18.624 69.908 14.723 1.00 64.12 C +ATOM 5135 O TYR A 660 -18.662 73.042 13.281 1.00 64.12 O +ATOM 5136 CG TYR A 660 -18.037 69.403 13.425 1.00 64.12 C +ATOM 5137 CD1 TYR A 660 -18.832 69.327 12.266 1.00 64.12 C +ATOM 5138 CD2 TYR A 660 -16.693 68.981 13.392 1.00 64.12 C +ATOM 5139 CE1 TYR A 660 -18.277 68.832 11.070 1.00 64.12 C +ATOM 5140 CE2 TYR A 660 -16.137 68.484 12.199 1.00 64.12 C +ATOM 5141 OH TYR A 660 -16.404 67.934 9.877 1.00 64.12 O +ATOM 5142 CZ TYR A 660 -16.931 68.411 11.034 1.00 64.12 C +ATOM 5143 N HIS A 661 -20.501 72.462 14.413 1.00 60.31 N +ATOM 5144 CA HIS A 661 -21.398 73.357 13.671 1.00 60.31 C +ATOM 5145 C HIS A 661 -21.196 74.857 13.943 1.00 60.31 C +ATOM 5146 CB HIS A 661 -22.857 72.952 13.922 1.00 60.31 C +ATOM 5147 O HIS A 661 -21.609 75.670 13.117 1.00 60.31 O +ATOM 5148 CG HIS A 661 -23.281 71.788 13.067 1.00 60.31 C +ATOM 5149 CD2 HIS A 661 -23.503 70.504 13.478 1.00 60.31 C +ATOM 5150 ND1 HIS A 661 -23.505 71.823 11.709 1.00 60.31 N +ATOM 5151 CE1 HIS A 661 -23.851 70.586 11.314 1.00 60.31 C +ATOM 5152 NE2 HIS A 661 -23.863 69.748 12.359 1.00 60.31 N +ATOM 5153 N LYS A 662 -20.567 75.254 15.059 1.00 61.44 N +ATOM 5154 CA LYS A 662 -20.307 76.675 15.372 1.00 61.44 C +ATOM 5155 C LYS A 662 -19.000 77.211 14.769 1.00 61.44 C +ATOM 5156 CB LYS A 662 -20.392 76.906 16.892 1.00 61.44 C +ATOM 5157 O LYS A 662 -18.839 78.426 14.710 1.00 61.44 O +ATOM 5158 CG LYS A 662 -20.882 78.321 17.246 1.00 61.44 C +ATOM 5159 CD LYS A 662 -20.928 78.524 18.767 1.00 61.44 C +ATOM 5160 CE LYS A 662 -21.678 79.818 19.109 1.00 61.44 C +ATOM 5161 NZ LYS A 662 -21.800 80.006 20.578 1.00 61.44 N +ATOM 5162 N PHE A 663 -18.092 76.334 14.325 1.00 55.09 N +ATOM 5163 CA PHE A 663 -16.763 76.714 13.816 1.00 55.09 C +ATOM 5164 C PHE A 663 -16.430 76.215 12.394 1.00 55.09 C +ATOM 5165 CB PHE A 663 -15.698 76.293 14.843 1.00 55.09 C +ATOM 5166 O PHE A 663 -15.449 76.681 11.816 1.00 55.09 O +ATOM 5167 CG PHE A 663 -15.669 77.163 16.090 1.00 55.09 C +ATOM 5168 CD1 PHE A 663 -15.055 78.429 16.040 1.00 55.09 C +ATOM 5169 CD2 PHE A 663 -16.241 76.719 17.297 1.00 55.09 C +ATOM 5170 CE1 PHE A 663 -15.009 79.243 17.186 1.00 55.09 C +ATOM 5171 CE2 PHE A 663 -16.197 77.532 18.446 1.00 55.09 C +ATOM 5172 CZ PHE A 663 -15.579 78.794 18.390 1.00 55.09 C +ATOM 5173 N ALA A 664 -17.223 75.323 11.788 1.00 41.28 N +ATOM 5174 CA ALA A 664 -16.983 74.850 10.420 1.00 41.28 C +ATOM 5175 C ALA A 664 -17.609 75.765 9.344 1.00 41.28 C +ATOM 5176 CB ALA A 664 -17.466 73.401 10.300 1.00 41.28 C +ATOM 5177 O ALA A 664 -18.827 75.938 9.274 1.00 41.28 O +ATOM 5178 N HIS A 665 -16.777 76.309 8.446 1.00 38.34 N +ATOM 5179 CA HIS A 665 -17.245 76.971 7.222 1.00 38.34 C +ATOM 5180 C HIS A 665 -17.830 75.952 6.214 1.00 38.34 C +ATOM 5181 CB HIS A 665 -16.127 77.836 6.609 1.00 38.34 C +ATOM 5182 O HIS A 665 -17.376 74.816 6.113 1.00 38.34 O +ATOM 5183 CG HIS A 665 -16.086 79.254 7.138 1.00 38.34 C +ATOM 5184 CD2 HIS A 665 -15.718 79.663 8.394 1.00 38.34 C +ATOM 5185 ND1 HIS A 665 -16.397 80.391 6.422 1.00 38.34 N +ATOM 5186 CE1 HIS A 665 -16.222 81.454 7.225 1.00 38.34 C +ATOM 5187 NE2 HIS A 665 -15.817 81.059 8.438 1.00 38.34 N +ATOM 5188 N LYS A 666 -18.860 76.385 5.474 1.00 33.59 N +ATOM 5189 CA LYS A 666 -19.795 75.568 4.668 1.00 33.59 C +ATOM 5190 C LYS A 666 -19.155 74.698 3.565 1.00 33.59 C +ATOM 5191 CB LYS A 666 -20.793 76.513 3.967 1.00 33.59 C +ATOM 5192 O LYS A 666 -18.432 75.232 2.726 1.00 33.59 O +ATOM 5193 CG LYS A 666 -21.647 77.385 4.899 1.00 33.59 C +ATOM 5194 CD LYS A 666 -22.438 78.412 4.074 1.00 33.59 C +ATOM 5195 CE LYS A 666 -23.331 79.261 4.985 1.00 33.59 C +ATOM 5196 NZ LYS A 666 -24.057 80.308 4.221 1.00 33.59 N +ATOM 5197 N PRO A 667 -19.624 73.443 3.429 1.00 39.06 N +ATOM 5198 CA PRO A 667 -20.004 72.884 2.121 1.00 39.06 C +ATOM 5199 C PRO A 667 -21.418 72.225 2.123 1.00 39.06 C +ATOM 5200 CB PRO A 667 -18.899 71.875 1.812 1.00 39.06 C +ATOM 5201 O PRO A 667 -21.968 71.987 3.200 1.00 39.06 O +ATOM 5202 CG PRO A 667 -18.603 71.276 3.188 1.00 39.06 C +ATOM 5203 CD PRO A 667 -18.978 72.378 4.189 1.00 39.06 C +ATOM 5204 N PRO A 668 -22.051 71.952 0.957 1.00 42.09 N +ATOM 5205 CA PRO A 668 -23.448 71.485 0.881 1.00 42.09 C +ATOM 5206 C PRO A 668 -23.645 69.960 1.031 1.00 42.09 C +ATOM 5207 CB PRO A 668 -23.994 71.976 -0.470 1.00 42.09 C +ATOM 5208 O PRO A 668 -22.796 69.167 0.635 1.00 42.09 O +ATOM 5209 CG PRO A 668 -22.910 72.905 -1.017 1.00 42.09 C +ATOM 5210 CD PRO A 668 -21.640 72.351 -0.380 1.00 42.09 C +ATOM 5211 N ILE A 669 -24.816 69.574 1.552 1.00 40.44 N +ATOM 5212 CA ILE A 669 -25.291 68.205 1.869 1.00 40.44 C +ATOM 5213 C ILE A 669 -26.233 67.723 0.731 1.00 40.44 C +ATOM 5214 CB ILE A 669 -26.007 68.224 3.255 1.00 40.44 C +ATOM 5215 O ILE A 669 -26.896 68.559 0.121 1.00 40.44 O +ATOM 5216 CG1 ILE A 669 -25.400 69.229 4.277 1.00 40.44 C +ATOM 5217 CG2 ILE A 669 -26.007 66.827 3.899 1.00 40.44 C +ATOM 5218 CD1 ILE A 669 -26.134 69.304 5.623 1.00 40.44 C +ATOM 5219 N SER A 670 -26.338 66.440 0.344 1.00 39.78 N +ATOM 5220 CA SER A 670 -27.309 65.414 0.834 1.00 39.78 C +ATOM 5221 C SER A 670 -27.751 64.532 -0.362 1.00 39.78 C +ATOM 5222 CB SER A 670 -28.572 66.069 1.437 1.00 39.78 C +ATOM 5223 O SER A 670 -27.650 65.005 -1.489 1.00 39.78 O +ATOM 5224 OG SER A 670 -29.208 66.952 0.535 1.00 39.78 O +ATOM 5225 N SER A 671 -28.263 63.294 -0.267 1.00 39.25 N +ATOM 5226 CA SER A 671 -28.245 62.230 0.764 1.00 39.25 C +ATOM 5227 C SER A 671 -28.815 60.924 0.155 1.00 39.25 C +ATOM 5228 CB SER A 671 -29.118 62.565 1.982 1.00 39.25 C +ATOM 5229 O SER A 671 -29.763 60.989 -0.623 1.00 39.25 O +ATOM 5230 OG SER A 671 -30.384 63.044 1.581 1.00 39.25 O +ATOM 5231 N ALA A 672 -28.286 59.761 0.544 1.00 35.09 N +ATOM 5232 CA ALA A 672 -28.809 58.406 0.269 1.00 35.09 C +ATOM 5233 C ALA A 672 -29.737 57.945 1.434 1.00 35.09 C +ATOM 5234 CB ALA A 672 -27.544 57.544 0.123 1.00 35.09 C +ATOM 5235 O ALA A 672 -29.824 58.668 2.424 1.00 35.09 O +ATOM 5236 N GLU A 673 -30.423 56.793 1.500 1.00 33.41 N +ATOM 5237 CA GLU A 673 -30.919 55.751 0.570 1.00 33.41 C +ATOM 5238 C GLU A 673 -31.940 54.906 1.374 1.00 33.41 C +ATOM 5239 CB GLU A 673 -29.819 54.766 0.116 1.00 33.41 C +ATOM 5240 O GLU A 673 -31.717 54.679 2.564 1.00 33.41 O +ATOM 5241 CG GLU A 673 -29.563 54.825 -1.397 1.00 33.41 C +ATOM 5242 CD GLU A 673 -28.446 53.862 -1.835 1.00 33.41 C +ATOM 5243 OE1 GLU A 673 -28.582 53.295 -2.941 1.00 33.41 O +ATOM 5244 OE2 GLU A 673 -27.471 53.706 -1.067 1.00 33.41 O +ATOM 5245 N MET A 674 -33.022 54.386 0.773 1.00 32.81 N +ATOM 5246 CA MET A 674 -33.854 53.339 1.403 1.00 32.81 C +ATOM 5247 C MET A 674 -34.743 52.572 0.400 1.00 32.81 C +ATOM 5248 CB MET A 674 -34.746 53.916 2.535 1.00 32.81 C +ATOM 5249 O MET A 674 -35.277 53.141 -0.545 1.00 32.81 O +ATOM 5250 CG MET A 674 -34.326 53.427 3.931 1.00 32.81 C +ATOM 5251 SD MET A 674 -35.524 53.790 5.247 1.00 32.81 S +ATOM 5252 CE MET A 674 -34.424 53.784 6.690 1.00 32.81 C +ATOM 5253 N THR A 675 -34.999 51.296 0.722 1.00 33.94 N +ATOM 5254 CA THR A 675 -36.114 50.421 0.272 1.00 33.94 C +ATOM 5255 C THR A 675 -36.163 49.841 -1.164 1.00 33.94 C +ATOM 5256 CB THR A 675 -37.497 50.969 0.684 1.00 33.94 C +ATOM 5257 O THR A 675 -36.584 50.475 -2.118 1.00 33.94 O +ATOM 5258 CG2 THR A 675 -37.661 51.063 2.209 1.00 33.94 C +ATOM 5259 OG1 THR A 675 -37.784 52.234 0.143 1.00 33.94 O +ATOM 5260 N PHE A 676 -35.895 48.526 -1.239 1.00 29.08 N +ATOM 5261 CA PHE A 676 -36.797 47.458 -1.735 1.00 29.08 C +ATOM 5262 C PHE A 676 -37.514 47.583 -3.114 1.00 29.08 C +ATOM 5263 CB PHE A 676 -37.822 47.143 -0.609 1.00 29.08 C +ATOM 5264 O PHE A 676 -38.536 48.256 -3.218 1.00 29.08 O +ATOM 5265 CG PHE A 676 -37.827 45.716 -0.093 1.00 29.08 C +ATOM 5266 CD1 PHE A 676 -38.766 44.780 -0.569 1.00 29.08 C +ATOM 5267 CD2 PHE A 676 -36.928 45.339 0.922 1.00 29.08 C +ATOM 5268 CE1 PHE A 676 -38.798 43.475 -0.044 1.00 29.08 C +ATOM 5269 CE2 PHE A 676 -36.964 44.037 1.452 1.00 29.08 C +ATOM 5270 CZ PHE A 676 -37.896 43.104 0.968 1.00 29.08 C +ATOM 5271 N ARG A 677 -37.105 46.732 -4.086 1.00 35.97 N +ATOM 5272 CA ARG A 677 -37.893 45.916 -5.075 1.00 35.97 C +ATOM 5273 C ARG A 677 -37.225 45.807 -6.471 1.00 35.97 C +ATOM 5274 CB ARG A 677 -39.380 46.332 -5.243 1.00 35.97 C +ATOM 5275 O ARG A 677 -36.599 46.736 -6.955 1.00 35.97 O +ATOM 5276 CG ARG A 677 -40.270 45.801 -4.099 1.00 35.97 C +ATOM 5277 CD ARG A 677 -41.743 46.210 -4.233 1.00 35.97 C +ATOM 5278 NE ARG A 677 -42.584 45.532 -3.216 1.00 35.97 N +ATOM 5279 NH1 ARG A 677 -44.281 47.080 -3.092 1.00 35.97 N +ATOM 5280 NH2 ARG A 677 -44.379 45.244 -1.835 1.00 35.97 N +ATOM 5281 CZ ARG A 677 -43.738 45.954 -2.722 1.00 35.97 C +ATOM 5282 N ARG A 678 -37.386 44.630 -7.106 1.00 28.92 N +ATOM 5283 CA ARG A 678 -37.083 44.301 -8.532 1.00 28.92 C +ATOM 5284 C ARG A 678 -38.077 45.033 -9.488 1.00 28.92 C +ATOM 5285 CB ARG A 678 -37.242 42.769 -8.697 1.00 28.92 C +ATOM 5286 O ARG A 678 -39.065 45.525 -8.940 1.00 28.92 O +ATOM 5287 CG ARG A 678 -36.439 41.828 -7.780 1.00 28.92 C +ATOM 5288 CD ARG A 678 -36.863 40.378 -8.101 1.00 28.92 C +ATOM 5289 NE ARG A 678 -36.036 39.359 -7.420 1.00 28.92 N +ATOM 5290 NH1 ARG A 678 -37.293 37.509 -7.986 1.00 28.92 N +ATOM 5291 NH2 ARG A 678 -35.403 37.243 -6.843 1.00 28.92 N +ATOM 5292 CZ ARG A 678 -36.249 38.050 -7.419 1.00 28.92 C +ATOM 5293 N PRO A 679 -37.982 44.998 -10.852 1.00 33.81 N +ATOM 5294 CA PRO A 679 -37.057 44.253 -11.739 1.00 33.81 C +ATOM 5295 C PRO A 679 -36.515 45.003 -13.004 1.00 33.81 C +ATOM 5296 CB PRO A 679 -37.992 43.138 -12.247 1.00 33.81 C +ATOM 5297 O PRO A 679 -36.969 46.086 -13.343 1.00 33.81 O +ATOM 5298 CG PRO A 679 -39.292 43.899 -12.534 1.00 33.81 C +ATOM 5299 CD PRO A 679 -39.219 45.137 -11.630 1.00 33.81 C +ATOM 5300 N ALA A 680 -35.688 44.285 -13.788 1.00 27.50 N +ATOM 5301 CA ALA A 680 -35.500 44.384 -15.255 1.00 27.50 C +ATOM 5302 C ALA A 680 -34.683 45.547 -15.886 1.00 27.50 C +ATOM 5303 CB ALA A 680 -36.863 44.190 -15.948 1.00 27.50 C +ATOM 5304 O ALA A 680 -34.544 46.623 -15.327 1.00 27.50 O +ATOM 5305 N GLN A 681 -34.215 45.269 -17.120 1.00 31.27 N +ATOM 5306 CA GLN A 681 -33.571 46.154 -18.119 1.00 31.27 C +ATOM 5307 C GLN A 681 -32.134 46.619 -17.770 1.00 31.27 C +ATOM 5308 CB GLN A 681 -34.530 47.288 -18.531 1.00 31.27 C +ATOM 5309 O GLN A 681 -31.917 47.449 -16.903 1.00 31.27 O +ATOM 5310 CG GLN A 681 -35.870 46.730 -19.062 1.00 31.27 C +ATOM 5311 CD GLN A 681 -36.896 47.793 -19.439 1.00 31.27 C +ATOM 5312 NE2 GLN A 681 -38.045 47.393 -19.943 1.00 31.27 N +ATOM 5313 OE1 GLN A 681 -36.716 48.985 -19.298 1.00 31.27 O +ATOM 5314 N ALA A 682 -31.076 46.000 -18.307 1.00 26.48 N +ATOM 5315 CA ALA A 682 -30.608 46.058 -19.703 1.00 26.48 C +ATOM 5316 C ALA A 682 -30.110 47.454 -20.136 1.00 26.48 C +ATOM 5317 CB ALA A 682 -31.594 45.433 -20.705 1.00 26.48 C +ATOM 5318 O ALA A 682 -30.850 48.211 -20.753 1.00 26.48 O +ATOM 5319 N PHE A 683 -28.824 47.738 -19.894 1.00 29.81 N +ATOM 5320 CA PHE A 683 -28.067 48.779 -20.602 1.00 29.81 C +ATOM 5321 C PHE A 683 -26.668 48.262 -20.988 1.00 29.81 C +ATOM 5322 CB PHE A 683 -27.994 50.080 -19.789 1.00 29.81 C +ATOM 5323 O PHE A 683 -26.040 47.570 -20.183 1.00 29.81 O +ATOM 5324 CG PHE A 683 -29.163 50.997 -20.088 1.00 29.81 C +ATOM 5325 CD1 PHE A 683 -29.124 51.829 -21.224 1.00 29.81 C +ATOM 5326 CD2 PHE A 683 -30.321 50.961 -19.289 1.00 29.81 C +ATOM 5327 CE1 PHE A 683 -30.241 52.609 -21.570 1.00 29.81 C +ATOM 5328 CE2 PHE A 683 -31.438 51.743 -19.634 1.00 29.81 C +ATOM 5329 CZ PHE A 683 -31.400 52.562 -20.776 1.00 29.81 C +ATOM 5330 N PRO A 684 -26.181 48.546 -22.212 1.00 28.45 N +ATOM 5331 CA PRO A 684 -24.913 48.023 -22.710 1.00 28.45 C +ATOM 5332 C PRO A 684 -23.740 48.941 -22.348 1.00 28.45 C +ATOM 5333 CB PRO A 684 -25.106 47.945 -24.228 1.00 28.45 C +ATOM 5334 O PRO A 684 -23.849 50.162 -22.449 1.00 28.45 O +ATOM 5335 CG PRO A 684 -25.989 49.159 -24.524 1.00 28.45 C +ATOM 5336 CD PRO A 684 -26.868 49.270 -23.277 1.00 28.45 C +ATOM 5337 N VAL A 685 -22.577 48.361 -22.042 1.00 30.06 N +ATOM 5338 CA VAL A 685 -21.306 49.103 -22.052 1.00 30.06 C +ATOM 5339 C VAL A 685 -20.585 48.806 -23.361 1.00 30.06 C +ATOM 5340 CB VAL A 685 -20.443 48.860 -20.801 1.00 30.06 C +ATOM 5341 O VAL A 685 -19.730 47.928 -23.457 1.00 30.06 O +ATOM 5342 CG1 VAL A 685 -19.216 49.784 -20.813 1.00 30.06 C +ATOM 5343 CG2 VAL A 685 -21.231 49.174 -19.522 1.00 30.06 C +ATOM 5344 N SER A 686 -20.960 49.550 -24.396 1.00 27.92 N +ATOM 5345 CA SER A 686 -20.207 49.620 -25.643 1.00 27.92 C +ATOM 5346 C SER A 686 -18.902 50.388 -25.413 1.00 27.92 C +ATOM 5347 CB SER A 686 -21.064 50.308 -26.715 1.00 27.92 C +ATOM 5348 O SER A 686 -18.906 51.621 -25.412 1.00 27.92 O +ATOM 5349 OG SER A 686 -21.552 51.548 -26.236 1.00 27.92 O +ATOM 5350 N TYR A 687 -17.779 49.683 -25.260 1.00 32.19 N +ATOM 5351 CA TYR A 687 -16.472 50.301 -25.483 1.00 32.19 C +ATOM 5352 C TYR A 687 -16.186 50.328 -26.983 1.00 32.19 C +ATOM 5353 CB TYR A 687 -15.363 49.651 -24.644 1.00 32.19 C +ATOM 5354 O TYR A 687 -15.969 49.296 -27.616 1.00 32.19 O +ATOM 5355 CG TYR A 687 -15.091 50.463 -23.392 1.00 32.19 C +ATOM 5356 CD1 TYR A 687 -14.269 51.606 -23.468 1.00 32.19 C +ATOM 5357 CD2 TYR A 687 -15.732 50.137 -22.183 1.00 32.19 C +ATOM 5358 CE1 TYR A 687 -14.093 52.429 -22.339 1.00 32.19 C +ATOM 5359 CE2 TYR A 687 -15.561 50.959 -21.051 1.00 32.19 C +ATOM 5360 OH TYR A 687 -14.592 52.900 -20.036 1.00 32.19 O +ATOM 5361 CZ TYR A 687 -14.745 52.106 -21.128 1.00 32.19 C +ATOM 5362 N SER A 688 -16.256 51.531 -27.551 1.00 30.97 N +ATOM 5363 CA SER A 688 -16.131 51.771 -28.985 1.00 30.97 C +ATOM 5364 C SER A 688 -14.803 51.294 -29.562 1.00 30.97 C +ATOM 5365 CB SER A 688 -16.279 53.262 -29.293 1.00 30.97 C +ATOM 5366 O SER A 688 -13.728 51.522 -29.008 1.00 30.97 O +ATOM 5367 OG SER A 688 -17.579 53.689 -28.941 1.00 30.97 O +ATOM 5368 N SER A 689 -14.887 50.734 -30.764 1.00 27.89 N +ATOM 5369 CA SER A 689 -13.749 50.494 -31.638 1.00 27.89 C +ATOM 5370 C SER A 689 -13.053 51.804 -32.031 1.00 27.89 C +ATOM 5371 CB SER A 689 -14.258 49.788 -32.902 1.00 27.89 C +ATOM 5372 O SER A 689 -13.609 52.608 -32.781 1.00 27.89 O +ATOM 5373 OG SER A 689 -15.302 50.544 -33.491 1.00 27.89 O +ATOM 5374 N SER A 690 -11.798 51.972 -31.627 1.00 35.06 N +ATOM 5375 CA SER A 690 -10.847 52.877 -32.282 1.00 35.06 C +ATOM 5376 C SER A 690 -9.466 52.232 -32.257 1.00 35.06 C +ATOM 5377 CB SER A 690 -10.837 54.269 -31.642 1.00 35.06 C +ATOM 5378 O SER A 690 -8.994 51.810 -31.203 1.00 35.06 O +ATOM 5379 OG SER A 690 -10.519 54.205 -30.269 1.00 35.06 O +ATOM 5380 N GLY A 691 -8.855 52.074 -33.430 1.00 27.27 N +ATOM 5381 CA GLY A 691 -7.750 51.140 -33.618 1.00 27.27 C +ATOM 5382 C GLY A 691 -6.425 51.575 -32.992 1.00 27.27 C +ATOM 5383 O GLY A 691 -5.881 52.618 -33.335 1.00 27.27 O +ATOM 5384 N ALA A 692 -5.844 50.685 -32.191 1.00 31.11 N +ATOM 5385 CA ALA A 692 -4.406 50.603 -31.965 1.00 31.11 C +ATOM 5386 C ALA A 692 -4.037 49.120 -31.821 1.00 31.11 C +ATOM 5387 CB ALA A 692 -4.029 51.435 -30.732 1.00 31.11 C +ATOM 5388 O ALA A 692 -4.290 48.511 -30.782 1.00 31.11 O +ATOM 5389 N ARG A 693 -3.473 48.513 -32.876 1.00 26.94 N +ATOM 5390 CA ARG A 693 -2.960 47.136 -32.803 1.00 26.94 C +ATOM 5391 C ARG A 693 -1.792 47.116 -31.814 1.00 26.94 C +ATOM 5392 CB ARG A 693 -2.472 46.624 -34.175 1.00 26.94 C +ATOM 5393 O ARG A 693 -0.699 47.552 -32.165 1.00 26.94 O +ATOM 5394 CG ARG A 693 -3.545 46.476 -35.264 1.00 26.94 C +ATOM 5395 CD ARG A 693 -2.883 45.918 -36.537 1.00 26.94 C +ATOM 5396 NE ARG A 693 -3.756 46.029 -37.724 1.00 26.94 N +ATOM 5397 NH1 ARG A 693 -2.127 45.740 -39.324 1.00 26.94 N +ATOM 5398 NH2 ARG A 693 -4.222 46.160 -39.952 1.00 26.94 N +ATOM 5399 CZ ARG A 693 -3.366 45.976 -38.988 1.00 26.94 C +ATOM 5400 N ARG A 694 -1.995 46.596 -30.601 1.00 28.69 N +ATOM 5401 CA ARG A 694 -0.874 46.083 -29.805 1.00 28.69 C +ATOM 5402 C ARG A 694 -0.445 44.755 -30.435 1.00 28.69 C +ATOM 5403 CB ARG A 694 -1.253 45.920 -28.326 1.00 28.69 C +ATOM 5404 O ARG A 694 -1.316 43.907 -30.621 1.00 28.69 O +ATOM 5405 CG ARG A 694 -1.155 47.267 -27.596 1.00 28.69 C +ATOM 5406 CD ARG A 694 -1.424 47.102 -26.098 1.00 28.69 C +ATOM 5407 NE ARG A 694 -1.164 48.359 -25.368 1.00 28.69 N +ATOM 5408 NH1 ARG A 694 -2.373 47.876 -23.476 1.00 28.69 N +ATOM 5409 NH2 ARG A 694 -1.282 49.815 -23.621 1.00 28.69 N +ATOM 5410 CZ ARG A 694 -1.608 48.676 -24.165 1.00 28.69 C +ATOM 5411 N PRO A 695 0.833 44.573 -30.812 1.00 28.89 N +ATOM 5412 CA PRO A 695 1.293 43.297 -31.339 1.00 28.89 C +ATOM 5413 C PRO A 695 1.132 42.203 -30.284 1.00 28.89 C +ATOM 5414 CB PRO A 695 2.762 43.497 -31.736 1.00 28.89 C +ATOM 5415 O PRO A 695 1.547 42.381 -29.138 1.00 28.89 O +ATOM 5416 CG PRO A 695 2.896 45.012 -31.883 1.00 28.89 C +ATOM 5417 CD PRO A 695 1.915 45.545 -30.843 1.00 28.89 C +ATOM 5418 N SER A 696 0.558 41.071 -30.681 1.00 31.56 N +ATOM 5419 CA SER A 696 0.689 39.813 -29.950 1.00 31.56 C +ATOM 5420 C SER A 696 2.170 39.451 -29.857 1.00 31.56 C +ATOM 5421 CB SER A 696 -0.076 38.709 -30.692 1.00 31.56 C +ATOM 5422 O SER A 696 2.867 39.449 -30.872 1.00 31.56 O +ATOM 5423 OG SER A 696 0.227 38.753 -32.079 1.00 31.56 O +ATOM 5424 N LEU A 697 2.650 39.107 -28.662 1.00 38.22 N +ATOM 5425 CA LEU A 697 4.066 38.812 -28.393 1.00 38.22 C +ATOM 5426 C LEU A 697 4.494 37.400 -28.872 1.00 38.22 C +ATOM 5427 CB LEU A 697 4.353 39.129 -26.904 1.00 38.22 C +ATOM 5428 O LEU A 697 5.510 36.875 -28.438 1.00 38.22 O +ATOM 5429 CG LEU A 697 5.647 39.942 -26.661 1.00 38.22 C +ATOM 5430 CD1 LEU A 697 5.411 41.020 -25.597 1.00 38.22 C +ATOM 5431 CD2 LEU A 697 6.805 39.069 -26.180 1.00 38.22 C +ATOM 5432 N ASP A 698 3.724 36.817 -29.798 1.00 34.12 N +ATOM 5433 CA ASP A 698 3.837 35.459 -30.350 1.00 34.12 C +ATOM 5434 C ASP A 698 4.125 35.475 -31.869 1.00 34.12 C +ATOM 5435 CB ASP A 698 2.564 34.658 -30.008 1.00 34.12 C +ATOM 5436 O ASP A 698 3.631 34.654 -32.644 1.00 34.12 O +ATOM 5437 CG ASP A 698 2.533 34.174 -28.558 1.00 34.12 C +ATOM 5438 OD1 ASP A 698 3.529 33.543 -28.135 1.00 34.12 O +ATOM 5439 OD2 ASP A 698 1.489 34.383 -27.907 1.00 34.12 O +ATOM 5440 N SER A 699 4.882 36.464 -32.353 1.00 30.31 N +ATOM 5441 CA SER A 699 5.247 36.581 -33.777 1.00 30.31 C +ATOM 5442 C SER A 699 6.659 37.131 -33.992 1.00 30.31 C +ATOM 5443 CB SER A 699 4.184 37.366 -34.557 1.00 30.31 C +ATOM 5444 O SER A 699 6.856 38.079 -34.746 1.00 30.31 O +ATOM 5445 OG SER A 699 2.980 36.621 -34.590 1.00 30.31 O +ATOM 5446 N MET A 700 7.648 36.505 -33.347 1.00 30.25 N +ATOM 5447 CA MET A 700 9.058 36.593 -33.741 1.00 30.25 C +ATOM 5448 C MET A 700 9.811 35.330 -33.283 1.00 30.25 C +ATOM 5449 CB MET A 700 9.709 37.864 -33.151 1.00 30.25 C +ATOM 5450 O MET A 700 9.616 34.912 -32.149 1.00 30.25 O +ATOM 5451 CG MET A 700 10.683 38.537 -34.132 1.00 30.25 C +ATOM 5452 SD MET A 700 10.146 40.164 -34.742 1.00 30.25 S +ATOM 5453 CE MET A 700 10.671 41.170 -33.330 1.00 30.25 C +ATOM 5454 N GLU A 701 10.651 34.773 -34.169 1.00 29.94 N +ATOM 5455 CA GLU A 701 11.861 33.962 -33.880 1.00 29.94 C +ATOM 5456 C GLU A 701 11.693 32.654 -33.044 1.00 29.94 C +ATOM 5457 CB GLU A 701 12.924 34.933 -33.329 1.00 29.94 C +ATOM 5458 O GLU A 701 11.170 32.625 -31.939 1.00 29.94 O +ATOM 5459 CG GLU A 701 13.368 35.937 -34.423 1.00 29.94 C +ATOM 5460 CD GLU A 701 14.001 37.240 -33.908 1.00 29.94 C +ATOM 5461 OE1 GLU A 701 14.457 38.015 -34.777 1.00 29.94 O +ATOM 5462 OE2 GLU A 701 13.938 37.507 -32.687 1.00 29.94 O +ATOM 5463 N ASN A 702 12.124 31.454 -33.461 1.00 29.94 N +ATOM 5464 CA ASN A 702 13.159 31.056 -34.423 1.00 29.94 C +ATOM 5465 C ASN A 702 14.498 31.785 -34.201 1.00 29.94 C +ATOM 5466 CB ASN A 702 12.631 31.070 -35.883 1.00 29.94 C +ATOM 5467 O ASN A 702 14.724 32.828 -34.792 1.00 29.94 O +ATOM 5468 CG ASN A 702 12.326 29.690 -36.462 1.00 29.94 C +ATOM 5469 ND2 ASN A 702 11.999 29.618 -37.733 1.00 29.94 N +ATOM 5470 OD1 ASN A 702 12.397 28.661 -35.811 1.00 29.94 O +ATOM 5471 N GLN A 703 15.398 31.162 -33.423 1.00 32.94 N +ATOM 5472 CA GLN A 703 16.775 31.606 -33.118 1.00 32.94 C +ATOM 5473 C GLN A 703 16.936 32.715 -32.052 1.00 32.94 C +ATOM 5474 CB GLN A 703 17.595 31.904 -34.394 1.00 32.94 C +ATOM 5475 O GLN A 703 17.574 33.732 -32.296 1.00 32.94 O +ATOM 5476 CG GLN A 703 17.574 30.813 -35.480 1.00 32.94 C +ATOM 5477 CD GLN A 703 18.403 31.206 -36.705 1.00 32.94 C +ATOM 5478 NE2 GLN A 703 18.471 30.382 -37.729 1.00 32.94 N +ATOM 5479 OE1 GLN A 703 19.020 32.251 -36.783 1.00 32.94 O +ATOM 5480 N VAL A 704 16.475 32.472 -30.818 1.00 32.25 N +ATOM 5481 CA VAL A 704 16.882 33.270 -29.641 1.00 32.25 C +ATOM 5482 C VAL A 704 17.357 32.332 -28.527 1.00 32.25 C +ATOM 5483 CB VAL A 704 15.759 34.221 -29.172 1.00 32.25 C +ATOM 5484 O VAL A 704 16.655 31.379 -28.180 1.00 32.25 O +ATOM 5485 CG1 VAL A 704 16.244 35.150 -28.061 1.00 32.25 C +ATOM 5486 CG2 VAL A 704 15.269 35.129 -30.303 1.00 32.25 C +ATOM 5487 N SER A 705 18.563 32.563 -27.993 1.00 33.91 N +ATOM 5488 CA SER A 705 19.089 31.800 -26.852 1.00 33.91 C +ATOM 5489 C SER A 705 18.337 32.143 -25.563 1.00 33.91 C +ATOM 5490 CB SER A 705 20.604 32.007 -26.675 1.00 33.91 C +ATOM 5491 O SER A 705 17.685 33.183 -25.452 1.00 33.91 O +ATOM 5492 OG SER A 705 20.910 33.338 -26.318 1.00 33.91 O +ATOM 5493 N VAL A 706 18.446 31.275 -24.552 1.00 45.78 N +ATOM 5494 CA VAL A 706 17.799 31.474 -23.239 1.00 45.78 C +ATOM 5495 C VAL A 706 18.271 32.778 -22.558 1.00 45.78 C +ATOM 5496 CB VAL A 706 18.010 30.225 -22.349 1.00 45.78 C +ATOM 5497 O VAL A 706 17.556 33.330 -21.727 1.00 45.78 O +ATOM 5498 CG1 VAL A 706 17.232 30.291 -21.028 1.00 45.78 C +ATOM 5499 CG2 VAL A 706 17.537 28.944 -23.064 1.00 45.78 C +ATOM 5500 N ASP A 707 19.415 33.325 -22.979 1.00 42.69 N +ATOM 5501 CA ASP A 707 20.059 34.520 -22.420 1.00 42.69 C +ATOM 5502 C ASP A 707 19.461 35.873 -22.867 1.00 42.69 C +ATOM 5503 CB ASP A 707 21.558 34.477 -22.762 1.00 42.69 C +ATOM 5504 O ASP A 707 19.888 36.913 -22.366 1.00 42.69 O +ATOM 5505 CG ASP A 707 22.188 33.126 -22.428 1.00 42.69 C +ATOM 5506 OD1 ASP A 707 22.176 32.752 -21.235 1.00 42.69 O +ATOM 5507 OD2 ASP A 707 22.605 32.453 -23.400 1.00 42.69 O +ATOM 5508 N ALA A 708 18.499 35.904 -23.802 1.00 42.53 N +ATOM 5509 CA ALA A 708 17.982 37.160 -24.377 1.00 42.53 C +ATOM 5510 C ALA A 708 16.504 37.489 -24.060 1.00 42.53 C +ATOM 5511 CB ALA A 708 18.310 37.174 -25.871 1.00 42.53 C +ATOM 5512 O ALA A 708 16.023 38.563 -24.431 1.00 42.53 O +ATOM 5513 N PHE A 709 15.781 36.641 -23.318 1.00 55.62 N +ATOM 5514 CA PHE A 709 14.456 37.004 -22.792 1.00 55.62 C +ATOM 5515 C PHE A 709 14.590 37.900 -21.554 1.00 55.62 C +ATOM 5516 CB PHE A 709 13.589 35.760 -22.531 1.00 55.62 C +ATOM 5517 O PHE A 709 14.741 37.424 -20.429 1.00 55.62 O +ATOM 5518 CG PHE A 709 12.599 35.494 -23.647 1.00 55.62 C +ATOM 5519 CD1 PHE A 709 11.332 36.113 -23.628 1.00 55.62 C +ATOM 5520 CD2 PHE A 709 12.960 34.675 -24.733 1.00 55.62 C +ATOM 5521 CE1 PHE A 709 10.430 35.909 -24.689 1.00 55.62 C +ATOM 5522 CE2 PHE A 709 12.057 34.472 -25.792 1.00 55.62 C +ATOM 5523 CZ PHE A 709 10.793 35.089 -25.771 1.00 55.62 C +ATOM 5524 N LYS A 710 14.499 39.220 -21.750 1.00 62.81 N +ATOM 5525 CA LYS A 710 14.518 40.186 -20.645 1.00 62.81 C +ATOM 5526 C LYS A 710 13.183 40.154 -19.891 1.00 62.81 C +ATOM 5527 CB LYS A 710 14.918 41.578 -21.168 1.00 62.81 C +ATOM 5528 O LYS A 710 12.208 40.777 -20.308 1.00 62.81 O +ATOM 5529 CG LYS A 710 15.607 42.383 -20.058 1.00 62.81 C +ATOM 5530 CD LYS A 710 16.125 43.731 -20.573 1.00 62.81 C +ATOM 5531 CE LYS A 710 17.034 44.343 -19.501 1.00 62.81 C +ATOM 5532 NZ LYS A 710 17.575 45.659 -19.915 1.00 62.81 N +ATOM 5533 N ILE A 711 13.137 39.394 -18.797 1.00 75.38 N +ATOM 5534 CA ILE A 711 11.962 39.284 -17.923 1.00 75.38 C +ATOM 5535 C ILE A 711 11.658 40.672 -17.349 1.00 75.38 C +ATOM 5536 CB ILE A 711 12.187 38.235 -16.806 1.00 75.38 C +ATOM 5537 O ILE A 711 12.540 41.313 -16.777 1.00 75.38 O +ATOM 5538 CG1 ILE A 711 12.542 36.853 -17.410 1.00 75.38 C +ATOM 5539 CG2 ILE A 711 10.927 38.127 -15.920 1.00 75.38 C +ATOM 5540 CD1 ILE A 711 13.011 35.828 -16.374 1.00 75.38 C +ATOM 5541 N LEU A 712 10.418 41.141 -17.515 1.00 77.81 N +ATOM 5542 CA LEU A 712 9.992 42.431 -16.980 1.00 77.81 C +ATOM 5543 C LEU A 712 9.985 42.373 -15.448 1.00 77.81 C +ATOM 5544 CB LEU A 712 8.610 42.803 -17.555 1.00 77.81 C +ATOM 5545 O LEU A 712 9.257 41.568 -14.862 1.00 77.81 O +ATOM 5546 CG LEU A 712 8.145 44.224 -17.179 1.00 77.81 C +ATOM 5547 CD1 LEU A 712 8.953 45.301 -17.910 1.00 77.81 C +ATOM 5548 CD2 LEU A 712 6.674 44.409 -17.557 1.00 77.81 C +ATOM 5549 N GLU A 713 10.781 43.236 -14.818 1.00 83.62 N +ATOM 5550 CA GLU A 713 10.785 43.402 -13.367 1.00 83.62 C +ATOM 5551 C GLU A 713 9.400 43.852 -12.884 1.00 83.62 C +ATOM 5552 CB GLU A 713 11.868 44.411 -12.957 1.00 83.62 C +ATOM 5553 O GLU A 713 8.782 44.754 -13.452 1.00 83.62 O +ATOM 5554 CG GLU A 713 12.121 44.401 -11.440 1.00 83.62 C +ATOM 5555 CD GLU A 713 13.104 45.494 -10.991 1.00 83.62 C +ATOM 5556 OE1 GLU A 713 13.001 45.899 -9.811 1.00 83.62 O +ATOM 5557 OE2 GLU A 713 13.925 45.937 -11.827 1.00 83.62 O +ATOM 5558 N ASP A 714 8.917 43.225 -11.815 1.00 87.69 N +ATOM 5559 CA ASP A 714 7.677 43.601 -11.145 1.00 87.69 C +ATOM 5560 C ASP A 714 8.019 44.021 -9.708 1.00 87.69 C +ATOM 5561 CB ASP A 714 6.694 42.428 -11.231 1.00 87.69 C +ATOM 5562 O ASP A 714 8.168 43.149 -8.846 1.00 87.69 O +ATOM 5563 CG ASP A 714 5.300 42.750 -10.693 1.00 87.69 C +ATOM 5564 OD1 ASP A 714 5.149 43.648 -9.833 1.00 87.69 O +ATOM 5565 OD2 ASP A 714 4.381 41.987 -11.083 1.00 87.69 O +ATOM 5566 N PRO A 715 8.153 45.332 -9.418 1.00 87.31 N +ATOM 5567 CA PRO A 715 8.648 45.824 -8.128 1.00 87.31 C +ATOM 5568 C PRO A 715 7.818 45.398 -6.908 1.00 87.31 C +ATOM 5569 CB PRO A 715 8.671 47.351 -8.259 1.00 87.31 C +ATOM 5570 O PRO A 715 8.283 45.503 -5.776 1.00 87.31 O +ATOM 5571 CG PRO A 715 8.876 47.574 -9.754 1.00 87.31 C +ATOM 5572 CD PRO A 715 8.075 46.433 -10.371 1.00 87.31 C +ATOM 5573 N LYS A 716 6.582 44.916 -7.110 1.00 90.81 N +ATOM 5574 CA LYS A 716 5.741 44.355 -6.040 1.00 90.81 C +ATOM 5575 C LYS A 716 6.210 42.964 -5.593 1.00 90.81 C +ATOM 5576 CB LYS A 716 4.295 44.329 -6.556 1.00 90.81 C +ATOM 5577 O LYS A 716 5.920 42.558 -4.466 1.00 90.81 O +ATOM 5578 CG LYS A 716 3.297 43.718 -5.564 1.00 90.81 C +ATOM 5579 CD LYS A 716 1.879 43.772 -6.134 1.00 90.81 C +ATOM 5580 CE LYS A 716 0.941 42.973 -5.226 1.00 90.81 C +ATOM 5581 NZ LYS A 716 -0.435 42.928 -5.784 1.00 90.81 N +ATOM 5582 N TRP A 717 6.877 42.228 -6.479 1.00 92.88 N +ATOM 5583 CA TRP A 717 7.275 40.836 -6.276 1.00 92.88 C +ATOM 5584 C TRP A 717 8.787 40.619 -6.328 1.00 92.88 C +ATOM 5585 CB TRP A 717 6.551 39.959 -7.301 1.00 92.88 C +ATOM 5586 O TRP A 717 9.239 39.594 -5.823 1.00 92.88 O +ATOM 5587 CG TRP A 717 5.057 39.988 -7.192 1.00 92.88 C +ATOM 5588 CD1 TRP A 717 4.230 40.718 -7.969 1.00 92.88 C +ATOM 5589 CD2 TRP A 717 4.191 39.300 -6.239 1.00 92.88 C +ATOM 5590 CE2 TRP A 717 2.835 39.627 -6.544 1.00 92.88 C +ATOM 5591 CE3 TRP A 717 4.415 38.421 -5.157 1.00 92.88 C +ATOM 5592 NE1 TRP A 717 2.919 40.492 -7.613 1.00 92.88 N +ATOM 5593 CH2 TRP A 717 2.010 38.171 -4.795 1.00 92.88 C +ATOM 5594 CZ2 TRP A 717 1.755 39.077 -5.838 1.00 92.88 C +ATOM 5595 CZ3 TRP A 717 3.337 37.858 -4.446 1.00 92.88 C +ATOM 5596 N GLU A 718 9.562 41.545 -6.891 1.00 93.88 N +ATOM 5597 CA GLU A 718 11.020 41.439 -6.937 1.00 93.88 C +ATOM 5598 C GLU A 718 11.624 41.407 -5.519 1.00 93.88 C +ATOM 5599 CB GLU A 718 11.619 42.560 -7.806 1.00 93.88 C +ATOM 5600 O GLU A 718 11.285 42.203 -4.639 1.00 93.88 O +ATOM 5601 CG GLU A 718 13.068 42.268 -8.246 1.00 93.88 C +ATOM 5602 CD GLU A 718 13.212 41.057 -9.187 1.00 93.88 C +ATOM 5603 OE1 GLU A 718 14.332 40.511 -9.320 1.00 93.88 O +ATOM 5604 OE2 GLU A 718 12.210 40.598 -9.783 1.00 93.88 O +ATOM 5605 N PHE A 719 12.522 40.453 -5.282 1.00 93.69 N +ATOM 5606 CA PHE A 719 13.183 40.221 -4.006 1.00 93.69 C +ATOM 5607 C PHE A 719 14.706 40.264 -4.190 1.00 93.69 C +ATOM 5608 CB PHE A 719 12.727 38.879 -3.426 1.00 93.69 C +ATOM 5609 O PHE A 719 15.227 39.573 -5.069 1.00 93.69 O +ATOM 5610 CG PHE A 719 13.295 38.606 -2.045 1.00 93.69 C +ATOM 5611 CD1 PHE A 719 14.409 37.760 -1.888 1.00 93.69 C +ATOM 5612 CD2 PHE A 719 12.733 39.237 -0.919 1.00 93.69 C +ATOM 5613 CE1 PHE A 719 14.922 37.506 -0.606 1.00 93.69 C +ATOM 5614 CE2 PHE A 719 13.269 39.004 0.361 1.00 93.69 C +ATOM 5615 CZ PHE A 719 14.348 38.119 0.516 1.00 93.69 C +ATOM 5616 N PRO A 720 15.462 41.011 -3.360 1.00 92.00 N +ATOM 5617 CA PRO A 720 16.909 41.117 -3.524 1.00 92.00 C +ATOM 5618 C PRO A 720 17.600 39.750 -3.414 1.00 92.00 C +ATOM 5619 CB PRO A 720 17.376 42.093 -2.431 1.00 92.00 C +ATOM 5620 O PRO A 720 17.613 39.155 -2.337 1.00 92.00 O +ATOM 5621 CG PRO A 720 16.129 42.921 -2.125 1.00 92.00 C +ATOM 5622 CD PRO A 720 14.997 41.920 -2.322 1.00 92.00 C +ATOM 5623 N ARG A 721 18.247 39.265 -4.488 1.00 93.62 N +ATOM 5624 CA ARG A 721 18.916 37.941 -4.493 1.00 93.62 C +ATOM 5625 C ARG A 721 19.951 37.793 -3.367 1.00 93.62 C +ATOM 5626 CB ARG A 721 19.508 37.634 -5.889 1.00 93.62 C +ATOM 5627 O ARG A 721 20.083 36.718 -2.798 1.00 93.62 O +ATOM 5628 CG ARG A 721 19.997 36.172 -5.998 1.00 93.62 C +ATOM 5629 CD ARG A 721 20.588 35.768 -7.363 1.00 93.62 C +ATOM 5630 NE ARG A 721 19.568 35.613 -8.428 1.00 93.62 N +ATOM 5631 NH1 ARG A 721 19.873 37.643 -9.433 1.00 93.62 N +ATOM 5632 NH2 ARG A 721 18.285 36.320 -10.198 1.00 93.62 N +ATOM 5633 CZ ARG A 721 19.249 36.511 -9.345 1.00 93.62 C +ATOM 5634 N LYS A 722 20.614 38.887 -2.966 1.00 92.44 N +ATOM 5635 CA LYS A 722 21.537 38.939 -1.812 1.00 92.44 C +ATOM 5636 C LYS A 722 20.899 38.582 -0.455 1.00 92.44 C +ATOM 5637 CB LYS A 722 22.224 40.317 -1.758 1.00 92.44 C +ATOM 5638 O LYS A 722 21.616 38.210 0.465 1.00 92.44 O +ATOM 5639 CG LYS A 722 21.243 41.469 -1.483 1.00 92.44 C +ATOM 5640 CD LYS A 722 21.952 42.824 -1.396 1.00 92.44 C +ATOM 5641 CE LYS A 722 20.921 43.908 -1.060 1.00 92.44 C +ATOM 5642 NZ LYS A 722 21.538 45.257 -1.014 1.00 92.44 N +ATOM 5643 N ASN A 723 19.573 38.675 -0.331 1.00 93.38 N +ATOM 5644 CA ASN A 723 18.815 38.292 0.862 1.00 93.38 C +ATOM 5645 C ASN A 723 18.287 36.841 0.785 1.00 93.38 C +ATOM 5646 CB ASN A 723 17.658 39.289 1.088 1.00 93.38 C +ATOM 5647 O ASN A 723 17.498 36.442 1.643 1.00 93.38 O +ATOM 5648 CG ASN A 723 18.041 40.678 1.563 1.00 93.38 C +ATOM 5649 ND2 ASN A 723 17.117 41.348 2.210 1.00 93.38 N +ATOM 5650 OD1 ASN A 723 19.126 41.197 1.357 1.00 93.38 O +ATOM 5651 N LEU A 724 18.664 36.058 -0.234 1.00 94.50 N +ATOM 5652 CA LEU A 724 18.197 34.688 -0.456 1.00 94.50 C +ATOM 5653 C LEU A 724 19.371 33.702 -0.411 1.00 94.50 C +ATOM 5654 CB LEU A 724 17.461 34.637 -1.809 1.00 94.50 C +ATOM 5655 O LEU A 724 20.222 33.692 -1.297 1.00 94.50 O +ATOM 5656 CG LEU A 724 16.747 33.304 -2.094 1.00 94.50 C +ATOM 5657 CD1 LEU A 724 15.582 33.056 -1.131 1.00 94.50 C +ATOM 5658 CD2 LEU A 724 16.206 33.341 -3.522 1.00 94.50 C +ATOM 5659 N VAL A 725 19.395 32.832 0.599 1.00 94.56 N +ATOM 5660 CA VAL A 725 20.415 31.782 0.745 1.00 94.56 C +ATOM 5661 C VAL A 725 19.820 30.443 0.326 1.00 94.56 C +ATOM 5662 CB VAL A 725 20.983 31.754 2.175 1.00 94.56 C +ATOM 5663 O VAL A 725 18.940 29.910 1.002 1.00 94.56 O +ATOM 5664 CG1 VAL A 725 22.009 30.629 2.359 1.00 94.56 C +ATOM 5665 CG2 VAL A 725 21.688 33.080 2.496 1.00 94.56 C +ATOM 5666 N LEU A 726 20.287 29.907 -0.803 1.00 93.69 N +ATOM 5667 CA LEU A 726 19.868 28.605 -1.329 1.00 93.69 C +ATOM 5668 C LEU A 726 20.532 27.458 -0.547 1.00 93.69 C +ATOM 5669 CB LEU A 726 20.178 28.517 -2.837 1.00 93.69 C +ATOM 5670 O LEU A 726 21.691 27.555 -0.152 1.00 93.69 O +ATOM 5671 CG LEU A 726 19.603 29.653 -3.711 1.00 93.69 C +ATOM 5672 CD1 LEU A 726 19.983 29.417 -5.173 1.00 93.69 C +ATOM 5673 CD2 LEU A 726 18.080 29.768 -3.625 1.00 93.69 C +ATOM 5674 N GLY A 727 19.792 26.371 -0.331 1.00 91.25 N +ATOM 5675 CA GLY A 727 20.226 25.177 0.395 1.00 91.25 C +ATOM 5676 C GLY A 727 19.934 23.887 -0.378 1.00 91.25 C +ATOM 5677 O GLY A 727 20.045 23.846 -1.601 1.00 91.25 O +ATOM 5678 N LYS A 728 19.577 22.807 0.335 1.00 91.12 N +ATOM 5679 CA LYS A 728 19.408 21.471 -0.269 1.00 91.12 C +ATOM 5680 C LYS A 728 18.315 21.427 -1.346 1.00 91.12 C +ATOM 5681 CB LYS A 728 19.202 20.380 0.805 1.00 91.12 C +ATOM 5682 O LYS A 728 17.235 21.989 -1.156 1.00 91.12 O +ATOM 5683 CG LYS A 728 17.823 20.361 1.501 1.00 91.12 C +ATOM 5684 CD LYS A 728 17.709 19.156 2.452 1.00 91.12 C +ATOM 5685 CE LYS A 728 16.287 18.998 3.013 1.00 91.12 C +ATOM 5686 NZ LYS A 728 16.140 17.734 3.789 1.00 91.12 N +ATOM 5687 N THR A 729 18.554 20.676 -2.420 1.00 91.19 N +ATOM 5688 CA THR A 729 17.513 20.302 -3.390 1.00 91.19 C +ATOM 5689 C THR A 729 16.400 19.515 -2.693 1.00 91.19 C +ATOM 5690 CB THR A 729 18.098 19.501 -4.566 1.00 91.19 C +ATOM 5691 O THR A 729 16.665 18.636 -1.874 1.00 91.19 O +ATOM 5692 CG2 THR A 729 17.110 19.306 -5.716 1.00 91.19 C +ATOM 5693 OG1 THR A 729 19.200 20.190 -5.111 1.00 91.19 O +ATOM 5694 N LEU A 730 15.150 19.864 -2.996 1.00 87.88 N +ATOM 5695 CA LEU A 730 13.934 19.198 -2.518 1.00 87.88 C +ATOM 5696 C LEU A 730 13.326 18.290 -3.593 1.00 87.88 C +ATOM 5697 CB LEU A 730 12.911 20.267 -2.092 1.00 87.88 C +ATOM 5698 O LEU A 730 12.718 17.278 -3.261 1.00 87.88 O +ATOM 5699 CG LEU A 730 13.329 21.115 -0.881 1.00 87.88 C +ATOM 5700 CD1 LEU A 730 12.305 22.231 -0.667 1.00 87.88 C +ATOM 5701 CD2 LEU A 730 13.429 20.276 0.398 1.00 87.88 C +ATOM 5702 N GLY A 731 13.505 18.641 -4.866 1.00 83.00 N +ATOM 5703 CA GLY A 731 13.102 17.832 -6.011 1.00 83.00 C +ATOM 5704 C GLY A 731 13.542 18.472 -7.325 1.00 83.00 C +ATOM 5705 O GLY A 731 13.704 19.690 -7.405 1.00 83.00 O +ATOM 5706 N GLU A 732 13.737 17.655 -8.354 1.00 84.31 N +ATOM 5707 CA GLU A 732 14.095 18.094 -9.703 1.00 84.31 C +ATOM 5708 C GLU A 732 13.380 17.196 -10.726 1.00 84.31 C +ATOM 5709 CB GLU A 732 15.630 18.087 -9.848 1.00 84.31 C +ATOM 5710 O GLU A 732 13.298 15.982 -10.531 1.00 84.31 O +ATOM 5711 CG GLU A 732 16.098 18.789 -11.129 1.00 84.31 C +ATOM 5712 CD GLU A 732 17.622 19.010 -11.196 1.00 84.31 C +ATOM 5713 OE1 GLU A 732 18.151 18.941 -12.325 1.00 84.31 O +ATOM 5714 OE2 GLU A 732 18.244 19.348 -10.156 1.00 84.31 O +ATOM 5715 N GLY A 733 12.810 17.780 -11.781 1.00 76.00 N +ATOM 5716 CA GLY A 733 11.987 17.052 -12.749 1.00 76.00 C +ATOM 5717 C GLY A 733 11.434 17.936 -13.867 1.00 76.00 C +ATOM 5718 O GLY A 733 12.030 18.948 -14.231 1.00 76.00 O +ATOM 5719 N GLU A 734 10.286 17.559 -14.429 1.00 67.25 N +ATOM 5720 CA GLU A 734 9.606 18.322 -15.496 1.00 67.25 C +ATOM 5721 C GLU A 734 9.115 19.702 -15.019 1.00 67.25 C +ATOM 5722 CB GLU A 734 8.422 17.505 -16.042 1.00 67.25 C +ATOM 5723 O GLU A 734 9.035 20.634 -15.809 1.00 67.25 O +ATOM 5724 CG GLU A 734 8.821 16.157 -16.663 1.00 67.25 C +ATOM 5725 CD GLU A 734 9.717 16.330 -17.895 1.00 67.25 C +ATOM 5726 OE1 GLU A 734 10.956 16.249 -17.716 1.00 67.25 O +ATOM 5727 OE2 GLU A 734 9.146 16.505 -18.994 1.00 67.25 O +ATOM 5728 N PHE A 735 8.875 19.863 -13.713 1.00 72.62 N +ATOM 5729 CA PHE A 735 8.547 21.138 -13.060 1.00 72.62 C +ATOM 5730 C PHE A 735 9.775 22.052 -12.836 1.00 72.62 C +ATOM 5731 CB PHE A 735 7.808 20.828 -11.744 1.00 72.62 C +ATOM 5732 O PHE A 735 9.687 23.051 -12.124 1.00 72.62 O +ATOM 5733 CG PHE A 735 8.593 19.962 -10.769 1.00 72.62 C +ATOM 5734 CD1 PHE A 735 8.324 18.583 -10.681 1.00 72.62 C +ATOM 5735 CD2 PHE A 735 9.615 20.519 -9.974 1.00 72.62 C +ATOM 5736 CE1 PHE A 735 9.082 17.765 -9.824 1.00 72.62 C +ATOM 5737 CE2 PHE A 735 10.377 19.702 -9.119 1.00 72.62 C +ATOM 5738 CZ PHE A 735 10.112 18.324 -9.047 1.00 72.62 C +ATOM 5739 N GLY A 736 10.947 21.704 -13.374 1.00 83.88 N +ATOM 5740 CA GLY A 736 12.212 22.384 -13.089 1.00 83.88 C +ATOM 5741 C GLY A 736 12.904 21.849 -11.830 1.00 83.88 C +ATOM 5742 O GLY A 736 12.819 20.662 -11.513 1.00 83.88 O +ATOM 5743 N LYS A 737 13.620 22.724 -11.119 1.00 90.75 N +ATOM 5744 CA LYS A 737 14.412 22.418 -9.919 1.00 90.75 C +ATOM 5745 C LYS A 737 13.868 23.196 -8.725 1.00 90.75 C +ATOM 5746 CB LYS A 737 15.881 22.747 -10.229 1.00 90.75 C +ATOM 5747 O LYS A 737 13.670 24.405 -8.809 1.00 90.75 O +ATOM 5748 CG LYS A 737 16.872 22.385 -9.110 1.00 90.75 C +ATOM 5749 CD LYS A 737 18.298 22.602 -9.638 1.00 90.75 C +ATOM 5750 CE LYS A 737 19.372 22.048 -8.697 1.00 90.75 C +ATOM 5751 NZ LYS A 737 20.645 21.845 -9.439 1.00 90.75 N +ATOM 5752 N VAL A 738 13.639 22.518 -7.603 1.00 93.06 N +ATOM 5753 CA VAL A 738 13.154 23.125 -6.356 1.00 93.06 C +ATOM 5754 C VAL A 738 14.169 22.883 -5.248 1.00 93.06 C +ATOM 5755 CB VAL A 738 11.756 22.606 -5.964 1.00 93.06 C +ATOM 5756 O VAL A 738 14.537 21.741 -4.971 1.00 93.06 O +ATOM 5757 CG1 VAL A 738 11.253 23.280 -4.678 1.00 93.06 C +ATOM 5758 CG2 VAL A 738 10.715 22.907 -7.048 1.00 93.06 C +ATOM 5759 N VAL A 739 14.599 23.950 -4.576 1.00 94.81 N +ATOM 5760 CA VAL A 739 15.521 23.891 -3.428 1.00 94.81 C +ATOM 5761 C VAL A 739 14.883 24.499 -2.179 1.00 94.81 C +ATOM 5762 CB VAL A 739 16.895 24.527 -3.739 1.00 94.81 C +ATOM 5763 O VAL A 739 14.040 25.393 -2.269 1.00 94.81 O +ATOM 5764 CG1 VAL A 739 17.516 23.988 -5.037 1.00 94.81 C +ATOM 5765 CG2 VAL A 739 16.834 26.052 -3.853 1.00 94.81 C +ATOM 5766 N LYS A 740 15.294 24.039 -0.995 1.00 95.38 N +ATOM 5767 CA LYS A 740 15.015 24.724 0.274 1.00 95.38 C +ATOM 5768 C LYS A 740 15.914 25.953 0.351 1.00 95.38 C +ATOM 5769 CB LYS A 740 15.259 23.770 1.457 1.00 95.38 C +ATOM 5770 O LYS A 740 17.086 25.859 -0.003 1.00 95.38 O +ATOM 5771 CG LYS A 740 14.741 24.357 2.780 1.00 95.38 C +ATOM 5772 CD LYS A 740 14.897 23.384 3.960 1.00 95.38 C +ATOM 5773 CE LYS A 740 14.325 24.058 5.215 1.00 95.38 C +ATOM 5774 NZ LYS A 740 14.385 23.203 6.429 1.00 95.38 N +ATOM 5775 N ALA A 741 15.405 27.074 0.840 1.00 95.69 N +ATOM 5776 CA ALA A 741 16.185 28.292 1.013 1.00 95.69 C +ATOM 5777 C ALA A 741 15.749 29.083 2.254 1.00 95.69 C +ATOM 5778 CB ALA A 741 16.065 29.119 -0.272 1.00 95.69 C +ATOM 5779 O ALA A 741 14.703 28.823 2.857 1.00 95.69 O +ATOM 5780 N THR A 742 16.561 30.072 2.606 1.00 95.38 N +ATOM 5781 CA THR A 742 16.321 31.019 3.696 1.00 95.38 C +ATOM 5782 C THR A 742 16.258 32.426 3.114 1.00 95.38 C +ATOM 5783 CB THR A 742 17.432 30.903 4.749 1.00 95.38 C +ATOM 5784 O THR A 742 17.222 32.882 2.501 1.00 95.38 O +ATOM 5785 CG2 THR A 742 17.203 31.831 5.934 1.00 95.38 C +ATOM 5786 OG1 THR A 742 17.464 29.594 5.273 1.00 95.38 O +ATOM 5787 N ALA A 743 15.128 33.112 3.294 1.00 94.88 N +ATOM 5788 CA ALA A 743 14.921 34.480 2.821 1.00 94.88 C +ATOM 5789 C ALA A 743 14.912 35.471 3.994 1.00 94.88 C +ATOM 5790 CB ALA A 743 13.628 34.529 2.003 1.00 94.88 C +ATOM 5791 O ALA A 743 14.099 35.347 4.913 1.00 94.88 O +ATOM 5792 N PHE A 744 15.801 36.462 3.956 1.00 94.00 N +ATOM 5793 CA PHE A 744 15.961 37.491 4.987 1.00 94.00 C +ATOM 5794 C PHE A 744 15.138 38.745 4.663 1.00 94.00 C +ATOM 5795 CB PHE A 744 17.451 37.824 5.148 1.00 94.00 C +ATOM 5796 O PHE A 744 15.119 39.210 3.523 1.00 94.00 O +ATOM 5797 CG PHE A 744 18.286 36.670 5.673 1.00 94.00 C +ATOM 5798 CD1 PHE A 744 18.490 36.526 7.059 1.00 94.00 C +ATOM 5799 CD2 PHE A 744 18.855 35.734 4.788 1.00 94.00 C +ATOM 5800 CE1 PHE A 744 19.256 35.455 7.554 1.00 94.00 C +ATOM 5801 CE2 PHE A 744 19.611 34.658 5.284 1.00 94.00 C +ATOM 5802 CZ PHE A 744 19.815 34.520 6.667 1.00 94.00 C +ATOM 5803 N HIS A 745 14.484 39.331 5.667 1.00 88.31 N +ATOM 5804 CA HIS A 745 13.635 40.525 5.512 1.00 88.31 C +ATOM 5805 C HIS A 745 12.422 40.348 4.573 1.00 88.31 C +ATOM 5806 CB HIS A 745 14.482 41.774 5.221 1.00 88.31 C +ATOM 5807 O HIS A 745 11.927 41.299 3.960 1.00 88.31 O +ATOM 5808 CG HIS A 745 15.603 41.943 6.212 1.00 88.31 C +ATOM 5809 CD2 HIS A 745 16.904 41.554 6.042 1.00 88.31 C +ATOM 5810 ND1 HIS A 745 15.489 42.444 7.489 1.00 88.31 N +ATOM 5811 CE1 HIS A 745 16.699 42.368 8.071 1.00 88.31 C +ATOM 5812 NE2 HIS A 745 17.588 41.822 7.229 1.00 88.31 N +ATOM 5813 N LEU A 746 11.926 39.113 4.446 1.00 84.25 N +ATOM 5814 CA LEU A 746 10.829 38.764 3.547 1.00 84.25 C +ATOM 5815 C LEU A 746 9.541 39.531 3.904 1.00 84.25 C +ATOM 5816 CB LEU A 746 10.647 37.237 3.577 1.00 84.25 C +ATOM 5817 O LEU A 746 9.066 39.491 5.040 1.00 84.25 O +ATOM 5818 CG LEU A 746 9.770 36.675 2.445 1.00 84.25 C +ATOM 5819 CD1 LEU A 746 10.412 36.881 1.069 1.00 84.25 C +ATOM 5820 CD2 LEU A 746 9.578 35.183 2.695 1.00 84.25 C +ATOM 5821 N LYS A 747 8.978 40.246 2.920 1.00 75.12 N +ATOM 5822 CA LYS A 747 7.808 41.138 3.079 1.00 75.12 C +ATOM 5823 C LYS A 747 7.960 42.164 4.219 1.00 75.12 C +ATOM 5824 CB LYS A 747 6.491 40.329 3.129 1.00 75.12 C +ATOM 5825 O LYS A 747 6.988 42.484 4.898 1.00 75.12 O +ATOM 5826 CG LYS A 747 6.314 39.499 1.849 1.00 75.12 C +ATOM 5827 CD LYS A 747 4.924 38.870 1.674 1.00 75.12 C +ATOM 5828 CE LYS A 747 4.977 38.147 0.319 1.00 75.12 C +ATOM 5829 NZ LYS A 747 3.686 37.563 -0.135 1.00 75.12 N +ATOM 5830 N GLY A 748 9.181 42.666 4.433 1.00 73.44 N +ATOM 5831 CA GLY A 748 9.481 43.735 5.394 1.00 73.44 C +ATOM 5832 C GLY A 748 9.509 43.307 6.866 1.00 73.44 C +ATOM 5833 O GLY A 748 9.671 44.158 7.736 1.00 73.44 O +ATOM 5834 N ARG A 749 9.366 42.011 7.172 1.00 75.62 N +ATOM 5835 CA ARG A 749 9.459 41.497 8.548 1.00 75.62 C +ATOM 5836 C ARG A 749 10.917 41.312 8.960 1.00 75.62 C +ATOM 5837 CB ARG A 749 8.684 40.180 8.678 1.00 75.62 C +ATOM 5838 O ARG A 749 11.710 40.804 8.176 1.00 75.62 O +ATOM 5839 CG ARG A 749 7.176 40.406 8.507 1.00 75.62 C +ATOM 5840 CD ARG A 749 6.413 39.097 8.718 1.00 75.62 C +ATOM 5841 NE ARG A 749 4.956 39.333 8.727 1.00 75.62 N +ATOM 5842 NH1 ARG A 749 4.318 37.249 9.448 1.00 75.62 N +ATOM 5843 NH2 ARG A 749 2.785 38.854 9.210 1.00 75.62 N +ATOM 5844 CZ ARG A 749 4.030 38.479 9.122 1.00 75.62 C +ATOM 5845 N ALA A 750 11.270 41.681 10.189 1.00 76.06 N +ATOM 5846 CA ALA A 750 12.591 41.388 10.741 1.00 76.06 C +ATOM 5847 C ALA A 750 12.815 39.867 10.880 1.00 76.06 C +ATOM 5848 CB ALA A 750 12.750 42.125 12.076 1.00 76.06 C +ATOM 5849 O ALA A 750 11.878 39.119 11.158 1.00 76.06 O +ATOM 5850 N GLY A 751 14.062 39.421 10.701 1.00 86.38 N +ATOM 5851 CA GLY A 751 14.448 38.008 10.762 1.00 86.38 C +ATOM 5852 C GLY A 751 14.470 37.300 9.402 1.00 86.38 C +ATOM 5853 O GLY A 751 14.578 37.929 8.343 1.00 86.38 O +ATOM 5854 N TYR A 752 14.404 35.968 9.443 1.00 88.88 N +ATOM 5855 CA TYR A 752 14.445 35.094 8.271 1.00 88.88 C +ATOM 5856 C TYR A 752 13.184 34.230 8.166 1.00 88.88 C +ATOM 5857 CB TYR A 752 15.723 34.243 8.288 1.00 88.88 C +ATOM 5858 O TYR A 752 12.511 33.952 9.154 1.00 88.88 O +ATOM 5859 CG TYR A 752 15.779 33.152 9.347 1.00 88.88 C +ATOM 5860 CD1 TYR A 752 16.362 33.416 10.603 1.00 88.88 C +ATOM 5861 CD2 TYR A 752 15.256 31.871 9.076 1.00 88.88 C +ATOM 5862 CE1 TYR A 752 16.415 32.409 11.588 1.00 88.88 C +ATOM 5863 CE2 TYR A 752 15.315 30.859 10.054 1.00 88.88 C +ATOM 5864 OH TYR A 752 15.934 30.144 12.249 1.00 88.88 O +ATOM 5865 CZ TYR A 752 15.890 31.127 11.313 1.00 88.88 C +ATOM 5866 N THR A 753 12.859 33.790 6.953 1.00 91.44 N +ATOM 5867 CA THR A 753 11.766 32.849 6.673 1.00 91.44 C +ATOM 5868 C THR A 753 12.312 31.653 5.898 1.00 91.44 C +ATOM 5869 CB THR A 753 10.641 33.547 5.895 1.00 91.44 C +ATOM 5870 O THR A 753 13.078 31.827 4.949 1.00 91.44 O +ATOM 5871 CG2 THR A 753 9.424 32.654 5.654 1.00 91.44 C +ATOM 5872 OG1 THR A 753 10.174 34.654 6.630 1.00 91.44 O +ATOM 5873 N THR A 754 11.917 30.438 6.287 1.00 93.69 N +ATOM 5874 CA THR A 754 12.193 29.231 5.492 1.00 93.69 C +ATOM 5875 C THR A 754 11.253 29.203 4.291 1.00 93.69 C +ATOM 5876 CB THR A 754 12.028 27.947 6.316 1.00 93.69 C +ATOM 5877 O THR A 754 10.035 29.268 4.453 1.00 93.69 O +ATOM 5878 CG2 THR A 754 12.313 26.692 5.494 1.00 93.69 C +ATOM 5879 OG1 THR A 754 12.961 27.914 7.370 1.00 93.69 O +ATOM 5880 N VAL A 755 11.814 29.095 3.092 1.00 95.50 N +ATOM 5881 CA VAL A 755 11.085 29.149 1.817 1.00 95.50 C +ATOM 5882 C VAL A 755 11.522 28.005 0.901 1.00 95.50 C +ATOM 5883 CB VAL A 755 11.253 30.527 1.138 1.00 95.50 C +ATOM 5884 O VAL A 755 12.570 27.385 1.109 1.00 95.50 O +ATOM 5885 CG1 VAL A 755 10.697 31.662 2.005 1.00 95.50 C +ATOM 5886 CG2 VAL A 755 12.710 30.859 0.807 1.00 95.50 C +ATOM 5887 N ALA A 756 10.721 27.714 -0.117 1.00 96.25 N +ATOM 5888 CA ALA A 756 11.156 26.926 -1.263 1.00 96.25 C +ATOM 5889 C ALA A 756 11.436 27.869 -2.440 1.00 96.25 C +ATOM 5890 CB ALA A 756 10.112 25.850 -1.574 1.00 96.25 C +ATOM 5891 O ALA A 756 10.775 28.898 -2.591 1.00 96.25 O +ATOM 5892 N VAL A 757 12.424 27.529 -3.263 1.00 96.38 N +ATOM 5893 CA VAL A 757 12.778 28.295 -4.461 1.00 96.38 C +ATOM 5894 C VAL A 757 12.691 27.382 -5.670 1.00 96.38 C +ATOM 5895 CB VAL A 757 14.155 28.965 -4.337 1.00 96.38 C +ATOM 5896 O VAL A 757 13.458 26.422 -5.766 1.00 96.38 O +ATOM 5897 CG1 VAL A 757 14.502 29.753 -5.603 1.00 96.38 C +ATOM 5898 CG2 VAL A 757 14.176 29.953 -3.168 1.00 96.38 C +ATOM 5899 N LYS A 758 11.756 27.684 -6.576 1.00 94.69 N +ATOM 5900 CA LYS A 758 11.593 27.007 -7.868 1.00 94.69 C +ATOM 5901 C LYS A 758 12.378 27.776 -8.929 1.00 94.69 C +ATOM 5902 CB LYS A 758 10.094 26.852 -8.188 1.00 94.69 C +ATOM 5903 O LYS A 758 12.289 29.001 -9.007 1.00 94.69 O +ATOM 5904 CG LYS A 758 9.787 25.886 -9.350 1.00 94.69 C +ATOM 5905 CD LYS A 758 8.270 25.647 -9.444 1.00 94.69 C +ATOM 5906 CE LYS A 758 7.892 24.591 -10.495 1.00 94.69 C +ATOM 5907 NZ LYS A 758 6.422 24.475 -10.657 1.00 94.69 N +ATOM 5908 N MET A 759 13.185 27.062 -9.699 1.00 93.50 N +ATOM 5909 CA MET A 759 14.079 27.601 -10.722 1.00 93.50 C +ATOM 5910 C MET A 759 14.171 26.631 -11.902 1.00 93.50 C +ATOM 5911 CB MET A 759 15.462 27.893 -10.104 1.00 93.50 C +ATOM 5912 O MET A 759 13.747 25.476 -11.819 1.00 93.50 O +ATOM 5913 CG MET A 759 16.241 26.628 -9.713 1.00 93.50 C +ATOM 5914 SD MET A 759 17.750 26.894 -8.742 1.00 93.50 S +ATOM 5915 CE MET A 759 17.005 27.309 -7.148 1.00 93.50 C +ATOM 5916 N LEU A 760 14.752 27.086 -13.006 1.00 90.69 N +ATOM 5917 CA LEU A 760 15.040 26.222 -14.146 1.00 90.69 C +ATOM 5918 C LEU A 760 16.179 25.233 -13.847 1.00 90.69 C +ATOM 5919 CB LEU A 760 15.329 27.101 -15.372 1.00 90.69 C +ATOM 5920 O LEU A 760 17.067 25.503 -13.039 1.00 90.69 O +ATOM 5921 CG LEU A 760 14.122 27.926 -15.858 1.00 90.69 C +ATOM 5922 CD1 LEU A 760 14.515 28.708 -17.106 1.00 90.69 C +ATOM 5923 CD2 LEU A 760 12.898 27.073 -16.205 1.00 90.69 C +ATOM 5924 N LYS A 761 16.153 24.079 -14.523 1.00 88.25 N +ATOM 5925 CA LYS A 761 17.298 23.156 -14.597 1.00 88.25 C +ATOM 5926 C LYS A 761 18.421 23.790 -15.422 1.00 88.25 C +ATOM 5927 CB LYS A 761 16.868 21.812 -15.214 1.00 88.25 C +ATOM 5928 O LYS A 761 18.162 24.633 -16.277 1.00 88.25 O +ATOM 5929 CG LYS A 761 15.866 21.048 -14.330 1.00 88.25 C +ATOM 5930 CD LYS A 761 15.300 19.781 -14.993 1.00 88.25 C +ATOM 5931 CE LYS A 761 14.542 20.141 -16.280 1.00 88.25 C +ATOM 5932 NZ LYS A 761 13.468 19.184 -16.637 1.00 88.25 N +ATOM 5933 N GLU A 762 19.654 23.326 -15.230 1.00 82.94 N +ATOM 5934 CA GLU A 762 20.839 23.810 -15.966 1.00 82.94 C +ATOM 5935 C GLU A 762 20.720 23.633 -17.492 1.00 82.94 C +ATOM 5936 CB GLU A 762 22.081 23.061 -15.451 1.00 82.94 C +ATOM 5937 O GLU A 762 21.347 24.357 -18.258 1.00 82.94 O +ATOM 5938 CG GLU A 762 22.408 23.428 -13.993 1.00 82.94 C +ATOM 5939 CD GLU A 762 23.517 22.569 -13.368 1.00 82.94 C +ATOM 5940 OE1 GLU A 762 23.551 22.549 -12.113 1.00 82.94 O +ATOM 5941 OE2 GLU A 762 24.276 21.919 -14.122 1.00 82.94 O +ATOM 5942 N ASN A 763 19.884 22.692 -17.938 1.00 81.81 N +ATOM 5943 CA ASN A 763 19.600 22.377 -19.336 1.00 81.81 C +ATOM 5944 C ASN A 763 18.128 22.633 -19.730 1.00 81.81 C +ATOM 5945 CB ASN A 763 20.041 20.925 -19.598 1.00 81.81 C +ATOM 5946 O ASN A 763 17.587 21.910 -20.567 1.00 81.81 O +ATOM 5947 CG ASN A 763 19.181 19.900 -18.869 1.00 81.81 C +ATOM 5948 ND2 ASN A 763 18.929 18.766 -19.479 1.00 81.81 N +ATOM 5949 OD1 ASN A 763 18.733 20.079 -17.748 1.00 81.81 O +ATOM 5950 N ALA A 764 17.459 23.600 -19.096 1.00 79.12 N +ATOM 5951 CA ALA A 764 16.041 23.863 -19.331 1.00 79.12 C +ATOM 5952 C ALA A 764 15.727 24.394 -20.742 1.00 79.12 C +ATOM 5953 CB ALA A 764 15.517 24.820 -18.264 1.00 79.12 C +ATOM 5954 O ALA A 764 16.437 25.217 -21.321 1.00 79.12 O +ATOM 5955 N SER A 765 14.591 23.949 -21.264 1.00 80.75 N +ATOM 5956 CA SER A 765 14.013 24.372 -22.533 1.00 80.75 C +ATOM 5957 C SER A 765 13.290 25.729 -22.433 1.00 80.75 C +ATOM 5958 CB SER A 765 13.046 23.287 -23.026 1.00 80.75 C +ATOM 5959 O SER A 765 12.747 26.075 -21.380 1.00 80.75 O +ATOM 5960 OG SER A 765 11.926 23.165 -22.163 1.00 80.75 O +ATOM 5961 N PRO A 766 13.133 26.468 -23.550 1.00 78.94 N +ATOM 5962 CA PRO A 766 12.281 27.661 -23.594 1.00 78.94 C +ATOM 5963 C PRO A 766 10.809 27.389 -23.234 1.00 78.94 C +ATOM 5964 CB PRO A 766 12.409 28.199 -25.024 1.00 78.94 C +ATOM 5965 O PRO A 766 10.089 28.302 -22.840 1.00 78.94 O +ATOM 5966 CG PRO A 766 13.775 27.686 -25.479 1.00 78.94 C +ATOM 5967 CD PRO A 766 13.864 26.321 -24.800 1.00 78.94 C +ATOM 5968 N SER A 767 10.339 26.141 -23.362 1.00 75.69 N +ATOM 5969 CA SER A 767 9.029 25.723 -22.844 1.00 75.69 C +ATOM 5970 C SER A 767 8.974 25.722 -21.322 1.00 75.69 C +ATOM 5971 CB SER A 767 8.595 24.347 -23.368 1.00 75.69 C +ATOM 5972 O SER A 767 8.010 26.245 -20.783 1.00 75.69 O +ATOM 5973 OG SER A 767 9.667 23.541 -23.823 1.00 75.69 O +ATOM 5974 N GLU A 768 9.994 25.208 -20.635 1.00 81.62 N +ATOM 5975 CA GLU A 768 10.042 25.222 -19.166 1.00 81.62 C +ATOM 5976 C GLU A 768 10.175 26.652 -18.623 1.00 81.62 C +ATOM 5977 CB GLU A 768 11.191 24.329 -18.676 1.00 81.62 C +ATOM 5978 O GLU A 768 9.566 26.971 -17.608 1.00 81.62 O +ATOM 5979 CG GLU A 768 10.882 22.837 -18.886 1.00 81.62 C +ATOM 5980 CD GLU A 768 12.163 22.006 -18.926 1.00 81.62 C +ATOM 5981 OE1 GLU A 768 12.362 21.123 -18.065 1.00 81.62 O +ATOM 5982 OE2 GLU A 768 12.962 22.253 -19.858 1.00 81.62 O +ATOM 5983 N LEU A 769 10.874 27.552 -19.333 1.00 85.25 N +ATOM 5984 CA LEU A 769 10.862 28.987 -19.013 1.00 85.25 C +ATOM 5985 C LEU A 769 9.455 29.595 -19.141 1.00 85.25 C +ATOM 5986 CB LEU A 769 11.894 29.733 -19.883 1.00 85.25 C +ATOM 5987 O LEU A 769 9.034 30.333 -18.254 1.00 85.25 O +ATOM 5988 CG LEU A 769 11.910 31.267 -19.685 1.00 85.25 C +ATOM 5989 CD1 LEU A 769 12.230 31.719 -18.256 1.00 85.25 C +ATOM 5990 CD2 LEU A 769 12.949 31.893 -20.614 1.00 85.25 C +ATOM 5991 N ARG A 770 8.708 29.284 -20.211 1.00 82.62 N +ATOM 5992 CA ARG A 770 7.320 29.760 -20.367 1.00 82.62 C +ATOM 5993 C ARG A 770 6.376 29.171 -19.325 1.00 82.62 C +ATOM 5994 CB ARG A 770 6.778 29.464 -21.769 1.00 82.62 C +ATOM 5995 O ARG A 770 5.560 29.914 -18.793 1.00 82.62 O +ATOM 5996 CG ARG A 770 7.333 30.431 -22.824 1.00 82.62 C +ATOM 5997 CD ARG A 770 6.619 30.236 -24.169 1.00 82.62 C +ATOM 5998 NE ARG A 770 6.788 28.862 -24.688 1.00 82.62 N +ATOM 5999 NH1 ARG A 770 8.697 29.225 -25.912 1.00 82.62 N +ATOM 6000 NH2 ARG A 770 7.791 27.188 -25.856 1.00 82.62 N +ATOM 6001 CZ ARG A 770 7.756 28.436 -25.477 1.00 82.62 C +ATOM 6002 N ASP A 771 6.501 27.883 -19.018 1.00 82.88 N +ATOM 6003 CA ASP A 771 5.695 27.223 -17.990 1.00 82.88 C +ATOM 6004 C ASP A 771 5.995 27.853 -16.601 1.00 82.88 C +ATOM 6005 CB ASP A 771 5.928 25.693 -18.039 1.00 82.88 C +ATOM 6006 O ASP A 771 5.067 28.193 -15.868 1.00 82.88 O +ATOM 6007 CG ASP A 771 5.466 24.940 -19.317 1.00 82.88 C +ATOM 6008 OD1 ASP A 771 4.689 25.439 -20.165 1.00 82.88 O +ATOM 6009 OD2 ASP A 771 5.835 23.752 -19.483 1.00 82.88 O +ATOM 6010 N LEU A 772 7.265 28.153 -16.278 1.00 88.88 N +ATOM 6011 CA LEU A 772 7.665 28.854 -15.041 1.00 88.88 C +ATOM 6012 C LEU A 772 7.195 30.326 -14.995 1.00 88.88 C +ATOM 6013 CB LEU A 772 9.198 28.738 -14.885 1.00 88.88 C +ATOM 6014 O LEU A 772 6.793 30.819 -13.941 1.00 88.88 O +ATOM 6015 CG LEU A 772 9.762 29.221 -13.532 1.00 88.88 C +ATOM 6016 CD1 LEU A 772 9.317 28.328 -12.372 1.00 88.88 C +ATOM 6017 CD2 LEU A 772 11.293 29.194 -13.550 1.00 88.88 C +ATOM 6018 N LEU A 773 7.206 31.042 -16.126 1.00 88.44 N +ATOM 6019 CA LEU A 773 6.658 32.406 -16.227 1.00 88.44 C +ATOM 6020 C LEU A 773 5.123 32.426 -16.128 1.00 88.44 C +ATOM 6021 CB LEU A 773 7.115 33.055 -17.548 1.00 88.44 C +ATOM 6022 O LEU A 773 4.560 33.343 -15.529 1.00 88.44 O +ATOM 6023 CG LEU A 773 8.581 33.528 -17.566 1.00 88.44 C +ATOM 6024 CD1 LEU A 773 8.968 33.923 -18.993 1.00 88.44 C +ATOM 6025 CD2 LEU A 773 8.802 34.749 -16.669 1.00 88.44 C +ATOM 6026 N SER A 774 4.444 31.421 -16.686 1.00 85.81 N +ATOM 6027 CA SER A 774 2.995 31.233 -16.553 1.00 85.81 C +ATOM 6028 C SER A 774 2.621 30.993 -15.092 1.00 85.81 C +ATOM 6029 CB SER A 774 2.539 30.075 -17.447 1.00 85.81 C +ATOM 6030 O SER A 774 1.790 31.720 -14.545 1.00 85.81 O +ATOM 6031 OG SER A 774 1.138 29.903 -17.388 1.00 85.81 O +ATOM 6032 N GLU A 775 3.330 30.084 -14.418 1.00 90.25 N +ATOM 6033 CA GLU A 775 3.176 29.850 -12.984 1.00 90.25 C +ATOM 6034 C GLU A 775 3.431 31.122 -12.165 1.00 90.25 C +ATOM 6035 CB GLU A 775 4.115 28.717 -12.564 1.00 90.25 C +ATOM 6036 O GLU A 775 2.615 31.454 -11.308 1.00 90.25 O +ATOM 6037 CG GLU A 775 4.047 28.419 -11.060 1.00 90.25 C +ATOM 6038 CD GLU A 775 4.882 27.194 -10.710 1.00 90.25 C +ATOM 6039 OE1 GLU A 775 4.463 26.380 -9.853 1.00 90.25 O +ATOM 6040 OE2 GLU A 775 5.972 27.033 -11.297 1.00 90.25 O +ATOM 6041 N PHE A 776 4.494 31.885 -12.453 1.00 92.62 N +ATOM 6042 CA PHE A 776 4.743 33.170 -11.789 1.00 92.62 C +ATOM 6043 C PHE A 776 3.554 34.126 -11.949 1.00 92.62 C +ATOM 6044 CB PHE A 776 6.037 33.801 -12.333 1.00 92.62 C +ATOM 6045 O PHE A 776 3.079 34.680 -10.959 1.00 92.62 O +ATOM 6046 CG PHE A 776 6.488 35.122 -11.712 1.00 92.62 C +ATOM 6047 CD1 PHE A 776 7.173 36.059 -12.513 1.00 92.62 C +ATOM 6048 CD2 PHE A 776 6.306 35.401 -10.340 1.00 92.62 C +ATOM 6049 CE1 PHE A 776 7.686 37.244 -11.954 1.00 92.62 C +ATOM 6050 CE2 PHE A 776 6.817 36.589 -9.781 1.00 92.62 C +ATOM 6051 CZ PHE A 776 7.515 37.507 -10.584 1.00 92.62 C +ATOM 6052 N ASN A 777 3.030 34.289 -13.166 1.00 90.25 N +ATOM 6053 CA ASN A 777 1.915 35.195 -13.447 1.00 90.25 C +ATOM 6054 C ASN A 777 0.593 34.764 -12.792 1.00 90.25 C +ATOM 6055 CB ASN A 777 1.770 35.339 -14.970 1.00 90.25 C +ATOM 6056 O ASN A 777 -0.157 35.631 -12.335 1.00 90.25 O +ATOM 6057 CG ASN A 777 2.864 36.192 -15.588 1.00 90.25 C +ATOM 6058 ND2 ASN A 777 3.151 35.984 -16.851 1.00 90.25 N +ATOM 6059 OD1 ASN A 777 3.440 37.078 -14.970 1.00 90.25 O +ATOM 6060 N VAL A 778 0.313 33.460 -12.696 1.00 89.88 N +ATOM 6061 CA VAL A 778 -0.853 32.937 -11.962 1.00 89.88 C +ATOM 6062 C VAL A 778 -0.669 33.140 -10.455 1.00 89.88 C +ATOM 6063 CB VAL A 778 -1.107 31.456 -12.314 1.00 89.88 C +ATOM 6064 O VAL A 778 -1.548 33.688 -9.789 1.00 89.88 O +ATOM 6065 CG1 VAL A 778 -2.228 30.851 -11.460 1.00 89.88 C +ATOM 6066 CG2 VAL A 778 -1.528 31.311 -13.783 1.00 89.88 C +ATOM 6067 N LEU A 779 0.507 32.803 -9.919 1.00 93.75 N +ATOM 6068 CA LEU A 779 0.846 32.934 -8.497 1.00 93.75 C +ATOM 6069 C LEU A 779 0.849 34.384 -7.971 1.00 93.75 C +ATOM 6070 CB LEU A 779 2.195 32.244 -8.246 1.00 93.75 C +ATOM 6071 O LEU A 779 0.722 34.592 -6.764 1.00 93.75 O +ATOM 6072 CG LEU A 779 2.186 30.704 -8.217 1.00 93.75 C +ATOM 6073 CD1 LEU A 779 3.601 30.222 -7.886 1.00 93.75 C +ATOM 6074 CD2 LEU A 779 1.249 30.132 -7.150 1.00 93.75 C +ATOM 6075 N LYS A 780 0.943 35.394 -8.846 1.00 92.88 N +ATOM 6076 CA LYS A 780 0.725 36.812 -8.487 1.00 92.88 C +ATOM 6077 C LYS A 780 -0.743 37.154 -8.194 1.00 92.88 C +ATOM 6078 CB LYS A 780 1.217 37.719 -9.624 1.00 92.88 C +ATOM 6079 O LYS A 780 -1.005 38.156 -7.523 1.00 92.88 O +ATOM 6080 CG LYS A 780 2.742 37.772 -9.767 1.00 92.88 C +ATOM 6081 CD LYS A 780 3.106 38.654 -10.965 1.00 92.88 C +ATOM 6082 CE LYS A 780 4.615 38.662 -11.198 1.00 92.88 C +ATOM 6083 NZ LYS A 780 4.970 39.605 -12.282 1.00 92.88 N +ATOM 6084 N GLN A 781 -1.683 36.380 -8.736 1.00 90.25 N +ATOM 6085 CA GLN A 781 -3.125 36.657 -8.709 1.00 90.25 C +ATOM 6086 C GLN A 781 -3.856 35.845 -7.631 1.00 90.25 C +ATOM 6087 CB GLN A 781 -3.721 36.373 -10.098 1.00 90.25 C +ATOM 6088 O GLN A 781 -4.826 36.331 -7.053 1.00 90.25 O +ATOM 6089 CG GLN A 781 -3.095 37.247 -11.197 1.00 90.25 C +ATOM 6090 CD GLN A 781 -3.627 36.883 -12.575 1.00 90.25 C +ATOM 6091 NE2 GLN A 781 -2.779 36.511 -13.506 1.00 90.25 N +ATOM 6092 OE1 GLN A 781 -4.813 36.931 -12.833 1.00 90.25 O +ATOM 6093 N VAL A 782 -3.373 34.636 -7.329 1.00 93.00 N +ATOM 6094 CA VAL A 782 -3.991 33.724 -6.353 1.00 93.00 C +ATOM 6095 C VAL A 782 -3.463 33.928 -4.928 1.00 93.00 C +ATOM 6096 CB VAL A 782 -3.890 32.251 -6.798 1.00 93.00 C +ATOM 6097 O VAL A 782 -2.264 34.074 -4.694 1.00 93.00 O +ATOM 6098 CG1 VAL A 782 -4.649 32.044 -8.112 1.00 93.00 C +ATOM 6099 CG2 VAL A 782 -2.459 31.748 -6.986 1.00 93.00 C +ATOM 6100 N ASN A 783 -4.358 33.913 -3.939 1.00 93.25 N +ATOM 6101 CA ASN A 783 -4.008 33.987 -2.517 1.00 93.25 C +ATOM 6102 C ASN A 783 -5.102 33.330 -1.660 1.00 93.25 C +ATOM 6103 CB ASN A 783 -3.791 35.467 -2.150 1.00 93.25 C +ATOM 6104 O ASN A 783 -6.069 33.979 -1.269 1.00 93.25 O +ATOM 6105 CG ASN A 783 -3.417 35.714 -0.695 1.00 93.25 C +ATOM 6106 ND2 ASN A 783 -3.758 36.879 -0.198 1.00 93.25 N +ATOM 6107 OD1 ASN A 783 -2.782 34.933 0.008 1.00 93.25 O +ATOM 6108 N HIS A 784 -4.929 32.045 -1.350 1.00 96.19 N +ATOM 6109 CA HIS A 784 -5.878 31.239 -0.579 1.00 96.19 C +ATOM 6110 C HIS A 784 -5.122 30.294 0.376 1.00 96.19 C +ATOM 6111 CB HIS A 784 -6.756 30.471 -1.576 1.00 96.19 C +ATOM 6112 O HIS A 784 -4.032 29.847 0.013 1.00 96.19 O +ATOM 6113 CG HIS A 784 -7.828 29.640 -0.931 1.00 96.19 C +ATOM 6114 CD2 HIS A 784 -9.005 30.113 -0.419 1.00 96.19 C +ATOM 6115 ND1 HIS A 784 -7.807 28.278 -0.729 1.00 96.19 N +ATOM 6116 CE1 HIS A 784 -8.941 27.943 -0.086 1.00 96.19 C +ATOM 6117 NE2 HIS A 784 -9.678 29.034 0.152 1.00 96.19 N +ATOM 6118 N PRO A 785 -5.644 29.945 1.574 1.00 96.12 N +ATOM 6119 CA PRO A 785 -4.948 29.066 2.523 1.00 96.12 C +ATOM 6120 C PRO A 785 -4.492 27.723 1.937 1.00 96.12 C +ATOM 6121 CB PRO A 785 -5.933 28.854 3.678 1.00 96.12 C +ATOM 6122 O PRO A 785 -3.441 27.222 2.345 1.00 96.12 O +ATOM 6123 CG PRO A 785 -6.733 30.154 3.681 1.00 96.12 C +ATOM 6124 CD PRO A 785 -6.863 30.456 2.191 1.00 96.12 C +ATOM 6125 N HIS A 786 -5.244 27.198 0.963 1.00 97.50 N +ATOM 6126 CA HIS A 786 -5.003 25.916 0.289 1.00 97.50 C +ATOM 6127 C HIS A 786 -4.397 26.023 -1.120 1.00 97.50 C +ATOM 6128 CB HIS A 786 -6.276 25.057 0.362 1.00 97.50 C +ATOM 6129 O HIS A 786 -4.381 25.048 -1.866 1.00 97.50 O +ATOM 6130 CG HIS A 786 -6.618 24.763 1.796 1.00 97.50 C +ATOM 6131 CD2 HIS A 786 -7.742 25.124 2.493 1.00 97.50 C +ATOM 6132 ND1 HIS A 786 -5.752 24.172 2.684 1.00 97.50 N +ATOM 6133 CE1 HIS A 786 -6.330 24.183 3.892 1.00 97.50 C +ATOM 6134 NE2 HIS A 786 -7.530 24.774 3.833 1.00 97.50 N +ATOM 6135 N VAL A 787 -3.852 27.185 -1.482 1.00 96.56 N +ATOM 6136 CA VAL A 787 -3.028 27.383 -2.687 1.00 96.56 C +ATOM 6137 C VAL A 787 -1.610 27.754 -2.246 1.00 96.56 C +ATOM 6138 CB VAL A 787 -3.667 28.435 -3.615 1.00 96.56 C +ATOM 6139 O VAL A 787 -1.436 28.423 -1.224 1.00 96.56 O +ATOM 6140 CG1 VAL A 787 -2.769 28.769 -4.808 1.00 96.56 C +ATOM 6141 CG2 VAL A 787 -5.010 27.933 -4.168 1.00 96.56 C +ATOM 6142 N ILE A 788 -0.584 27.290 -2.964 1.00 96.00 N +ATOM 6143 CA ILE A 788 0.810 27.580 -2.613 1.00 96.00 C +ATOM 6144 C ILE A 788 1.078 29.089 -2.693 1.00 96.00 C +ATOM 6145 CB ILE A 788 1.795 26.729 -3.450 1.00 96.00 C +ATOM 6146 O ILE A 788 0.743 29.754 -3.674 1.00 96.00 O +ATOM 6147 CG1 ILE A 788 3.198 26.655 -2.813 1.00 96.00 C +ATOM 6148 CG2 ILE A 788 1.929 27.226 -4.899 1.00 96.00 C +ATOM 6149 CD1 ILE A 788 3.212 25.895 -1.479 1.00 96.00 C +ATOM 6150 N LYS A 789 1.653 29.660 -1.632 1.00 94.69 N +ATOM 6151 CA LYS A 789 1.781 31.115 -1.520 1.00 94.69 C +ATOM 6152 C LYS A 789 3.076 31.631 -2.138 1.00 94.69 C +ATOM 6153 CB LYS A 789 1.611 31.502 -0.051 1.00 94.69 C +ATOM 6154 O LYS A 789 4.163 31.241 -1.716 1.00 94.69 O +ATOM 6155 CG LYS A 789 1.492 33.018 0.136 1.00 94.69 C +ATOM 6156 CD LYS A 789 0.903 33.293 1.521 1.00 94.69 C +ATOM 6157 CE LYS A 789 0.627 34.785 1.705 1.00 94.69 C +ATOM 6158 NZ LYS A 789 -0.403 34.993 2.751 1.00 94.69 N +ATOM 6159 N LEU A 790 2.957 32.589 -3.056 1.00 95.19 N +ATOM 6160 CA LEU A 790 4.087 33.369 -3.558 1.00 95.19 C +ATOM 6161 C LEU A 790 4.541 34.404 -2.522 1.00 95.19 C +ATOM 6162 CB LEU A 790 3.701 34.009 -4.898 1.00 95.19 C +ATOM 6163 O LEU A 790 3.751 35.184 -1.959 1.00 95.19 O +ATOM 6164 CG LEU A 790 4.833 34.707 -5.681 1.00 95.19 C +ATOM 6165 CD1 LEU A 790 5.929 33.741 -6.135 1.00 95.19 C +ATOM 6166 CD2 LEU A 790 4.264 35.377 -6.931 1.00 95.19 C +ATOM 6167 N TYR A 791 5.846 34.438 -2.281 1.00 94.31 N +ATOM 6168 CA TYR A 791 6.471 35.454 -1.450 1.00 94.31 C +ATOM 6169 C TYR A 791 7.197 36.527 -2.256 1.00 94.31 C +ATOM 6170 CB TYR A 791 7.366 34.814 -0.396 1.00 94.31 C +ATOM 6171 O TYR A 791 7.126 37.688 -1.856 1.00 94.31 O +ATOM 6172 CG TYR A 791 6.678 33.901 0.606 1.00 94.31 C +ATOM 6173 CD1 TYR A 791 5.464 34.275 1.224 1.00 94.31 C +ATOM 6174 CD2 TYR A 791 7.318 32.712 0.999 1.00 94.31 C +ATOM 6175 CE1 TYR A 791 4.887 33.460 2.217 1.00 94.31 C +ATOM 6176 CE2 TYR A 791 6.769 31.920 2.021 1.00 94.31 C +ATOM 6177 OH TYR A 791 5.021 31.480 3.584 1.00 94.31 O +ATOM 6178 CZ TYR A 791 5.546 32.277 2.618 1.00 94.31 C +ATOM 6179 N GLY A 792 7.805 36.156 -3.380 1.00 93.94 N +ATOM 6180 CA GLY A 792 8.477 37.053 -4.316 1.00 93.94 C +ATOM 6181 C GLY A 792 9.193 36.268 -5.414 1.00 93.94 C +ATOM 6182 O GLY A 792 9.031 35.051 -5.513 1.00 93.94 O +ATOM 6183 N ALA A 793 10.004 36.946 -6.212 1.00 95.50 N +ATOM 6184 CA ALA A 793 10.891 36.340 -7.193 1.00 95.50 C +ATOM 6185 C ALA A 793 12.202 37.129 -7.306 1.00 95.50 C +ATOM 6186 CB ALA A 793 10.167 36.261 -8.543 1.00 95.50 C +ATOM 6187 O ALA A 793 12.233 38.314 -6.998 1.00 95.50 O +ATOM 6188 N CYS A 794 13.273 36.494 -7.771 1.00 94.31 N +ATOM 6189 CA CYS A 794 14.441 37.199 -8.301 1.00 94.31 C +ATOM 6190 C CYS A 794 14.401 37.042 -9.824 1.00 94.31 C +ATOM 6191 CB CYS A 794 15.742 36.637 -7.700 1.00 94.31 C +ATOM 6192 O CYS A 794 14.718 35.957 -10.318 1.00 94.31 O +ATOM 6193 SG CYS A 794 15.697 36.570 -5.884 1.00 94.31 S +ATOM 6194 N SER A 795 13.967 38.073 -10.549 1.00 91.81 N +ATOM 6195 CA SER A 795 13.892 38.089 -12.014 1.00 91.81 C +ATOM 6196 C SER A 795 15.089 38.773 -12.677 1.00 91.81 C +ATOM 6197 CB SER A 795 12.579 38.728 -12.482 1.00 91.81 C +ATOM 6198 O SER A 795 15.418 38.426 -13.810 1.00 91.81 O +ATOM 6199 OG SER A 795 12.542 40.126 -12.276 1.00 91.81 O +ATOM 6200 N GLN A 796 15.758 39.699 -11.982 1.00 87.19 N +ATOM 6201 CA GLN A 796 16.911 40.444 -12.509 1.00 87.19 C +ATOM 6202 C GLN A 796 18.257 39.825 -12.085 1.00 87.19 C +ATOM 6203 CB GLN A 796 16.798 41.928 -12.113 1.00 87.19 C +ATOM 6204 O GLN A 796 18.303 38.944 -11.225 1.00 87.19 O +ATOM 6205 CG GLN A 796 15.469 42.586 -12.534 1.00 87.19 C +ATOM 6206 CD GLN A 796 15.113 42.366 -14.006 1.00 87.19 C +ATOM 6207 NE2 GLN A 796 14.014 41.698 -14.288 1.00 87.19 N +ATOM 6208 OE1 GLN A 796 15.826 42.756 -14.923 1.00 87.19 O +ATOM 6209 N ASP A 797 19.366 40.271 -12.686 1.00 82.44 N +ATOM 6210 CA ASP A 797 20.766 39.968 -12.315 1.00 82.44 C +ATOM 6211 C ASP A 797 21.151 38.475 -12.173 1.00 82.44 C +ATOM 6212 CB ASP A 797 21.173 40.797 -11.082 1.00 82.44 C +ATOM 6213 O ASP A 797 22.033 38.118 -11.386 1.00 82.44 O +ATOM 6214 CG ASP A 797 20.983 42.302 -11.274 1.00 82.44 C +ATOM 6215 OD1 ASP A 797 21.151 42.767 -12.425 1.00 82.44 O +ATOM 6216 OD2 ASP A 797 20.690 42.960 -10.253 1.00 82.44 O +ATOM 6217 N GLY A 798 20.460 37.566 -12.865 1.00 85.12 N +ATOM 6218 CA GLY A 798 20.701 36.122 -12.782 1.00 85.12 C +ATOM 6219 C GLY A 798 19.474 35.287 -13.167 1.00 85.12 C +ATOM 6220 O GLY A 798 18.521 35.834 -13.718 1.00 85.12 O +ATOM 6221 N PRO A 799 19.460 33.972 -12.875 1.00 88.25 N +ATOM 6222 CA PRO A 799 18.343 33.098 -13.231 1.00 88.25 C +ATOM 6223 C PRO A 799 17.053 33.496 -12.504 1.00 88.25 C +ATOM 6224 CB PRO A 799 18.790 31.683 -12.848 1.00 88.25 C +ATOM 6225 O PRO A 799 17.105 33.972 -11.364 1.00 88.25 O +ATOM 6226 CG PRO A 799 19.776 31.926 -11.705 1.00 88.25 C +ATOM 6227 CD PRO A 799 20.461 33.228 -12.122 1.00 88.25 C +ATOM 6228 N LEU A 800 15.905 33.234 -13.142 1.00 91.81 N +ATOM 6229 CA LEU A 800 14.585 33.405 -12.536 1.00 91.81 C +ATOM 6230 C LEU A 800 14.418 32.445 -11.351 1.00 91.81 C +ATOM 6231 CB LEU A 800 13.477 33.205 -13.590 1.00 91.81 C +ATOM 6232 O LEU A 800 14.429 31.223 -11.521 1.00 91.81 O +ATOM 6233 CG LEU A 800 12.043 33.376 -13.039 1.00 91.81 C +ATOM 6234 CD1 LEU A 800 11.776 34.791 -12.514 1.00 91.81 C +ATOM 6235 CD2 LEU A 800 11.014 33.067 -14.127 1.00 91.81 C +ATOM 6236 N LEU A 801 14.237 33.011 -10.160 1.00 94.81 N +ATOM 6237 CA LEU A 801 13.984 32.283 -8.917 1.00 94.81 C +ATOM 6238 C LEU A 801 12.588 32.643 -8.403 1.00 94.81 C +ATOM 6239 CB LEU A 801 15.057 32.662 -7.871 1.00 94.81 C +ATOM 6240 O LEU A 801 12.371 33.800 -8.059 1.00 94.81 O +ATOM 6241 CG LEU A 801 16.528 32.473 -8.278 1.00 94.81 C +ATOM 6242 CD1 LEU A 801 17.441 32.797 -7.094 1.00 94.81 C +ATOM 6243 CD2 LEU A 801 16.842 31.051 -8.738 1.00 94.81 C +ATOM 6244 N LEU A 802 11.657 31.692 -8.302 1.00 95.38 N +ATOM 6245 CA LEU A 802 10.348 31.920 -7.675 1.00 95.38 C +ATOM 6246 C LEU A 802 10.394 31.507 -6.203 1.00 95.38 C +ATOM 6247 CB LEU A 802 9.230 31.170 -8.422 1.00 95.38 C +ATOM 6248 O LEU A 802 10.645 30.342 -5.896 1.00 95.38 O +ATOM 6249 CG LEU A 802 9.112 31.456 -9.929 1.00 95.38 C +ATOM 6250 CD1 LEU A 802 7.814 30.832 -10.440 1.00 95.38 C +ATOM 6251 CD2 LEU A 802 9.095 32.950 -10.257 1.00 95.38 C +ATOM 6252 N ILE A 803 10.147 32.451 -5.294 1.00 96.00 N +ATOM 6253 CA ILE A 803 10.229 32.256 -3.842 1.00 96.00 C +ATOM 6254 C ILE A 803 8.825 31.983 -3.301 1.00 96.00 C +ATOM 6255 CB ILE A 803 10.872 33.478 -3.145 1.00 96.00 C +ATOM 6256 O ILE A 803 7.978 32.880 -3.263 1.00 96.00 O +ATOM 6257 CG1 ILE A 803 12.204 33.908 -3.805 1.00 96.00 C +ATOM 6258 CG2 ILE A 803 11.094 33.142 -1.659 1.00 96.00 C +ATOM 6259 CD1 ILE A 803 12.735 35.236 -3.261 1.00 96.00 C +ATOM 6260 N VAL A 804 8.583 30.752 -2.856 1.00 95.38 N +ATOM 6261 CA VAL A 804 7.263 30.263 -2.429 1.00 95.38 C +ATOM 6262 C VAL A 804 7.292 29.647 -1.025 1.00 95.38 C +ATOM 6263 CB VAL A 804 6.655 29.295 -3.473 1.00 95.38 C +ATOM 6264 O VAL A 804 8.347 29.414 -0.430 1.00 95.38 O +ATOM 6265 CG1 VAL A 804 6.506 29.953 -4.852 1.00 95.38 C +ATOM 6266 CG2 VAL A 804 7.455 28.000 -3.639 1.00 95.38 C +ATOM 6267 N GLU A 805 6.107 29.401 -0.474 1.00 94.56 N +ATOM 6268 CA GLU A 805 5.899 28.695 0.794 1.00 94.56 C +ATOM 6269 C GLU A 805 6.581 27.312 0.821 1.00 94.56 C +ATOM 6270 CB GLU A 805 4.385 28.638 1.039 1.00 94.56 C +ATOM 6271 O GLU A 805 6.506 26.537 -0.132 1.00 94.56 O +ATOM 6272 CG GLU A 805 3.941 27.958 2.341 1.00 94.56 C +ATOM 6273 CD GLU A 805 2.423 28.097 2.572 1.00 94.56 C +ATOM 6274 OE1 GLU A 805 1.945 27.845 3.701 1.00 94.56 O +ATOM 6275 OE2 GLU A 805 1.669 28.453 1.632 1.00 94.56 O +ATOM 6276 N TYR A 806 7.262 26.992 1.926 1.00 94.88 N +ATOM 6277 CA TYR A 806 7.943 25.709 2.108 1.00 94.88 C +ATOM 6278 C TYR A 806 6.986 24.649 2.671 1.00 94.88 C +ATOM 6279 CB TYR A 806 9.176 25.898 3.001 1.00 94.88 C +ATOM 6280 O TYR A 806 6.610 24.687 3.843 1.00 94.88 O +ATOM 6281 CG TYR A 806 9.878 24.603 3.379 1.00 94.88 C +ATOM 6282 CD1 TYR A 806 9.921 24.198 4.728 1.00 94.88 C +ATOM 6283 CD2 TYR A 806 10.449 23.782 2.385 1.00 94.88 C +ATOM 6284 CE1 TYR A 806 10.559 22.997 5.090 1.00 94.88 C +ATOM 6285 CE2 TYR A 806 11.044 22.554 2.739 1.00 94.88 C +ATOM 6286 OH TYR A 806 11.714 21.004 4.442 1.00 94.88 O +ATOM 6287 CZ TYR A 806 11.112 22.170 4.093 1.00 94.88 C +ATOM 6288 N ALA A 807 6.624 23.666 1.847 1.00 93.69 N +ATOM 6289 CA ALA A 807 5.819 22.524 2.267 1.00 93.69 C +ATOM 6290 C ALA A 807 6.705 21.403 2.845 1.00 93.69 C +ATOM 6291 CB ALA A 807 4.976 22.073 1.076 1.00 93.69 C +ATOM 6292 O ALA A 807 7.351 20.662 2.100 1.00 93.69 O +ATOM 6293 N LYS A 808 6.770 21.297 4.181 1.00 90.38 N +ATOM 6294 CA LYS A 808 7.778 20.466 4.868 1.00 90.38 C +ATOM 6295 C LYS A 808 7.670 18.955 4.612 1.00 90.38 C +ATOM 6296 CB LYS A 808 7.873 20.826 6.366 1.00 90.38 C +ATOM 6297 O LYS A 808 8.699 18.288 4.669 1.00 90.38 O +ATOM 6298 CG LYS A 808 6.750 20.297 7.280 1.00 90.38 C +ATOM 6299 CD LYS A 808 6.965 20.767 8.735 1.00 90.38 C +ATOM 6300 CE LYS A 808 6.015 20.061 9.714 1.00 90.38 C +ATOM 6301 NZ LYS A 808 6.204 20.489 11.126 1.00 90.38 N +ATOM 6302 N TYR A 809 6.485 18.442 4.270 1.00 90.56 N +ATOM 6303 CA TYR A 809 6.255 17.019 3.974 1.00 90.56 C +ATOM 6304 C TYR A 809 6.254 16.695 2.462 1.00 90.56 C +ATOM 6305 CB TYR A 809 4.969 16.544 4.663 1.00 90.56 C +ATOM 6306 O TYR A 809 5.911 15.584 2.064 1.00 90.56 O +ATOM 6307 CG TYR A 809 4.838 16.845 6.145 1.00 90.56 C +ATOM 6308 CD1 TYR A 809 5.415 15.992 7.108 1.00 90.56 C +ATOM 6309 CD2 TYR A 809 4.078 17.953 6.561 1.00 90.56 C +ATOM 6310 CE1 TYR A 809 5.219 16.240 8.484 1.00 90.56 C +ATOM 6311 CE2 TYR A 809 3.869 18.196 7.928 1.00 90.56 C +ATOM 6312 OH TYR A 809 4.241 17.633 10.205 1.00 90.56 O +ATOM 6313 CZ TYR A 809 4.433 17.338 8.895 1.00 90.56 C +ATOM 6314 N GLY A 810 6.642 17.645 1.599 1.00 92.00 N +ATOM 6315 CA GLY A 810 6.760 17.418 0.154 1.00 92.00 C +ATOM 6316 C GLY A 810 5.413 17.287 -0.568 1.00 92.00 C +ATOM 6317 O GLY A 810 4.453 17.979 -0.230 1.00 92.00 O +ATOM 6318 N SER A 811 5.351 16.439 -1.601 1.00 93.94 N +ATOM 6319 CA SER A 811 4.113 16.185 -2.357 1.00 93.94 C +ATOM 6320 C SER A 811 3.179 15.222 -1.624 1.00 93.94 C +ATOM 6321 CB SER A 811 4.380 15.680 -3.782 1.00 93.94 C +ATOM 6322 O SER A 811 3.629 14.277 -0.974 1.00 93.94 O +ATOM 6323 OG SER A 811 4.981 14.392 -3.788 1.00 93.94 O +ATOM 6324 N LEU A 812 1.869 15.404 -1.797 1.00 96.12 N +ATOM 6325 CA LEU A 812 0.836 14.551 -1.208 1.00 96.12 C +ATOM 6326 C LEU A 812 0.996 13.086 -1.638 1.00 96.12 C +ATOM 6327 CB LEU A 812 -0.536 15.140 -1.582 1.00 96.12 C +ATOM 6328 O LEU A 812 0.890 12.192 -0.805 1.00 96.12 O +ATOM 6329 CG LEU A 812 -1.750 14.332 -1.096 1.00 96.12 C +ATOM 6330 CD1 LEU A 812 -1.806 14.221 0.427 1.00 96.12 C +ATOM 6331 CD2 LEU A 812 -3.028 15.007 -1.588 1.00 96.12 C +ATOM 6332 N ARG A 813 1.345 12.818 -2.903 1.00 94.38 N +ATOM 6333 CA ARG A 813 1.643 11.455 -3.380 1.00 94.38 C +ATOM 6334 C ARG A 813 2.853 10.830 -2.679 1.00 94.38 C +ATOM 6335 CB ARG A 813 1.821 11.469 -4.905 1.00 94.38 C +ATOM 6336 O ARG A 813 2.858 9.617 -2.482 1.00 94.38 O +ATOM 6337 CG ARG A 813 2.001 10.061 -5.498 1.00 94.38 C +ATOM 6338 CD ARG A 813 1.953 10.134 -7.028 1.00 94.38 C +ATOM 6339 NE ARG A 813 2.172 8.822 -7.673 1.00 94.38 N +ATOM 6340 NH1 ARG A 813 4.466 8.882 -7.801 1.00 94.38 N +ATOM 6341 NH2 ARG A 813 3.352 7.297 -8.900 1.00 94.38 N +ATOM 6342 CZ ARG A 813 3.321 8.338 -8.115 1.00 94.38 C +ATOM 6343 N GLY A 814 3.867 11.621 -2.326 1.00 91.69 N +ATOM 6344 CA GLY A 814 4.998 11.163 -1.513 1.00 91.69 C +ATOM 6345 C GLY A 814 4.552 10.838 -0.089 1.00 91.69 C +ATOM 6346 O GLY A 814 4.675 9.697 0.350 1.00 91.69 O +ATOM 6347 N PHE A 815 3.925 11.811 0.573 1.00 93.00 N +ATOM 6348 CA PHE A 815 3.425 11.711 1.945 1.00 93.00 C +ATOM 6349 C PHE A 815 2.477 10.513 2.162 1.00 93.00 C +ATOM 6350 CB PHE A 815 2.747 13.050 2.267 1.00 93.00 C +ATOM 6351 O PHE A 815 2.681 9.712 3.073 1.00 93.00 O +ATOM 6352 CG PHE A 815 2.223 13.153 3.680 1.00 93.00 C +ATOM 6353 CD1 PHE A 815 0.837 13.143 3.926 1.00 93.00 C +ATOM 6354 CD2 PHE A 815 3.127 13.247 4.754 1.00 93.00 C +ATOM 6355 CE1 PHE A 815 0.362 13.230 5.244 1.00 93.00 C +ATOM 6356 CE2 PHE A 815 2.649 13.332 6.073 1.00 93.00 C +ATOM 6357 CZ PHE A 815 1.266 13.315 6.319 1.00 93.00 C +ATOM 6358 N LEU A 816 1.499 10.317 1.271 1.00 92.94 N +ATOM 6359 CA LEU A 816 0.583 9.169 1.310 1.00 92.94 C +ATOM 6360 C LEU A 816 1.296 7.822 1.100 1.00 92.94 C +ATOM 6361 CB LEU A 816 -0.482 9.336 0.215 1.00 92.94 C +ATOM 6362 O LEU A 816 0.884 6.810 1.657 1.00 92.94 O +ATOM 6363 CG LEU A 816 -1.517 10.453 0.421 1.00 92.94 C +ATOM 6364 CD1 LEU A 816 -2.321 10.608 -0.870 1.00 92.94 C +ATOM 6365 CD2 LEU A 816 -2.495 10.150 1.554 1.00 92.94 C +ATOM 6366 N ARG A 817 2.365 7.774 0.296 1.00 91.50 N +ATOM 6367 CA ARG A 817 3.142 6.539 0.094 1.00 91.50 C +ATOM 6368 C ARG A 817 4.052 6.217 1.269 1.00 91.50 C +ATOM 6369 CB ARG A 817 3.954 6.625 -1.199 1.00 91.50 C +ATOM 6370 O ARG A 817 4.338 5.043 1.492 1.00 91.50 O +ATOM 6371 CG ARG A 817 3.046 6.391 -2.403 1.00 91.50 C +ATOM 6372 CD ARG A 817 3.854 6.525 -3.693 1.00 91.50 C +ATOM 6373 NE ARG A 817 2.998 6.175 -4.830 1.00 91.50 N +ATOM 6374 NH1 ARG A 817 4.549 5.321 -6.297 1.00 91.50 N +ATOM 6375 NH2 ARG A 817 2.340 5.251 -6.746 1.00 91.50 N +ATOM 6376 CZ ARG A 817 3.316 5.580 -5.955 1.00 91.50 C +ATOM 6377 N GLU A 818 4.503 7.224 2.011 1.00 86.19 N +ATOM 6378 CA GLU A 818 5.277 7.023 3.235 1.00 86.19 C +ATOM 6379 C GLU A 818 4.434 6.393 4.349 1.00 86.19 C +ATOM 6380 CB GLU A 818 5.912 8.341 3.699 1.00 86.19 C +ATOM 6381 O GLU A 818 4.925 5.477 5.010 1.00 86.19 O +ATOM 6382 CG GLU A 818 7.085 8.749 2.794 1.00 86.19 C +ATOM 6383 CD GLU A 818 7.744 10.067 3.227 1.00 86.19 C +ATOM 6384 OE1 GLU A 818 8.482 10.633 2.394 1.00 86.19 O +ATOM 6385 OE2 GLU A 818 7.579 10.471 4.406 1.00 86.19 O +ATOM 6386 N SER A 819 3.162 6.786 4.508 1.00 81.81 N +ATOM 6387 CA SER A 819 2.282 6.211 5.544 1.00 81.81 C +ATOM 6388 C SER A 819 2.042 4.704 5.371 1.00 81.81 C +ATOM 6389 CB SER A 819 0.944 6.952 5.618 1.00 81.81 C +ATOM 6390 O SER A 819 1.895 3.990 6.361 1.00 81.81 O +ATOM 6391 OG SER A 819 0.145 6.666 4.488 1.00 81.81 O +ATOM 6392 N ARG A 820 2.118 4.176 4.137 1.00 78.81 N +ATOM 6393 CA ARG A 820 2.040 2.726 3.854 1.00 78.81 C +ATOM 6394 C ARG A 820 3.084 1.896 4.613 1.00 78.81 C +ATOM 6395 CB ARG A 820 2.225 2.449 2.356 1.00 78.81 C +ATOM 6396 O ARG A 820 2.859 0.712 4.838 1.00 78.81 O +ATOM 6397 CG ARG A 820 1.176 3.086 1.434 1.00 78.81 C +ATOM 6398 CD ARG A 820 1.518 2.671 -0.002 1.00 78.81 C +ATOM 6399 NE ARG A 820 0.539 3.168 -0.984 1.00 78.81 N +ATOM 6400 NH1 ARG A 820 0.810 1.529 -2.569 1.00 78.81 N +ATOM 6401 NH2 ARG A 820 -0.761 3.065 -2.847 1.00 78.81 N +ATOM 6402 CZ ARG A 820 0.205 2.596 -2.123 1.00 78.81 C +ATOM 6403 N LYS A 821 4.222 2.492 4.992 1.00 63.50 N +ATOM 6404 CA LYS A 821 5.312 1.814 5.720 1.00 63.50 C +ATOM 6405 C LYS A 821 5.065 1.694 7.230 1.00 63.50 C +ATOM 6406 CB LYS A 821 6.642 2.537 5.464 1.00 63.50 C +ATOM 6407 O LYS A 821 5.853 1.045 7.905 1.00 63.50 O +ATOM 6408 CG LYS A 821 7.044 2.577 3.983 1.00 63.50 C +ATOM 6409 CD LYS A 821 8.409 3.260 3.855 1.00 63.50 C +ATOM 6410 CE LYS A 821 8.866 3.295 2.396 1.00 63.50 C +ATOM 6411 NZ LYS A 821 10.200 3.934 2.282 1.00 63.50 N +ATOM 6412 N VAL A 822 4.011 2.327 7.751 1.00 54.94 N +ATOM 6413 CA VAL A 822 3.693 2.420 9.191 1.00 54.94 C +ATOM 6414 C VAL A 822 2.461 1.562 9.550 1.00 54.94 C +ATOM 6415 CB VAL A 822 3.560 3.907 9.624 1.00 54.94 C +ATOM 6416 O VAL A 822 1.925 1.646 10.648 1.00 54.94 O +ATOM 6417 CG1 VAL A 822 3.688 4.115 11.141 1.00 54.94 C +ATOM 6418 CG2 VAL A 822 4.653 4.798 8.998 1.00 54.94 C +ATOM 6419 N GLY A 823 1.979 0.726 8.620 1.00 46.44 N +ATOM 6420 CA GLY A 823 0.828 -0.152 8.848 1.00 46.44 C +ATOM 6421 C GLY A 823 1.086 -1.244 9.906 1.00 46.44 C +ATOM 6422 O GLY A 823 2.237 -1.634 10.117 1.00 46.44 O +ATOM 6423 N PRO A 824 0.026 -1.801 10.528 1.00 39.38 N +ATOM 6424 CA PRO A 824 0.105 -2.642 11.736 1.00 39.38 C +ATOM 6425 C PRO A 824 0.793 -4.017 11.578 1.00 39.38 C +ATOM 6426 CB PRO A 824 -1.347 -2.764 12.231 1.00 39.38 C +ATOM 6427 O PRO A 824 0.784 -4.813 12.508 1.00 39.38 O +ATOM 6428 CG PRO A 824 -2.181 -2.576 10.967 1.00 39.38 C +ATOM 6429 CD PRO A 824 -1.370 -1.538 10.197 1.00 39.38 C +ATOM 6430 N GLY A 825 1.410 -4.316 10.430 1.00 37.84 N +ATOM 6431 CA GLY A 825 2.109 -5.581 10.165 1.00 37.84 C +ATOM 6432 C GLY A 825 3.606 -5.609 10.513 1.00 37.84 C +ATOM 6433 O GLY A 825 4.230 -6.652 10.347 1.00 37.84 O +ATOM 6434 N TYR A 826 4.205 -4.497 10.964 1.00 39.03 N +ATOM 6435 CA TYR A 826 5.671 -4.366 11.112 1.00 39.03 C +ATOM 6436 C TYR A 826 6.208 -4.292 12.555 1.00 39.03 C +ATOM 6437 CB TYR A 826 6.186 -3.236 10.203 1.00 39.03 C +ATOM 6438 O TYR A 826 7.401 -4.078 12.753 1.00 39.03 O +ATOM 6439 CG TYR A 826 6.365 -3.687 8.765 1.00 39.03 C +ATOM 6440 CD1 TYR A 826 7.492 -4.460 8.420 1.00 39.03 C +ATOM 6441 CD2 TYR A 826 5.401 -3.371 7.789 1.00 39.03 C +ATOM 6442 CE1 TYR A 826 7.658 -4.923 7.101 1.00 39.03 C +ATOM 6443 CE2 TYR A 826 5.567 -3.827 6.466 1.00 39.03 C +ATOM 6444 OH TYR A 826 6.847 -5.046 4.845 1.00 39.03 O +ATOM 6445 CZ TYR A 826 6.693 -4.606 6.121 1.00 39.03 C +ATOM 6446 N LEU A 827 5.375 -4.543 13.569 1.00 34.44 N +ATOM 6447 CA LEU A 827 5.794 -4.599 14.982 1.00 34.44 C +ATOM 6448 C LEU A 827 6.383 -5.965 15.417 1.00 34.44 C +ATOM 6449 CB LEU A 827 4.616 -4.122 15.863 1.00 34.44 C +ATOM 6450 O LEU A 827 6.683 -6.150 16.591 1.00 34.44 O +ATOM 6451 CG LEU A 827 4.552 -2.584 15.976 1.00 34.44 C +ATOM 6452 CD1 LEU A 827 3.151 -2.114 16.362 1.00 34.44 C +ATOM 6453 CD2 LEU A 827 5.533 -2.063 17.030 1.00 34.44 C +ATOM 6454 N GLY A 828 6.561 -6.921 14.491 1.00 29.66 N +ATOM 6455 CA GLY A 828 6.788 -8.342 14.812 1.00 29.66 C +ATOM 6456 C GLY A 828 8.094 -9.006 14.344 1.00 29.66 C +ATOM 6457 O GLY A 828 8.178 -10.231 14.398 1.00 29.66 O +ATOM 6458 N SER A 829 9.111 -8.288 13.847 1.00 32.94 N +ATOM 6459 CA SER A 829 10.412 -8.918 13.524 1.00 32.94 C +ATOM 6460 C SER A 829 11.592 -7.951 13.562 1.00 32.94 C +ATOM 6461 CB SER A 829 10.369 -9.621 12.162 1.00 32.94 C +ATOM 6462 O SER A 829 11.618 -6.939 12.864 1.00 32.94 O +ATOM 6463 OG SER A 829 9.931 -10.950 12.347 1.00 32.94 O +ATOM 6464 N GLY A 830 12.604 -8.289 14.366 1.00 27.59 N +ATOM 6465 CA GLY A 830 13.832 -7.509 14.497 1.00 27.59 C +ATOM 6466 C GLY A 830 14.740 -7.647 13.274 1.00 27.59 C +ATOM 6467 O GLY A 830 15.241 -8.731 12.993 1.00 27.59 O +ATOM 6468 N GLY A 831 15.000 -6.536 12.579 1.00 31.17 N +ATOM 6469 CA GLY A 831 15.861 -6.505 11.394 1.00 31.17 C +ATOM 6470 C GLY A 831 16.514 -5.141 11.160 1.00 31.17 C +ATOM 6471 O GLY A 831 15.943 -4.290 10.496 1.00 31.17 O +ATOM 6472 N SER A 832 17.727 -4.968 11.694 1.00 31.80 N +ATOM 6473 CA SER A 832 18.714 -3.909 11.403 1.00 31.80 C +ATOM 6474 C SER A 832 18.248 -2.439 11.321 1.00 31.80 C +ATOM 6475 CB SER A 832 19.522 -4.269 10.153 1.00 31.80 C +ATOM 6476 O SER A 832 17.759 -1.949 10.306 1.00 31.80 O +ATOM 6477 OG SER A 832 20.761 -3.588 10.203 1.00 31.80 O +ATOM 6478 N ARG A 833 18.613 -1.663 12.352 1.00 29.02 N +ATOM 6479 CA ARG A 833 18.715 -0.191 12.292 1.00 29.02 C +ATOM 6480 C ARG A 833 19.652 0.244 11.149 1.00 29.02 C +ATOM 6481 CB ARG A 833 19.305 0.323 13.623 1.00 29.02 C +ATOM 6482 O ARG A 833 20.699 -0.379 10.998 1.00 29.02 O +ATOM 6483 CG ARG A 833 18.403 0.118 14.853 1.00 29.02 C +ATOM 6484 CD ARG A 833 19.177 0.416 16.149 1.00 29.02 C +ATOM 6485 NE ARG A 833 18.279 0.473 17.324 1.00 29.02 N +ATOM 6486 NH1 ARG A 833 19.788 -0.097 18.972 1.00 29.02 N +ATOM 6487 NH2 ARG A 833 17.700 0.436 19.527 1.00 29.02 N +ATOM 6488 CZ ARG A 833 18.595 0.270 18.594 1.00 29.02 C +ATOM 6489 N ASN A 834 19.294 1.310 10.413 1.00 27.84 N +ATOM 6490 CA ASN A 834 20.181 2.363 9.856 1.00 27.84 C +ATOM 6491 C ASN A 834 19.438 3.270 8.838 1.00 27.84 C +ATOM 6492 CB ASN A 834 21.474 1.790 9.215 1.00 27.84 C +ATOM 6493 O ASN A 834 19.562 3.090 7.632 1.00 27.84 O +ATOM 6494 CG ASN A 834 22.604 1.571 10.213 1.00 27.84 C +ATOM 6495 ND2 ASN A 834 23.627 0.845 9.831 1.00 27.84 N +ATOM 6496 OD1 ASN A 834 22.601 2.069 11.328 1.00 27.84 O +ATOM 6497 N SER A 835 18.686 4.277 9.304 1.00 35.19 N +ATOM 6498 CA SER A 835 18.290 5.438 8.478 1.00 35.19 C +ATOM 6499 C SER A 835 17.863 6.621 9.357 1.00 35.19 C +ATOM 6500 CB SER A 835 17.149 5.097 7.512 1.00 35.19 C +ATOM 6501 O SER A 835 16.955 6.504 10.178 1.00 35.19 O +ATOM 6502 OG SER A 835 16.953 6.180 6.621 1.00 35.19 O +ATOM 6503 N SER A 836 18.518 7.770 9.197 1.00 34.75 N +ATOM 6504 CA SER A 836 18.410 8.962 10.055 1.00 34.75 C +ATOM 6505 C SER A 836 17.258 9.911 9.671 1.00 34.75 C +ATOM 6506 CB SER A 836 19.774 9.671 10.077 1.00 34.75 C +ATOM 6507 O SER A 836 17.434 11.125 9.632 1.00 34.75 O +ATOM 6508 OG SER A 836 20.299 9.781 8.762 1.00 34.75 O +ATOM 6509 N SER A 837 16.076 9.365 9.358 1.00 37.94 N +ATOM 6510 CA SER A 837 14.941 10.125 8.788 1.00 37.94 C +ATOM 6511 C SER A 837 13.614 9.997 9.567 1.00 37.94 C +ATOM 6512 CB SER A 837 14.780 9.739 7.310 1.00 37.94 C +ATOM 6513 O SER A 837 12.547 10.336 9.038 1.00 37.94 O +ATOM 6514 OG SER A 837 13.812 10.559 6.687 1.00 37.94 O +ATOM 6515 N LEU A 838 13.655 9.489 10.801 1.00 33.56 N +ATOM 6516 CA LEU A 838 12.477 9.222 11.635 1.00 33.56 C +ATOM 6517 C LEU A 838 12.374 10.178 12.830 1.00 33.56 C +ATOM 6518 CB LEU A 838 12.435 7.732 12.033 1.00 33.56 C +ATOM 6519 O LEU A 838 12.360 9.755 13.983 1.00 33.56 O +ATOM 6520 CG LEU A 838 12.108 6.775 10.873 1.00 33.56 C +ATOM 6521 CD1 LEU A 838 12.283 5.331 11.340 1.00 33.56 C +ATOM 6522 CD2 LEU A 838 10.668 6.938 10.373 1.00 33.56 C +ATOM 6523 N ASP A 839 12.227 11.470 12.540 1.00 35.22 N +ATOM 6524 CA ASP A 839 11.557 12.361 13.483 1.00 35.22 C +ATOM 6525 C ASP A 839 10.051 12.041 13.470 1.00 35.22 C +ATOM 6526 CB ASP A 839 11.834 13.839 13.147 1.00 35.22 C +ATOM 6527 O ASP A 839 9.394 12.183 12.439 1.00 35.22 O +ATOM 6528 CG ASP A 839 13.246 14.293 13.537 1.00 35.22 C +ATOM 6529 OD1 ASP A 839 13.694 13.903 14.638 1.00 35.22 O +ATOM 6530 OD2 ASP A 839 13.852 15.042 12.735 1.00 35.22 O +ATOM 6531 N HIS A 840 9.534 11.614 14.629 1.00 45.75 N +ATOM 6532 CA HIS A 840 8.109 11.589 15.005 1.00 45.75 C +ATOM 6533 C HIS A 840 7.243 10.561 14.226 1.00 45.75 C +ATOM 6534 CB HIS A 840 7.536 13.023 14.978 1.00 45.75 C +ATOM 6535 O HIS A 840 6.604 10.909 13.229 1.00 45.75 O +ATOM 6536 CG HIS A 840 8.284 14.074 15.782 1.00 45.75 C +ATOM 6537 CD2 HIS A 840 7.779 15.286 16.172 1.00 45.75 C +ATOM 6538 ND1 HIS A 840 9.608 14.061 16.181 1.00 45.75 N +ATOM 6539 CE1 HIS A 840 9.886 15.221 16.789 1.00 45.75 C +ATOM 6540 NE2 HIS A 840 8.799 16.004 16.814 1.00 45.75 N +ATOM 6541 N PRO A 841 7.173 9.284 14.674 1.00 41.22 N +ATOM 6542 CA PRO A 841 6.358 8.252 14.015 1.00 41.22 C +ATOM 6543 C PRO A 841 4.855 8.589 13.982 1.00 41.22 C +ATOM 6544 CB PRO A 841 6.640 6.951 14.780 1.00 41.22 C +ATOM 6545 O PRO A 841 4.192 8.300 12.983 1.00 41.22 O +ATOM 6546 CG PRO A 841 7.085 7.424 16.162 1.00 41.22 C +ATOM 6547 CD PRO A 841 7.820 8.728 15.858 1.00 41.22 C +ATOM 6548 N ASP A 842 4.343 9.270 15.010 1.00 53.22 N +ATOM 6549 CA ASP A 842 2.917 9.592 15.157 1.00 53.22 C +ATOM 6550 C ASP A 842 2.396 10.571 14.087 1.00 53.22 C +ATOM 6551 CB ASP A 842 2.664 10.157 16.567 1.00 53.22 C +ATOM 6552 O ASP A 842 1.228 10.513 13.707 1.00 53.22 O +ATOM 6553 CG ASP A 842 3.163 9.237 17.687 1.00 53.22 C +ATOM 6554 OD1 ASP A 842 3.134 8.003 17.488 1.00 53.22 O +ATOM 6555 OD2 ASP A 842 3.658 9.789 18.692 1.00 53.22 O +ATOM 6556 N GLU A 843 3.251 11.437 13.519 1.00 56.69 N +ATOM 6557 CA GLU A 843 2.830 12.402 12.485 1.00 56.69 C +ATOM 6558 C GLU A 843 2.476 11.744 11.135 1.00 56.69 C +ATOM 6559 CB GLU A 843 3.905 13.482 12.248 1.00 56.69 C +ATOM 6560 O GLU A 843 1.823 12.372 10.291 1.00 56.69 O +ATOM 6561 CG GLU A 843 4.094 14.478 13.409 1.00 56.69 C +ATOM 6562 CD GLU A 843 4.839 15.767 12.991 1.00 56.69 C +ATOM 6563 OE1 GLU A 843 4.944 16.697 13.820 1.00 56.69 O +ATOM 6564 OE2 GLU A 843 5.226 15.907 11.803 1.00 56.69 O +ATOM 6565 N ARG A 844 2.909 10.493 10.908 1.00 63.59 N +ATOM 6566 CA ARG A 844 2.717 9.752 9.645 1.00 63.59 C +ATOM 6567 C ARG A 844 1.560 8.748 9.669 1.00 63.59 C +ATOM 6568 CB ARG A 844 4.033 9.076 9.224 1.00 63.59 C +ATOM 6569 O ARG A 844 1.218 8.221 8.608 1.00 63.59 O +ATOM 6570 CG ARG A 844 5.052 10.059 8.622 1.00 63.59 C +ATOM 6571 CD ARG A 844 6.248 9.262 8.079 1.00 63.59 C +ATOM 6572 NE ARG A 844 7.169 10.068 7.248 1.00 63.59 N +ATOM 6573 NH1 ARG A 844 8.945 10.282 8.712 1.00 63.59 N +ATOM 6574 NH2 ARG A 844 9.135 10.931 6.583 1.00 63.59 N +ATOM 6575 CZ ARG A 844 8.407 10.425 7.531 1.00 63.59 C +ATOM 6576 N ALA A 845 0.940 8.495 10.822 1.00 71.62 N +ATOM 6577 CA ALA A 845 -0.289 7.711 10.891 1.00 71.62 C +ATOM 6578 C ALA A 845 -1.452 8.511 10.270 1.00 71.62 C +ATOM 6579 CB ALA A 845 -0.549 7.310 12.347 1.00 71.62 C +ATOM 6580 O ALA A 845 -1.673 9.674 10.613 1.00 71.62 O +ATOM 6581 N LEU A 846 -2.182 7.906 9.325 1.00 82.38 N +ATOM 6582 CA LEU A 846 -3.294 8.553 8.620 1.00 82.38 C +ATOM 6583 C LEU A 846 -4.594 7.783 8.830 1.00 82.38 C +ATOM 6584 CB LEU A 846 -2.987 8.711 7.118 1.00 82.38 C +ATOM 6585 O LEU A 846 -4.722 6.627 8.429 1.00 82.38 O +ATOM 6586 CG LEU A 846 -1.782 9.605 6.777 1.00 82.38 C +ATOM 6587 CD1 LEU A 846 -1.664 9.725 5.257 1.00 82.38 C +ATOM 6588 CD2 LEU A 846 -1.913 11.020 7.341 1.00 82.38 C +ATOM 6589 N THR A 847 -5.578 8.462 9.407 1.00 85.06 N +ATOM 6590 CA THR A 847 -6.958 7.987 9.509 1.00 85.06 C +ATOM 6591 C THR A 847 -7.756 8.382 8.265 1.00 85.06 C +ATOM 6592 CB THR A 847 -7.648 8.553 10.760 1.00 85.06 C +ATOM 6593 O THR A 847 -7.400 9.312 7.541 1.00 85.06 O +ATOM 6594 CG2 THR A 847 -6.866 8.329 12.052 1.00 85.06 C +ATOM 6595 OG1 THR A 847 -7.880 9.935 10.604 1.00 85.06 O +ATOM 6596 N MET A 848 -8.916 7.757 8.046 1.00 84.31 N +ATOM 6597 CA MET A 848 -9.848 8.223 7.008 1.00 84.31 C +ATOM 6598 C MET A 848 -10.337 9.664 7.256 1.00 84.31 C +ATOM 6599 CB MET A 848 -11.031 7.251 6.919 1.00 84.31 C +ATOM 6600 O MET A 848 -10.625 10.381 6.304 1.00 84.31 O +ATOM 6601 CG MET A 848 -11.960 7.543 5.732 1.00 84.31 C +ATOM 6602 SD MET A 848 -11.194 7.574 4.088 1.00 84.31 S +ATOM 6603 CE MET A 848 -10.441 5.926 4.060 1.00 84.31 C +ATOM 6604 N GLY A 849 -10.393 10.117 8.516 1.00 85.81 N +ATOM 6605 CA GLY A 849 -10.712 11.510 8.845 1.00 85.81 C +ATOM 6606 C GLY A 849 -9.665 12.491 8.306 1.00 85.81 C +ATOM 6607 O GLY A 849 -10.024 13.548 7.785 1.00 85.81 O +ATOM 6608 N ASP A 850 -8.385 12.107 8.337 1.00 90.25 N +ATOM 6609 CA ASP A 850 -7.308 12.869 7.700 1.00 90.25 C +ATOM 6610 C ASP A 850 -7.470 12.879 6.175 1.00 90.25 C +ATOM 6611 CB ASP A 850 -5.932 12.310 8.087 1.00 90.25 C +ATOM 6612 O ASP A 850 -7.400 13.940 5.563 1.00 90.25 O +ATOM 6613 CG ASP A 850 -5.718 12.286 9.596 1.00 90.25 C +ATOM 6614 OD1 ASP A 850 -5.712 13.374 10.210 1.00 90.25 O +ATOM 6615 OD2 ASP A 850 -5.509 11.183 10.145 1.00 90.25 O +ATOM 6616 N LEU A 851 -7.771 11.732 5.557 1.00 93.44 N +ATOM 6617 CA LEU A 851 -7.958 11.633 4.102 1.00 93.44 C +ATOM 6618 C LEU A 851 -9.135 12.486 3.590 1.00 93.44 C +ATOM 6619 CB LEU A 851 -8.124 10.158 3.694 1.00 93.44 C +ATOM 6620 O LEU A 851 -8.992 13.181 2.581 1.00 93.44 O +ATOM 6621 CG LEU A 851 -6.947 9.223 4.038 1.00 93.44 C +ATOM 6622 CD1 LEU A 851 -7.180 7.858 3.394 1.00 93.44 C +ATOM 6623 CD2 LEU A 851 -5.580 9.728 3.571 1.00 93.44 C +ATOM 6624 N ILE A 852 -10.272 12.495 4.297 1.00 93.25 N +ATOM 6625 CA ILE A 852 -11.415 13.366 3.967 1.00 93.25 C +ATOM 6626 C ILE A 852 -11.036 14.840 4.184 1.00 93.25 C +ATOM 6627 CB ILE A 852 -12.679 12.978 4.773 1.00 93.25 C +ATOM 6628 O ILE A 852 -11.319 15.672 3.325 1.00 93.25 O +ATOM 6629 CG1 ILE A 852 -13.125 11.519 4.510 1.00 93.25 C +ATOM 6630 CG2 ILE A 852 -13.857 13.902 4.406 1.00 93.25 C +ATOM 6631 CD1 ILE A 852 -14.046 10.972 5.608 1.00 93.25 C +ATOM 6632 N SER A 853 -10.328 15.166 5.273 1.00 94.56 N +ATOM 6633 CA SER A 853 -9.805 16.519 5.519 1.00 94.56 C +ATOM 6634 C SER A 853 -8.868 16.991 4.402 1.00 94.56 C +ATOM 6635 CB SER A 853 -9.084 16.547 6.870 1.00 94.56 C +ATOM 6636 O SER A 853 -8.943 18.146 3.981 1.00 94.56 O +ATOM 6637 OG SER A 853 -8.525 17.821 7.148 1.00 94.56 O +ATOM 6638 N PHE A 854 -8.016 16.114 3.865 1.00 96.81 N +ATOM 6639 CA PHE A 854 -7.133 16.446 2.745 1.00 96.81 C +ATOM 6640 C PHE A 854 -7.951 16.763 1.487 1.00 96.81 C +ATOM 6641 CB PHE A 854 -6.136 15.302 2.489 1.00 96.81 C +ATOM 6642 O PHE A 854 -7.752 17.813 0.874 1.00 96.81 O +ATOM 6643 CG PHE A 854 -5.184 14.919 3.615 1.00 96.81 C +ATOM 6644 CD1 PHE A 854 -5.046 15.694 4.789 1.00 96.81 C +ATOM 6645 CD2 PHE A 854 -4.411 13.751 3.472 1.00 96.81 C +ATOM 6646 CE1 PHE A 854 -4.148 15.306 5.797 1.00 96.81 C +ATOM 6647 CE2 PHE A 854 -3.513 13.362 4.482 1.00 96.81 C +ATOM 6648 CZ PHE A 854 -3.383 14.139 5.646 1.00 96.81 C +ATOM 6649 N ALA A 855 -8.919 15.909 1.144 1.00 97.25 N +ATOM 6650 CA ALA A 855 -9.834 16.144 0.031 1.00 97.25 C +ATOM 6651 C ALA A 855 -10.605 17.472 0.173 1.00 97.25 C +ATOM 6652 CB ALA A 855 -10.782 14.944 -0.060 1.00 97.25 C +ATOM 6653 O ALA A 855 -10.661 18.248 -0.781 1.00 97.25 O +ATOM 6654 N TRP A 856 -11.139 17.760 1.364 1.00 97.50 N +ATOM 6655 CA TRP A 856 -11.908 18.972 1.676 1.00 97.50 C +ATOM 6656 C TRP A 856 -11.077 20.254 1.533 1.00 97.50 C +ATOM 6657 CB TRP A 856 -12.435 18.826 3.108 1.00 97.50 C +ATOM 6658 O TRP A 856 -11.488 21.217 0.888 1.00 97.50 O +ATOM 6659 CG TRP A 856 -13.250 19.963 3.635 1.00 97.50 C +ATOM 6660 CD1 TRP A 856 -14.476 20.316 3.192 1.00 97.50 C +ATOM 6661 CD2 TRP A 856 -12.956 20.861 4.750 1.00 97.50 C +ATOM 6662 CE2 TRP A 856 -14.104 21.677 4.980 1.00 97.50 C +ATOM 6663 CE3 TRP A 856 -11.853 21.046 5.614 1.00 97.50 C +ATOM 6664 NE1 TRP A 856 -14.980 21.335 3.974 1.00 97.50 N +ATOM 6665 CH2 TRP A 856 -13.057 22.765 6.870 1.00 97.50 C +ATOM 6666 CZ2 TRP A 856 -14.174 22.598 6.035 1.00 97.50 C +ATOM 6667 CZ3 TRP A 856 -11.896 21.997 6.654 1.00 97.50 C +ATOM 6668 N GLN A 857 -9.852 20.255 2.061 1.00 97.81 N +ATOM 6669 CA GLN A 857 -8.926 21.380 1.909 1.00 97.81 C +ATOM 6670 C GLN A 857 -8.599 21.664 0.432 1.00 97.81 C +ATOM 6671 CB GLN A 857 -7.642 21.053 2.673 1.00 97.81 C +ATOM 6672 O GLN A 857 -8.533 22.822 0.011 1.00 97.81 O +ATOM 6673 CG GLN A 857 -7.808 21.117 4.197 1.00 97.81 C +ATOM 6674 CD GLN A 857 -6.524 20.664 4.874 1.00 97.81 C +ATOM 6675 NE2 GLN A 857 -6.541 19.616 5.666 1.00 97.81 N +ATOM 6676 OE1 GLN A 857 -5.461 21.238 4.672 1.00 97.81 O +ATOM 6677 N ILE A 858 -8.422 20.613 -0.377 1.00 98.31 N +ATOM 6678 CA ILE A 858 -8.164 20.753 -1.817 1.00 98.31 C +ATOM 6679 C ILE A 858 -9.424 21.235 -2.550 1.00 98.31 C +ATOM 6680 CB ILE A 858 -7.612 19.439 -2.413 1.00 98.31 C +ATOM 6681 O ILE A 858 -9.308 22.098 -3.419 1.00 98.31 O +ATOM 6682 CG1 ILE A 858 -6.280 19.022 -1.748 1.00 98.31 C +ATOM 6683 CG2 ILE A 858 -7.382 19.599 -3.928 1.00 98.31 C +ATOM 6684 CD1 ILE A 858 -6.000 17.518 -1.851 1.00 98.31 C +ATOM 6685 N SER A 859 -10.622 20.752 -2.193 1.00 98.19 N +ATOM 6686 CA SER A 859 -11.869 21.203 -2.827 1.00 98.19 C +ATOM 6687 C SER A 859 -12.136 22.687 -2.574 1.00 98.19 C +ATOM 6688 CB SER A 859 -13.073 20.339 -2.428 1.00 98.19 C +ATOM 6689 O SER A 859 -12.510 23.388 -3.510 1.00 98.19 O +ATOM 6690 OG SER A 859 -13.496 20.558 -1.102 1.00 98.19 O +ATOM 6691 N GLN A 860 -11.844 23.203 -1.373 1.00 98.00 N +ATOM 6692 CA GLN A 860 -11.886 24.646 -1.089 1.00 98.00 C +ATOM 6693 C GLN A 860 -10.883 25.436 -1.940 1.00 98.00 C +ATOM 6694 CB GLN A 860 -11.561 24.906 0.385 1.00 98.00 C +ATOM 6695 O GLN A 860 -11.214 26.485 -2.489 1.00 98.00 O +ATOM 6696 CG GLN A 860 -12.652 24.439 1.352 1.00 98.00 C +ATOM 6697 CD GLN A 860 -12.272 24.729 2.800 1.00 98.00 C +ATOM 6698 NE2 GLN A 860 -13.060 24.273 3.740 1.00 98.00 N +ATOM 6699 OE1 GLN A 860 -11.277 25.365 3.117 1.00 98.00 O +ATOM 6700 N GLY A 861 -9.652 24.933 -2.081 1.00 97.44 N +ATOM 6701 CA GLY A 861 -8.647 25.560 -2.939 1.00 97.44 C +ATOM 6702 C GLY A 861 -9.070 25.609 -4.411 1.00 97.44 C +ATOM 6703 O GLY A 861 -8.906 26.641 -5.057 1.00 97.44 O +ATOM 6704 N MET A 862 -9.671 24.534 -4.922 1.00 98.19 N +ATOM 6705 CA MET A 862 -10.198 24.477 -6.287 1.00 98.19 C +ATOM 6706 C MET A 862 -11.475 25.302 -6.479 1.00 98.19 C +ATOM 6707 CB MET A 862 -10.451 23.022 -6.684 1.00 98.19 C +ATOM 6708 O MET A 862 -11.656 25.885 -7.544 1.00 98.19 O +ATOM 6709 CG MET A 862 -9.167 22.233 -6.958 1.00 98.19 C +ATOM 6710 SD MET A 862 -8.056 22.904 -8.236 1.00 98.19 S +ATOM 6711 CE MET A 862 -9.207 23.166 -9.613 1.00 98.19 C +ATOM 6712 N GLN A 863 -12.327 25.415 -5.456 1.00 97.62 N +ATOM 6713 CA GLN A 863 -13.468 26.332 -5.455 1.00 97.62 C +ATOM 6714 C GLN A 863 -12.992 27.778 -5.632 1.00 97.62 C +ATOM 6715 CB GLN A 863 -14.270 26.160 -4.155 1.00 97.62 C +ATOM 6716 O GLN A 863 -13.463 28.467 -6.532 1.00 97.62 O +ATOM 6717 CG GLN A 863 -15.543 27.013 -4.167 1.00 97.62 C +ATOM 6718 CD GLN A 863 -16.211 27.079 -2.802 1.00 97.62 C +ATOM 6719 NE2 GLN A 863 -16.798 28.205 -2.470 1.00 97.62 N +ATOM 6720 OE1 GLN A 863 -16.220 26.125 -2.032 1.00 97.62 O +ATOM 6721 N TYR A 864 -12.002 28.203 -4.845 1.00 97.56 N +ATOM 6722 CA TYR A 864 -11.394 29.524 -4.986 1.00 97.56 C +ATOM 6723 C TYR A 864 -10.787 29.746 -6.384 1.00 97.56 C +ATOM 6724 CB TYR A 864 -10.343 29.695 -3.883 1.00 97.56 C +ATOM 6725 O TYR A 864 -10.977 30.805 -6.977 1.00 97.56 O +ATOM 6726 CG TYR A 864 -9.459 30.903 -4.098 1.00 97.56 C +ATOM 6727 CD1 TYR A 864 -8.183 30.741 -4.672 1.00 97.56 C +ATOM 6728 CD2 TYR A 864 -9.958 32.189 -3.823 1.00 97.56 C +ATOM 6729 CE1 TYR A 864 -7.392 31.872 -4.942 1.00 97.56 C +ATOM 6730 CE2 TYR A 864 -9.176 33.323 -4.108 1.00 97.56 C +ATOM 6731 OH TYR A 864 -7.135 34.250 -4.961 1.00 97.56 O +ATOM 6732 CZ TYR A 864 -7.889 33.162 -4.663 1.00 97.56 C +ATOM 6733 N LEU A 865 -10.092 28.753 -6.954 1.00 95.38 N +ATOM 6734 CA LEU A 865 -9.547 28.861 -8.316 1.00 95.38 C +ATOM 6735 C LEU A 865 -10.653 28.981 -9.379 1.00 95.38 C +ATOM 6736 CB LEU A 865 -8.614 27.673 -8.604 1.00 95.38 C +ATOM 6737 O LEU A 865 -10.521 29.789 -10.297 1.00 95.38 O +ATOM 6738 CG LEU A 865 -7.300 27.699 -7.801 1.00 95.38 C +ATOM 6739 CD1 LEU A 865 -6.555 26.380 -7.992 1.00 95.38 C +ATOM 6740 CD2 LEU A 865 -6.372 28.839 -8.221 1.00 95.38 C +ATOM 6741 N ALA A 866 -11.765 28.259 -9.220 1.00 93.75 N +ATOM 6742 CA ALA A 866 -12.932 28.370 -10.092 1.00 93.75 C +ATOM 6743 C ALA A 866 -13.611 29.750 -9.998 1.00 93.75 C +ATOM 6744 CB ALA A 866 -13.909 27.248 -9.729 1.00 93.75 C +ATOM 6745 O ALA A 866 -13.964 30.332 -11.023 1.00 93.75 O +ATOM 6746 N GLU A 867 -13.746 30.305 -8.790 1.00 93.88 N +ATOM 6747 CA GLU A 867 -14.245 31.670 -8.553 1.00 93.88 C +ATOM 6748 C GLU A 867 -13.313 32.731 -9.169 1.00 93.88 C +ATOM 6749 CB GLU A 867 -14.406 31.898 -7.038 1.00 93.88 C +ATOM 6750 O GLU A 867 -13.781 33.707 -9.758 1.00 93.88 O +ATOM 6751 CG GLU A 867 -15.586 31.112 -6.431 1.00 93.88 C +ATOM 6752 CD GLU A 867 -15.610 31.121 -4.889 1.00 93.88 C +ATOM 6753 OE1 GLU A 867 -16.370 30.300 -4.315 1.00 93.88 O +ATOM 6754 OE2 GLU A 867 -14.885 31.937 -4.277 1.00 93.88 O +ATOM 6755 N MET A 868 -11.997 32.491 -9.129 1.00 92.12 N +ATOM 6756 CA MET A 868 -10.966 33.268 -9.830 1.00 92.12 C +ATOM 6757 C MET A 868 -10.913 33.013 -11.349 1.00 92.12 C +ATOM 6758 CB MET A 868 -9.591 32.994 -9.192 1.00 92.12 C +ATOM 6759 O MET A 868 -10.048 33.577 -12.014 1.00 92.12 O +ATOM 6760 CG MET A 868 -9.445 33.567 -7.777 1.00 92.12 C +ATOM 6761 SD MET A 868 -9.473 35.379 -7.612 1.00 92.12 S +ATOM 6762 CE MET A 868 -8.032 35.839 -8.613 1.00 92.12 C +ATOM 6763 N LYS A 869 -11.821 32.196 -11.908 1.00 89.56 N +ATOM 6764 CA LYS A 869 -11.902 31.840 -13.340 1.00 89.56 C +ATOM 6765 C LYS A 869 -10.647 31.149 -13.892 1.00 89.56 C +ATOM 6766 CB LYS A 869 -12.301 33.068 -14.175 1.00 89.56 C +ATOM 6767 O LYS A 869 -10.367 31.234 -15.085 1.00 89.56 O +ATOM 6768 CG LYS A 869 -13.639 33.686 -13.754 1.00 89.56 C +ATOM 6769 CD LYS A 869 -13.761 35.056 -14.422 1.00 89.56 C +ATOM 6770 CE LYS A 869 -15.222 35.500 -14.476 1.00 89.56 C +ATOM 6771 NZ LYS A 869 -15.409 36.469 -15.580 1.00 89.56 N +ATOM 6772 N LEU A 870 -9.912 30.435 -13.041 1.00 88.88 N +ATOM 6773 CA LEU A 870 -8.716 29.683 -13.415 1.00 88.88 C +ATOM 6774 C LEU A 870 -9.020 28.189 -13.583 1.00 88.88 C +ATOM 6775 CB LEU A 870 -7.609 29.919 -12.373 1.00 88.88 C +ATOM 6776 O LEU A 870 -9.672 27.575 -12.739 1.00 88.88 O +ATOM 6777 CG LEU A 870 -7.038 31.349 -12.377 1.00 88.88 C +ATOM 6778 CD1 LEU A 870 -6.155 31.536 -11.144 1.00 88.88 C +ATOM 6779 CD2 LEU A 870 -6.187 31.628 -13.619 1.00 88.88 C +ATOM 6780 N VAL A 871 -8.480 27.597 -14.649 1.00 90.12 N +ATOM 6781 CA VAL A 871 -8.461 26.146 -14.890 1.00 90.12 C +ATOM 6782 C VAL A 871 -7.055 25.614 -14.607 1.00 90.12 C +ATOM 6783 CB VAL A 871 -8.904 25.789 -16.323 1.00 90.12 C +ATOM 6784 O VAL A 871 -6.076 26.113 -15.170 1.00 90.12 O +ATOM 6785 CG1 VAL A 871 -9.191 24.288 -16.445 1.00 90.12 C +ATOM 6786 CG2 VAL A 871 -10.180 26.523 -16.754 1.00 90.12 C +ATOM 6787 N HIS A 872 -6.938 24.596 -13.755 1.00 91.88 N +ATOM 6788 CA HIS A 872 -5.658 24.048 -13.296 1.00 91.88 C +ATOM 6789 C HIS A 872 -5.021 23.087 -14.307 1.00 91.88 C +ATOM 6790 CB HIS A 872 -5.851 23.359 -11.944 1.00 91.88 C +ATOM 6791 O HIS A 872 -3.808 23.152 -14.524 1.00 91.88 O +ATOM 6792 CG HIS A 872 -4.558 23.046 -11.228 1.00 91.88 C +ATOM 6793 CD2 HIS A 872 -4.338 23.250 -9.898 1.00 91.88 C +ATOM 6794 ND1 HIS A 872 -3.377 22.556 -11.754 1.00 91.88 N +ATOM 6795 CE1 HIS A 872 -2.476 22.465 -10.760 1.00 91.88 C +ATOM 6796 NE2 HIS A 872 -3.028 22.871 -9.609 1.00 91.88 N +ATOM 6797 N ARG A 873 -5.822 22.215 -14.936 1.00 89.94 N +ATOM 6798 CA ARG A 873 -5.467 21.273 -16.024 1.00 89.94 C +ATOM 6799 C ARG A 873 -4.522 20.114 -15.678 1.00 89.94 C +ATOM 6800 CB ARG A 873 -4.972 22.045 -17.264 1.00 89.94 C +ATOM 6801 O ARG A 873 -4.481 19.148 -16.436 1.00 89.94 O +ATOM 6802 CG ARG A 873 -5.976 23.115 -17.719 1.00 89.94 C +ATOM 6803 CD ARG A 873 -5.467 23.972 -18.875 1.00 89.94 C +ATOM 6804 NE ARG A 873 -5.160 23.187 -20.087 1.00 89.94 N +ATOM 6805 NH1 ARG A 873 -3.215 24.259 -20.695 1.00 89.94 N +ATOM 6806 NH2 ARG A 873 -4.180 22.796 -22.085 1.00 89.94 N +ATOM 6807 CZ ARG A 873 -4.182 23.416 -20.939 1.00 89.94 C +ATOM 6808 N ASP A 874 -3.799 20.179 -14.561 1.00 89.38 N +ATOM 6809 CA ASP A 874 -2.978 19.079 -14.025 1.00 89.38 C +ATOM 6810 C ASP A 874 -3.159 18.918 -12.506 1.00 89.38 C +ATOM 6811 CB ASP A 874 -1.510 19.207 -14.473 1.00 89.38 C +ATOM 6812 O ASP A 874 -2.215 18.955 -11.717 1.00 89.38 O +ATOM 6813 CG ASP A 874 -0.704 17.923 -14.215 1.00 89.38 C +ATOM 6814 OD1 ASP A 874 -1.324 16.840 -14.158 1.00 89.38 O +ATOM 6815 OD2 ASP A 874 0.541 17.953 -14.118 1.00 89.38 O +ATOM 6816 N LEU A 875 -4.416 18.776 -12.086 1.00 95.25 N +ATOM 6817 CA LEU A 875 -4.778 18.530 -10.694 1.00 95.25 C +ATOM 6818 C LEU A 875 -4.568 17.043 -10.344 1.00 95.25 C +ATOM 6819 CB LEU A 875 -6.221 19.015 -10.491 1.00 95.25 C +ATOM 6820 O LEU A 875 -5.355 16.183 -10.737 1.00 95.25 O +ATOM 6821 CG LEU A 875 -6.739 18.859 -9.053 1.00 95.25 C +ATOM 6822 CD1 LEU A 875 -5.975 19.744 -8.067 1.00 95.25 C +ATOM 6823 CD2 LEU A 875 -8.214 19.240 -9.019 1.00 95.25 C +ATOM 6824 N ALA A 876 -3.496 16.743 -9.608 1.00 95.50 N +ATOM 6825 CA ALA A 876 -3.077 15.383 -9.250 1.00 95.50 C +ATOM 6826 C ALA A 876 -2.290 15.358 -7.927 1.00 95.50 C +ATOM 6827 CB ALA A 876 -2.202 14.852 -10.391 1.00 95.50 C +ATOM 6828 O ALA A 876 -1.699 16.366 -7.538 1.00 95.50 O +ATOM 6829 N ALA A 877 -2.179 14.204 -7.257 1.00 96.19 N +ATOM 6830 CA ALA A 877 -1.556 14.121 -5.924 1.00 96.19 C +ATOM 6831 C ALA A 877 -0.045 14.436 -5.921 1.00 96.19 C +ATOM 6832 CB ALA A 877 -1.838 12.737 -5.328 1.00 96.19 C +ATOM 6833 O ALA A 877 0.532 14.734 -4.877 1.00 96.19 O +ATOM 6834 N ARG A 878 0.612 14.390 -7.086 1.00 93.12 N +ATOM 6835 CA ARG A 878 1.992 14.880 -7.288 1.00 93.12 C +ATOM 6836 C ARG A 878 2.122 16.410 -7.193 1.00 93.12 C +ATOM 6837 CB ARG A 878 2.554 14.385 -8.635 1.00 93.12 C +ATOM 6838 O ARG A 878 3.177 16.881 -6.786 1.00 93.12 O +ATOM 6839 CG ARG A 878 1.583 14.619 -9.804 1.00 93.12 C +ATOM 6840 CD ARG A 878 2.257 14.573 -11.181 1.00 93.12 C +ATOM 6841 NE ARG A 878 1.268 14.809 -12.253 1.00 93.12 N +ATOM 6842 NH1 ARG A 878 0.113 12.819 -12.102 1.00 93.12 N +ATOM 6843 NH2 ARG A 878 -0.630 14.391 -13.440 1.00 93.12 N +ATOM 6844 CZ ARG A 878 0.272 14.015 -12.601 1.00 93.12 C +ATOM 6845 N ASN A 879 1.057 17.142 -7.524 1.00 94.19 N +ATOM 6846 CA ASN A 879 1.029 18.603 -7.653 1.00 94.19 C +ATOM 6847 C ASN A 879 0.317 19.277 -6.462 1.00 94.19 C +ATOM 6848 CB ASN A 879 0.396 18.968 -9.010 1.00 94.19 C +ATOM 6849 O ASN A 879 0.269 20.499 -6.360 1.00 94.19 O +ATOM 6850 CG ASN A 879 1.140 18.428 -10.226 1.00 94.19 C +ATOM 6851 ND2 ASN A 879 0.536 18.553 -11.377 1.00 94.19 N +ATOM 6852 OD1 ASN A 879 2.193 17.810 -10.145 1.00 94.19 O +ATOM 6853 N ILE A 880 -0.201 18.486 -5.517 1.00 97.25 N +ATOM 6854 CA ILE A 880 -0.567 18.963 -4.182 1.00 97.25 C +ATOM 6855 C ILE A 880 0.647 18.815 -3.266 1.00 97.25 C +ATOM 6856 CB ILE A 880 -1.793 18.214 -3.620 1.00 97.25 C +ATOM 6857 O ILE A 880 1.267 17.752 -3.217 1.00 97.25 O +ATOM 6858 CG1 ILE A 880 -3.002 18.197 -4.580 1.00 97.25 C +ATOM 6859 CG2 ILE A 880 -2.200 18.806 -2.256 1.00 97.25 C +ATOM 6860 CD1 ILE A 880 -3.497 19.573 -5.038 1.00 97.25 C +ATOM 6861 N LEU A 881 0.966 19.859 -2.509 1.00 96.38 N +ATOM 6862 CA LEU A 881 2.009 19.860 -1.490 1.00 96.38 C +ATOM 6863 C LEU A 881 1.399 19.803 -0.082 1.00 96.38 C +ATOM 6864 CB LEU A 881 2.925 21.079 -1.685 1.00 96.38 C +ATOM 6865 O LEU A 881 0.320 20.345 0.163 1.00 96.38 O +ATOM 6866 CG LEU A 881 3.615 21.201 -3.055 1.00 96.38 C +ATOM 6867 CD1 LEU A 881 4.409 22.507 -3.106 1.00 96.38 C +ATOM 6868 CD2 LEU A 881 4.580 20.044 -3.314 1.00 96.38 C +ATOM 6869 N VAL A 882 2.105 19.165 0.852 1.00 96.25 N +ATOM 6870 CA VAL A 882 1.685 18.999 2.251 1.00 96.25 C +ATOM 6871 C VAL A 882 2.553 19.889 3.141 1.00 96.25 C +ATOM 6872 CB VAL A 882 1.693 17.515 2.664 1.00 96.25 C +ATOM 6873 O VAL A 882 3.733 19.627 3.399 1.00 96.25 O +ATOM 6874 CG1 VAL A 882 1.164 17.327 4.093 1.00 96.25 C +ATOM 6875 CG2 VAL A 882 0.809 16.678 1.734 1.00 96.25 C +ATOM 6876 N ALA A 883 1.964 21.000 3.570 1.00 93.69 N +ATOM 6877 CA ALA A 883 2.592 22.002 4.416 1.00 93.69 C +ATOM 6878 C ALA A 883 2.480 21.661 5.911 1.00 93.69 C +ATOM 6879 CB ALA A 883 1.999 23.372 4.052 1.00 93.69 C +ATOM 6880 O ALA A 883 1.920 20.639 6.314 1.00 93.69 O +ATOM 6881 N GLU A 884 3.043 22.533 6.745 1.00 88.88 N +ATOM 6882 CA GLU A 884 2.978 22.422 8.200 1.00 88.88 C +ATOM 6883 C GLU A 884 1.533 22.286 8.719 1.00 88.88 C +ATOM 6884 CB GLU A 884 3.710 23.623 8.801 1.00 88.88 C +ATOM 6885 O GLU A 884 0.599 22.888 8.184 1.00 88.88 O +ATOM 6886 CG GLU A 884 3.800 23.554 10.328 1.00 88.88 C +ATOM 6887 CD GLU A 884 5.158 24.083 10.777 1.00 88.88 C +ATOM 6888 OE1 GLU A 884 5.974 23.209 11.160 1.00 88.88 O +ATOM 6889 OE2 GLU A 884 5.398 25.296 10.612 1.00 88.88 O +ATOM 6890 N GLY A 885 1.345 21.443 9.741 1.00 88.25 N +ATOM 6891 CA GLY A 885 0.020 21.065 10.240 1.00 88.25 C +ATOM 6892 C GLY A 885 -0.768 20.151 9.293 1.00 88.25 C +ATOM 6893 O GLY A 885 -1.995 20.168 9.333 1.00 88.25 O +ATOM 6894 N ARG A 886 -0.079 19.398 8.416 1.00 89.75 N +ATOM 6895 CA ARG A 886 -0.660 18.524 7.373 1.00 89.75 C +ATOM 6896 C ARG A 886 -1.666 19.266 6.470 1.00 89.75 C +ATOM 6897 CB ARG A 886 -1.200 17.204 7.982 1.00 89.75 C +ATOM 6898 O ARG A 886 -2.681 18.709 6.055 1.00 89.75 O +ATOM 6899 CG ARG A 886 -0.128 16.394 8.746 1.00 89.75 C +ATOM 6900 CD ARG A 886 -0.632 15.041 9.290 1.00 89.75 C +ATOM 6901 NE ARG A 886 -1.699 15.201 10.298 1.00 89.75 N +ATOM 6902 NH1 ARG A 886 -2.563 13.052 10.279 1.00 89.75 N +ATOM 6903 NH2 ARG A 886 -3.652 14.671 11.318 1.00 89.75 N +ATOM 6904 CZ ARG A 886 -2.616 14.304 10.630 1.00 89.75 C +ATOM 6905 N LYS A 887 -1.387 20.543 6.169 1.00 95.06 N +ATOM 6906 CA LYS A 887 -2.261 21.397 5.349 1.00 95.06 C +ATOM 6907 C LYS A 887 -1.988 21.234 3.858 1.00 95.06 C +ATOM 6908 CB LYS A 887 -2.178 22.870 5.775 1.00 95.06 C +ATOM 6909 O LYS A 887 -0.842 21.335 3.426 1.00 95.06 O +ATOM 6910 CG LYS A 887 -2.837 23.074 7.144 1.00 95.06 C +ATOM 6911 CD LYS A 887 -3.001 24.559 7.483 1.00 95.06 C +ATOM 6912 CE LYS A 887 -3.749 24.656 8.817 1.00 95.06 C +ATOM 6913 NZ LYS A 887 -4.127 26.052 9.148 1.00 95.06 N +ATOM 6914 N MET A 888 -3.041 21.042 3.071 1.00 97.75 N +ATOM 6915 CA MET A 888 -2.934 20.888 1.617 1.00 97.75 C +ATOM 6916 C MET A 888 -2.672 22.230 0.929 1.00 97.75 C +ATOM 6917 CB MET A 888 -4.201 20.246 1.042 1.00 97.75 C +ATOM 6918 O MET A 888 -3.266 23.246 1.304 1.00 97.75 O +ATOM 6919 CG MET A 888 -4.508 18.878 1.655 1.00 97.75 C +ATOM 6920 SD MET A 888 -3.237 17.618 1.381 1.00 97.75 S +ATOM 6921 CE MET A 888 -2.666 17.371 3.081 1.00 97.75 C +ATOM 6922 N LYS A 889 -1.806 22.219 -0.088 1.00 97.56 N +ATOM 6923 CA LYS A 889 -1.441 23.365 -0.929 1.00 97.56 C +ATOM 6924 C LYS A 889 -1.439 22.956 -2.399 1.00 97.56 C +ATOM 6925 CB LYS A 889 -0.037 23.863 -0.546 1.00 97.56 C +ATOM 6926 O LYS A 889 -0.579 22.190 -2.823 1.00 97.56 O +ATOM 6927 CG LYS A 889 0.126 24.335 0.899 1.00 97.56 C +ATOM 6928 CD LYS A 889 -0.658 25.615 1.168 1.00 97.56 C +ATOM 6929 CE LYS A 889 -0.389 26.035 2.608 1.00 97.56 C +ATOM 6930 NZ LYS A 889 -0.626 27.479 2.757 1.00 97.56 N +ATOM 6931 N ILE A 890 -2.372 23.483 -3.180 1.00 97.38 N +ATOM 6932 CA ILE A 890 -2.399 23.325 -4.639 1.00 97.38 C +ATOM 6933 C ILE A 890 -1.189 24.054 -5.249 1.00 97.38 C +ATOM 6934 CB ILE A 890 -3.744 23.849 -5.178 1.00 97.38 C +ATOM 6935 O ILE A 890 -0.898 25.188 -4.858 1.00 97.38 O +ATOM 6936 CG1 ILE A 890 -4.940 23.063 -4.588 1.00 97.38 C +ATOM 6937 CG2 ILE A 890 -3.784 23.749 -6.703 1.00 97.38 C +ATOM 6938 CD1 ILE A 890 -6.286 23.733 -4.862 1.00 97.38 C +ATOM 6939 N SER A 891 -0.469 23.401 -6.163 1.00 93.12 N +ATOM 6940 CA SER A 891 0.801 23.859 -6.740 1.00 93.12 C +ATOM 6941 C SER A 891 0.938 23.439 -8.214 1.00 93.12 C +ATOM 6942 CB SER A 891 1.950 23.272 -5.905 1.00 93.12 C +ATOM 6943 O SER A 891 0.111 22.700 -8.736 1.00 93.12 O +ATOM 6944 OG SER A 891 3.173 23.949 -6.140 1.00 93.12 O +ATOM 6945 N ASP A 892 2.013 23.889 -8.863 1.00 86.25 N +ATOM 6946 CA ASP A 892 2.367 23.609 -10.262 1.00 86.25 C +ATOM 6947 C ASP A 892 1.392 24.205 -11.299 1.00 86.25 C +ATOM 6948 CB ASP A 892 2.730 22.118 -10.451 1.00 86.25 C +ATOM 6949 O ASP A 892 0.811 23.528 -12.146 1.00 86.25 O +ATOM 6950 CG ASP A 892 3.827 21.876 -11.500 1.00 86.25 C +ATOM 6951 OD1 ASP A 892 4.627 22.813 -11.754 1.00 86.25 O +ATOM 6952 OD2 ASP A 892 3.963 20.724 -11.958 1.00 86.25 O +ATOM 6953 N PHE A 893 1.246 25.535 -11.254 1.00 84.94 N +ATOM 6954 CA PHE A 893 0.369 26.305 -12.152 1.00 84.94 C +ATOM 6955 C PHE A 893 0.941 26.516 -13.568 1.00 84.94 C +ATOM 6956 CB PHE A 893 -0.031 27.635 -11.489 1.00 84.94 C +ATOM 6957 O PHE A 893 0.405 27.311 -14.338 1.00 84.94 O +ATOM 6958 CG PHE A 893 -0.894 27.463 -10.258 1.00 84.94 C +ATOM 6959 CD1 PHE A 893 -2.290 27.370 -10.400 1.00 84.94 C +ATOM 6960 CD2 PHE A 893 -0.311 27.354 -8.982 1.00 84.94 C +ATOM 6961 CE1 PHE A 893 -3.103 27.162 -9.277 1.00 84.94 C +ATOM 6962 CE2 PHE A 893 -1.127 27.138 -7.857 1.00 84.94 C +ATOM 6963 CZ PHE A 893 -2.521 27.037 -8.006 1.00 84.94 C +ATOM 6964 N GLY A 894 2.011 25.808 -13.949 1.00 71.38 N +ATOM 6965 CA GLY A 894 2.701 26.009 -15.232 1.00 71.38 C +ATOM 6966 C GLY A 894 1.883 25.642 -16.478 1.00 71.38 C +ATOM 6967 O GLY A 894 2.304 25.925 -17.597 1.00 71.38 O +ATOM 6968 N LEU A 895 0.713 25.014 -16.304 1.00 71.62 N +ATOM 6969 CA LEU A 895 -0.235 24.688 -17.378 1.00 71.62 C +ATOM 6970 C LEU A 895 -1.559 25.468 -17.289 1.00 71.62 C +ATOM 6971 CB LEU A 895 -0.503 23.168 -17.380 1.00 71.62 C +ATOM 6972 O LEU A 895 -2.408 25.299 -18.173 1.00 71.62 O +ATOM 6973 CG LEU A 895 0.750 22.277 -17.448 1.00 71.62 C +ATOM 6974 CD1 LEU A 895 0.343 20.811 -17.549 1.00 71.62 C +ATOM 6975 CD2 LEU A 895 1.627 22.550 -18.663 1.00 71.62 C +ATOM 6976 N SER A 896 -1.756 26.262 -16.233 1.00 72.31 N +ATOM 6977 CA SER A 896 -3.042 26.865 -15.866 1.00 72.31 C +ATOM 6978 C SER A 896 -3.418 28.071 -16.733 1.00 72.31 C +ATOM 6979 CB SER A 896 -3.044 27.248 -14.385 1.00 72.31 C +ATOM 6980 O SER A 896 -2.555 28.698 -17.347 1.00 72.31 O +ATOM 6981 OG SER A 896 -2.712 26.118 -13.599 1.00 72.31 O +ATOM 6982 N ARG A 897 -4.722 28.361 -16.836 1.00 68.38 N +ATOM 6983 CA ARG A 897 -5.289 29.342 -17.786 1.00 68.38 C +ATOM 6984 C ARG A 897 -6.545 30.027 -17.259 1.00 68.38 C +ATOM 6985 CB ARG A 897 -5.652 28.628 -19.096 1.00 68.38 C +ATOM 6986 O ARG A 897 -7.247 29.433 -16.444 1.00 68.38 O +ATOM 6987 CG ARG A 897 -4.400 28.164 -19.839 1.00 68.38 C +ATOM 6988 CD ARG A 897 -4.763 27.540 -21.180 1.00 68.38 C +ATOM 6989 NE ARG A 897 -3.640 27.737 -22.108 1.00 68.38 N +ATOM 6990 NH1 ARG A 897 -4.864 28.648 -23.836 1.00 68.38 N +ATOM 6991 NH2 ARG A 897 -2.660 28.986 -23.719 1.00 68.38 N +ATOM 6992 CZ ARG A 897 -3.731 28.445 -23.218 1.00 68.38 C +ATOM 6993 N ASP A 898 -6.846 31.217 -17.775 1.00 63.19 N +ATOM 6994 CA ASP A 898 -8.160 31.857 -17.624 1.00 63.19 C +ATOM 6995 C ASP A 898 -9.197 31.147 -18.523 1.00 63.19 C +ATOM 6996 CB ASP A 898 -8.034 33.365 -17.926 1.00 63.19 C +ATOM 6997 O ASP A 898 -8.882 30.707 -19.632 1.00 63.19 O +ATOM 6998 CG ASP A 898 -9.239 34.214 -17.480 1.00 63.19 C +ATOM 6999 OD1 ASP A 898 -10.394 33.770 -17.678 1.00 63.19 O +ATOM 7000 OD2 ASP A 898 -9.017 35.328 -16.960 1.00 63.19 O +ATOM 7001 N VAL A 899 -10.434 31.019 -18.044 1.00 48.56 N +ATOM 7002 CA VAL A 899 -11.581 30.448 -18.773 1.00 48.56 C +ATOM 7003 C VAL A 899 -11.966 31.264 -20.021 1.00 48.56 C +ATOM 7004 CB VAL A 899 -12.776 30.314 -17.798 1.00 48.56 C +ATOM 7005 O VAL A 899 -12.573 30.708 -20.935 1.00 48.56 O +ATOM 7006 CG1 VAL A 899 -14.116 29.949 -18.453 1.00 48.56 C +ATOM 7007 CG2 VAL A 899 -12.510 29.218 -16.755 1.00 48.56 C +ATOM 7008 N TYR A 900 -11.637 32.560 -20.076 1.00 41.56 N +ATOM 7009 CA TYR A 900 -12.085 33.477 -21.139 1.00 41.56 C +ATOM 7010 C TYR A 900 -11.068 33.710 -22.274 1.00 41.56 C +ATOM 7011 CB TYR A 900 -12.569 34.794 -20.508 1.00 41.56 C +ATOM 7012 O TYR A 900 -11.359 34.471 -23.198 1.00 41.56 O +ATOM 7013 CG TYR A 900 -13.820 34.639 -19.659 1.00 41.56 C +ATOM 7014 CD1 TYR A 900 -15.093 34.842 -20.228 1.00 41.56 C +ATOM 7015 CD2 TYR A 900 -13.712 34.232 -18.317 1.00 41.56 C +ATOM 7016 CE1 TYR A 900 -16.255 34.659 -19.452 1.00 41.56 C +ATOM 7017 CE2 TYR A 900 -14.868 34.008 -17.551 1.00 41.56 C +ATOM 7018 OH TYR A 900 -17.241 34.114 -17.325 1.00 41.56 O +ATOM 7019 CZ TYR A 900 -16.139 34.245 -18.108 1.00 41.56 C +ATOM 7020 N GLU A 901 -9.897 33.068 -22.252 1.00 50.84 N +ATOM 7021 CA GLU A 901 -8.966 33.100 -23.389 1.00 50.84 C +ATOM 7022 C GLU A 901 -9.458 32.163 -24.510 1.00 50.84 C +ATOM 7023 CB GLU A 901 -7.527 32.768 -22.943 1.00 50.84 C +ATOM 7024 O GLU A 901 -9.221 30.955 -24.478 1.00 50.84 O +ATOM 7025 CG GLU A 901 -6.872 33.914 -22.148 1.00 50.84 C +ATOM 7026 CD GLU A 901 -5.396 33.650 -21.782 1.00 50.84 C +ATOM 7027 OE1 GLU A 901 -4.693 34.642 -21.479 1.00 50.84 O +ATOM 7028 OE2 GLU A 901 -4.962 32.468 -21.784 1.00 50.84 O +ATOM 7029 N GLU A 902 -10.126 32.726 -25.527 1.00 37.50 N +ATOM 7030 CA GLU A 902 -10.673 31.999 -26.695 1.00 37.50 C +ATOM 7031 C GLU A 902 -9.600 31.317 -27.579 1.00 37.50 C +ATOM 7032 CB GLU A 902 -11.540 32.947 -27.555 1.00 37.50 C +ATOM 7033 O GLU A 902 -9.919 30.546 -28.490 1.00 37.50 O +ATOM 7034 CG GLU A 902 -12.790 33.477 -26.827 1.00 37.50 C +ATOM 7035 CD GLU A 902 -13.747 34.279 -27.735 1.00 37.50 C +ATOM 7036 OE1 GLU A 902 -14.952 34.339 -27.392 1.00 37.50 O +ATOM 7037 OE2 GLU A 902 -13.291 34.840 -28.759 1.00 37.50 O +ATOM 7038 N ASP A 903 -8.314 31.558 -27.311 1.00 36.25 N +ATOM 7039 CA ASP A 903 -7.205 30.984 -28.063 1.00 36.25 C +ATOM 7040 C ASP A 903 -6.995 29.497 -27.741 1.00 36.25 C +ATOM 7041 CB ASP A 903 -5.926 31.809 -27.865 1.00 36.25 C +ATOM 7042 O ASP A 903 -6.388 29.110 -26.733 1.00 36.25 O +ATOM 7043 CG ASP A 903 -5.934 33.105 -28.684 1.00 36.25 C +ATOM 7044 OD1 ASP A 903 -6.395 33.052 -29.848 1.00 36.25 O +ATOM 7045 OD2 ASP A 903 -5.405 34.112 -28.169 1.00 36.25 O +ATOM 7046 N SER A 904 -7.455 28.666 -28.684 1.00 29.09 N +ATOM 7047 CA SER A 904 -7.277 27.207 -28.779 1.00 29.09 C +ATOM 7048 C SER A 904 -5.803 26.749 -28.801 1.00 29.09 C +ATOM 7049 CB SER A 904 -8.067 26.661 -29.981 1.00 29.09 C +ATOM 7050 O SER A 904 -5.266 26.226 -29.781 1.00 29.09 O +ATOM 7051 OG SER A 904 -7.653 27.234 -31.211 1.00 29.09 O +ATOM 7052 N TYR A 905 -5.110 26.920 -27.680 1.00 37.03 N +ATOM 7053 CA TYR A 905 -3.732 26.484 -27.506 1.00 37.03 C +ATOM 7054 C TYR A 905 -3.668 24.967 -27.352 1.00 37.03 C +ATOM 7055 CB TYR A 905 -3.116 27.199 -26.309 1.00 37.03 C +ATOM 7056 O TYR A 905 -4.091 24.373 -26.357 1.00 37.03 O +ATOM 7057 CG TYR A 905 -1.764 26.703 -25.816 1.00 37.03 C +ATOM 7058 CD1 TYR A 905 -1.718 25.647 -24.883 1.00 37.03 C +ATOM 7059 CD2 TYR A 905 -0.574 27.366 -26.176 1.00 37.03 C +ATOM 7060 CE1 TYR A 905 -0.493 25.236 -24.331 1.00 37.03 C +ATOM 7061 CE2 TYR A 905 0.655 26.973 -25.606 1.00 37.03 C +ATOM 7062 OH TYR A 905 1.866 25.510 -24.121 1.00 37.03 O +ATOM 7063 CZ TYR A 905 0.695 25.900 -24.688 1.00 37.03 C +ATOM 7064 N VAL A 906 -3.022 24.347 -28.329 1.00 34.16 N +ATOM 7065 CA VAL A 906 -2.566 22.967 -28.241 1.00 34.16 C +ATOM 7066 C VAL A 906 -1.112 23.000 -27.773 1.00 34.16 C +ATOM 7067 CB VAL A 906 -2.751 22.245 -29.586 1.00 34.16 C +ATOM 7068 O VAL A 906 -0.259 23.574 -28.458 1.00 34.16 O +ATOM 7069 CG1 VAL A 906 -2.545 20.742 -29.383 1.00 34.16 C +ATOM 7070 CG2 VAL A 906 -4.155 22.458 -30.173 1.00 34.16 C +ATOM 7071 N LYS A 907 -0.805 22.396 -26.613 1.00 37.88 N +ATOM 7072 CA LYS A 907 0.576 22.345 -26.101 1.00 37.88 C +ATOM 7073 C LYS A 907 1.448 21.605 -27.119 1.00 37.88 C +ATOM 7074 CB LYS A 907 0.663 21.748 -24.676 1.00 37.88 C +ATOM 7075 O LYS A 907 1.210 20.441 -27.437 1.00 37.88 O +ATOM 7076 CG LYS A 907 2.089 21.893 -24.096 1.00 37.88 C +ATOM 7077 CD LYS A 907 2.180 21.868 -22.555 1.00 37.88 C +ATOM 7078 CE LYS A 907 3.642 22.131 -22.137 1.00 37.88 C +ATOM 7079 NZ LYS A 907 3.813 22.594 -20.734 1.00 37.88 N +ATOM 7080 N ARG A 908 2.424 22.322 -27.677 1.00 35.28 N +ATOM 7081 CA ARG A 908 3.283 21.865 -28.786 1.00 35.28 C +ATOM 7082 C ARG A 908 4.613 21.264 -28.343 1.00 35.28 C +ATOM 7083 CB ARG A 908 3.478 23.041 -29.753 1.00 35.28 C +ATOM 7084 O ARG A 908 5.300 20.659 -29.159 1.00 35.28 O +ATOM 7085 CG ARG A 908 2.270 23.151 -30.689 1.00 35.28 C +ATOM 7086 CD ARG A 908 1.864 24.598 -30.966 1.00 35.28 C +ATOM 7087 NE ARG A 908 0.695 24.682 -31.864 1.00 35.28 N +ATOM 7088 NH1 ARG A 908 1.003 26.848 -32.545 1.00 35.28 N +ATOM 7089 NH2 ARG A 908 -0.711 25.695 -33.352 1.00 35.28 N +ATOM 7090 CZ ARG A 908 0.337 25.732 -32.582 1.00 35.28 C +ATOM 7091 N SER A 909 4.977 21.429 -27.075 1.00 37.31 N +ATOM 7092 CA SER A 909 6.168 20.820 -26.484 1.00 37.31 C +ATOM 7093 C SER A 909 5.925 19.355 -26.114 1.00 37.31 C +ATOM 7094 CB SER A 909 6.660 21.644 -25.286 1.00 37.31 C +ATOM 7095 O SER A 909 4.821 18.977 -25.727 1.00 37.31 O +ATOM 7096 OG SER A 909 5.601 22.095 -24.459 1.00 37.31 O +ATOM 7097 N GLN A 910 6.978 18.537 -26.201 1.00 39.62 N +ATOM 7098 CA GLN A 910 6.964 17.079 -25.989 1.00 39.62 C +ATOM 7099 C GLN A 910 6.758 16.637 -24.516 1.00 39.62 C +ATOM 7100 CB GLN A 910 8.266 16.477 -26.556 1.00 39.62 C +ATOM 7101 O GLN A 910 7.106 15.515 -24.151 1.00 39.62 O +ATOM 7102 CG GLN A 910 8.513 16.666 -28.067 1.00 39.62 C +ATOM 7103 CD GLN A 910 9.795 15.954 -28.513 1.00 39.62 C +ATOM 7104 NE2 GLN A 910 10.104 15.869 -29.785 1.00 39.62 N +ATOM 7105 OE1 GLN A 910 10.568 15.447 -27.723 1.00 39.62 O +ATOM 7106 N GLY A 911 6.212 17.500 -23.654 1.00 45.38 N +ATOM 7107 CA GLY A 911 5.980 17.185 -22.243 1.00 45.38 C +ATOM 7108 C GLY A 911 4.931 16.083 -22.064 1.00 45.38 C +ATOM 7109 O GLY A 911 3.957 16.005 -22.818 1.00 45.38 O +ATOM 7110 N ARG A 912 5.109 15.231 -21.048 1.00 54.00 N +ATOM 7111 CA ARG A 912 4.164 14.146 -20.733 1.00 54.00 C +ATOM 7112 C ARG A 912 2.812 14.713 -20.290 1.00 54.00 C +ATOM 7113 CB ARG A 912 4.744 13.221 -19.652 1.00 54.00 C +ATOM 7114 O ARG A 912 2.656 15.150 -19.156 1.00 54.00 O +ATOM 7115 CG ARG A 912 5.856 12.310 -20.191 1.00 54.00 C +ATOM 7116 CD ARG A 912 6.391 11.422 -19.061 1.00 54.00 C +ATOM 7117 NE ARG A 912 7.316 10.390 -19.569 1.00 54.00 N +ATOM 7118 NH1 ARG A 912 7.784 9.386 -17.559 1.00 54.00 N +ATOM 7119 NH2 ARG A 912 8.620 8.525 -19.436 1.00 54.00 N +ATOM 7120 CZ ARG A 912 7.901 9.443 -18.856 1.00 54.00 C +ATOM 7121 N ILE A 913 1.825 14.659 -21.181 1.00 68.00 N +ATOM 7122 CA ILE A 913 0.433 15.014 -20.884 1.00 68.00 C +ATOM 7123 C ILE A 913 -0.124 14.049 -19.810 1.00 68.00 C +ATOM 7124 CB ILE A 913 -0.399 14.998 -22.189 1.00 68.00 C +ATOM 7125 O ILE A 913 0.090 12.837 -19.925 1.00 68.00 O +ATOM 7126 CG1 ILE A 913 0.166 16.006 -23.220 1.00 68.00 C +ATOM 7127 CG2 ILE A 913 -1.874 15.308 -21.908 1.00 68.00 C +ATOM 7128 CD1 ILE A 913 -0.588 16.049 -24.556 1.00 68.00 C +ATOM 7129 N PRO A 914 -0.862 14.525 -18.788 1.00 83.94 N +ATOM 7130 CA PRO A 914 -1.366 13.699 -17.686 1.00 83.94 C +ATOM 7131 C PRO A 914 -2.622 12.890 -18.072 1.00 83.94 C +ATOM 7132 CB PRO A 914 -1.588 14.698 -16.543 1.00 83.94 C +ATOM 7133 O PRO A 914 -3.653 12.972 -17.410 1.00 83.94 O +ATOM 7134 CG PRO A 914 -2.053 15.948 -17.282 1.00 83.94 C +ATOM 7135 CD PRO A 914 -1.138 15.931 -18.503 1.00 83.94 C +ATOM 7136 N VAL A 915 -2.541 12.076 -19.134 1.00 88.31 N +ATOM 7137 CA VAL A 915 -3.673 11.377 -19.793 1.00 88.31 C +ATOM 7138 C VAL A 915 -4.641 10.690 -18.817 1.00 88.31 C +ATOM 7139 CB VAL A 915 -3.143 10.329 -20.801 1.00 88.31 C +ATOM 7140 O VAL A 915 -5.846 10.718 -19.036 1.00 88.31 O +ATOM 7141 CG1 VAL A 915 -4.256 9.592 -21.560 1.00 88.31 C +ATOM 7142 CG2 VAL A 915 -2.237 10.966 -21.865 1.00 88.31 C +ATOM 7143 N LYS A 916 -4.138 10.102 -17.724 1.00 92.94 N +ATOM 7144 CA LYS A 916 -4.958 9.390 -16.726 1.00 92.94 C +ATOM 7145 C LYS A 916 -5.781 10.286 -15.785 1.00 92.94 C +ATOM 7146 CB LYS A 916 -4.088 8.416 -15.919 1.00 92.94 C +ATOM 7147 O LYS A 916 -6.679 9.775 -15.126 1.00 92.94 O +ATOM 7148 CG LYS A 916 -3.447 7.324 -16.792 1.00 92.94 C +ATOM 7149 CD LYS A 916 -3.047 6.129 -15.922 1.00 92.94 C +ATOM 7150 CE LYS A 916 -2.674 4.916 -16.778 1.00 92.94 C +ATOM 7151 NZ LYS A 916 -2.590 3.676 -15.969 1.00 92.94 N +ATOM 7152 N TRP A 917 -5.486 11.584 -15.717 1.00 94.81 N +ATOM 7153 CA TRP A 917 -6.244 12.577 -14.940 1.00 94.81 C +ATOM 7154 C TRP A 917 -7.178 13.413 -15.819 1.00 94.81 C +ATOM 7155 CB TRP A 917 -5.278 13.479 -14.157 1.00 94.81 C +ATOM 7156 O TRP A 917 -8.142 13.971 -15.311 1.00 94.81 O +ATOM 7157 CG TRP A 917 -4.562 12.798 -13.030 1.00 94.81 C +ATOM 7158 CD1 TRP A 917 -4.876 12.921 -11.720 1.00 94.81 C +ATOM 7159 CD2 TRP A 917 -3.423 11.883 -13.080 1.00 94.81 C +ATOM 7160 CE2 TRP A 917 -3.143 11.440 -11.754 1.00 94.81 C +ATOM 7161 CE3 TRP A 917 -2.583 11.394 -14.105 1.00 94.81 C +ATOM 7162 NE1 TRP A 917 -4.039 12.122 -10.964 1.00 94.81 N +ATOM 7163 CH2 TRP A 917 -1.335 10.018 -12.519 1.00 94.81 C +ATOM 7164 CZ2 TRP A 917 -2.119 10.525 -11.470 1.00 94.81 C +ATOM 7165 CZ3 TRP A 917 -1.555 10.469 -13.832 1.00 94.81 C +ATOM 7166 N MET A 918 -6.926 13.478 -17.129 1.00 92.19 N +ATOM 7167 CA MET A 918 -7.721 14.277 -18.062 1.00 92.19 C +ATOM 7168 C MET A 918 -9.178 13.817 -18.149 1.00 92.19 C +ATOM 7169 CB MET A 918 -7.107 14.221 -19.461 1.00 92.19 C +ATOM 7170 O MET A 918 -9.466 12.620 -18.208 1.00 92.19 O +ATOM 7171 CG MET A 918 -5.778 14.970 -19.537 1.00 92.19 C +ATOM 7172 SD MET A 918 -5.004 14.910 -21.171 1.00 92.19 S +ATOM 7173 CE MET A 918 -6.203 15.838 -22.156 1.00 92.19 C +ATOM 7174 N ALA A 919 -10.081 14.792 -18.249 1.00 93.56 N +ATOM 7175 CA ALA A 919 -11.484 14.556 -18.549 1.00 93.56 C +ATOM 7176 C ALA A 919 -11.689 14.060 -19.986 1.00 93.56 C +ATOM 7177 CB ALA A 919 -12.263 15.834 -18.257 1.00 93.56 C +ATOM 7178 O ALA A 919 -10.860 14.298 -20.870 1.00 93.56 O +ATOM 7179 N ILE A 920 -12.804 13.374 -20.239 1.00 92.25 N +ATOM 7180 CA ILE A 920 -13.045 12.739 -21.541 1.00 92.25 C +ATOM 7181 C ILE A 920 -13.184 13.755 -22.691 1.00 92.25 C +ATOM 7182 CB ILE A 920 -14.211 11.735 -21.435 1.00 92.25 C +ATOM 7183 O ILE A 920 -12.686 13.501 -23.789 1.00 92.25 O +ATOM 7184 CG1 ILE A 920 -14.178 10.803 -22.665 1.00 92.25 C +ATOM 7185 CG2 ILE A 920 -15.574 12.419 -21.226 1.00 92.25 C +ATOM 7186 CD1 ILE A 920 -15.104 9.591 -22.568 1.00 92.25 C +ATOM 7187 N GLU A 921 -13.751 14.933 -22.428 1.00 89.69 N +ATOM 7188 CA GLU A 921 -13.793 16.071 -23.357 1.00 89.69 C +ATOM 7189 C GLU A 921 -12.411 16.712 -23.574 1.00 89.69 C +ATOM 7190 CB GLU A 921 -14.846 17.101 -22.894 1.00 89.69 C +ATOM 7191 O GLU A 921 -12.097 17.171 -24.670 1.00 89.69 O +ATOM 7192 CG GLU A 921 -14.532 17.943 -21.638 1.00 89.69 C +ATOM 7193 CD GLU A 921 -14.704 17.236 -20.284 1.00 89.69 C +ATOM 7194 OE1 GLU A 921 -14.595 17.918 -19.243 1.00 89.69 O +ATOM 7195 OE2 GLU A 921 -14.966 16.010 -20.218 1.00 89.69 O +ATOM 7196 N SER A 922 -11.525 16.675 -22.573 1.00 89.19 N +ATOM 7197 CA SER A 922 -10.138 17.140 -22.718 1.00 89.19 C +ATOM 7198 C SER A 922 -9.301 16.180 -23.570 1.00 89.19 C +ATOM 7199 CB SER A 922 -9.472 17.307 -21.349 1.00 89.19 C +ATOM 7200 O SER A 922 -8.394 16.612 -24.287 1.00 89.19 O +ATOM 7201 OG SER A 922 -10.291 18.016 -20.446 1.00 89.19 O +ATOM 7202 N LEU A 923 -9.597 14.876 -23.498 1.00 83.81 N +ATOM 7203 CA LEU A 923 -8.956 13.838 -24.312 1.00 83.81 C +ATOM 7204 C LEU A 923 -9.390 13.891 -25.785 1.00 83.81 C +ATOM 7205 CB LEU A 923 -9.269 12.447 -23.722 1.00 83.81 C +ATOM 7206 O LEU A 923 -8.564 13.611 -26.652 1.00 83.81 O +ATOM 7207 CG LEU A 923 -8.578 12.125 -22.385 1.00 83.81 C +ATOM 7208 CD1 LEU A 923 -9.117 10.808 -21.820 1.00 83.81 C +ATOM 7209 CD2 LEU A 923 -7.067 11.967 -22.552 1.00 83.81 C +ATOM 7210 N PHE A 924 -10.655 14.229 -26.063 1.00 77.50 N +ATOM 7211 CA PHE A 924 -11.214 14.228 -27.421 1.00 77.50 C +ATOM 7212 C PHE A 924 -11.152 15.597 -28.112 1.00 77.50 C +ATOM 7213 CB PHE A 924 -12.649 13.682 -27.379 1.00 77.50 C +ATOM 7214 O PHE A 924 -10.566 15.709 -29.186 1.00 77.50 O +ATOM 7215 CG PHE A 924 -13.266 13.437 -28.744 1.00 77.50 C +ATOM 7216 CD1 PHE A 924 -14.413 14.147 -29.135 1.00 77.50 C +ATOM 7217 CD2 PHE A 924 -12.683 12.522 -29.643 1.00 77.50 C +ATOM 7218 CE1 PHE A 924 -14.946 13.991 -30.424 1.00 77.50 C +ATOM 7219 CE2 PHE A 924 -13.229 12.345 -30.929 1.00 77.50 C +ATOM 7220 CZ PHE A 924 -14.354 13.091 -31.325 1.00 77.50 C +ATOM 7221 N ASP A 925 -11.717 16.629 -27.483 1.00 76.69 N +ATOM 7222 CA ASP A 925 -11.921 17.959 -28.076 1.00 76.69 C +ATOM 7223 C ASP A 925 -10.872 18.988 -27.619 1.00 76.69 C +ATOM 7224 CB ASP A 925 -13.335 18.449 -27.727 1.00 76.69 C +ATOM 7225 O ASP A 925 -10.904 20.144 -28.036 1.00 76.69 O +ATOM 7226 CG ASP A 925 -14.433 17.512 -28.226 1.00 76.69 C +ATOM 7227 OD1 ASP A 925 -14.507 17.298 -29.457 1.00 76.69 O +ATOM 7228 OD2 ASP A 925 -15.177 16.989 -27.365 1.00 76.69 O +ATOM 7229 N HIS A 926 -9.954 18.591 -26.728 1.00 77.50 N +ATOM 7230 CA HIS A 926 -9.018 19.485 -26.031 1.00 77.50 C +ATOM 7231 C HIS A 926 -9.711 20.612 -25.245 1.00 77.50 C +ATOM 7232 CB HIS A 926 -7.904 19.964 -26.977 1.00 77.50 C +ATOM 7233 O HIS A 926 -9.127 21.670 -25.005 1.00 77.50 O +ATOM 7234 CG HIS A 926 -7.131 18.836 -27.612 1.00 77.50 C +ATOM 7235 CD2 HIS A 926 -6.675 18.789 -28.902 1.00 77.50 C +ATOM 7236 ND1 HIS A 926 -6.774 17.650 -27.010 1.00 77.50 N +ATOM 7237 CE1 HIS A 926 -6.119 16.910 -27.920 1.00 77.50 C +ATOM 7238 NE2 HIS A 926 -6.007 17.572 -29.085 1.00 77.50 N +ATOM 7239 N ILE A 927 -10.943 20.362 -24.792 1.00 80.75 N +ATOM 7240 CA ILE A 927 -11.704 21.270 -23.935 1.00 80.75 C +ATOM 7241 C ILE A 927 -11.167 21.174 -22.503 1.00 80.75 C +ATOM 7242 CB ILE A 927 -13.215 20.963 -24.051 1.00 80.75 C +ATOM 7243 O ILE A 927 -11.145 20.099 -21.901 1.00 80.75 O +ATOM 7244 CG1 ILE A 927 -13.709 21.351 -25.465 1.00 80.75 C +ATOM 7245 CG2 ILE A 927 -14.026 21.707 -22.974 1.00 80.75 C +ATOM 7246 CD1 ILE A 927 -15.135 20.882 -25.783 1.00 80.75 C +ATOM 7247 N TYR A 928 -10.754 22.311 -21.944 1.00 84.62 N +ATOM 7248 CA TYR A 928 -10.321 22.439 -20.553 1.00 84.62 C +ATOM 7249 C TYR A 928 -11.189 23.487 -19.856 1.00 84.62 C +ATOM 7250 CB TYR A 928 -8.836 22.813 -20.480 1.00 84.62 C +ATOM 7251 O TYR A 928 -11.228 24.642 -20.266 1.00 84.62 O +ATOM 7252 CG TYR A 928 -7.886 21.802 -21.099 1.00 84.62 C +ATOM 7253 CD1 TYR A 928 -7.409 20.709 -20.347 1.00 84.62 C +ATOM 7254 CD2 TYR A 928 -7.482 21.956 -22.438 1.00 84.62 C +ATOM 7255 CE1 TYR A 928 -6.533 19.774 -20.935 1.00 84.62 C +ATOM 7256 CE2 TYR A 928 -6.630 21.010 -23.037 1.00 84.62 C +ATOM 7257 OH TYR A 928 -5.314 19.022 -22.870 1.00 84.62 O +ATOM 7258 CZ TYR A 928 -6.159 19.912 -22.291 1.00 84.62 C +ATOM 7259 N THR A 929 -11.893 23.074 -18.808 1.00 90.38 N +ATOM 7260 CA THR A 929 -12.811 23.902 -18.010 1.00 90.38 C +ATOM 7261 C THR A 929 -12.717 23.517 -16.535 1.00 90.38 C +ATOM 7262 CB THR A 929 -14.273 23.717 -18.459 1.00 90.38 C +ATOM 7263 O THR A 929 -12.170 22.463 -16.199 1.00 90.38 O +ATOM 7264 CG2 THR A 929 -14.523 24.008 -19.937 1.00 90.38 C +ATOM 7265 OG1 THR A 929 -14.697 22.395 -18.206 1.00 90.38 O +ATOM 7266 N THR A 930 -13.341 24.289 -15.645 1.00 93.88 N +ATOM 7267 CA THR A 930 -13.531 23.892 -14.239 1.00 93.88 C +ATOM 7268 C THR A 930 -14.133 22.485 -14.101 1.00 93.88 C +ATOM 7269 CB THR A 930 -14.453 24.901 -13.545 1.00 93.88 C +ATOM 7270 O THR A 930 -13.693 21.714 -13.255 1.00 93.88 O +ATOM 7271 CG2 THR A 930 -14.548 24.680 -12.040 1.00 93.88 C +ATOM 7272 OG1 THR A 930 -13.979 26.208 -13.776 1.00 93.88 O +ATOM 7273 N GLN A 931 -15.059 22.083 -14.981 1.00 96.25 N +ATOM 7274 CA GLN A 931 -15.655 20.738 -14.953 1.00 96.25 C +ATOM 7275 C GLN A 931 -14.674 19.631 -15.389 1.00 96.25 C +ATOM 7276 CB GLN A 931 -16.932 20.706 -15.810 1.00 96.25 C +ATOM 7277 O GLN A 931 -14.854 18.468 -15.016 1.00 96.25 O +ATOM 7278 CG GLN A 931 -18.009 21.717 -15.380 1.00 96.25 C +ATOM 7279 CD GLN A 931 -18.440 21.545 -13.927 1.00 96.25 C +ATOM 7280 NE2 GLN A 931 -19.343 20.635 -13.650 1.00 96.25 N +ATOM 7281 OE1 GLN A 931 -17.946 22.215 -13.034 1.00 96.25 O +ATOM 7282 N SER A 932 -13.613 19.971 -16.130 1.00 94.12 N +ATOM 7283 CA SER A 932 -12.499 19.051 -16.411 1.00 94.12 C +ATOM 7284 C SER A 932 -11.524 18.929 -15.229 1.00 94.12 C +ATOM 7285 CB SER A 932 -11.781 19.423 -17.716 1.00 94.12 C +ATOM 7286 O SER A 932 -10.981 17.849 -14.977 1.00 94.12 O +ATOM 7287 OG SER A 932 -10.955 20.570 -17.602 1.00 94.12 O +ATOM 7288 N ASP A 933 -11.375 19.990 -14.426 1.00 96.38 N +ATOM 7289 CA ASP A 933 -10.666 19.907 -13.146 1.00 96.38 C +ATOM 7290 C ASP A 933 -11.476 19.115 -12.108 1.00 96.38 C +ATOM 7291 CB ASP A 933 -10.330 21.293 -12.586 1.00 96.38 C +ATOM 7292 O ASP A 933 -10.884 18.382 -11.325 1.00 96.38 O +ATOM 7293 CG ASP A 933 -9.286 22.082 -13.375 1.00 96.38 C +ATOM 7294 OD1 ASP A 933 -8.368 21.485 -13.981 1.00 96.38 O +ATOM 7295 OD2 ASP A 933 -9.358 23.326 -13.313 1.00 96.38 O +ATOM 7296 N VAL A 934 -12.815 19.174 -12.123 1.00 98.25 N +ATOM 7297 CA VAL A 934 -13.680 18.315 -11.282 1.00 98.25 C +ATOM 7298 C VAL A 934 -13.455 16.829 -11.588 1.00 98.25 C +ATOM 7299 CB VAL A 934 -15.168 18.691 -11.443 1.00 98.25 C +ATOM 7300 O VAL A 934 -13.323 16.020 -10.670 1.00 98.25 O +ATOM 7301 CG1 VAL A 934 -16.108 17.653 -10.819 1.00 98.25 C +ATOM 7302 CG2 VAL A 934 -15.463 20.046 -10.791 1.00 98.25 C +ATOM 7303 N TRP A 935 -13.329 16.452 -12.863 1.00 98.00 N +ATOM 7304 CA TRP A 935 -12.957 15.081 -13.236 1.00 98.00 C +ATOM 7305 C TRP A 935 -11.573 14.700 -12.683 1.00 98.00 C +ATOM 7306 CB TRP A 935 -12.996 14.954 -14.759 1.00 98.00 C +ATOM 7307 O TRP A 935 -11.410 13.631 -12.085 1.00 98.00 O +ATOM 7308 CG TRP A 935 -12.584 13.625 -15.308 1.00 98.00 C +ATOM 7309 CD1 TRP A 935 -11.328 13.123 -15.298 1.00 98.00 C +ATOM 7310 CD2 TRP A 935 -13.390 12.647 -16.030 1.00 98.00 C +ATOM 7311 CE2 TRP A 935 -12.551 11.553 -16.396 1.00 98.00 C +ATOM 7312 CE3 TRP A 935 -14.735 12.595 -16.452 1.00 98.00 C +ATOM 7313 NE1 TRP A 935 -11.303 11.901 -15.932 1.00 98.00 N +ATOM 7314 CH2 TRP A 935 -14.367 10.441 -17.541 1.00 98.00 C +ATOM 7315 CZ2 TRP A 935 -13.026 10.458 -17.125 1.00 98.00 C +ATOM 7316 CZ3 TRP A 935 -15.218 11.510 -17.207 1.00 98.00 C +ATOM 7317 N SER A 936 -10.593 15.596 -12.841 1.00 97.56 N +ATOM 7318 CA SER A 936 -9.232 15.430 -12.308 1.00 97.56 C +ATOM 7319 C SER A 936 -9.241 15.293 -10.777 1.00 97.56 C +ATOM 7320 CB SER A 936 -8.349 16.615 -12.719 1.00 97.56 C +ATOM 7321 O SER A 936 -8.547 14.442 -10.223 1.00 97.56 O +ATOM 7322 OG SER A 936 -8.371 16.841 -14.119 1.00 97.56 O +ATOM 7323 N PHE A 937 -10.108 16.045 -10.090 1.00 98.44 N +ATOM 7324 CA PHE A 937 -10.348 15.946 -8.652 1.00 98.44 C +ATOM 7325 C PHE A 937 -10.931 14.582 -8.261 1.00 98.44 C +ATOM 7326 CB PHE A 937 -11.255 17.092 -8.187 1.00 98.44 C +ATOM 7327 O PHE A 937 -10.487 14.001 -7.278 1.00 98.44 O +ATOM 7328 CG PHE A 937 -11.485 17.108 -6.689 1.00 98.44 C +ATOM 7329 CD1 PHE A 937 -12.626 16.490 -6.144 1.00 98.44 C +ATOM 7330 CD2 PHE A 937 -10.552 17.728 -5.836 1.00 98.44 C +ATOM 7331 CE1 PHE A 937 -12.821 16.478 -4.752 1.00 98.44 C +ATOM 7332 CE2 PHE A 937 -10.757 17.727 -4.446 1.00 98.44 C +ATOM 7333 CZ PHE A 937 -11.887 17.097 -3.904 1.00 98.44 C +ATOM 7334 N GLY A 938 -11.843 14.007 -9.052 1.00 97.88 N +ATOM 7335 CA GLY A 938 -12.297 12.624 -8.854 1.00 97.88 C +ATOM 7336 C GLY A 938 -11.142 11.611 -8.893 1.00 97.88 C +ATOM 7337 O GLY A 938 -11.071 10.715 -8.054 1.00 97.88 O +ATOM 7338 N VAL A 939 -10.182 11.787 -9.811 1.00 97.88 N +ATOM 7339 CA VAL A 939 -8.964 10.952 -9.875 1.00 97.88 C +ATOM 7340 C VAL A 939 -8.046 11.199 -8.671 1.00 97.88 C +ATOM 7341 CB VAL A 939 -8.224 11.135 -11.218 1.00 97.88 C +ATOM 7342 O VAL A 939 -7.493 10.249 -8.120 1.00 97.88 O +ATOM 7343 CG1 VAL A 939 -7.014 10.202 -11.319 1.00 97.88 C +ATOM 7344 CG2 VAL A 939 -9.141 10.805 -12.406 1.00 97.88 C +ATOM 7345 N LEU A 940 -7.938 12.442 -8.202 1.00 98.06 N +ATOM 7346 CA LEU A 940 -7.206 12.804 -6.986 1.00 98.06 C +ATOM 7347 C LEU A 940 -7.833 12.206 -5.713 1.00 98.06 C +ATOM 7348 CB LEU A 940 -7.115 14.336 -6.944 1.00 98.06 C +ATOM 7349 O LEU A 940 -7.096 11.708 -4.865 1.00 98.06 O +ATOM 7350 CG LEU A 940 -6.512 14.949 -5.672 1.00 98.06 C +ATOM 7351 CD1 LEU A 940 -5.112 14.434 -5.362 1.00 98.06 C +ATOM 7352 CD2 LEU A 940 -6.403 16.455 -5.893 1.00 98.06 C +ATOM 7353 N LEU A 941 -9.165 12.171 -5.585 1.00 97.69 N +ATOM 7354 CA LEU A 941 -9.839 11.446 -4.498 1.00 97.69 C +ATOM 7355 C LEU A 941 -9.423 9.968 -4.495 1.00 97.69 C +ATOM 7356 CB LEU A 941 -11.372 11.538 -4.636 1.00 97.69 C +ATOM 7357 O LEU A 941 -9.107 9.419 -3.439 1.00 97.69 O +ATOM 7358 CG LEU A 941 -12.029 12.907 -4.410 1.00 97.69 C +ATOM 7359 CD1 LEU A 941 -13.542 12.760 -4.597 1.00 97.69 C +ATOM 7360 CD2 LEU A 941 -11.758 13.445 -3.009 1.00 97.69 C +ATOM 7361 N TRP A 942 -9.380 9.334 -5.673 1.00 96.75 N +ATOM 7362 CA TRP A 942 -8.943 7.944 -5.820 1.00 96.75 C +ATOM 7363 C TRP A 942 -7.468 7.766 -5.416 1.00 96.75 C +ATOM 7364 CB TRP A 942 -9.234 7.464 -7.247 1.00 96.75 C +ATOM 7365 O TRP A 942 -7.141 6.829 -4.686 1.00 96.75 O +ATOM 7366 CG TRP A 942 -9.105 5.987 -7.464 1.00 96.75 C +ATOM 7367 CD1 TRP A 942 -10.130 5.105 -7.502 1.00 96.75 C +ATOM 7368 CD2 TRP A 942 -7.892 5.196 -7.670 1.00 96.75 C +ATOM 7369 CE2 TRP A 942 -8.268 3.827 -7.832 1.00 96.75 C +ATOM 7370 CE3 TRP A 942 -6.513 5.497 -7.733 1.00 96.75 C +ATOM 7371 NE1 TRP A 942 -9.646 3.834 -7.739 1.00 96.75 N +ATOM 7372 CH2 TRP A 942 -5.956 3.144 -8.084 1.00 96.75 C +ATOM 7373 CZ2 TRP A 942 -7.322 2.811 -8.037 1.00 96.75 C +ATOM 7374 CZ3 TRP A 942 -5.556 4.483 -7.927 1.00 96.75 C +ATOM 7375 N GLU A 943 -6.574 8.689 -5.801 1.00 97.06 N +ATOM 7376 CA GLU A 943 -5.183 8.706 -5.312 1.00 97.06 C +ATOM 7377 C GLU A 943 -5.104 8.844 -3.780 1.00 97.06 C +ATOM 7378 CB GLU A 943 -4.352 9.839 -5.954 1.00 97.06 C +ATOM 7379 O GLU A 943 -4.259 8.197 -3.164 1.00 97.06 O +ATOM 7380 CG GLU A 943 -4.002 9.636 -7.435 1.00 97.06 C +ATOM 7381 CD GLU A 943 -3.004 10.703 -7.921 1.00 97.06 C +ATOM 7382 OE1 GLU A 943 -1.784 10.409 -7.987 1.00 97.06 O +ATOM 7383 OE2 GLU A 943 -3.433 11.835 -8.253 1.00 97.06 O +ATOM 7384 N ILE A 944 -5.975 9.643 -3.154 1.00 95.56 N +ATOM 7385 CA ILE A 944 -5.999 9.854 -1.697 1.00 95.56 C +ATOM 7386 C ILE A 944 -6.430 8.579 -0.956 1.00 95.56 C +ATOM 7387 CB ILE A 944 -6.846 11.102 -1.340 1.00 95.56 C +ATOM 7388 O ILE A 944 -5.682 8.100 -0.101 1.00 95.56 O +ATOM 7389 CG1 ILE A 944 -6.111 12.388 -1.788 1.00 95.56 C +ATOM 7390 CG2 ILE A 944 -7.130 11.188 0.170 1.00 95.56 C +ATOM 7391 CD1 ILE A 944 -6.995 13.644 -1.794 1.00 95.56 C +ATOM 7392 N VAL A 945 -7.580 7.983 -1.299 1.00 93.88 N +ATOM 7393 CA VAL A 945 -8.096 6.787 -0.588 1.00 93.88 C +ATOM 7394 C VAL A 945 -7.252 5.529 -0.826 1.00 93.88 C +ATOM 7395 CB VAL A 945 -9.578 6.496 -0.889 1.00 93.88 C +ATOM 7396 O VAL A 945 -7.235 4.629 0.009 1.00 93.88 O +ATOM 7397 CG1 VAL A 945 -10.478 7.684 -0.531 1.00 93.88 C +ATOM 7398 CG2 VAL A 945 -9.823 6.101 -2.346 1.00 93.88 C +ATOM 7399 N THR A 946 -6.501 5.475 -1.932 1.00 92.56 N +ATOM 7400 CA THR A 946 -5.528 4.403 -2.214 1.00 92.56 C +ATOM 7401 C THR A 946 -4.130 4.689 -1.654 1.00 92.56 C +ATOM 7402 CB THR A 946 -5.439 4.075 -3.712 1.00 92.56 C +ATOM 7403 O THR A 946 -3.176 3.985 -1.994 1.00 92.56 O +ATOM 7404 CG2 THR A 946 -6.756 3.563 -4.281 1.00 92.56 C +ATOM 7405 OG1 THR A 946 -5.026 5.203 -4.449 1.00 92.56 O +ATOM 7406 N LEU A 947 -3.961 5.722 -0.820 1.00 92.50 N +ATOM 7407 CA LEU A 947 -2.675 6.131 -0.242 1.00 92.50 C +ATOM 7408 C LEU A 947 -1.575 6.311 -1.311 1.00 92.50 C +ATOM 7409 CB LEU A 947 -2.275 5.186 0.913 1.00 92.50 C +ATOM 7410 O LEU A 947 -0.488 5.738 -1.234 1.00 92.50 O +ATOM 7411 CG LEU A 947 -3.280 5.095 2.077 1.00 92.50 C +ATOM 7412 CD1 LEU A 947 -2.734 4.127 3.126 1.00 92.50 C +ATOM 7413 CD2 LEU A 947 -3.517 6.450 2.747 1.00 92.50 C +ATOM 7414 N GLY A 948 -1.874 7.070 -2.364 1.00 91.69 N +ATOM 7415 CA GLY A 948 -0.968 7.344 -3.480 1.00 91.69 C +ATOM 7416 C GLY A 948 -0.881 6.213 -4.509 1.00 91.69 C +ATOM 7417 O GLY A 948 0.208 5.955 -5.041 1.00 91.69 O +ATOM 7418 N GLY A 949 -1.990 5.520 -4.791 1.00 90.94 N +ATOM 7419 CA GLY A 949 -2.086 4.550 -5.888 1.00 90.94 C +ATOM 7420 C GLY A 949 -1.772 5.161 -7.261 1.00 90.94 C +ATOM 7421 O GLY A 949 -1.628 6.372 -7.409 1.00 90.94 O +ATOM 7422 N ASN A 950 -1.621 4.321 -8.287 1.00 92.06 N +ATOM 7423 CA ASN A 950 -1.514 4.792 -9.671 1.00 92.06 C +ATOM 7424 C ASN A 950 -2.893 4.617 -10.337 1.00 92.06 C +ATOM 7425 CB ASN A 950 -0.421 4.006 -10.420 1.00 92.06 C +ATOM 7426 O ASN A 950 -3.320 3.467 -10.454 1.00 92.06 O +ATOM 7427 CG ASN A 950 0.971 4.094 -9.812 1.00 92.06 C +ATOM 7428 ND2 ASN A 950 1.602 2.962 -9.600 1.00 92.06 N +ATOM 7429 OD1 ASN A 950 1.528 5.153 -9.531 1.00 92.06 O +ATOM 7430 N PRO A 951 -3.581 5.692 -10.772 1.00 93.38 N +ATOM 7431 CA PRO A 951 -4.897 5.584 -11.399 1.00 93.38 C +ATOM 7432 C PRO A 951 -4.923 4.642 -12.605 1.00 93.38 C +ATOM 7433 CB PRO A 951 -5.291 7.009 -11.790 1.00 93.38 C +ATOM 7434 O PRO A 951 -3.932 4.519 -13.338 1.00 93.38 O +ATOM 7435 CG PRO A 951 -4.582 7.849 -10.731 1.00 93.38 C +ATOM 7436 CD PRO A 951 -3.267 7.096 -10.538 1.00 93.38 C +ATOM 7437 N TYR A 952 -6.077 4.009 -12.827 1.00 92.44 N +ATOM 7438 CA TYR A 952 -6.314 3.018 -13.880 1.00 92.44 C +ATOM 7439 C TYR A 952 -5.169 1.984 -13.937 1.00 92.44 C +ATOM 7440 CB TYR A 952 -6.580 3.740 -15.214 1.00 92.44 C +ATOM 7441 O TYR A 952 -4.422 1.966 -14.926 1.00 92.44 O +ATOM 7442 CG TYR A 952 -7.733 4.724 -15.178 1.00 92.44 C +ATOM 7443 CD1 TYR A 952 -9.046 4.277 -15.420 1.00 92.44 C +ATOM 7444 CD2 TYR A 952 -7.494 6.083 -14.893 1.00 92.44 C +ATOM 7445 CE1 TYR A 952 -10.119 5.188 -15.380 1.00 92.44 C +ATOM 7446 CE2 TYR A 952 -8.567 6.991 -14.825 1.00 92.44 C +ATOM 7447 OH TYR A 952 -10.928 7.405 -14.966 1.00 92.44 O +ATOM 7448 CZ TYR A 952 -9.884 6.543 -15.064 1.00 92.44 C +ATOM 7449 N PRO A 953 -4.931 1.210 -12.857 1.00 87.50 N +ATOM 7450 CA PRO A 953 -3.812 0.273 -12.779 1.00 87.50 C +ATOM 7451 C PRO A 953 -3.837 -0.696 -13.965 1.00 87.50 C +ATOM 7452 CB PRO A 953 -3.937 -0.437 -11.426 1.00 87.50 C +ATOM 7453 O PRO A 953 -4.895 -1.127 -14.414 1.00 87.50 O +ATOM 7454 CG PRO A 953 -5.420 -0.297 -11.085 1.00 87.50 C +ATOM 7455 CD PRO A 953 -5.780 1.062 -11.681 1.00 87.50 C +ATOM 7456 N GLY A 954 -2.663 -0.945 -14.548 1.00 85.62 N +ATOM 7457 CA GLY A 954 -2.512 -1.836 -15.696 1.00 85.62 C +ATOM 7458 C GLY A 954 -3.085 -1.367 -17.044 1.00 85.62 C +ATOM 7459 O GLY A 954 -2.642 -1.842 -18.088 1.00 85.62 O +ATOM 7460 N ILE A 955 -3.998 -0.389 -17.070 1.00 86.81 N +ATOM 7461 CA ILE A 955 -4.562 0.162 -18.312 1.00 86.81 C +ATOM 7462 C ILE A 955 -3.546 1.135 -18.950 1.00 86.81 C +ATOM 7463 CB ILE A 955 -5.941 0.817 -18.060 1.00 86.81 C +ATOM 7464 O ILE A 955 -3.158 2.123 -18.305 1.00 86.81 O +ATOM 7465 CG1 ILE A 955 -6.943 -0.207 -17.468 1.00 86.81 C +ATOM 7466 CG2 ILE A 955 -6.503 1.410 -19.370 1.00 86.81 C +ATOM 7467 CD1 ILE A 955 -8.268 0.388 -16.969 1.00 86.81 C +ATOM 7468 N PRO A 956 -3.112 0.906 -20.207 1.00 82.38 N +ATOM 7469 CA PRO A 956 -2.202 1.809 -20.904 1.00 82.38 C +ATOM 7470 C PRO A 956 -2.941 3.081 -21.380 1.00 82.38 C +ATOM 7471 CB PRO A 956 -1.614 0.981 -22.049 1.00 82.38 C +ATOM 7472 O PRO A 956 -4.111 2.991 -21.779 1.00 82.38 O +ATOM 7473 CG PRO A 956 -2.745 0.020 -22.391 1.00 82.38 C +ATOM 7474 CD PRO A 956 -3.391 -0.260 -21.035 1.00 82.38 C +ATOM 7475 N PRO A 957 -2.302 4.271 -21.352 1.00 79.31 N +ATOM 7476 CA PRO A 957 -2.939 5.552 -21.696 1.00 79.31 C +ATOM 7477 C PRO A 957 -3.652 5.573 -23.057 1.00 79.31 C +ATOM 7478 CB PRO A 957 -1.799 6.579 -21.677 1.00 79.31 C +ATOM 7479 O PRO A 957 -4.691 6.212 -23.203 1.00 79.31 O +ATOM 7480 CG PRO A 957 -0.810 5.997 -20.675 1.00 79.31 C +ATOM 7481 CD PRO A 957 -0.922 4.499 -20.935 1.00 79.31 C +ATOM 7482 N GLU A 958 -3.137 4.836 -24.040 1.00 81.56 N +ATOM 7483 CA GLU A 958 -3.649 4.767 -25.411 1.00 81.56 C +ATOM 7484 C GLU A 958 -4.982 4.011 -25.514 1.00 81.56 C +ATOM 7485 CB GLU A 958 -2.617 4.081 -26.331 1.00 81.56 C +ATOM 7486 O GLU A 958 -5.774 4.284 -26.416 1.00 81.56 O +ATOM 7487 CG GLU A 958 -1.209 4.709 -26.360 1.00 81.56 C +ATOM 7488 CD GLU A 958 -0.363 4.469 -25.094 1.00 81.56 C +ATOM 7489 OE1 GLU A 958 0.604 5.233 -24.902 1.00 81.56 O +ATOM 7490 OE2 GLU A 958 -0.721 3.573 -24.294 1.00 81.56 O +ATOM 7491 N ARG A 959 -5.252 3.067 -24.597 1.00 86.75 N +ATOM 7492 CA ARG A 959 -6.538 2.342 -24.522 1.00 86.75 C +ATOM 7493 C ARG A 959 -7.566 3.061 -23.643 1.00 86.75 C +ATOM 7494 CB ARG A 959 -6.332 0.890 -24.043 1.00 86.75 C +ATOM 7495 O ARG A 959 -8.765 2.860 -23.837 1.00 86.75 O +ATOM 7496 CG ARG A 959 -5.577 -0.003 -25.049 1.00 86.75 C +ATOM 7497 CD ARG A 959 -5.547 -1.470 -24.572 1.00 86.75 C +ATOM 7498 NE ARG A 959 -4.804 -2.365 -25.492 1.00 86.75 N +ATOM 7499 NH1 ARG A 959 -5.466 -4.408 -24.623 1.00 86.75 N +ATOM 7500 NH2 ARG A 959 -4.088 -4.369 -26.349 1.00 86.75 N +ATOM 7501 CZ ARG A 959 -4.791 -3.696 -25.481 1.00 86.75 C +ATOM 7502 N LEU A 960 -7.117 3.905 -22.709 1.00 86.75 N +ATOM 7503 CA LEU A 960 -7.971 4.529 -21.693 1.00 86.75 C +ATOM 7504 C LEU A 960 -9.123 5.347 -22.298 1.00 86.75 C +ATOM 7505 CB LEU A 960 -7.092 5.381 -20.759 1.00 86.75 C +ATOM 7506 O LEU A 960 -10.256 5.221 -21.843 1.00 86.75 O +ATOM 7507 CG LEU A 960 -7.872 6.065 -19.619 1.00 86.75 C +ATOM 7508 CD1 LEU A 960 -8.584 5.062 -18.714 1.00 86.75 C +ATOM 7509 CD2 LEU A 960 -6.916 6.876 -18.750 1.00 86.75 C +ATOM 7510 N PHE A 961 -8.869 6.124 -23.355 1.00 84.56 N +ATOM 7511 CA PHE A 961 -9.911 6.924 -24.012 1.00 84.56 C +ATOM 7512 C PHE A 961 -11.093 6.073 -24.512 1.00 84.56 C +ATOM 7513 CB PHE A 961 -9.290 7.710 -25.174 1.00 84.56 C +ATOM 7514 O PHE A 961 -12.254 6.415 -24.283 1.00 84.56 O +ATOM 7515 CG PHE A 961 -10.329 8.484 -25.961 1.00 84.56 C +ATOM 7516 CD1 PHE A 961 -10.694 8.083 -27.262 1.00 84.56 C +ATOM 7517 CD2 PHE A 961 -11.004 9.552 -25.344 1.00 84.56 C +ATOM 7518 CE1 PHE A 961 -11.718 8.764 -27.947 1.00 84.56 C +ATOM 7519 CE2 PHE A 961 -12.039 10.215 -26.018 1.00 84.56 C +ATOM 7520 CZ PHE A 961 -12.392 9.829 -27.323 1.00 84.56 C +ATOM 7521 N ASN A 962 -10.804 4.933 -25.149 1.00 85.94 N +ATOM 7522 CA ASN A 962 -11.836 4.040 -25.676 1.00 85.94 C +ATOM 7523 C ASN A 962 -12.651 3.393 -24.545 1.00 85.94 C +ATOM 7524 CB ASN A 962 -11.182 2.986 -26.586 1.00 85.94 C +ATOM 7525 O ASN A 962 -13.870 3.301 -24.659 1.00 85.94 O +ATOM 7526 CG ASN A 962 -10.622 3.560 -27.878 1.00 85.94 C +ATOM 7527 ND2 ASN A 962 -9.704 2.864 -28.504 1.00 85.94 N +ATOM 7528 OD1 ASN A 962 -10.995 4.618 -28.356 1.00 85.94 O +ATOM 7529 N LEU A 963 -11.998 3.011 -23.441 1.00 89.25 N +ATOM 7530 CA LEU A 963 -12.665 2.486 -22.244 1.00 89.25 C +ATOM 7531 C LEU A 963 -13.594 3.528 -21.611 1.00 89.25 C +ATOM 7532 CB LEU A 963 -11.601 1.997 -21.244 1.00 89.25 C +ATOM 7533 O LEU A 963 -14.782 3.257 -21.437 1.00 89.25 O +ATOM 7534 CG LEU A 963 -11.119 0.569 -21.552 1.00 89.25 C +ATOM 7535 CD1 LEU A 963 -9.755 0.320 -20.911 1.00 89.25 C +ATOM 7536 CD2 LEU A 963 -12.105 -0.468 -21.009 1.00 89.25 C +ATOM 7537 N LEU A 964 -13.105 4.745 -21.354 1.00 91.50 N +ATOM 7538 CA LEU A 964 -13.918 5.822 -20.773 1.00 91.50 C +ATOM 7539 C LEU A 964 -15.161 6.138 -21.622 1.00 91.50 C +ATOM 7540 CB LEU A 964 -13.051 7.081 -20.601 1.00 91.50 C +ATOM 7541 O LEU A 964 -16.224 6.432 -21.069 1.00 91.50 O +ATOM 7542 CG LEU A 964 -11.944 6.976 -19.539 1.00 91.50 C +ATOM 7543 CD1 LEU A 964 -11.095 8.247 -19.589 1.00 91.50 C +ATOM 7544 CD2 LEU A 964 -12.518 6.798 -18.135 1.00 91.50 C +ATOM 7545 N LYS A 965 -15.052 6.022 -22.953 1.00 86.69 N +ATOM 7546 CA LYS A 965 -16.155 6.240 -23.900 1.00 86.69 C +ATOM 7547 C LYS A 965 -17.259 5.174 -23.830 1.00 86.69 C +ATOM 7548 CB LYS A 965 -15.558 6.376 -25.310 1.00 86.69 C +ATOM 7549 O LYS A 965 -18.389 5.473 -24.198 1.00 86.69 O +ATOM 7550 CG LYS A 965 -16.595 6.867 -26.328 1.00 86.69 C +ATOM 7551 CD LYS A 965 -15.951 7.163 -27.684 1.00 86.69 C +ATOM 7552 CE LYS A 965 -17.042 7.673 -28.630 1.00 86.69 C +ATOM 7553 NZ LYS A 965 -16.480 8.082 -29.939 1.00 86.69 N +ATOM 7554 N THR A 966 -16.970 3.969 -23.331 1.00 88.19 N +ATOM 7555 CA THR A 966 -17.996 2.933 -23.070 1.00 88.19 C +ATOM 7556 C THR A 966 -18.759 3.142 -21.757 1.00 88.19 C +ATOM 7557 CB THR A 966 -17.427 1.504 -23.107 1.00 88.19 C +ATOM 7558 O THR A 966 -19.677 2.389 -21.461 1.00 88.19 O +ATOM 7559 CG2 THR A 966 -16.766 1.169 -24.443 1.00 88.19 C +ATOM 7560 OG1 THR A 966 -16.486 1.280 -22.081 1.00 88.19 O +ATOM 7561 N GLY A 967 -18.396 4.158 -20.965 1.00 89.38 N +ATOM 7562 CA GLY A 967 -18.969 4.410 -19.640 1.00 89.38 C +ATOM 7563 C GLY A 967 -18.168 3.804 -18.483 1.00 89.38 C +ATOM 7564 O GLY A 967 -18.391 4.206 -17.345 1.00 89.38 O +ATOM 7565 N HIS A 968 -17.189 2.932 -18.753 1.00 91.19 N +ATOM 7566 CA HIS A 968 -16.300 2.365 -17.732 1.00 91.19 C +ATOM 7567 C HIS A 968 -15.568 3.458 -16.928 1.00 91.19 C +ATOM 7568 CB HIS A 968 -15.312 1.394 -18.396 1.00 91.19 C +ATOM 7569 O HIS A 968 -15.153 4.485 -17.480 1.00 91.19 O +ATOM 7570 CG HIS A 968 -14.273 0.841 -17.451 1.00 91.19 C +ATOM 7571 CD2 HIS A 968 -12.976 1.265 -17.352 1.00 91.19 C +ATOM 7572 ND1 HIS A 968 -14.452 -0.127 -16.485 1.00 91.19 N +ATOM 7573 CE1 HIS A 968 -13.289 -0.277 -15.823 1.00 91.19 C +ATOM 7574 NE2 HIS A 968 -12.353 0.551 -16.330 1.00 91.19 N +ATOM 7575 N ARG A 969 -15.405 3.231 -15.621 1.00 94.31 N +ATOM 7576 CA ARG A 969 -14.719 4.090 -14.638 1.00 94.31 C +ATOM 7577 C ARG A 969 -13.915 3.207 -13.679 1.00 94.31 C +ATOM 7578 CB ARG A 969 -15.749 4.925 -13.846 1.00 94.31 C +ATOM 7579 O ARG A 969 -14.136 2.004 -13.642 1.00 94.31 O +ATOM 7580 CG ARG A 969 -16.596 5.894 -14.686 1.00 94.31 C +ATOM 7581 CD ARG A 969 -15.744 6.929 -15.431 1.00 94.31 C +ATOM 7582 NE ARG A 969 -16.574 7.861 -16.219 1.00 94.31 N +ATOM 7583 NH1 ARG A 969 -16.445 6.855 -18.285 1.00 94.31 N +ATOM 7584 NH2 ARG A 969 -17.480 8.822 -18.052 1.00 94.31 N +ATOM 7585 CZ ARG A 969 -16.833 7.826 -17.513 1.00 94.31 C +ATOM 7586 N MET A 970 -13.009 3.801 -12.898 1.00 93.81 N +ATOM 7587 CA MET A 970 -12.309 3.054 -11.845 1.00 93.81 C +ATOM 7588 C MET A 970 -13.296 2.553 -10.789 1.00 93.81 C +ATOM 7589 CB MET A 970 -11.223 3.897 -11.159 1.00 93.81 C +ATOM 7590 O MET A 970 -14.215 3.273 -10.389 1.00 93.81 O +ATOM 7591 CG MET A 970 -10.110 4.292 -12.129 1.00 93.81 C +ATOM 7592 SD MET A 970 -8.681 5.134 -11.394 1.00 93.81 S +ATOM 7593 CE MET A 970 -9.430 6.716 -10.942 1.00 93.81 C +ATOM 7594 N GLU A 971 -13.068 1.337 -10.314 1.00 91.88 N +ATOM 7595 CA GLU A 971 -13.860 0.709 -9.258 1.00 91.88 C +ATOM 7596 C GLU A 971 -13.607 1.324 -7.883 1.00 91.88 C +ATOM 7597 CB GLU A 971 -13.514 -0.768 -9.205 1.00 91.88 C +ATOM 7598 O GLU A 971 -12.677 2.117 -7.685 1.00 91.88 O +ATOM 7599 CG GLU A 971 -13.951 -1.473 -10.495 1.00 91.88 C +ATOM 7600 CD GLU A 971 -12.837 -2.376 -10.994 1.00 91.88 C +ATOM 7601 OE1 GLU A 971 -12.686 -2.509 -12.231 1.00 91.88 O +ATOM 7602 OE2 GLU A 971 -12.086 -2.899 -10.144 1.00 91.88 O +ATOM 7603 N ARG A 972 -14.457 0.934 -6.927 1.00 92.75 N +ATOM 7604 CA ARG A 972 -14.379 1.341 -5.528 1.00 92.75 C +ATOM 7605 C ARG A 972 -13.168 0.685 -4.854 1.00 92.75 C +ATOM 7606 CB ARG A 972 -15.686 0.950 -4.818 1.00 92.75 C +ATOM 7607 O ARG A 972 -13.167 -0.534 -4.721 1.00 92.75 O +ATOM 7608 CG ARG A 972 -15.743 1.565 -3.413 1.00 92.75 C +ATOM 7609 CD ARG A 972 -17.083 1.300 -2.719 1.00 92.75 C +ATOM 7610 NE ARG A 972 -17.156 -0.099 -2.270 1.00 92.75 N +ATOM 7611 NH1 ARG A 972 -19.380 -0.148 -1.651 1.00 92.75 N +ATOM 7612 NH2 ARG A 972 -18.086 -1.942 -1.358 1.00 92.75 N +ATOM 7613 CZ ARG A 972 -18.208 -0.710 -1.765 1.00 92.75 C +ATOM 7614 N PRO A 973 -12.178 1.456 -4.369 1.00 88.88 N +ATOM 7615 CA PRO A 973 -11.081 0.897 -3.579 1.00 88.88 C +ATOM 7616 C PRO A 973 -11.575 0.329 -2.245 1.00 88.88 C +ATOM 7617 CB PRO A 973 -10.099 2.054 -3.357 1.00 88.88 C +ATOM 7618 O PRO A 973 -12.486 0.902 -1.648 1.00 88.88 O +ATOM 7619 CG PRO A 973 -10.424 3.005 -4.507 1.00 88.88 C +ATOM 7620 CD PRO A 973 -11.936 2.867 -4.617 1.00 88.88 C +ATOM 7621 N ASP A 974 -10.918 -0.714 -1.733 1.00 76.62 N +ATOM 7622 CA ASP A 974 -11.315 -1.421 -0.499 1.00 76.62 C +ATOM 7623 C ASP A 974 -11.479 -0.487 0.710 1.00 76.62 C +ATOM 7624 CB ASP A 974 -10.254 -2.480 -0.157 1.00 76.62 C +ATOM 7625 O ASP A 974 -12.426 -0.596 1.485 1.00 76.62 O +ATOM 7626 CG ASP A 974 -9.931 -3.387 -1.342 1.00 76.62 C +ATOM 7627 OD1 ASP A 974 -10.895 -3.897 -1.948 1.00 76.62 O +ATOM 7628 OD2 ASP A 974 -8.729 -3.464 -1.679 1.00 76.62 O +ATOM 7629 N ASN A 975 -10.581 0.494 0.834 1.00 72.12 N +ATOM 7630 CA ASN A 975 -10.570 1.465 1.930 1.00 72.12 C +ATOM 7631 C ASN A 975 -11.535 2.652 1.717 1.00 72.12 C +ATOM 7632 CB ASN A 975 -9.117 1.927 2.160 1.00 72.12 C +ATOM 7633 O ASN A 975 -11.481 3.624 2.469 1.00 72.12 O +ATOM 7634 CG ASN A 975 -8.191 0.812 2.618 1.00 72.12 C +ATOM 7635 ND2 ASN A 975 -6.908 0.954 2.390 1.00 72.12 N +ATOM 7636 OD1 ASN A 975 -8.582 -0.178 3.201 1.00 72.12 O +ATOM 7637 N CYS A 976 -12.381 2.642 0.684 1.00 85.06 N +ATOM 7638 CA CYS A 976 -13.237 3.772 0.322 1.00 85.06 C +ATOM 7639 C CYS A 976 -14.660 3.618 0.879 1.00 85.06 C +ATOM 7640 CB CYS A 976 -13.234 3.904 -1.202 1.00 85.06 C +ATOM 7641 O CYS A 976 -15.317 2.602 0.654 1.00 85.06 O +ATOM 7642 SG CYS A 976 -13.915 5.513 -1.684 1.00 85.06 S +ATOM 7643 N SER A 977 -15.180 4.648 1.558 1.00 87.06 N +ATOM 7644 CA SER A 977 -16.597 4.664 1.933 1.00 87.06 C +ATOM 7645 C SER A 977 -17.487 4.823 0.701 1.00 87.06 C +ATOM 7646 CB SER A 977 -16.919 5.736 2.984 1.00 87.06 C +ATOM 7647 O SER A 977 -17.137 5.486 -0.276 1.00 87.06 O +ATOM 7648 OG SER A 977 -16.764 7.045 2.468 1.00 87.06 O +ATOM 7649 N GLU A 978 -18.689 4.262 0.771 1.00 89.06 N +ATOM 7650 CA GLU A 978 -19.666 4.338 -0.315 1.00 89.06 C +ATOM 7651 C GLU A 978 -20.076 5.793 -0.643 1.00 89.06 C +ATOM 7652 CB GLU A 978 -20.841 3.446 0.115 1.00 89.06 C +ATOM 7653 O GLU A 978 -20.293 6.141 -1.801 1.00 89.06 O +ATOM 7654 CG GLU A 978 -21.988 3.378 -0.887 1.00 89.06 C +ATOM 7655 CD GLU A 978 -21.559 2.988 -2.306 1.00 89.06 C +ATOM 7656 OE1 GLU A 978 -22.247 3.488 -3.226 1.00 89.06 O +ATOM 7657 OE2 GLU A 978 -20.565 2.227 -2.437 1.00 89.06 O +ATOM 7658 N GLU A 979 -20.102 6.687 0.354 1.00 91.56 N +ATOM 7659 CA GLU A 979 -20.328 8.127 0.139 1.00 91.56 C +ATOM 7660 C GLU A 979 -19.189 8.788 -0.657 1.00 91.56 C +ATOM 7661 CB GLU A 979 -20.520 8.848 1.486 1.00 91.56 C +ATOM 7662 O GLU A 979 -19.445 9.562 -1.580 1.00 91.56 O +ATOM 7663 CG GLU A 979 -21.696 8.289 2.302 1.00 91.56 C +ATOM 7664 CD GLU A 979 -22.078 9.183 3.494 1.00 91.56 C +ATOM 7665 OE1 GLU A 979 -23.285 9.233 3.822 1.00 91.56 O +ATOM 7666 OE2 GLU A 979 -21.199 9.837 4.092 1.00 91.56 O +ATOM 7667 N MET A 980 -17.936 8.439 -0.346 1.00 93.38 N +ATOM 7668 CA MET A 980 -16.746 8.951 -1.031 1.00 93.38 C +ATOM 7669 C MET A 980 -16.648 8.415 -2.468 1.00 93.38 C +ATOM 7670 CB MET A 980 -15.521 8.584 -0.177 1.00 93.38 C +ATOM 7671 O MET A 980 -16.335 9.166 -3.393 1.00 93.38 O +ATOM 7672 CG MET A 980 -14.184 9.014 -0.778 1.00 93.38 C +ATOM 7673 SD MET A 980 -13.929 10.795 -1.001 1.00 93.38 S +ATOM 7674 CE MET A 980 -13.728 11.294 0.729 1.00 93.38 C +ATOM 7675 N TYR A 981 -16.977 7.141 -2.696 1.00 96.50 N +ATOM 7676 CA TYR A 981 -16.989 6.572 -4.046 1.00 96.50 C +ATOM 7677 C TYR A 981 -18.109 7.149 -4.920 1.00 96.50 C +ATOM 7678 CB TYR A 981 -17.085 5.049 -3.967 1.00 96.50 C +ATOM 7679 O TYR A 981 -17.886 7.473 -6.089 1.00 96.50 O +ATOM 7680 CG TYR A 981 -16.937 4.386 -5.325 1.00 96.50 C +ATOM 7681 CD1 TYR A 981 -17.978 3.593 -5.847 1.00 96.50 C +ATOM 7682 CD2 TYR A 981 -15.765 4.593 -6.081 1.00 96.50 C +ATOM 7683 CE1 TYR A 981 -17.840 3.006 -7.121 1.00 96.50 C +ATOM 7684 CE2 TYR A 981 -15.636 4.026 -7.362 1.00 96.50 C +ATOM 7685 OH TYR A 981 -16.560 2.687 -9.125 1.00 96.50 O +ATOM 7686 CZ TYR A 981 -16.676 3.231 -7.886 1.00 96.50 C +ATOM 7687 N ARG A 982 -19.296 7.384 -4.347 1.00 96.31 N +ATOM 7688 CA ARG A 982 -20.391 8.076 -5.041 1.00 96.31 C +ATOM 7689 C ARG A 982 -19.982 9.473 -5.511 1.00 96.31 C +ATOM 7690 CB ARG A 982 -21.604 8.110 -4.109 1.00 96.31 C +ATOM 7691 O ARG A 982 -20.315 9.844 -6.636 1.00 96.31 O +ATOM 7692 CG ARG A 982 -22.862 8.660 -4.800 1.00 96.31 C +ATOM 7693 CD ARG A 982 -24.071 8.623 -3.856 1.00 96.31 C +ATOM 7694 NE ARG A 982 -24.348 7.244 -3.407 1.00 96.31 N +ATOM 7695 NH1 ARG A 982 -24.038 7.495 -1.133 1.00 96.31 N +ATOM 7696 NH2 ARG A 982 -24.315 5.465 -2.025 1.00 96.31 N +ATOM 7697 CZ ARG A 982 -24.235 6.750 -2.189 1.00 96.31 C +ATOM 7698 N LEU A 983 -19.223 10.211 -4.699 1.00 97.31 N +ATOM 7699 CA LEU A 983 -18.659 11.510 -5.076 1.00 97.31 C +ATOM 7700 C LEU A 983 -17.677 11.387 -6.261 1.00 97.31 C +ATOM 7701 CB LEU A 983 -18.023 12.136 -3.821 1.00 97.31 C +ATOM 7702 O LEU A 983 -17.769 12.165 -7.209 1.00 97.31 O +ATOM 7703 CG LEU A 983 -17.433 13.543 -4.016 1.00 97.31 C +ATOM 7704 CD1 LEU A 983 -18.493 14.571 -4.412 1.00 97.31 C +ATOM 7705 CD2 LEU A 983 -16.783 13.993 -2.707 1.00 97.31 C +ATOM 7706 N MET A 984 -16.808 10.367 -6.288 1.00 97.94 N +ATOM 7707 CA MET A 984 -15.936 10.096 -7.450 1.00 97.94 C +ATOM 7708 C MET A 984 -16.744 9.828 -8.732 1.00 97.94 C +ATOM 7709 CB MET A 984 -15.012 8.896 -7.190 1.00 97.94 C +ATOM 7710 O MET A 984 -16.461 10.410 -9.781 1.00 97.94 O +ATOM 7711 CG MET A 984 -14.039 9.085 -6.028 1.00 97.94 C +ATOM 7712 SD MET A 984 -13.179 7.550 -5.584 1.00 97.94 S +ATOM 7713 CE MET A 984 -12.474 8.066 -4.005 1.00 97.94 C +ATOM 7714 N LEU A 985 -17.793 9.000 -8.654 1.00 97.25 N +ATOM 7715 CA LEU A 985 -18.670 8.693 -9.794 1.00 97.25 C +ATOM 7716 C LEU A 985 -19.456 9.914 -10.302 1.00 97.25 C +ATOM 7717 CB LEU A 985 -19.648 7.573 -9.401 1.00 97.25 C +ATOM 7718 O LEU A 985 -19.745 10.005 -11.498 1.00 97.25 O +ATOM 7719 CG LEU A 985 -19.027 6.178 -9.203 1.00 97.25 C +ATOM 7720 CD1 LEU A 985 -20.143 5.221 -8.783 1.00 97.25 C +ATOM 7721 CD2 LEU A 985 -18.392 5.644 -10.489 1.00 97.25 C +ATOM 7722 N GLN A 986 -19.799 10.857 -9.421 1.00 97.56 N +ATOM 7723 CA GLN A 986 -20.374 12.151 -9.803 1.00 97.56 C +ATOM 7724 C GLN A 986 -19.346 13.023 -10.542 1.00 97.56 C +ATOM 7725 CB GLN A 986 -20.903 12.866 -8.554 1.00 97.56 C +ATOM 7726 O GLN A 986 -19.654 13.565 -11.605 1.00 97.56 O +ATOM 7727 CG GLN A 986 -22.190 12.259 -7.974 1.00 97.56 C +ATOM 7728 CD GLN A 986 -22.571 12.921 -6.651 1.00 97.56 C +ATOM 7729 NE2 GLN A 986 -23.638 12.506 -6.005 1.00 97.56 N +ATOM 7730 OE1 GLN A 986 -21.932 13.835 -6.171 1.00 97.56 O +ATOM 7731 N CYS A 987 -18.105 13.095 -10.050 1.00 98.06 N +ATOM 7732 CA CYS A 987 -17.008 13.804 -10.717 1.00 98.06 C +ATOM 7733 C CYS A 987 -16.674 13.237 -12.110 1.00 98.06 C +ATOM 7734 CB CYS A 987 -15.771 13.765 -9.810 1.00 98.06 C +ATOM 7735 O CYS A 987 -16.254 13.987 -12.990 1.00 98.06 O +ATOM 7736 SG CYS A 987 -16.060 14.769 -8.325 1.00 98.06 S +ATOM 7737 N TRP A 988 -16.890 11.938 -12.348 1.00 97.62 N +ATOM 7738 CA TRP A 988 -16.629 11.292 -13.643 1.00 97.62 C +ATOM 7739 C TRP A 988 -17.860 11.120 -14.551 1.00 97.62 C +ATOM 7740 CB TRP A 988 -15.879 9.975 -13.448 1.00 97.62 C +ATOM 7741 O TRP A 988 -17.836 10.297 -15.481 1.00 97.62 O +ATOM 7742 CG TRP A 988 -14.613 10.010 -12.658 1.00 97.62 C +ATOM 7743 CD1 TRP A 988 -13.654 10.961 -12.726 1.00 97.62 C +ATOM 7744 CD2 TRP A 988 -14.130 9.017 -11.706 1.00 97.62 C +ATOM 7745 CE2 TRP A 988 -12.853 9.435 -11.229 1.00 97.62 C +ATOM 7746 CE3 TRP A 988 -14.643 7.799 -11.209 1.00 97.62 C +ATOM 7747 NE1 TRP A 988 -12.617 10.633 -11.878 1.00 97.62 N +ATOM 7748 CH2 TRP A 988 -12.677 7.478 -9.807 1.00 97.62 C +ATOM 7749 CZ2 TRP A 988 -12.131 8.676 -10.297 1.00 97.62 C +ATOM 7750 CZ3 TRP A 988 -13.925 7.033 -10.272 1.00 97.62 C +ATOM 7751 N LYS A 989 -18.947 11.876 -14.335 1.00 96.38 N +ATOM 7752 CA LYS A 989 -20.083 11.875 -15.275 1.00 96.38 C +ATOM 7753 C LYS A 989 -19.630 12.268 -16.685 1.00 96.38 C +ATOM 7754 CB LYS A 989 -21.241 12.760 -14.776 1.00 96.38 C +ATOM 7755 O LYS A 989 -18.743 13.099 -16.873 1.00 96.38 O +ATOM 7756 CG LYS A 989 -21.993 12.156 -13.577 1.00 96.38 C +ATOM 7757 CD LYS A 989 -22.799 10.889 -13.912 1.00 96.38 C +ATOM 7758 CE LYS A 989 -23.454 10.349 -12.634 1.00 96.38 C +ATOM 7759 NZ LYS A 989 -24.126 9.041 -12.859 1.00 96.38 N +ATOM 7760 N GLN A 990 -20.224 11.606 -17.677 1.00 92.94 N +ATOM 7761 CA GLN A 990 -19.858 11.748 -19.086 1.00 92.94 C +ATOM 7762 C GLN A 990 -20.042 13.193 -19.571 1.00 92.94 C +ATOM 7763 CB GLN A 990 -20.702 10.741 -19.892 1.00 92.94 C +ATOM 7764 O GLN A 990 -19.102 13.800 -20.074 1.00 92.94 O +ATOM 7765 CG GLN A 990 -20.401 10.749 -21.395 1.00 92.94 C +ATOM 7766 CD GLN A 990 -18.937 10.465 -21.704 1.00 92.94 C +ATOM 7767 NE2 GLN A 990 -18.418 11.060 -22.756 1.00 92.94 N +ATOM 7768 OE1 GLN A 990 -18.241 9.747 -20.994 1.00 92.94 O +ATOM 7769 N GLU A 991 -21.235 13.738 -19.352 1.00 92.69 N +ATOM 7770 CA GLU A 991 -21.605 15.130 -19.616 1.00 92.69 C +ATOM 7771 C GLU A 991 -21.018 16.054 -18.522 1.00 92.69 C +ATOM 7772 CB GLU A 991 -23.138 15.190 -19.661 1.00 92.69 C +ATOM 7773 O GLU A 991 -21.279 15.809 -17.337 1.00 92.69 O +ATOM 7774 CG GLU A 991 -23.706 14.532 -20.931 1.00 92.69 C +ATOM 7775 CD GLU A 991 -25.132 14.039 -20.685 1.00 92.69 C +ATOM 7776 OE1 GLU A 991 -25.294 12.867 -20.265 1.00 92.69 O +ATOM 7777 OE2 GLU A 991 -26.105 14.813 -20.780 1.00 92.69 O +ATOM 7778 N PRO A 992 -20.209 17.081 -18.865 1.00 94.12 N +ATOM 7779 CA PRO A 992 -19.546 17.943 -17.877 1.00 94.12 C +ATOM 7780 C PRO A 992 -20.500 18.727 -16.967 1.00 94.12 C +ATOM 7781 CB PRO A 992 -18.653 18.892 -18.686 1.00 94.12 C +ATOM 7782 O PRO A 992 -20.184 18.962 -15.802 1.00 94.12 O +ATOM 7783 CG PRO A 992 -18.384 18.126 -19.977 1.00 94.12 C +ATOM 7784 CD PRO A 992 -19.693 17.374 -20.196 1.00 94.12 C +ATOM 7785 N ASP A 993 -21.672 19.100 -17.473 1.00 94.19 N +ATOM 7786 CA ASP A 993 -22.759 19.787 -16.761 1.00 94.19 C +ATOM 7787 C ASP A 993 -23.458 18.911 -15.705 1.00 94.19 C +ATOM 7788 CB ASP A 993 -23.770 20.291 -17.806 1.00 94.19 C +ATOM 7789 O ASP A 993 -24.057 19.437 -14.770 1.00 94.19 O +ATOM 7790 CG ASP A 993 -24.276 19.156 -18.703 1.00 94.19 C +ATOM 7791 OD1 ASP A 993 -23.448 18.679 -19.516 1.00 94.19 O +ATOM 7792 OD2 ASP A 993 -25.436 18.730 -18.521 1.00 94.19 O +ATOM 7793 N LYS A 994 -23.323 17.579 -15.792 1.00 96.25 N +ATOM 7794 CA LYS A 994 -23.822 16.629 -14.778 1.00 96.25 C +ATOM 7795 C LYS A 994 -22.824 16.360 -13.647 1.00 96.25 C +ATOM 7796 CB LYS A 994 -24.285 15.326 -15.450 1.00 96.25 C +ATOM 7797 O LYS A 994 -23.126 15.567 -12.754 1.00 96.25 O +ATOM 7798 CG LYS A 994 -25.486 15.576 -16.368 1.00 96.25 C +ATOM 7799 CD LYS A 994 -26.036 14.276 -16.962 1.00 96.25 C +ATOM 7800 CE LYS A 994 -27.156 14.670 -17.926 1.00 96.25 C +ATOM 7801 NZ LYS A 994 -27.511 13.576 -18.857 1.00 96.25 N +ATOM 7802 N ARG A 995 -21.633 16.969 -13.686 1.00 97.81 N +ATOM 7803 CA ARG A 995 -20.625 16.887 -12.616 1.00 97.81 C +ATOM 7804 C ARG A 995 -20.884 17.995 -11.582 1.00 97.81 C +ATOM 7805 CB ARG A 995 -19.201 16.995 -13.186 1.00 97.81 C +ATOM 7806 O ARG A 995 -21.228 19.108 -11.979 1.00 97.81 O +ATOM 7807 CG ARG A 995 -18.891 15.965 -14.280 1.00 97.81 C +ATOM 7808 CD ARG A 995 -17.537 16.267 -14.922 1.00 97.81 C +ATOM 7809 NE ARG A 995 -17.357 15.466 -16.143 1.00 97.81 N +ATOM 7810 NH1 ARG A 995 -15.686 16.709 -17.079 1.00 97.81 N +ATOM 7811 NH2 ARG A 995 -16.688 15.129 -18.281 1.00 97.81 N +ATOM 7812 CZ ARG A 995 -16.575 15.768 -17.157 1.00 97.81 C +ATOM 7813 N PRO A 996 -20.705 17.738 -10.276 1.00 97.75 N +ATOM 7814 CA PRO A 996 -20.901 18.749 -9.240 1.00 97.75 C +ATOM 7815 C PRO A 996 -19.859 19.867 -9.359 1.00 97.75 C +ATOM 7816 CB PRO A 996 -20.791 17.993 -7.911 1.00 97.75 C +ATOM 7817 O PRO A 996 -18.752 19.646 -9.846 1.00 97.75 O +ATOM 7818 CG PRO A 996 -19.858 16.828 -8.246 1.00 97.75 C +ATOM 7819 CD PRO A 996 -20.227 16.498 -9.692 1.00 97.75 C +ATOM 7820 N VAL A 997 -20.187 21.067 -8.882 1.00 97.75 N +ATOM 7821 CA VAL A 997 -19.212 22.162 -8.761 1.00 97.75 C +ATOM 7822 C VAL A 997 -18.433 22.046 -7.450 1.00 97.75 C +ATOM 7823 CB VAL A 997 -19.872 23.547 -8.904 1.00 97.75 C +ATOM 7824 O VAL A 997 -18.942 21.515 -6.462 1.00 97.75 O +ATOM 7825 CG1 VAL A 997 -20.454 23.729 -10.309 1.00 97.75 C +ATOM 7826 CG2 VAL A 997 -20.972 23.811 -7.868 1.00 97.75 C +ATOM 7827 N PHE A 998 -17.216 22.596 -7.394 1.00 98.00 N +ATOM 7828 CA PHE A 998 -16.369 22.527 -6.193 1.00 98.00 C +ATOM 7829 C PHE A 998 -17.039 23.062 -4.914 1.00 98.00 C +ATOM 7830 CB PHE A 998 -15.038 23.244 -6.453 1.00 98.00 C +ATOM 7831 O PHE A 998 -16.777 22.539 -3.835 1.00 98.00 O +ATOM 7832 CG PHE A 998 -14.089 22.467 -7.341 1.00 98.00 C +ATOM 7833 CD1 PHE A 998 -13.502 21.287 -6.849 1.00 98.00 C +ATOM 7834 CD2 PHE A 998 -13.782 22.911 -8.642 1.00 98.00 C +ATOM 7835 CE1 PHE A 998 -12.625 20.546 -7.656 1.00 98.00 C +ATOM 7836 CE2 PHE A 998 -12.904 22.165 -9.451 1.00 98.00 C +ATOM 7837 CZ PHE A 998 -12.327 20.981 -8.958 1.00 98.00 C +ATOM 7838 N ALA A 999 -17.953 24.032 -5.025 1.00 96.81 N +ATOM 7839 CA ALA A 999 -18.722 24.543 -3.888 1.00 96.81 C +ATOM 7840 C ALA A 999 -19.673 23.506 -3.258 1.00 96.81 C +ATOM 7841 CB ALA A 999 -19.492 25.785 -4.352 1.00 96.81 C +ATOM 7842 O ALA A 999 -19.956 23.589 -2.065 1.00 96.81 O +ATOM 7843 N ASP A1000 -20.161 22.529 -4.026 1.00 97.25 N +ATOM 7844 CA ASP A1000 -21.004 21.446 -3.507 1.00 97.25 C +ATOM 7845 C ASP A1000 -20.152 20.261 -3.039 1.00 97.25 C +ATOM 7846 CB ASP A1000 -22.063 21.064 -4.548 1.00 97.25 C +ATOM 7847 O ASP A1000 -20.393 19.731 -1.956 1.00 97.25 O +ATOM 7848 CG ASP A1000 -23.029 22.225 -4.824 1.00 97.25 C +ATOM 7849 OD1 ASP A1000 -23.355 22.979 -3.864 1.00 97.25 O +ATOM 7850 OD2 ASP A1000 -23.419 22.377 -6.000 1.00 97.25 O +ATOM 7851 N ILE A1001 -19.067 19.953 -3.762 1.00 97.94 N +ATOM 7852 CA ILE A1001 -18.037 18.987 -3.339 1.00 97.94 C +ATOM 7853 C ILE A1001 -17.498 19.336 -1.939 1.00 97.94 C +ATOM 7854 CB ILE A1001 -16.897 18.941 -4.387 1.00 97.94 C +ATOM 7855 O ILE A1001 -17.406 18.460 -1.080 1.00 97.94 O +ATOM 7856 CG1 ILE A1001 -17.413 18.469 -5.768 1.00 97.94 C +ATOM 7857 CG2 ILE A1001 -15.733 18.049 -3.930 1.00 97.94 C +ATOM 7858 CD1 ILE A1001 -16.364 18.495 -6.889 1.00 97.94 C +ATOM 7859 N SER A1002 -17.192 20.614 -1.676 1.00 96.19 N +ATOM 7860 CA SER A1002 -16.735 21.081 -0.358 1.00 96.19 C +ATOM 7861 C SER A1002 -17.761 20.825 0.750 1.00 96.19 C +ATOM 7862 CB SER A1002 -16.397 22.577 -0.408 1.00 96.19 C +ATOM 7863 O SER A1002 -17.379 20.360 1.821 1.00 96.19 O +ATOM 7864 OG SER A1002 -15.265 22.808 -1.230 1.00 96.19 O +ATOM 7865 N LYS A1003 -19.057 21.063 0.498 1.00 94.75 N +ATOM 7866 CA LYS A1003 -20.134 20.793 1.473 1.00 94.75 C +ATOM 7867 C LYS A1003 -20.315 19.298 1.717 1.00 94.75 C +ATOM 7868 CB LYS A1003 -21.472 21.353 0.973 1.00 94.75 C +ATOM 7869 O LYS A1003 -20.599 18.890 2.838 1.00 94.75 O +ATOM 7870 CG LYS A1003 -21.514 22.879 0.816 1.00 94.75 C +ATOM 7871 CD LYS A1003 -22.739 23.256 -0.030 1.00 94.75 C +ATOM 7872 CE LYS A1003 -22.611 24.664 -0.612 1.00 94.75 C +ATOM 7873 NZ LYS A1003 -23.453 24.797 -1.829 1.00 94.75 N +ATOM 7874 N ASP A1004 -20.193 18.474 0.680 1.00 94.69 N +ATOM 7875 CA ASP A1004 -20.376 17.027 0.805 1.00 94.69 C +ATOM 7876 C ASP A1004 -19.211 16.371 1.552 1.00 94.69 C +ATOM 7877 CB ASP A1004 -20.651 16.410 -0.577 1.00 94.69 C +ATOM 7878 O ASP A1004 -19.442 15.539 2.429 1.00 94.69 O +ATOM 7879 CG ASP A1004 -22.075 16.699 -1.084 1.00 94.69 C +ATOM 7880 OD1 ASP A1004 -22.918 17.185 -0.285 1.00 94.69 O +ATOM 7881 OD2 ASP A1004 -22.355 16.372 -2.253 1.00 94.69 O +ATOM 7882 N LEU A1005 -17.975 16.816 1.312 1.00 94.44 N +ATOM 7883 CA LEU A1005 -16.812 16.397 2.100 1.00 94.44 C +ATOM 7884 C LEU A1005 -16.887 16.889 3.556 1.00 94.44 C +ATOM 7885 CB LEU A1005 -15.533 16.881 1.398 1.00 94.44 C +ATOM 7886 O LEU A1005 -16.550 16.135 4.466 1.00 94.44 O +ATOM 7887 CG LEU A1005 -15.246 16.142 0.078 1.00 94.44 C +ATOM 7888 CD1 LEU A1005 -14.145 16.862 -0.692 1.00 94.44 C +ATOM 7889 CD2 LEU A1005 -14.770 14.708 0.322 1.00 94.44 C +ATOM 7890 N GLU A1006 -17.395 18.101 3.801 1.00 91.94 N +ATOM 7891 CA GLU A1006 -17.632 18.618 5.157 1.00 91.94 C +ATOM 7892 C GLU A1006 -18.631 17.747 5.937 1.00 91.94 C +ATOM 7893 CB GLU A1006 -18.115 20.071 5.060 1.00 91.94 C +ATOM 7894 O GLU A1006 -18.346 17.337 7.064 1.00 91.94 O +ATOM 7895 CG GLU A1006 -18.178 20.790 6.412 1.00 91.94 C +ATOM 7896 CD GLU A1006 -18.346 22.305 6.219 1.00 91.94 C +ATOM 7897 OE1 GLU A1006 -17.653 23.058 6.940 1.00 91.94 O +ATOM 7898 OE2 GLU A1006 -19.121 22.701 5.317 1.00 91.94 O +ATOM 7899 N LYS A1007 -19.757 17.359 5.316 1.00 90.12 N +ATOM 7900 CA LYS A1007 -20.724 16.413 5.910 1.00 90.12 C +ATOM 7901 C LYS A1007 -20.068 15.074 6.267 1.00 90.12 C +ATOM 7902 CB LYS A1007 -21.893 16.159 4.946 1.00 90.12 C +ATOM 7903 O LYS A1007 -20.333 14.543 7.343 1.00 90.12 O +ATOM 7904 CG LYS A1007 -22.802 17.375 4.702 1.00 90.12 C +ATOM 7905 CD LYS A1007 -23.649 17.136 3.442 1.00 90.12 C +ATOM 7906 CE LYS A1007 -24.155 18.449 2.841 1.00 90.12 C +ATOM 7907 NZ LYS A1007 -24.639 18.231 1.455 1.00 90.12 N +ATOM 7908 N MET A1008 -19.196 14.542 5.401 1.00 89.44 N +ATOM 7909 CA MET A1008 -18.453 13.300 5.673 1.00 89.44 C +ATOM 7910 C MET A1008 -17.460 13.444 6.843 1.00 89.44 C +ATOM 7911 CB MET A1008 -17.699 12.824 4.419 1.00 89.44 C +ATOM 7912 O MET A1008 -17.192 12.460 7.534 1.00 89.44 O +ATOM 7913 CG MET A1008 -18.600 12.388 3.261 1.00 89.44 C +ATOM 7914 SD MET A1008 -17.658 11.858 1.798 1.00 89.44 S +ATOM 7915 CE MET A1008 -18.824 12.325 0.491 1.00 89.44 C +ATOM 7916 N MET A1009 -16.919 14.646 7.091 1.00 80.00 N +ATOM 7917 CA MET A1009 -16.068 14.914 8.260 1.00 80.00 C +ATOM 7918 C MET A1009 -16.863 14.968 9.566 1.00 80.00 C +ATOM 7919 CB MET A1009 -15.285 16.227 8.109 1.00 80.00 C +ATOM 7920 O MET A1009 -16.376 14.450 10.569 1.00 80.00 O +ATOM 7921 CG MET A1009 -14.218 16.150 7.019 1.00 80.00 C +ATOM 7922 SD MET A1009 -13.220 17.647 6.786 1.00 80.00 S +ATOM 7923 CE MET A1009 -12.406 17.791 8.397 1.00 80.00 C +ATOM 7924 N VAL A1010 -18.057 15.576 9.561 1.00 72.75 N +ATOM 7925 CA VAL A1010 -18.922 15.664 10.753 1.00 72.75 C +ATOM 7926 C VAL A1010 -19.324 14.261 11.213 1.00 72.75 C +ATOM 7927 CB VAL A1010 -20.138 16.582 10.513 1.00 72.75 C +ATOM 7928 O VAL A1010 -18.929 13.864 12.305 1.00 72.75 O +ATOM 7929 CG1 VAL A1010 -21.085 16.621 11.717 1.00 72.75 C +ATOM 7930 CG2 VAL A1010 -19.684 18.027 10.253 1.00 72.75 C +ATOM 7931 N LYS A1011 -19.924 13.453 10.324 1.00 63.25 N +ATOM 7932 CA LYS A1011 -20.351 12.070 10.625 1.00 63.25 C +ATOM 7933 C LYS A1011 -19.261 11.176 11.235 1.00 63.25 C +ATOM 7934 CB LYS A1011 -20.840 11.382 9.345 1.00 63.25 C +ATOM 7935 O LYS A1011 -19.556 10.251 11.972 1.00 63.25 O +ATOM 7936 CG LYS A1011 -22.153 11.930 8.772 1.00 63.25 C +ATOM 7937 CD LYS A1011 -22.518 11.062 7.562 1.00 63.25 C +ATOM 7938 CE LYS A1011 -23.825 11.505 6.913 1.00 63.25 C +ATOM 7939 NZ LYS A1011 -24.264 10.483 5.937 1.00 63.25 N +ATOM 7940 N ARG A1012 -17.980 11.397 10.910 1.00 53.19 N +ATOM 7941 CA ARG A1012 -16.876 10.599 11.481 1.00 53.19 C +ATOM 7942 C ARG A1012 -16.347 11.116 12.814 1.00 53.19 C +ATOM 7943 CB ARG A1012 -15.736 10.420 10.472 1.00 53.19 C +ATOM 7944 O ARG A1012 -15.671 10.352 13.500 1.00 53.19 O +ATOM 7945 CG ARG A1012 -15.977 9.201 9.575 1.00 53.19 C +ATOM 7946 CD ARG A1012 -14.686 8.877 8.815 1.00 53.19 C +ATOM 7947 NE ARG A1012 -14.842 7.698 7.939 1.00 53.19 N +ATOM 7948 NH1 ARG A1012 -13.731 6.141 9.224 1.00 53.19 N +ATOM 7949 NH2 ARG A1012 -14.566 5.548 7.249 1.00 53.19 N +ATOM 7950 CZ ARG A1012 -14.382 6.476 8.145 1.00 53.19 C +ATOM 7951 N ARG A1013 -16.603 12.375 13.181 1.00 47.44 N +ATOM 7952 CA ARG A1013 -16.278 12.869 14.528 1.00 47.44 C +ATOM 7953 C ARG A1013 -17.209 12.254 15.563 1.00 47.44 C +ATOM 7954 CB ARG A1013 -16.299 14.399 14.571 1.00 47.44 C +ATOM 7955 O ARG A1013 -16.712 11.847 16.606 1.00 47.44 O +ATOM 7956 CG ARG A1013 -15.030 14.932 13.899 1.00 47.44 C +ATOM 7957 CD ARG A1013 -14.994 16.457 13.943 1.00 47.44 C +ATOM 7958 NE ARG A1013 -13.694 16.958 13.458 1.00 47.44 N +ATOM 7959 NH1 ARG A1013 -14.240 19.179 13.441 1.00 47.44 N +ATOM 7960 NH2 ARG A1013 -12.186 18.540 12.831 1.00 47.44 N +ATOM 7961 CZ ARG A1013 -13.380 18.219 13.246 1.00 47.44 C +ATOM 7962 N ASP A1014 -18.463 12.041 15.178 1.00 41.50 N +ATOM 7963 CA ASP A1014 -19.512 11.432 16.002 1.00 41.50 C +ATOM 7964 C ASP A1014 -19.293 9.915 16.258 1.00 41.50 C +ATOM 7965 CB ASP A1014 -20.883 11.772 15.379 1.00 41.50 C +ATOM 7966 O ASP A1014 -20.032 9.276 17.004 1.00 41.50 O +ATOM 7967 CG ASP A1014 -21.083 13.282 15.117 1.00 41.50 C +ATOM 7968 OD1 ASP A1014 -20.521 14.109 15.874 1.00 41.50 O +ATOM 7969 OD2 ASP A1014 -21.743 13.625 14.106 1.00 41.50 O +ATOM 7970 N TYR A1015 -18.217 9.315 15.719 1.00 39.44 N +ATOM 7971 CA TYR A1015 -17.864 7.893 15.882 1.00 39.44 C +ATOM 7972 C TYR A1015 -16.514 7.631 16.577 1.00 39.44 C +ATOM 7973 CB TYR A1015 -17.983 7.151 14.536 1.00 39.44 C +ATOM 7974 O TYR A1015 -16.060 6.486 16.614 1.00 39.44 O +ATOM 7975 CG TYR A1015 -18.983 6.006 14.569 1.00 39.44 C +ATOM 7976 CD1 TYR A1015 -18.729 4.837 15.320 1.00 39.44 C +ATOM 7977 CD2 TYR A1015 -20.194 6.131 13.867 1.00 39.44 C +ATOM 7978 CE1 TYR A1015 -19.698 3.812 15.387 1.00 39.44 C +ATOM 7979 CE2 TYR A1015 -21.147 5.097 13.907 1.00 39.44 C +ATOM 7980 OH TYR A1015 -21.864 2.975 14.736 1.00 39.44 O +ATOM 7981 CZ TYR A1015 -20.915 3.946 14.682 1.00 39.44 C +ATOM 7982 N LEU A1016 -15.848 8.646 17.149 1.00 35.06 N +ATOM 7983 CA LEU A1016 -14.589 8.409 17.870 1.00 35.06 C +ATOM 7984 C LEU A1016 -14.848 7.632 19.171 1.00 35.06 C +ATOM 7985 CB LEU A1016 -13.830 9.727 18.126 1.00 35.06 C +ATOM 7986 O LEU A1016 -15.760 7.975 19.926 1.00 35.06 O +ATOM 7987 CG LEU A1016 -12.309 9.544 17.953 1.00 35.06 C +ATOM 7988 CD1 LEU A1016 -11.920 9.624 16.472 1.00 35.06 C +ATOM 7989 CD2 LEU A1016 -11.526 10.620 18.703 1.00 35.06 C +ATOM 7990 N ASP A1017 -14.052 6.594 19.436 1.00 36.75 N +ATOM 7991 CA ASP A1017 -14.220 5.739 20.610 1.00 36.75 C +ATOM 7992 C ASP A1017 -13.080 5.949 21.615 1.00 36.75 C +ATOM 7993 CB ASP A1017 -14.394 4.271 20.172 1.00 36.75 C +ATOM 7994 O ASP A1017 -11.952 5.503 21.402 1.00 36.75 O +ATOM 7995 CG ASP A1017 -15.147 3.440 21.213 1.00 36.75 C +ATOM 7996 OD1 ASP A1017 -15.834 4.066 22.062 1.00 36.75 O +ATOM 7997 OD2 ASP A1017 -15.123 2.203 21.104 1.00 36.75 O +ATOM 7998 N LEU A1018 -13.366 6.651 22.720 1.00 42.47 N +ATOM 7999 CA LEU A1018 -12.357 7.050 23.718 1.00 42.47 C +ATOM 8000 C LEU A1018 -11.685 5.865 24.448 1.00 42.47 C +ATOM 8001 CB LEU A1018 -12.958 8.054 24.728 1.00 42.47 C +ATOM 8002 O LEU A1018 -10.693 6.069 25.151 1.00 42.47 O +ATOM 8003 CG LEU A1018 -12.893 9.529 24.281 1.00 42.47 C +ATOM 8004 CD1 LEU A1018 -14.023 9.904 23.320 1.00 42.47 C +ATOM 8005 CD2 LEU A1018 -12.988 10.447 25.503 1.00 42.47 C +ATOM 8006 N ALA A1019 -12.174 4.636 24.259 1.00 39.53 N +ATOM 8007 CA ALA A1019 -11.534 3.416 24.749 1.00 39.53 C +ATOM 8008 C ALA A1019 -10.217 3.076 24.016 1.00 39.53 C +ATOM 8009 CB ALA A1019 -12.553 2.276 24.641 1.00 39.53 C +ATOM 8010 O ALA A1019 -9.367 2.402 24.586 1.00 39.53 O +ATOM 8011 N ALA A1020 -9.995 3.583 22.796 1.00 42.25 N +ATOM 8012 CA ALA A1020 -8.768 3.334 22.026 1.00 42.25 C +ATOM 8013 C ALA A1020 -7.582 4.253 22.407 1.00 42.25 C +ATOM 8014 CB ALA A1020 -9.120 3.410 20.534 1.00 42.25 C +ATOM 8015 O ALA A1020 -6.552 4.247 21.735 1.00 42.25 O +ATOM 8016 N SER A1021 -7.725 5.067 23.462 1.00 35.44 N +ATOM 8017 CA SER A1021 -6.754 6.100 23.871 1.00 35.44 C +ATOM 8018 C SER A1021 -5.955 5.777 25.145 1.00 35.44 C +ATOM 8019 CB SER A1021 -7.375 7.515 23.905 1.00 35.44 C +ATOM 8020 O SER A1021 -5.263 6.652 25.665 1.00 35.44 O +ATOM 8021 OG SER A1021 -8.789 7.555 23.796 1.00 35.44 O +ATOM 8022 N THR A1022 -6.007 4.542 25.654 1.00 36.81 N +ATOM 8023 CA THR A1022 -5.112 4.082 26.731 1.00 36.81 C +ATOM 8024 C THR A1022 -3.885 3.361 26.154 1.00 36.81 C +ATOM 8025 CB THR A1022 -5.828 3.171 27.739 1.00 36.81 C +ATOM 8026 O THR A1022 -4.050 2.342 25.483 1.00 36.81 O +ATOM 8027 CG2 THR A1022 -6.846 3.953 28.570 1.00 36.81 C +ATOM 8028 OG1 THR A1022 -6.529 2.139 27.096 1.00 36.81 O +ATOM 8029 N PRO A1023 -2.648 3.830 26.412 1.00 31.92 N +ATOM 8030 CA PRO A1023 -1.440 3.100 26.034 1.00 31.92 C +ATOM 8031 C PRO A1023 -1.252 1.903 26.978 1.00 31.92 C +ATOM 8032 CB PRO A1023 -0.310 4.133 26.116 1.00 31.92 C +ATOM 8033 O PRO A1023 -0.701 2.046 28.068 1.00 31.92 O +ATOM 8034 CG PRO A1023 -0.777 5.092 27.211 1.00 31.92 C +ATOM 8035 CD PRO A1023 -2.300 5.084 27.069 1.00 31.92 C +ATOM 8036 N SER A1024 -1.760 0.735 26.577 1.00 37.12 N +ATOM 8037 CA SER A1024 -1.825 -0.460 27.439 1.00 37.12 C +ATOM 8038 C SER A1024 -0.949 -1.634 26.985 1.00 37.12 C +ATOM 8039 CB SER A1024 -3.286 -0.888 27.611 1.00 37.12 C +ATOM 8040 O SER A1024 -0.555 -2.432 27.827 1.00 37.12 O +ATOM 8041 OG SER A1024 -4.013 0.162 28.236 1.00 37.12 O +ATOM 8042 N ASP A1025 -0.544 -1.699 25.712 1.00 35.62 N +ATOM 8043 CA ASP A1025 0.244 -2.820 25.158 1.00 35.62 C +ATOM 8044 C ASP A1025 1.774 -2.613 25.242 1.00 35.62 C +ATOM 8045 CB ASP A1025 -0.244 -3.158 23.736 1.00 35.62 C +ATOM 8046 O ASP A1025 2.544 -3.156 24.449 1.00 35.62 O +ATOM 8047 CG ASP A1025 -1.651 -3.764 23.697 1.00 35.62 C +ATOM 8048 OD1 ASP A1025 -2.104 -4.290 24.738 1.00 35.62 O +ATOM 8049 OD2 ASP A1025 -2.263 -3.688 22.610 1.00 35.62 O +ATOM 8050 N SER A1026 2.246 -1.811 26.203 1.00 33.91 N +ATOM 8051 CA SER A1026 3.669 -1.477 26.373 1.00 33.91 C +ATOM 8052 C SER A1026 4.246 -1.880 27.735 1.00 33.91 C +ATOM 8053 CB SER A1026 3.939 -0.011 26.010 1.00 33.91 C +ATOM 8054 O SER A1026 5.015 -1.119 28.322 1.00 33.91 O +ATOM 8055 OG SER A1026 3.430 0.866 26.992 1.00 33.91 O +ATOM 8056 N LEU A1027 3.902 -3.071 28.234 1.00 36.31 N +ATOM 8057 CA LEU A1027 4.606 -3.735 29.341 1.00 36.31 C +ATOM 8058 C LEU A1027 4.790 -5.235 29.063 1.00 36.31 C +ATOM 8059 CB LEU A1027 3.924 -3.461 30.700 1.00 36.31 C +ATOM 8060 O LEU A1027 4.173 -6.092 29.688 1.00 36.31 O +ATOM 8061 CG LEU A1027 4.154 -2.057 31.293 1.00 36.31 C +ATOM 8062 CD1 LEU A1027 3.427 -1.951 32.634 1.00 36.31 C +ATOM 8063 CD2 LEU A1027 5.633 -1.746 31.560 1.00 36.31 C +ATOM 8064 N ILE A1028 5.709 -5.546 28.145 1.00 34.19 N +ATOM 8065 CA ILE A1028 6.418 -6.827 28.187 1.00 34.19 C +ATOM 8066 C ILE A1028 7.469 -6.697 29.291 1.00 34.19 C +ATOM 8067 CB ILE A1028 7.057 -7.181 26.821 1.00 34.19 C +ATOM 8068 O ILE A1028 8.500 -6.057 29.082 1.00 34.19 O +ATOM 8069 CG1 ILE A1028 5.967 -7.346 25.737 1.00 34.19 C +ATOM 8070 CG2 ILE A1028 7.906 -8.466 26.931 1.00 34.19 C +ATOM 8071 CD1 ILE A1028 6.519 -7.506 24.314 1.00 34.19 C +ATOM 8072 N TYR A1029 7.206 -7.301 30.447 1.00 38.91 N +ATOM 8073 CA TYR A1029 8.264 -7.743 31.348 1.00 38.91 C +ATOM 8074 C TYR A1029 8.044 -9.212 31.691 1.00 38.91 C +ATOM 8075 CB TYR A1029 8.439 -6.831 32.571 1.00 38.91 C +ATOM 8076 O TYR A1029 7.023 -9.604 32.248 1.00 38.91 O +ATOM 8077 CG TYR A1029 9.646 -5.925 32.405 1.00 38.91 C +ATOM 8078 CD1 TYR A1029 10.932 -6.423 32.694 1.00 38.91 C +ATOM 8079 CD2 TYR A1029 9.497 -4.630 31.872 1.00 38.91 C +ATOM 8080 CE1 TYR A1029 12.070 -5.629 32.450 1.00 38.91 C +ATOM 8081 CE2 TYR A1029 10.631 -3.829 31.631 1.00 38.91 C +ATOM 8082 OH TYR A1029 13.018 -3.569 31.670 1.00 38.91 O +ATOM 8083 CZ TYR A1029 11.918 -4.331 31.915 1.00 38.91 C +ATOM 8084 N ASP A1030 9.022 -9.990 31.251 1.00 33.78 N +ATOM 8085 CA ASP A1030 9.242 -11.394 31.547 1.00 33.78 C +ATOM 8086 C ASP A1030 9.672 -11.531 33.015 1.00 33.78 C +ATOM 8087 CB ASP A1030 10.358 -11.824 30.572 1.00 33.78 C +ATOM 8088 O ASP A1030 10.563 -10.801 33.442 1.00 33.78 O +ATOM 8089 CG ASP A1030 10.647 -13.321 30.479 1.00 33.78 C +ATOM 8090 OD1 ASP A1030 9.763 -14.121 30.861 1.00 33.78 O +ATOM 8091 OD2 ASP A1030 11.711 -13.646 29.899 1.00 33.78 O +ATOM 8092 N ASP A1031 9.003 -12.403 33.769 1.00 39.50 N +ATOM 8093 CA ASP A1031 9.557 -13.198 34.876 1.00 39.50 C +ATOM 8094 C ASP A1031 8.431 -14.089 35.439 1.00 39.50 C +ATOM 8095 CB ASP A1031 10.210 -12.353 35.996 1.00 39.50 C +ATOM 8096 O ASP A1031 7.341 -13.623 35.775 1.00 39.50 O +ATOM 8097 CG ASP A1031 11.739 -12.191 35.850 1.00 39.50 C +ATOM 8098 OD1 ASP A1031 12.382 -13.084 35.245 1.00 39.50 O +ATOM 8099 OD2 ASP A1031 12.289 -11.240 36.458 1.00 39.50 O +ATOM 8100 N GLY A1032 8.662 -15.404 35.466 1.00 35.84 N +ATOM 8101 CA GLY A1032 7.639 -16.402 35.805 1.00 35.84 C +ATOM 8102 C GLY A1032 7.598 -16.824 37.280 1.00 35.84 C +ATOM 8103 O GLY A1032 8.206 -16.201 38.142 1.00 35.84 O +ATOM 8104 N LEU A1033 6.960 -17.986 37.500 1.00 39.47 N +ATOM 8105 CA LEU A1033 6.833 -18.760 38.753 1.00 39.47 C +ATOM 8106 C LEU A1033 5.611 -18.446 39.649 1.00 39.47 C +ATOM 8107 CB LEU A1033 8.168 -18.858 39.528 1.00 39.47 C +ATOM 8108 O LEU A1033 5.658 -17.620 40.550 1.00 39.47 O +ATOM 8109 CG LEU A1033 9.370 -19.358 38.701 1.00 39.47 C +ATOM 8110 CD1 LEU A1033 10.642 -19.319 39.548 1.00 39.47 C +ATOM 8111 CD2 LEU A1033 9.174 -20.794 38.203 1.00 39.47 C +ATOM 8112 N SER A1034 4.537 -19.201 39.368 1.00 33.91 N +ATOM 8113 CA SER A1034 3.840 -20.148 40.276 1.00 33.91 C +ATOM 8114 C SER A1034 3.435 -19.764 41.710 1.00 33.91 C +ATOM 8115 CB SER A1034 4.652 -21.452 40.370 1.00 33.91 C +ATOM 8116 O SER A1034 4.277 -19.347 42.494 1.00 33.91 O +ATOM 8117 OG SER A1034 5.943 -21.191 40.882 1.00 33.91 O +ATOM 8118 N GLU A1035 2.210 -20.204 42.065 1.00 37.09 N +ATOM 8119 CA GLU A1035 1.717 -20.513 43.429 1.00 37.09 C +ATOM 8120 C GLU A1035 1.540 -19.304 44.379 1.00 37.09 C +ATOM 8121 CB GLU A1035 2.600 -21.632 44.042 1.00 37.09 C +ATOM 8122 O GLU A1035 2.332 -18.376 44.398 1.00 37.09 O +ATOM 8123 CG GLU A1035 2.397 -22.992 43.343 1.00 37.09 C +ATOM 8124 CD GLU A1035 3.545 -23.994 43.575 1.00 37.09 C +ATOM 8125 OE1 GLU A1035 3.816 -24.771 42.626 1.00 37.09 O +ATOM 8126 OE2 GLU A1035 4.165 -23.981 44.663 1.00 37.09 O +ATOM 8127 N GLU A1036 0.557 -19.216 45.273 1.00 35.41 N +ATOM 8128 CA GLU A1036 -0.781 -19.792 45.470 1.00 35.41 C +ATOM 8129 C GLU A1036 -1.373 -19.025 46.688 1.00 35.41 C +ATOM 8130 CB GLU A1036 -0.763 -21.317 45.757 1.00 35.41 C +ATOM 8131 O GLU A1036 -0.637 -18.436 47.472 1.00 35.41 O +ATOM 8132 CG GLU A1036 -1.849 -22.062 44.955 1.00 35.41 C +ATOM 8133 CD GLU A1036 -1.916 -23.584 45.213 1.00 35.41 C +ATOM 8134 OE1 GLU A1036 -2.688 -24.243 44.477 1.00 35.41 O +ATOM 8135 OE2 GLU A1036 -1.209 -24.081 46.117 1.00 35.41 O +ATOM 8136 N GLU A1037 -2.697 -19.026 46.840 1.00 37.31 N +ATOM 8137 CA GLU A1037 -3.464 -18.783 48.083 1.00 37.31 C +ATOM 8138 C GLU A1037 -3.207 -17.585 49.062 1.00 37.31 C +ATOM 8139 CB GLU A1037 -3.569 -20.092 48.879 1.00 37.31 C +ATOM 8140 O GLU A1037 -2.234 -17.494 49.805 1.00 37.31 O +ATOM 8141 CG GLU A1037 -4.189 -21.252 48.085 1.00 37.31 C +ATOM 8142 CD GLU A1037 -4.928 -22.234 49.008 1.00 37.31 C +ATOM 8143 OE1 GLU A1037 -6.069 -22.607 48.647 1.00 37.31 O +ATOM 8144 OE2 GLU A1037 -4.417 -22.524 50.115 1.00 37.31 O +ATOM 8145 N THR A1038 -4.309 -16.836 49.259 1.00 37.50 N +ATOM 8146 CA THR A1038 -4.855 -16.230 50.510 1.00 37.50 C +ATOM 8147 C THR A1038 -4.843 -14.691 50.710 1.00 37.50 C +ATOM 8148 CB THR A1038 -4.525 -16.935 51.841 1.00 37.50 C +ATOM 8149 O THR A1038 -3.820 -14.031 50.549 1.00 37.50 O +ATOM 8150 CG2 THR A1038 -4.909 -18.413 51.896 1.00 37.50 C +ATOM 8151 OG1 THR A1038 -3.178 -16.806 52.201 1.00 37.50 O +ATOM 8152 N PRO A1039 -5.996 -14.088 51.102 1.00 37.00 N +ATOM 8153 CA PRO A1039 -6.133 -12.679 51.514 1.00 37.00 C +ATOM 8154 C PRO A1039 -6.229 -12.506 53.051 1.00 37.00 C +ATOM 8155 CB PRO A1039 -7.458 -12.269 50.862 1.00 37.00 C +ATOM 8156 O PRO A1039 -6.460 -13.499 53.732 1.00 37.00 O +ATOM 8157 CG PRO A1039 -8.331 -13.509 51.079 1.00 37.00 C +ATOM 8158 CD PRO A1039 -7.336 -14.664 50.968 1.00 37.00 C +ATOM 8159 N LEU A1040 -6.158 -11.259 53.578 1.00 33.19 N +ATOM 8160 CA LEU A1040 -6.957 -10.697 54.714 1.00 33.19 C +ATOM 8161 C LEU A1040 -6.428 -9.318 55.243 1.00 33.19 C +ATOM 8162 CB LEU A1040 -7.052 -11.673 55.920 1.00 33.19 C +ATOM 8163 O LEU A1040 -5.304 -9.222 55.714 1.00 33.19 O +ATOM 8164 CG LEU A1040 -8.236 -12.681 55.910 1.00 33.19 C +ATOM 8165 CD1 LEU A1040 -7.911 -13.874 56.809 1.00 33.19 C +ATOM 8166 CD2 LEU A1040 -9.556 -12.090 56.401 1.00 33.19 C +ATOM 8167 N VAL A1041 -7.312 -8.301 55.249 1.00 34.38 N +ATOM 8168 CA VAL A1041 -7.635 -7.330 56.347 1.00 34.38 C +ATOM 8169 C VAL A1041 -6.582 -6.348 56.947 1.00 34.38 C +ATOM 8170 CB VAL A1041 -8.404 -8.086 57.459 1.00 34.38 C +ATOM 8171 O VAL A1041 -5.796 -6.709 57.810 1.00 34.38 O +ATOM 8172 CG1 VAL A1041 -8.874 -7.238 58.648 1.00 34.38 C +ATOM 8173 CG2 VAL A1041 -9.701 -8.684 56.886 1.00 34.38 C +ATOM 8174 N ASP A1042 -6.732 -5.063 56.565 1.00 34.00 N +ATOM 8175 CA ASP A1042 -7.067 -3.834 57.358 1.00 34.00 C +ATOM 8176 C ASP A1042 -6.295 -3.346 58.634 1.00 34.00 C +ATOM 8177 CB ASP A1042 -8.594 -3.846 57.619 1.00 34.00 C +ATOM 8178 O ASP A1042 -5.681 -4.104 59.375 1.00 34.00 O +ATOM 8179 CG ASP A1042 -9.235 -2.467 57.837 1.00 34.00 C +ATOM 8180 OD1 ASP A1042 -8.659 -1.464 57.357 1.00 34.00 O +ATOM 8181 OD2 ASP A1042 -10.266 -2.421 58.538 1.00 34.00 O +ATOM 8182 N CYS A1043 -6.489 -2.037 58.918 1.00 33.25 N +ATOM 8183 CA CYS A1043 -6.460 -1.291 60.199 1.00 33.25 C +ATOM 8184 C CYS A1043 -5.267 -0.353 60.575 1.00 33.25 C +ATOM 8185 CB CYS A1043 -6.939 -2.157 61.382 1.00 33.25 C +ATOM 8186 O CYS A1043 -4.372 -0.721 61.328 1.00 33.25 O +ATOM 8187 SG CYS A1043 -8.750 -2.349 61.405 1.00 33.25 S +ATOM 8188 N ASN A1044 -5.474 0.951 60.294 1.00 37.69 N +ATOM 8189 CA ASN A1044 -5.361 2.108 61.228 1.00 37.69 C +ATOM 8190 C ASN A1044 -4.034 2.876 61.542 1.00 37.69 C +ATOM 8191 CB ASN A1044 -6.133 1.781 62.529 1.00 37.69 C +ATOM 8192 O ASN A1044 -2.984 2.311 61.818 1.00 37.69 O +ATOM 8193 CG ASN A1044 -7.629 1.659 62.321 1.00 37.69 C +ATOM 8194 ND2 ASN A1044 -8.285 0.739 62.984 1.00 37.69 N +ATOM 8195 OD1 ASN A1044 -8.223 2.405 61.566 1.00 37.69 O +ATOM 8196 N ASN A1045 -4.220 4.209 61.709 1.00 37.19 N +ATOM 8197 CA ASN A1045 -3.505 5.185 62.581 1.00 37.19 C +ATOM 8198 C ASN A1045 -2.354 6.112 62.074 1.00 37.19 C +ATOM 8199 CB ASN A1045 -3.239 4.592 63.981 1.00 37.19 C +ATOM 8200 O ASN A1045 -1.231 6.019 62.551 1.00 37.19 O +ATOM 8201 CG ASN A1045 -4.505 4.229 64.730 1.00 37.19 C +ATOM 8202 ND2 ASN A1045 -4.444 3.258 65.609 1.00 37.19 N +ATOM 8203 OD1 ASN A1045 -5.562 4.809 64.547 1.00 37.19 O +ATOM 8204 N ALA A1046 -2.734 7.161 61.318 1.00 31.45 N +ATOM 8205 CA ALA A1046 -2.563 8.604 61.666 1.00 31.45 C +ATOM 8206 C ALA A1046 -1.119 9.242 61.807 1.00 31.45 C +ATOM 8207 CB ALA A1046 -3.570 8.878 62.802 1.00 31.45 C +ATOM 8208 O ALA A1046 -0.130 8.560 61.573 1.00 31.45 O +ATOM 8209 N PRO A1047 -0.940 10.585 61.990 1.00 38.41 N +ATOM 8210 CA PRO A1047 -0.283 11.407 60.947 1.00 38.41 C +ATOM 8211 C PRO A1047 0.809 12.412 61.434 1.00 38.41 C +ATOM 8212 CB PRO A1047 -1.495 12.169 60.375 1.00 38.41 C +ATOM 8213 O PRO A1047 1.114 12.465 62.620 1.00 38.41 O +ATOM 8214 CG PRO A1047 -2.421 12.403 61.580 1.00 38.41 C +ATOM 8215 CD PRO A1047 -1.814 11.530 62.677 1.00 38.41 C +ATOM 8216 N LEU A1048 1.289 13.285 60.513 1.00 27.91 N +ATOM 8217 CA LEU A1048 1.862 14.663 60.662 1.00 27.91 C +ATOM 8218 C LEU A1048 3.253 14.918 59.998 1.00 27.91 C +ATOM 8219 CB LEU A1048 1.716 15.261 62.089 1.00 27.91 C +ATOM 8220 O LEU A1048 3.969 13.962 59.714 1.00 27.91 O +ATOM 8221 CG LEU A1048 0.258 15.588 62.488 1.00 27.91 C +ATOM 8222 CD1 LEU A1048 0.214 16.047 63.944 1.00 27.91 C +ATOM 8223 CD2 LEU A1048 -0.385 16.710 61.657 1.00 27.91 C +ATOM 8224 N PRO A1049 3.596 16.184 59.617 1.00 38.62 N +ATOM 8225 CA PRO A1049 4.304 16.443 58.349 1.00 38.62 C +ATOM 8226 C PRO A1049 5.497 17.440 58.422 1.00 38.62 C +ATOM 8227 CB PRO A1049 3.153 17.039 57.520 1.00 38.62 C +ATOM 8228 O PRO A1049 5.903 17.868 59.501 1.00 38.62 O +ATOM 8229 CG PRO A1049 2.474 17.992 58.508 1.00 38.62 C +ATOM 8230 CD PRO A1049 2.827 17.404 59.873 1.00 38.62 C +ATOM 8231 N ARG A1050 5.913 17.922 57.229 1.00 31.41 N +ATOM 8232 CA ARG A1050 6.835 19.038 56.865 1.00 31.41 C +ATOM 8233 C ARG A1050 8.294 18.637 56.563 1.00 31.41 C +ATOM 8234 CB ARG A1050 6.866 20.186 57.906 1.00 31.41 C +ATOM 8235 O ARG A1050 8.826 17.779 57.246 1.00 31.41 O +ATOM 8236 CG ARG A1050 5.533 20.849 58.289 1.00 31.41 C +ATOM 8237 CD ARG A1050 5.806 21.908 59.370 1.00 31.41 C +ATOM 8238 NE ARG A1050 4.565 22.409 59.995 1.00 31.41 N +ATOM 8239 NH1 ARG A1050 5.553 23.550 61.728 1.00 31.41 N +ATOM 8240 NH2 ARG A1050 3.332 23.436 61.616 1.00 31.41 N +ATOM 8241 CZ ARG A1050 4.489 23.127 61.103 1.00 31.41 C +ATOM 8242 N ALA A1051 9.034 19.299 55.659 1.00 37.84 N +ATOM 8243 CA ALA A1051 8.706 20.098 54.453 1.00 37.84 C +ATOM 8244 C ALA A1051 10.017 20.523 53.718 1.00 37.84 C +ATOM 8245 CB ALA A1051 7.944 21.392 54.814 1.00 37.84 C +ATOM 8246 O ALA A1051 11.066 20.559 54.353 1.00 37.84 O +ATOM 8247 N LEU A1052 9.891 21.012 52.464 1.00 34.66 N +ATOM 8248 CA LEU A1052 10.824 21.907 51.719 1.00 34.66 C +ATOM 8249 C LEU A1052 12.118 21.302 51.080 1.00 34.66 C +ATOM 8250 CB LEU A1052 11.150 23.146 52.600 1.00 34.66 C +ATOM 8251 O LEU A1052 12.626 20.305 51.579 1.00 34.66 O +ATOM 8252 CG LEU A1052 9.982 23.978 53.151 1.00 34.66 C +ATOM 8253 CD1 LEU A1052 10.521 25.188 53.913 1.00 34.66 C +ATOM 8254 CD2 LEU A1052 9.038 24.481 52.058 1.00 34.66 C +ATOM 8255 N PRO A1053 12.744 21.965 50.064 1.00 38.91 N +ATOM 8256 CA PRO A1053 12.126 22.493 48.822 1.00 38.91 C +ATOM 8257 C PRO A1053 13.045 22.460 47.549 1.00 38.91 C +ATOM 8258 CB PRO A1053 11.897 23.968 49.179 1.00 38.91 C +ATOM 8259 O PRO A1053 14.205 22.069 47.614 1.00 38.91 O +ATOM 8260 CG PRO A1053 13.217 24.321 49.876 1.00 38.91 C +ATOM 8261 CD PRO A1053 13.719 22.984 50.454 1.00 38.91 C +ATOM 8262 N SER A1054 12.554 23.079 46.453 1.00 36.34 N +ATOM 8263 CA SER A1054 13.273 23.718 45.307 1.00 36.34 C +ATOM 8264 C SER A1054 13.711 22.853 44.102 1.00 36.34 C +ATOM 8265 CB SER A1054 14.424 24.625 45.801 1.00 36.34 C +ATOM 8266 O SER A1054 14.204 21.753 44.300 1.00 36.34 O +ATOM 8267 OG SER A1054 15.553 23.904 46.238 1.00 36.34 O +ATOM 8268 N THR A1055 13.609 23.273 42.820 1.00 39.88 N +ATOM 8269 CA THR A1055 12.824 24.340 42.113 1.00 39.88 C +ATOM 8270 C THR A1055 12.953 24.176 40.577 1.00 39.88 C +ATOM 8271 CB THR A1055 13.355 25.788 42.309 1.00 39.88 C +ATOM 8272 O THR A1055 14.091 24.060 40.138 1.00 39.88 O +ATOM 8273 CG2 THR A1055 12.635 26.638 43.355 1.00 39.88 C +ATOM 8274 OG1 THR A1055 14.733 25.808 42.577 1.00 39.88 O +ATOM 8275 N TRP A1056 11.854 24.285 39.796 1.00 32.38 N +ATOM 8276 CA TRP A1056 11.659 24.970 38.469 1.00 32.38 C +ATOM 8277 C TRP A1056 10.348 24.456 37.807 1.00 32.38 C +ATOM 8278 CB TRP A1056 12.841 24.851 37.463 1.00 32.38 C +ATOM 8279 O TRP A1056 10.324 23.342 37.303 1.00 32.38 O +ATOM 8280 CG TRP A1056 13.419 26.148 36.950 1.00 32.38 C +ATOM 8281 CD1 TRP A1056 13.493 27.326 37.616 1.00 32.38 C +ATOM 8282 CD2 TRP A1056 14.041 26.404 35.648 1.00 32.38 C +ATOM 8283 CE2 TRP A1056 14.399 27.784 35.572 1.00 32.38 C +ATOM 8284 CE3 TRP A1056 14.352 25.605 34.526 1.00 32.38 C +ATOM 8285 NE1 TRP A1056 14.037 28.297 36.797 1.00 32.38 N +ATOM 8286 CH2 TRP A1056 15.297 27.524 33.340 1.00 32.38 C +ATOM 8287 CZ2 TRP A1056 15.006 28.349 34.440 1.00 32.38 C +ATOM 8288 CZ3 TRP A1056 14.977 26.155 33.389 1.00 32.38 C +ATOM 8289 N ILE A1057 9.177 25.064 38.052 1.00 33.03 N +ATOM 8290 CA ILE A1057 8.534 26.246 37.410 1.00 33.03 C +ATOM 8291 C ILE A1057 7.548 25.893 36.268 1.00 33.03 C +ATOM 8292 CB ILE A1057 9.469 27.453 37.113 1.00 33.03 C +ATOM 8293 O ILE A1057 7.865 25.169 35.333 1.00 33.03 O +ATOM 8294 CG1 ILE A1057 9.708 28.232 38.430 1.00 33.03 C +ATOM 8295 CG2 ILE A1057 8.890 28.417 36.053 1.00 33.03 C +ATOM 8296 CD1 ILE A1057 10.635 29.449 38.308 1.00 33.03 C +ATOM 8297 N GLU A1058 6.339 26.456 36.383 1.00 32.75 N +ATOM 8298 CA GLU A1058 5.129 26.214 35.578 1.00 32.75 C +ATOM 8299 C GLU A1058 4.786 27.399 34.630 1.00 32.75 C +ATOM 8300 CB GLU A1058 3.941 26.049 36.559 1.00 32.75 C +ATOM 8301 O GLU A1058 5.478 28.417 34.617 1.00 32.75 O +ATOM 8302 CG GLU A1058 4.091 25.065 37.731 1.00 32.75 C +ATOM 8303 CD GLU A1058 3.064 25.382 38.832 1.00 32.75 C +ATOM 8304 OE1 GLU A1058 2.296 24.468 39.197 1.00 32.75 O +ATOM 8305 OE2 GLU A1058 3.086 26.544 39.307 1.00 32.75 O +ATOM 8306 N ASN A1059 3.606 27.307 33.985 1.00 28.88 N +ATOM 8307 CA ASN A1059 2.749 28.378 33.422 1.00 28.88 C +ATOM 8308 C ASN A1059 2.906 28.785 31.939 1.00 28.88 C +ATOM 8309 CB ASN A1059 2.714 29.629 34.330 1.00 28.88 C +ATOM 8310 O ASN A1059 3.829 29.508 31.573 1.00 28.88 O +ATOM 8311 CG ASN A1059 2.201 29.324 35.718 1.00 28.88 C +ATOM 8312 ND2 ASN A1059 2.985 29.536 36.748 1.00 28.88 N +ATOM 8313 OD1 ASN A1059 1.080 28.883 35.868 1.00 28.88 O +ATOM 8314 N LYS A1060 1.852 28.530 31.135 1.00 29.98 N +ATOM 8315 CA LYS A1060 0.816 29.551 30.816 1.00 29.98 C +ATOM 8316 C LYS A1060 -0.366 29.018 29.977 1.00 29.98 C +ATOM 8317 CB LYS A1060 1.410 30.765 30.066 1.00 29.98 C +ATOM 8318 O LYS A1060 -0.169 28.494 28.886 1.00 29.98 O +ATOM 8319 CG LYS A1060 1.701 31.930 31.023 1.00 29.98 C +ATOM 8320 CD LYS A1060 2.038 33.203 30.244 1.00 29.98 C +ATOM 8321 CE LYS A1060 2.292 34.345 31.231 1.00 29.98 C +ATOM 8322 NZ LYS A1060 2.382 35.647 30.527 1.00 29.98 N +ATOM 8323 N LEU A1061 -1.593 29.288 30.440 1.00 28.34 N +ATOM 8324 CA LEU A1061 -2.809 29.382 29.613 1.00 28.34 C +ATOM 8325 C LEU A1061 -3.131 30.868 29.291 1.00 28.34 C +ATOM 8326 CB LEU A1061 -4.027 28.753 30.333 1.00 28.34 C +ATOM 8327 O LEU A1061 -2.713 31.746 30.040 1.00 28.34 O +ATOM 8328 CG LEU A1061 -4.133 27.216 30.412 1.00 28.34 C +ATOM 8329 CD1 LEU A1061 -3.461 26.639 31.658 1.00 28.34 C +ATOM 8330 CD2 LEU A1061 -5.611 26.810 30.463 1.00 28.34 C +ATOM 8331 N TYR A1062 -3.956 31.102 28.254 1.00 27.78 N +ATOM 8332 CA TYR A1062 -4.745 32.322 27.926 1.00 27.78 C +ATOM 8333 C TYR A1062 -4.043 33.688 27.629 1.00 27.78 C +ATOM 8334 CB TYR A1062 -5.888 32.490 28.951 1.00 27.78 C +ATOM 8335 O TYR A1062 -3.035 34.054 28.223 1.00 27.78 O +ATOM 8336 CG TYR A1062 -6.995 31.444 28.877 1.00 27.78 C +ATOM 8337 CD1 TYR A1062 -7.915 31.472 27.809 1.00 27.78 C +ATOM 8338 CD2 TYR A1062 -7.141 30.476 29.891 1.00 27.78 C +ATOM 8339 CE1 TYR A1062 -8.956 30.525 27.738 1.00 27.78 C +ATOM 8340 CE2 TYR A1062 -8.169 29.515 29.814 1.00 27.78 C +ATOM 8341 OH TYR A1062 -10.077 28.617 28.679 1.00 27.78 O +ATOM 8342 CZ TYR A1062 -9.080 29.537 28.739 1.00 27.78 C +ATOM 8343 N GLY A1063 -4.673 34.488 26.737 1.00 26.08 N +ATOM 8344 CA GLY A1063 -4.385 35.915 26.412 1.00 26.08 C +ATOM 8345 C GLY A1063 -3.751 36.138 25.019 1.00 26.08 C +ATOM 8346 O GLY A1063 -2.690 35.594 24.751 1.00 26.08 O +ATOM 8347 N MET A1064 -4.408 36.732 24.007 1.00 27.69 N +ATOM 8348 CA MET A1064 -4.816 38.143 23.757 1.00 27.69 C +ATOM 8349 C MET A1064 -3.694 39.151 23.382 1.00 27.69 C +ATOM 8350 CB MET A1064 -5.783 38.760 24.793 1.00 27.69 C +ATOM 8351 O MET A1064 -2.814 39.434 24.185 1.00 27.69 O +ATOM 8352 CG MET A1064 -7.231 38.277 24.637 1.00 27.69 C +ATOM 8353 SD MET A1064 -8.455 39.170 25.645 1.00 27.69 S +ATOM 8354 CE MET A1064 -8.760 40.652 24.639 1.00 27.69 C +ATOM 8355 N SER A1065 -3.888 39.796 22.212 1.00 28.78 N +ATOM 8356 CA SER A1065 -3.412 41.130 21.738 1.00 28.78 C +ATOM 8357 C SER A1065 -1.923 41.435 21.425 1.00 28.78 C +ATOM 8358 CB SER A1065 -4.035 42.277 22.555 1.00 28.78 C +ATOM 8359 O SER A1065 -1.021 41.121 22.191 1.00 28.78 O +ATOM 8360 OG SER A1065 -4.034 42.020 23.944 1.00 28.78 O +ATOM 8361 N ASP A1066 -1.724 42.158 20.304 1.00 33.78 N +ATOM 8362 CA ASP A1066 -0.532 42.941 19.883 1.00 33.78 C +ATOM 8363 C ASP A1066 -0.045 43.936 20.971 1.00 33.78 C +ATOM 8364 CB ASP A1066 -0.956 43.752 18.634 1.00 33.78 C +ATOM 8365 O ASP A1066 -0.890 44.427 21.729 1.00 33.78 O +ATOM 8366 CG ASP A1066 -0.979 42.961 17.328 1.00 33.78 C +ATOM 8367 OD1 ASP A1066 0.070 42.368 16.994 1.00 33.78 O +ATOM 8368 OD2 ASP A1066 -2.029 43.002 16.649 1.00 33.78 O +ATOM 8369 N PRO A1067 1.266 44.302 21.057 1.00 36.69 N +ATOM 8370 CA PRO A1067 1.794 45.428 20.248 1.00 36.69 C +ATOM 8371 C PRO A1067 3.308 45.424 19.870 1.00 36.69 C +ATOM 8372 CB PRO A1067 1.501 46.645 21.132 1.00 36.69 C +ATOM 8373 O PRO A1067 4.117 44.637 20.351 1.00 36.69 O +ATOM 8374 CG PRO A1067 1.801 46.125 22.538 1.00 36.69 C +ATOM 8375 CD PRO A1067 1.763 44.598 22.400 1.00 36.69 C +ATOM 8376 N ASN A1068 3.689 46.390 19.016 1.00 31.64 N +ATOM 8377 CA ASN A1068 5.064 46.745 18.602 1.00 31.64 C +ATOM 8378 C ASN A1068 6.018 47.121 19.764 1.00 31.64 C +ATOM 8379 CB ASN A1068 4.977 48.011 17.712 1.00 31.64 C +ATOM 8380 O ASN A1068 5.588 47.814 20.680 1.00 31.64 O +ATOM 8381 CG ASN A1068 4.397 47.805 16.329 1.00 31.64 C +ATOM 8382 ND2 ASN A1068 3.574 48.715 15.860 1.00 31.64 N +ATOM 8383 OD1 ASN A1068 4.707 46.862 15.629 1.00 31.64 O +ATOM 8384 N TRP A1069 7.325 46.825 19.640 1.00 28.55 N +ATOM 8385 CA TRP A1069 8.450 47.778 19.395 1.00 28.55 C +ATOM 8386 C TRP A1069 9.809 47.009 19.302 1.00 28.55 C +ATOM 8387 CB TRP A1069 8.518 48.946 20.417 1.00 28.55 C +ATOM 8388 O TRP A1069 9.874 45.874 19.773 1.00 28.55 O +ATOM 8389 CG TRP A1069 7.928 50.252 19.926 1.00 28.55 C +ATOM 8390 CD1 TRP A1069 6.633 50.628 20.044 1.00 28.55 C +ATOM 8391 CD2 TRP A1069 8.577 51.373 19.230 1.00 28.55 C +ATOM 8392 CE2 TRP A1069 7.569 52.290 18.802 1.00 28.55 C +ATOM 8393 CE3 TRP A1069 9.909 51.740 18.937 1.00 28.55 C +ATOM 8394 NE1 TRP A1069 6.414 51.812 19.371 1.00 28.55 N +ATOM 8395 CH2 TRP A1069 9.179 53.690 17.658 1.00 28.55 C +ATOM 8396 CZ2 TRP A1069 7.848 53.420 18.017 1.00 28.55 C +ATOM 8397 CZ3 TRP A1069 10.209 52.862 18.140 1.00 28.55 C +ATOM 8398 N PRO A1070 10.882 47.545 18.667 1.00 42.56 N +ATOM 8399 CA PRO A1070 12.133 46.824 18.371 1.00 42.56 C +ATOM 8400 C PRO A1070 13.368 47.297 19.183 1.00 42.56 C +ATOM 8401 CB PRO A1070 12.330 47.087 16.874 1.00 42.56 C +ATOM 8402 O PRO A1070 13.353 48.368 19.784 1.00 42.56 O +ATOM 8403 CG PRO A1070 11.798 48.510 16.673 1.00 42.56 C +ATOM 8404 CD PRO A1070 10.918 48.777 17.895 1.00 42.56 C +ATOM 8405 N GLY A1071 14.469 46.531 19.143 1.00 28.91 N +ATOM 8406 CA GLY A1071 15.779 46.884 19.728 1.00 28.91 C +ATOM 8407 C GLY A1071 16.808 45.742 19.616 1.00 28.91 C +ATOM 8408 O GLY A1071 16.415 44.580 19.553 1.00 28.91 O +ATOM 8409 N GLU A1072 18.108 46.050 19.533 1.00 34.38 N +ATOM 8410 CA GLU A1072 19.160 45.119 19.067 1.00 34.38 C +ATOM 8411 C GLU A1072 20.081 44.520 20.161 1.00 34.38 C +ATOM 8412 CB GLU A1072 20.082 45.846 18.067 1.00 34.38 C +ATOM 8413 O GLU A1072 20.557 45.253 21.021 1.00 34.38 O +ATOM 8414 CG GLU A1072 19.420 46.390 16.796 1.00 34.38 C +ATOM 8415 CD GLU A1072 20.465 47.058 15.885 1.00 34.38 C +ATOM 8416 OE1 GLU A1072 20.515 46.685 14.691 1.00 34.38 O +ATOM 8417 OE2 GLU A1072 21.208 47.928 16.391 1.00 34.38 O +ATOM 8418 N SER A1073 20.487 43.246 19.963 1.00 36.47 N +ATOM 8419 CA SER A1073 21.816 42.654 20.299 1.00 36.47 C +ATOM 8420 C SER A1073 22.288 42.642 21.781 1.00 36.47 C +ATOM 8421 CB SER A1073 22.854 43.339 19.392 1.00 36.47 C +ATOM 8422 O SER A1073 21.564 43.110 22.655 1.00 36.47 O +ATOM 8423 OG SER A1073 23.471 42.393 18.540 1.00 36.47 O +ATOM 8424 N PRO A1074 23.510 42.151 22.128 1.00 42.12 N +ATOM 8425 CA PRO A1074 24.421 41.210 21.435 1.00 42.12 C +ATOM 8426 C PRO A1074 24.998 40.077 22.335 1.00 42.12 C +ATOM 8427 CB PRO A1074 25.619 42.097 21.068 1.00 42.12 C +ATOM 8428 O PRO A1074 25.312 40.322 23.494 1.00 42.12 O +ATOM 8429 CG PRO A1074 25.706 43.096 22.234 1.00 42.12 C +ATOM 8430 CD PRO A1074 24.346 43.027 22.942 1.00 42.12 C +ATOM 8431 N VAL A1075 25.356 38.905 21.775 1.00 31.72 N +ATOM 8432 CA VAL A1075 26.567 38.137 22.194 1.00 31.72 C +ATOM 8433 C VAL A1075 27.152 37.369 20.987 1.00 31.72 C +ATOM 8434 CB VAL A1075 26.360 37.115 23.346 1.00 31.72 C +ATOM 8435 O VAL A1075 26.412 36.626 20.342 1.00 31.72 O +ATOM 8436 CG1 VAL A1075 27.717 36.533 23.789 1.00 31.72 C +ATOM 8437 CG2 VAL A1075 25.725 37.670 24.626 1.00 31.72 C +ATOM 8438 N PRO A1076 28.456 37.506 20.665 1.00 34.59 N +ATOM 8439 CA PRO A1076 29.107 36.784 19.570 1.00 34.59 C +ATOM 8440 C PRO A1076 29.872 35.533 20.040 1.00 34.59 C +ATOM 8441 CB PRO A1076 30.076 37.813 18.985 1.00 34.59 C +ATOM 8442 O PRO A1076 30.478 35.535 21.109 1.00 34.59 O +ATOM 8443 CG PRO A1076 30.565 38.562 20.228 1.00 34.59 C +ATOM 8444 CD PRO A1076 29.354 38.541 21.166 1.00 34.59 C +ATOM 8445 N LEU A1077 29.964 34.509 19.184 1.00 33.25 N +ATOM 8446 CA LEU A1077 30.983 33.458 19.295 1.00 33.25 C +ATOM 8447 C LEU A1077 31.607 33.157 17.930 1.00 33.25 C +ATOM 8448 CB LEU A1077 30.417 32.188 19.964 1.00 33.25 C +ATOM 8449 O LEU A1077 31.016 32.506 17.072 1.00 33.25 O +ATOM 8450 CG LEU A1077 30.437 32.225 21.505 1.00 33.25 C +ATOM 8451 CD1 LEU A1077 29.678 31.019 22.058 1.00 33.25 C +ATOM 8452 CD2 LEU A1077 31.860 32.171 22.075 1.00 33.25 C +ATOM 8453 N THR A1078 32.837 33.628 17.755 1.00 30.09 N +ATOM 8454 CA THR A1078 33.742 33.218 16.683 1.00 30.09 C +ATOM 8455 C THR A1078 34.483 31.944 17.087 1.00 30.09 C +ATOM 8456 CB THR A1078 34.778 34.324 16.400 1.00 30.09 C +ATOM 8457 O THR A1078 35.006 31.840 18.198 1.00 30.09 O +ATOM 8458 CG2 THR A1078 34.174 35.509 15.651 1.00 30.09 C +ATOM 8459 OG1 THR A1078 35.297 34.845 17.605 1.00 30.09 O +ATOM 8460 N ARG A1079 34.638 30.996 16.159 1.00 31.27 N +ATOM 8461 CA ARG A1079 35.820 30.126 16.157 1.00 31.27 C +ATOM 8462 C ARG A1079 36.197 29.759 14.729 1.00 31.27 C +ATOM 8463 CB ARG A1079 35.643 28.902 17.074 1.00 31.27 C +ATOM 8464 O ARG A1079 35.328 29.479 13.911 1.00 31.27 O +ATOM 8465 CG ARG A1079 36.979 28.613 17.779 1.00 31.27 C +ATOM 8466 CD ARG A1079 36.866 27.470 18.790 1.00 31.27 C +ATOM 8467 NE ARG A1079 38.131 27.307 19.541 1.00 31.27 N +ATOM 8468 NH1 ARG A1079 37.381 27.852 21.652 1.00 31.27 N +ATOM 8469 NH2 ARG A1079 39.521 27.319 21.343 1.00 31.27 N +ATOM 8470 CZ ARG A1079 38.333 27.494 20.835 1.00 31.27 C +ATOM 8471 N ALA A1080 37.489 29.857 14.449 1.00 31.16 N +ATOM 8472 CA ALA A1080 38.051 29.840 13.110 1.00 31.16 C +ATOM 8473 C ALA A1080 38.755 28.512 12.787 1.00 31.16 C +ATOM 8474 CB ALA A1080 39.001 31.042 13.003 1.00 31.16 C +ATOM 8475 O ALA A1080 39.105 27.758 13.692 1.00 31.16 O +ATOM 8476 N ASP A1081 38.966 28.319 11.487 1.00 28.92 N +ATOM 8477 CA ASP A1081 40.087 27.648 10.820 1.00 28.92 C +ATOM 8478 C ASP A1081 40.524 26.237 11.261 1.00 28.92 C +ATOM 8479 CB ASP A1081 41.271 28.626 10.731 1.00 28.92 C +ATOM 8480 O ASP A1081 41.101 26.007 12.321 1.00 28.92 O +ATOM 8481 CG ASP A1081 40.878 29.963 10.083 1.00 28.92 C +ATOM 8482 OD1 ASP A1081 39.883 29.973 9.320 1.00 28.92 O +ATOM 8483 OD2 ASP A1081 41.540 30.974 10.397 1.00 28.92 O +ATOM 8484 N GLY A1082 40.377 25.302 10.317 1.00 30.78 N +ATOM 8485 CA GLY A1082 41.018 23.988 10.306 1.00 30.78 C +ATOM 8486 C GLY A1082 41.093 23.473 8.868 1.00 30.78 C +ATOM 8487 O GLY A1082 40.094 23.023 8.313 1.00 30.78 O +ATOM 8488 N THR A1083 42.256 23.605 8.231 1.00 29.39 N +ATOM 8489 CA THR A1083 42.471 23.290 6.810 1.00 29.39 C +ATOM 8490 C THR A1083 42.889 21.833 6.576 1.00 29.39 C +ATOM 8491 CB THR A1083 43.521 24.241 6.200 1.00 29.39 C +ATOM 8492 O THR A1083 43.602 21.254 7.382 1.00 29.39 O +ATOM 8493 CG2 THR A1083 42.948 25.629 5.925 1.00 29.39 C +ATOM 8494 OG1 THR A1083 44.606 24.432 7.078 1.00 29.39 O +ATOM 8495 N ASN A1084 42.482 21.284 5.420 1.00 28.11 N +ATOM 8496 CA ASN A1084 43.046 20.129 4.696 1.00 28.11 C +ATOM 8497 C ASN A1084 43.503 18.877 5.484 1.00 28.11 C +ATOM 8498 CB ASN A1084 44.223 20.639 3.836 1.00 28.11 C +ATOM 8499 O ASN A1084 44.556 18.880 6.112 1.00 28.11 O +ATOM 8500 CG ASN A1084 43.814 21.566 2.711 1.00 28.11 C +ATOM 8501 ND2 ASN A1084 44.740 22.322 2.172 1.00 28.11 N +ATOM 8502 OD1 ASN A1084 42.675 21.611 2.286 1.00 28.11 O +ATOM 8503 N THR A1085 42.876 17.720 5.219 1.00 27.53 N +ATOM 8504 CA THR A1085 43.454 16.596 4.423 1.00 27.53 C +ATOM 8505 C THR A1085 42.603 15.313 4.525 1.00 27.53 C +ATOM 8506 CB THR A1085 44.904 16.182 4.788 1.00 27.53 C +ATOM 8507 O THR A1085 42.001 15.052 5.557 1.00 27.53 O +ATOM 8508 CG2 THR A1085 45.970 16.970 4.020 1.00 27.53 C +ATOM 8509 OG1 THR A1085 45.190 16.274 6.156 1.00 27.53 O +ATOM 8510 N GLY A1086 42.616 14.469 3.478 1.00 28.97 N +ATOM 8511 CA GLY A1086 42.350 13.021 3.605 1.00 28.97 C +ATOM 8512 C GLY A1086 40.960 12.481 3.207 1.00 28.97 C +ATOM 8513 O GLY A1086 39.995 12.588 3.950 1.00 28.97 O +ATOM 8514 N PHE A1087 40.908 11.784 2.064 1.00 28.19 N +ATOM 8515 CA PHE A1087 39.926 10.729 1.709 1.00 28.19 C +ATOM 8516 C PHE A1087 39.957 9.547 2.734 1.00 28.19 C +ATOM 8517 CB PHE A1087 40.362 10.248 0.306 1.00 28.19 C +ATOM 8518 O PHE A1087 40.959 9.483 3.451 1.00 28.19 O +ATOM 8519 CG PHE A1087 39.904 11.065 -0.884 1.00 28.19 C +ATOM 8520 CD1 PHE A1087 38.756 10.664 -1.596 1.00 28.19 C +ATOM 8521 CD2 PHE A1087 40.666 12.154 -1.349 1.00 28.19 C +ATOM 8522 CE1 PHE A1087 38.373 11.343 -2.766 1.00 28.19 C +ATOM 8523 CE2 PHE A1087 40.279 12.835 -2.518 1.00 28.19 C +ATOM 8524 CZ PHE A1087 39.136 12.428 -3.227 1.00 28.19 C +ATOM 8525 N PRO A1088 39.013 8.550 2.779 1.00 33.03 N +ATOM 8526 CA PRO A1088 38.150 8.072 1.670 1.00 33.03 C +ATOM 8527 C PRO A1088 36.735 7.468 2.018 1.00 33.03 C +ATOM 8528 CB PRO A1088 39.044 6.915 1.187 1.00 33.03 C +ATOM 8529 O PRO A1088 36.355 7.368 3.175 1.00 33.03 O +ATOM 8530 CG PRO A1088 39.390 6.204 2.503 1.00 33.03 C +ATOM 8531 CD PRO A1088 39.324 7.332 3.541 1.00 33.03 C +ATOM 8532 N ARG A1089 36.059 6.899 0.986 1.00 26.89 N +ATOM 8533 CA ARG A1089 35.028 5.801 0.975 1.00 26.89 C +ATOM 8534 C ARG A1089 33.557 6.058 1.414 1.00 26.89 C +ATOM 8535 CB ARG A1089 35.558 4.553 1.729 1.00 26.89 C +ATOM 8536 O ARG A1089 33.307 6.185 2.597 1.00 26.89 O +ATOM 8537 CG ARG A1089 36.710 3.826 1.018 1.00 26.89 C +ATOM 8538 CD ARG A1089 37.379 2.779 1.917 1.00 26.89 C +ATOM 8539 NE ARG A1089 38.637 2.290 1.310 1.00 26.89 N +ATOM 8540 NH1 ARG A1089 39.029 0.544 2.749 1.00 26.89 N +ATOM 8541 NH2 ARG A1089 40.481 0.966 1.112 1.00 26.89 N +ATOM 8542 CZ ARG A1089 39.372 1.273 1.726 1.00 26.89 C +ATOM 8543 N TYR A1090 32.641 5.911 0.428 1.00 26.23 N +ATOM 8544 CA TYR A1090 31.298 5.242 0.388 1.00 26.23 C +ATOM 8545 C TYR A1090 30.237 5.442 1.517 1.00 26.23 C +ATOM 8546 CB TYR A1090 31.547 3.734 0.168 1.00 26.23 C +ATOM 8547 O TYR A1090 30.624 5.624 2.663 1.00 26.23 O +ATOM 8548 CG TYR A1090 32.115 3.355 -1.191 1.00 26.23 C +ATOM 8549 CD1 TYR A1090 31.259 3.246 -2.305 1.00 26.23 C +ATOM 8550 CD2 TYR A1090 33.487 3.071 -1.338 1.00 26.23 C +ATOM 8551 CE1 TYR A1090 31.774 2.870 -3.561 1.00 26.23 C +ATOM 8552 CE2 TYR A1090 34.009 2.698 -2.594 1.00 26.23 C +ATOM 8553 OH TYR A1090 33.631 2.232 -4.926 1.00 26.23 O +ATOM 8554 CZ TYR A1090 33.148 2.597 -3.710 1.00 26.23 C +ATOM 8555 N PRO A1091 28.904 5.282 1.266 1.00 32.47 N +ATOM 8556 CA PRO A1091 28.204 4.855 0.038 1.00 32.47 C +ATOM 8557 C PRO A1091 27.017 5.765 -0.410 1.00 32.47 C +ATOM 8558 CB PRO A1091 27.671 3.472 0.448 1.00 32.47 C +ATOM 8559 O PRO A1091 26.803 6.859 0.101 1.00 32.47 O +ATOM 8560 CG PRO A1091 27.210 3.701 1.889 1.00 32.47 C +ATOM 8561 CD PRO A1091 27.983 4.943 2.353 1.00 32.47 C +ATOM 8562 N ASN A1092 26.270 5.263 -1.402 1.00 27.19 N +ATOM 8563 CA ASN A1092 24.994 5.725 -1.973 1.00 27.19 C +ATOM 8564 C ASN A1092 23.957 6.312 -0.990 1.00 27.19 C +ATOM 8565 CB ASN A1092 24.317 4.480 -2.595 1.00 27.19 C +ATOM 8566 O ASN A1092 23.785 5.783 0.101 1.00 27.19 O +ATOM 8567 CG ASN A1092 25.133 3.751 -3.642 1.00 27.19 C +ATOM 8568 ND2 ASN A1092 24.886 2.476 -3.828 1.00 27.19 N +ATOM 8569 OD1 ASN A1092 26.011 4.296 -4.285 1.00 27.19 O +ATOM 8570 N ASP A1093 23.163 7.284 -1.467 1.00 30.38 N +ATOM 8571 CA ASP A1093 21.716 7.071 -1.692 1.00 30.38 C +ATOM 8572 C ASP A1093 21.064 8.251 -2.446 1.00 30.38 C +ATOM 8573 CB ASP A1093 20.936 6.743 -0.394 1.00 30.38 C +ATOM 8574 O ASP A1093 20.599 9.234 -1.870 1.00 30.38 O +ATOM 8575 CG ASP A1093 20.691 5.238 -0.178 1.00 30.38 C +ATOM 8576 OD1 ASP A1093 20.937 4.448 -1.124 1.00 30.38 O +ATOM 8577 OD2 ASP A1093 20.148 4.903 0.898 1.00 30.38 O +ATOM 8578 N SER A1094 20.990 8.138 -3.777 1.00 26.19 N +ATOM 8579 CA SER A1094 20.093 8.948 -4.612 1.00 26.19 C +ATOM 8580 C SER A1094 18.910 8.083 -5.040 1.00 26.19 C +ATOM 8581 CB SER A1094 20.828 9.525 -5.831 1.00 26.19 C +ATOM 8582 O SER A1094 19.075 7.190 -5.874 1.00 26.19 O +ATOM 8583 OG SER A1094 21.288 8.500 -6.692 1.00 26.19 O +ATOM 8584 N VAL A1095 17.720 8.328 -4.489 1.00 30.22 N +ATOM 8585 CA VAL A1095 16.550 7.468 -4.723 1.00 30.22 C +ATOM 8586 C VAL A1095 15.384 8.261 -5.327 1.00 30.22 C +ATOM 8587 CB VAL A1095 16.139 6.679 -3.455 1.00 30.22 C +ATOM 8588 O VAL A1095 15.113 9.389 -4.927 1.00 30.22 O +ATOM 8589 CG1 VAL A1095 15.427 5.378 -3.851 1.00 30.22 C +ATOM 8590 CG2 VAL A1095 17.320 6.260 -2.563 1.00 30.22 C +ATOM 8591 N TYR A1096 14.676 7.618 -6.262 1.00 28.84 N +ATOM 8592 CA TYR A1096 13.438 8.050 -6.938 1.00 28.84 C +ATOM 8593 C TYR A1096 13.527 9.061 -8.093 1.00 28.84 C +ATOM 8594 CB TYR A1096 12.294 8.303 -5.941 1.00 28.84 C +ATOM 8595 O TYR A1096 12.821 10.066 -8.130 1.00 28.84 O +ATOM 8596 CG TYR A1096 11.910 7.034 -5.215 1.00 28.84 C +ATOM 8597 CD1 TYR A1096 11.224 6.023 -5.918 1.00 28.84 C +ATOM 8598 CD2 TYR A1096 12.320 6.820 -3.886 1.00 28.84 C +ATOM 8599 CE1 TYR A1096 10.974 4.785 -5.302 1.00 28.84 C +ATOM 8600 CE2 TYR A1096 12.083 5.576 -3.270 1.00 28.84 C +ATOM 8601 OH TYR A1096 11.218 3.337 -3.420 1.00 28.84 O +ATOM 8602 CZ TYR A1096 11.420 4.554 -3.985 1.00 28.84 C +ATOM 8603 N ALA A1097 14.245 8.663 -9.148 1.00 27.02 N +ATOM 8604 CA ALA A1097 13.955 9.088 -10.522 1.00 27.02 C +ATOM 8605 C ALA A1097 13.973 7.891 -11.499 1.00 27.02 C +ATOM 8606 CB ALA A1097 14.902 10.226 -10.921 1.00 27.02 C +ATOM 8607 O ALA A1097 14.871 7.767 -12.323 1.00 27.02 O +ATOM 8608 N ASN A1098 12.997 6.983 -11.370 1.00 27.94 N +ATOM 8609 CA ASN A1098 12.590 5.977 -12.368 1.00 27.94 C +ATOM 8610 C ASN A1098 11.249 5.337 -11.929 1.00 27.94 C +ATOM 8611 CB ASN A1098 13.726 4.942 -12.593 1.00 27.94 C +ATOM 8612 O ASN A1098 10.735 5.693 -10.871 1.00 27.94 O +ATOM 8613 CG ASN A1098 14.566 5.254 -13.830 1.00 27.94 C +ATOM 8614 ND2 ASN A1098 15.787 4.776 -13.887 1.00 27.94 N +ATOM 8615 OD1 ASN A1098 14.113 5.863 -14.788 1.00 27.94 O +ATOM 8616 N TRP A1099 10.698 4.403 -12.722 1.00 29.44 N +ATOM 8617 CA TRP A1099 9.372 3.756 -12.572 1.00 29.44 C +ATOM 8618 C TRP A1099 8.156 4.567 -13.069 1.00 29.44 C +ATOM 8619 CB TRP A1099 9.139 3.129 -11.181 1.00 29.44 C +ATOM 8620 O TRP A1099 7.270 4.952 -12.307 1.00 29.44 O +ATOM 8621 CG TRP A1099 10.072 2.032 -10.771 1.00 29.44 C +ATOM 8622 CD1 TRP A1099 11.395 2.160 -10.514 1.00 29.44 C +ATOM 8623 CD2 TRP A1099 9.752 0.629 -10.502 1.00 29.44 C +ATOM 8624 CE2 TRP A1099 10.951 -0.039 -10.111 1.00 29.44 C +ATOM 8625 CE3 TRP A1099 8.569 -0.143 -10.531 1.00 29.44 C +ATOM 8626 NE1 TRP A1099 11.922 0.935 -10.158 1.00 29.44 N +ATOM 8627 CH2 TRP A1099 9.785 -2.134 -9.798 1.00 29.44 C +ATOM 8628 CZ2 TRP A1099 10.980 -1.397 -9.767 1.00 29.44 C +ATOM 8629 CZ3 TRP A1099 8.585 -1.508 -10.180 1.00 29.44 C +ATOM 8630 N MET A1100 8.060 4.712 -14.396 1.00 29.50 N +ATOM 8631 CA MET A1100 6.786 4.556 -15.119 1.00 29.50 C +ATOM 8632 C MET A1100 7.037 3.905 -16.486 1.00 29.50 C +ATOM 8633 CB MET A1100 5.991 5.871 -15.280 1.00 29.50 C +ATOM 8634 O MET A1100 7.249 4.595 -17.482 1.00 29.50 O +ATOM 8635 CG MET A1100 5.085 6.177 -14.079 1.00 29.50 C +ATOM 8636 SD MET A1100 3.690 7.289 -14.422 1.00 29.50 S +ATOM 8637 CE MET A1100 4.565 8.852 -14.685 1.00 29.50 C +ATOM 8638 N LEU A1101 6.982 2.574 -16.504 1.00 29.33 N +ATOM 8639 CA LEU A1101 6.570 1.748 -17.638 1.00 29.33 C +ATOM 8640 C LEU A1101 5.644 0.661 -17.062 1.00 29.33 C +ATOM 8641 CB LEU A1101 7.790 1.172 -18.392 1.00 29.33 C +ATOM 8642 O LEU A1101 5.956 0.071 -16.032 1.00 29.33 O +ATOM 8643 CG LEU A1101 8.204 2.012 -19.618 1.00 29.33 C +ATOM 8644 CD1 LEU A1101 9.607 1.632 -20.092 1.00 29.33 C +ATOM 8645 CD2 LEU A1101 7.242 1.809 -20.794 1.00 29.33 C +ATOM 8646 N SER A1102 4.470 0.513 -17.671 1.00 33.78 N +ATOM 8647 CA SER A1102 3.437 -0.505 -17.399 1.00 33.78 C +ATOM 8648 C SER A1102 3.668 -1.725 -18.320 1.00 33.78 C +ATOM 8649 CB SER A1102 2.097 0.203 -17.661 1.00 33.78 C +ATOM 8650 O SER A1102 4.687 -1.705 -19.017 1.00 33.78 O +ATOM 8651 OG SER A1102 1.958 0.558 -19.026 1.00 33.78 O +ATOM 8652 N PRO A1103 2.750 -2.709 -18.478 1.00 35.62 N +ATOM 8653 CA PRO A1103 1.506 -3.090 -17.765 1.00 35.62 C +ATOM 8654 C PRO A1103 1.793 -4.329 -16.851 1.00 35.62 C +ATOM 8655 CB PRO A1103 0.527 -3.254 -18.944 1.00 35.62 C +ATOM 8656 O PRO A1103 2.961 -4.625 -16.666 1.00 35.62 O +ATOM 8657 CG PRO A1103 1.383 -3.659 -20.151 1.00 35.62 C +ATOM 8658 CD PRO A1103 2.815 -3.587 -19.639 1.00 35.62 C +ATOM 8659 N SER A1104 0.917 -5.037 -16.128 1.00 32.84 N +ATOM 8660 CA SER A1104 -0.490 -5.384 -16.344 1.00 32.84 C +ATOM 8661 C SER A1104 -1.331 -5.314 -15.049 1.00 32.84 C +ATOM 8662 CB SER A1104 -0.552 -6.761 -17.035 1.00 32.84 C +ATOM 8663 O SER A1104 -1.305 -4.278 -14.379 1.00 32.84 O +ATOM 8664 OG SER A1104 0.057 -6.693 -18.311 1.00 32.84 O +ATOM 8665 N ALA A1105 -2.317 -6.213 -14.918 1.00 29.72 N +ATOM 8666 CA ALA A1105 -3.707 -5.830 -14.652 1.00 29.72 C +ATOM 8667 C ALA A1105 -4.659 -7.056 -14.624 1.00 29.72 C +ATOM 8668 CB ALA A1105 -4.132 -4.962 -15.857 1.00 29.72 C +ATOM 8669 O ALA A1105 -4.469 -7.911 -15.482 1.00 29.72 O +ATOM 8670 N ALA A1106 -5.708 -7.082 -13.780 1.00 29.34 N +ATOM 8671 CA ALA A1106 -7.054 -7.682 -13.996 1.00 29.34 C +ATOM 8672 C ALA A1106 -7.923 -7.574 -12.734 1.00 29.34 C +ATOM 8673 CB ALA A1106 -7.042 -9.175 -14.399 1.00 29.34 C +ATOM 8674 O ALA A1106 -7.566 -8.183 -11.733 1.00 29.34 O +ATOM 8675 N LYS A1107 -9.086 -6.908 -12.865 1.00 34.66 N +ATOM 8676 CA LYS A1107 -10.324 -6.893 -12.033 1.00 34.66 C +ATOM 8677 C LYS A1107 -10.751 -5.477 -11.684 1.00 34.66 C +ATOM 8678 CB LYS A1107 -10.276 -7.821 -10.810 1.00 34.66 C +ATOM 8679 O LYS A1107 -9.890 -4.604 -11.672 1.00 34.66 O +ATOM 8680 CG LYS A1107 -10.580 -9.203 -11.366 1.00 34.66 C +ATOM 8681 CD LYS A1107 -10.141 -10.320 -10.447 1.00 34.66 C +ATOM 8682 CE LYS A1107 -10.471 -11.578 -11.249 1.00 34.66 C +ATOM 8683 NZ LYS A1107 -11.858 -12.036 -11.019 1.00 34.66 N +ATOM 8684 N LEU A1108 -12.043 -5.206 -11.505 1.00 33.06 N +ATOM 8685 CA LEU A1108 -13.214 -6.018 -11.128 1.00 33.06 C +ATOM 8686 C LEU A1108 -14.524 -5.305 -11.568 1.00 33.06 C +ATOM 8687 CB LEU A1108 -13.166 -6.165 -9.578 1.00 33.06 C +ATOM 8688 O LEU A1108 -15.069 -4.487 -10.831 1.00 33.06 O +ATOM 8689 CG LEU A1108 -13.635 -7.525 -9.036 1.00 33.06 C +ATOM 8690 CD1 LEU A1108 -13.074 -7.740 -7.630 1.00 33.06 C +ATOM 8691 CD2 LEU A1108 -15.156 -7.632 -8.982 1.00 33.06 C +ATOM 8692 N MET A1109 -15.077 -5.614 -12.746 1.00 32.69 N +ATOM 8693 CA MET A1109 -16.392 -5.086 -13.152 1.00 32.69 C +ATOM 8694 C MET A1109 -17.323 -6.213 -13.605 1.00 32.69 C +ATOM 8695 CB MET A1109 -16.242 -3.935 -14.169 1.00 32.69 C +ATOM 8696 O MET A1109 -16.864 -7.174 -14.220 1.00 32.69 O +ATOM 8697 CG MET A1109 -17.438 -2.970 -14.122 1.00 32.69 C +ATOM 8698 SD MET A1109 -17.168 -1.344 -14.899 1.00 32.69 S +ATOM 8699 CE MET A1109 -18.686 -0.533 -14.324 1.00 32.69 C +ATOM 8700 N ASP A1110 -18.605 -6.033 -13.277 1.00 38.06 N +ATOM 8701 CA ASP A1110 -19.745 -6.948 -13.428 1.00 38.06 C +ATOM 8702 C ASP A1110 -19.691 -8.161 -12.458 1.00 38.06 C +ATOM 8703 CB ASP A1110 -19.969 -7.282 -14.919 1.00 38.06 C +ATOM 8704 O ASP A1110 -18.678 -8.844 -12.349 1.00 38.06 O +ATOM 8705 CG ASP A1110 -19.985 -6.041 -15.835 1.00 38.06 C +ATOM 8706 OD1 ASP A1110 -20.320 -4.937 -15.339 1.00 38.06 O +ATOM 8707 OD2 ASP A1110 -19.670 -6.198 -17.038 1.00 38.06 O +ATOM 8708 N THR A1111 -20.722 -8.479 -11.662 1.00 38.06 N +ATOM 8709 CA THR A1111 -22.161 -8.161 -11.781 1.00 38.06 C +ATOM 8710 C THR A1111 -22.864 -7.911 -10.437 1.00 38.06 C +ATOM 8711 CB THR A1111 -22.908 -9.375 -12.374 1.00 38.06 C +ATOM 8712 O THR A1111 -22.772 -8.737 -9.530 1.00 38.06 O +ATOM 8713 CG2 THR A1111 -22.637 -9.610 -13.854 1.00 38.06 C +ATOM 8714 OG1 THR A1111 -22.540 -10.555 -11.687 1.00 38.06 O +ATOM 8715 N PHE A1112 -23.720 -6.889 -10.387 1.00 33.28 N +ATOM 8716 CA PHE A1112 -25.081 -7.018 -9.846 1.00 33.28 C +ATOM 8717 C PHE A1112 -26.013 -6.196 -10.747 1.00 33.28 C +ATOM 8718 CB PHE A1112 -25.183 -6.588 -8.369 1.00 33.28 C +ATOM 8719 O PHE A1112 -25.765 -5.012 -10.962 1.00 33.28 O +ATOM 8720 CG PHE A1112 -25.306 -7.753 -7.398 1.00 33.28 C +ATOM 8721 CD1 PHE A1112 -26.534 -8.433 -7.264 1.00 33.28 C +ATOM 8722 CD2 PHE A1112 -24.198 -8.166 -6.634 1.00 33.28 C +ATOM 8723 CE1 PHE A1112 -26.650 -9.518 -6.373 1.00 33.28 C +ATOM 8724 CE2 PHE A1112 -24.317 -9.245 -5.738 1.00 33.28 C +ATOM 8725 CZ PHE A1112 -25.542 -9.922 -5.607 1.00 33.28 C +ATOM 8726 N ASP A1113 -27.039 -6.838 -11.309 1.00 39.66 N +ATOM 8727 CA ASP A1113 -28.010 -6.206 -12.210 1.00 39.66 C +ATOM 8728 C ASP A1113 -28.937 -5.230 -11.463 1.00 39.66 C +ATOM 8729 CB ASP A1113 -28.878 -7.283 -12.899 1.00 39.66 C +ATOM 8730 O ASP A1113 -29.786 -5.662 -10.677 1.00 39.66 O +ATOM 8731 CG ASP A1113 -28.295 -7.843 -14.199 1.00 39.66 C +ATOM 8732 OD1 ASP A1113 -27.924 -7.025 -15.069 1.00 39.66 O +ATOM 8733 OD2 ASP A1113 -28.277 -9.087 -14.335 1.00 39.66 O +ATOM 8734 N SER A1114 -28.830 -3.933 -11.786 1.00 29.44 N +ATOM 8735 CA SER A1114 -29.955 -2.978 -11.870 1.00 29.44 C +ATOM 8736 C SER A1114 -29.564 -1.713 -12.639 1.00 29.44 C +ATOM 8737 CB SER A1114 -30.523 -2.615 -10.493 1.00 29.44 C +ATOM 8738 O SER A1114 -28.638 -1.023 -12.153 1.00 29.44 O +ATOM 8739 OG SER A1114 -29.602 -1.798 -9.808 1.00 29.44 O +ATOM 8740 OXT SER A1114 -30.231 -1.423 -13.654 1.00 29.44 O +TER 8741 SER A1114 +ENDMDL +END \ No newline at end of file diff --git a/notebooks/scop3p_py3dmol_mapper.ipynb b/notebooks/scop3p_py3dmol_mapper.ipynb new file mode 100644 index 0000000..e762cf2 --- /dev/null +++ b/notebooks/scop3p_py3dmol_mapper.ipynb @@ -0,0 +1,644 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 1, + "id": "1de40a2f", + "metadata": {}, + "outputs": [], + "source": [ + "import requests, json, sys\n", + "import pandas as pd\n", + "import py3Dmol\n", + "import ipywidgets as widgets\n", + "\n", + "import urllib.request\n", + "from urllib.error import HTTPError, URLError\n", + "import re\n", + "\n", + "from IPython.display import display, clear_output, HTML\n", + "from pathlib import Path" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "af38fbb5", + "metadata": {}, + "outputs": [], + "source": [ + "def scop3p_py3dmol_mapper_app(default_accession=\"\"):\n", + " # -------------------------\n", + " # 1) Scop3P API fetch\n", + " # -------------------------\n", + " def fetch_scop3p_peptides(accession: str) -> pd.DataFrame:\n", + " url = f\"https://iomics.ugent.be/scop3p/api/get-peptides-modifications?accession={accession}\"\n", + " r = requests.get(url, timeout=30)\n", + " r.raise_for_status()\n", + " data = r.json()\n", + "\n", + " df = pd.DataFrame(data.get(\"peptides\", []))\n", + " if df.empty:\n", + " return df\n", + "\n", + " for c in [\"peptideStart\", \"peptideEnd\", \"peptideModificationPosition\", \"uniprotPosition\"]:\n", + " if c in df.columns:\n", + " df[c] = pd.to_numeric(df[c], errors=\"coerce\").astype(\"Int64\")\n", + "\n", + " df[\"label\"] = df.apply(\n", + " lambda x: (\n", + " f'{x[\"peptideSequence\"]} ({int(x[\"peptideStart\"])}-{int(x[\"peptideEnd\"])}) '\n", + " f'@{x.get(\"modifiedResidue\",\"\")}{int(x[\"uniprotPosition\"])} score={x.get(\"score\",\"\")}'\n", + " ),\n", + " axis=1,\n", + " )\n", + " return df\n", + "\n", + " # -------------------------\n", + " # 2) AlphaFold download (fallback v6 -> v4)\n", + " # -------------------------\n", + " def download_alphafold_pdb(accession: str, versions=(\"v6\", \"v4\")) -> str:\n", + " base = \"https://alphafold.ebi.ac.uk/files\"\n", + " last_err = None\n", + "\n", + " cache_dir = Path(\"af_cache\")\n", + " cache_dir.mkdir(exist_ok=True)\n", + " out = str(cache_dir / f\"{accession}.pdb\")\n", + "\n", + " for v in versions:\n", + " pdb_name = f\"AF-{accession}-F1-model_{v}.pdb\"\n", + " url = f\"{base}/{pdb_name}\"\n", + " try:\n", + " urllib.request.urlretrieve(url, out)\n", + "\n", + " import os\n", + "\n", + " if os.path.getsize(out) < 1000:\n", + " raise RuntimeError(f\"Downloaded file too small from {url}\")\n", + "\n", + " return out\n", + " except (HTTPError, URLError, RuntimeError) as e:\n", + " last_err = e\n", + "\n", + " raise RuntimeError(\n", + " f\"Could not download AlphaFold PDB for {accession}. Last error: {last_err}\"\n", + " )\n", + "\n", + " # -------------------------\n", + " # 3) py3Dmol helpers\n", + " # -------------------------\n", + " def spans_to_resi_list(spans):\n", + " \"\"\"Convert list of (start, end) tuples to a flat sorted list of residue numbers.\"\"\"\n", + " pos = set()\n", + " for a, b in spans:\n", + " pos.update(range(int(a), int(b) + 1))\n", + " return sorted(pos)\n", + "\n", + " def make_py3dmol_view(pdb_path, union_spans, inter_pos, mod_positions, show_mods):\n", + " \"\"\"Build and return a py3Dmol.view with the requested colouring.\"\"\"\n", + " pdb_text = Path(pdb_path).read_text(errors=\"ignore\")\n", + "\n", + " view = py3Dmol.view(width=1100, height=700)\n", + " view.addModel(pdb_text, \"pdb\")\n", + "\n", + " # base: grey cartoon for entire protein\n", + " view.setStyle({}, {\"cartoon\": {\"color\": \"silver\"}})\n", + "\n", + " # blue cartoon for peptide union\n", + " union_resi = spans_to_resi_list(union_spans)\n", + " if union_resi:\n", + " view.addStyle({\"resi\": union_resi}, {\"cartoon\": {\"color\": \"blue\"}})\n", + "\n", + " # red ball+stick for intersection residues\n", + " if inter_pos:\n", + " view.addStyle(\n", + " {\"resi\": sorted(set(int(p) for p in inter_pos))},\n", + " {\"stick\": {\"color\": \"red\", \"radius\": 0.2}, \"sphere\": {\"color\": \"red\", \"scale\": 0.3}},\n", + " )\n", + "\n", + " # magenta ball+stick for modification sites\n", + " if show_mods and mod_positions:\n", + " view.addStyle(\n", + " {\"resi\": sorted(set(int(p) for p in mod_positions))},\n", + " {\"stick\": {\"color\": \"magenta\", \"radius\": 0.2}, \"sphere\": {\"color\": \"magenta\", \"scale\": 0.3}},\n", + " )\n", + "\n", + " view.zoomTo()\n", + " return view\n", + "\n", + " # -------------------------\n", + " # 4) Filter logic\n", + " # -------------------------\n", + " def filter_peptides(df: pd.DataFrame, query: str) -> pd.DataFrame:\n", + " if df is None or df.empty:\n", + " return df\n", + " if not query:\n", + " return df\n", + "\n", + " q = query.strip()\n", + "\n", + " m = re.match(r\"^(\\d+)\\s*-\\s*(\\d+)$\", q)\n", + " if m:\n", + " a, b = int(m.group(1)), int(m.group(2))\n", + " return df[(df[\"peptideStart\"] <= b) & (df[\"peptideEnd\"] >= a)]\n", + "\n", + " m = re.match(r\"^>=\\s*(\\d+)$\", q)\n", + " if m:\n", + " p = int(m.group(1))\n", + " return df[df[\"peptideEnd\"] >= p]\n", + "\n", + " m = re.match(r\"^<=\\s*(\\d+)$\", q)\n", + " if m:\n", + " p = int(m.group(1))\n", + " return df[df[\"peptideStart\"] <= p]\n", + "\n", + " if q.isdigit():\n", + " p = int(q)\n", + " return df[(df[\"peptideStart\"] <= p) & (df[\"peptideEnd\"] >= p)]\n", + "\n", + " return df[\n", + " df[\"peptideSequence\"].astype(str).str.contains(q, case=False, na=False)\n", + " ]\n", + "\n", + " # -------------------------\n", + " # 5) UI (Voila-safe)\n", + " # -------------------------\n", + " header = widgets.HTML(\n", + " \"Scop3P → AlphaFold → py3Dmol peptide mapper
\"\n", + " \"Enter accession → Load → (optional) Search → select peptides (auto-renders).\"\n", + " )\n", + "\n", + " acc_input = widgets.Text(\n", + " value=default_accession,\n", + " description=\"ACC_ID:\",\n", + " layout=widgets.Layout(width=\"260px\"),\n", + " )\n", + " load_btn = widgets.Button(description=\"Load\", button_style=\"primary\")\n", + "\n", + " mode = widgets.ToggleButtons(\n", + " options=[\"Unique peptide spans\", \"All rows\"],\n", + " value=\"Unique peptide spans\",\n", + " description=\"List:\",\n", + " )\n", + "\n", + " search_box = widgets.Text(\n", + " value=\"\",\n", + " placeholder=\"Filter: substring (SSFG), range (70-90), >=150, <=300, or single pos (154)\",\n", + " description=\"Search:\",\n", + " layout=widgets.Layout(width=\"750px\"),\n", + " )\n", + "\n", + " peptide_multi = widgets.SelectMultiple(\n", + " description=\"Peptides:\",\n", + " options=[],\n", + " layout=widgets.Layout(width=\"980px\", height=\"240px\"),\n", + " )\n", + "\n", + " show_mods_chk = widgets.Checkbox(\n", + " value=True, description=\"Show modified sites (magenta)\"\n", + " )\n", + " show_mods_mode = widgets.ToggleButtons(\n", + " options=[\"Selected peptides only\", \"All protein mods\"],\n", + " value=\"Selected peptides only\",\n", + " description=\"Mods:\",\n", + " )\n", + "\n", + " map_all_btn = widgets.Button(\n", + " description=\"Map all (filtered)\", button_style=\"warning\"\n", + " )\n", + "\n", + " export_html_btn = widgets.Button(\n", + " description=\"Export styled HTML\", button_style=\"info\"\n", + " )\n", + "\n", + " out = widgets.Output()\n", + "\n", + " controls_row1 = widgets.HBox([acc_input, load_btn, mode])\n", + " controls_row2 = widgets.HBox(\n", + " [map_all_btn, show_mods_chk, show_mods_mode, export_html_btn]\n", + " )\n", + "\n", + " app = widgets.VBox(\n", + " [header, controls_row1, search_box, peptide_multi, controls_row2, out]\n", + " )\n", + "\n", + " # -------------------------\n", + " # 6) State\n", + " # -------------------------\n", + " STATE = {\n", + " \"df\": pd.DataFrame(),\n", + " \"df_filtered\": pd.DataFrame(),\n", + " \"pdb_path\": None,\n", + " \"acc_loaded\": None,\n", + " \"suspend_autorender\": False,\n", + " \"last_action\": None,\n", + " \"last_union_spans\": [],\n", + " \"last_inter_pos\": [],\n", + " \"last_mod_pos\": [],\n", + " \"last_pdb_path\": None,\n", + " }\n", + "\n", + " def build_peptide_options(df: pd.DataFrame, mode_value: str):\n", + " if df is None or df.empty:\n", + " return []\n", + "\n", + " if mode_value == \"Unique peptide spans\":\n", + " g = df.groupby(\n", + " [\"peptideSequence\", \"peptideStart\", \"peptideEnd\"], as_index=False\n", + " ).agg(\n", + " n_mod_sites=(\"uniprotPosition\", \"nunique\"),\n", + " max_score=(\"score\", \"max\"),\n", + " )\n", + " opts = []\n", + " for _, row in g.iterrows():\n", + " key = (\n", + " row[\"peptideSequence\"],\n", + " int(row[\"peptideStart\"]),\n", + " int(row[\"peptideEnd\"]),\n", + " )\n", + " label = f'{key[0]} ({key[1]}-{key[2]}) | modSites={int(row[\"n_mod_sites\"])} maxScore={row[\"max_score\"]}'\n", + " opts.append((label, key))\n", + " return opts\n", + "\n", + " return [(r[\"label\"], int(idx)) for idx, r in df.iterrows()]\n", + "\n", + " def ensure_loaded_assets(acc: str):\n", + " if STATE[\"acc_loaded\"] != acc:\n", + " STATE[\"pdb_path\"] = None\n", + " STATE[\"acc_loaded\"] = acc\n", + "\n", + " if STATE[\"pdb_path\"] is None:\n", + " STATE[\"pdb_path\"] = download_alphafold_pdb(acc)\n", + "\n", + " return STATE[\"pdb_path\"]\n", + "\n", + " def refresh_filtered_and_options(keep_selection=True):\n", + " df = STATE[\"df\"]\n", + " df_filt = filter_peptides(df, search_box.value)\n", + " STATE[\"df_filtered\"] = df_filt\n", + "\n", + " old_sel = set(peptide_multi.value) if keep_selection else set()\n", + " peptide_multi.options = build_peptide_options(df_filt, mode.value)\n", + "\n", + " if keep_selection and old_sel:\n", + " valid_vals = [v for _, v in peptide_multi.options]\n", + " restored = [v for v in valid_vals if v in old_sel]\n", + " STATE[\"suspend_autorender\"] = True\n", + " try:\n", + " peptide_multi.value = tuple(restored)\n", + " finally:\n", + " STATE[\"suspend_autorender\"] = False\n", + "\n", + " # -------------------------\n", + " # 7) Render\n", + " # -------------------------\n", + " def render_current_selection():\n", + " with out:\n", + " clear_output()\n", + "\n", + " acc = acc_input.value.strip()\n", + " df_all = STATE[\"df\"]\n", + " df_filt = STATE[\"df_filtered\"]\n", + "\n", + " if df_all is None or df_all.empty:\n", + " print(\"No data loaded. Click Load.\")\n", + " return\n", + "\n", + " selected = list(peptide_multi.value)\n", + " if not selected:\n", + " print(\"Select at least one peptide (or click 'Map all (filtered)').\")\n", + " return\n", + "\n", + " try:\n", + " pdb_path = ensure_loaded_assets(acc)\n", + " except Exception as e:\n", + " print(\"AlphaFold download error:\", e)\n", + " return\n", + "\n", + " spans = []\n", + " mod_positions = []\n", + "\n", + " if mode.value == \"Unique peptide spans\":\n", + " spans = [(int(s), int(e)) for _, s, e in selected]\n", + "\n", + " if show_mods_mode.value == \"Selected peptides only\":\n", + " for pepSeq, s, e in selected:\n", + " sub = df_all[\n", + " (df_all[\"peptideSequence\"] == pepSeq)\n", + " & (df_all[\"peptideStart\"] == int(s))\n", + " & (df_all[\"peptideEnd\"] == int(e))\n", + " ]\n", + " mod_positions.extend(\n", + " sub[\"uniprotPosition\"].dropna().astype(int).tolist()\n", + " )\n", + " else:\n", + " mod_positions = (\n", + " df_all[\"uniprotPosition\"].dropna().astype(int).tolist()\n", + " )\n", + "\n", + " else:\n", + " sub = df_filt.loc[selected].copy()\n", + " spans = [\n", + " (int(r[\"peptideStart\"]), int(r[\"peptideEnd\"]))\n", + " for _, r in sub.iterrows()\n", + " ]\n", + "\n", + " if show_mods_mode.value == \"Selected peptides only\":\n", + " mod_positions = (\n", + " sub[\"uniprotPosition\"].dropna().astype(int).tolist()\n", + " )\n", + " else:\n", + " mod_positions = (\n", + " df_all[\"uniprotPosition\"].dropna().astype(int).tolist()\n", + " )\n", + "\n", + " # union / intersection\n", + " pos_lists = [list(range(a, b + 1)) for a, b in spans]\n", + " union_pos = sorted(set(p for L in pos_lists for p in L))\n", + " inter_pos = (\n", + " sorted(set(pos_lists[0]).intersection(*map(set, pos_lists[1:])))\n", + " if len(pos_lists) > 1\n", + " else []\n", + " )\n", + "\n", + " # --- py3Dmol view ---\n", + " view = make_py3dmol_view(\n", + " pdb_path, spans, inter_pos, mod_positions, show_mods_chk.value\n", + " )\n", + " display(view)\n", + "\n", + " # store last render state\n", + " STATE[\"last_union_spans\"] = spans\n", + " STATE[\"last_inter_pos\"] = sorted(set(int(x) for x in inter_pos))\n", + " STATE[\"last_mod_pos\"] = sorted(set(int(x) for x in mod_positions))\n", + " STATE[\"last_pdb_path\"] = pdb_path\n", + "\n", + " spans_sorted = sorted(spans, key=lambda x: (x[0], x[1]))\n", + " first_start = spans_sorted[0][0]\n", + " last_end = spans_sorted[-1][1]\n", + "\n", + " print(f\"\\nACC_ID: {acc}\")\n", + " print(f\"AlphaFold model: {pdb_path}\")\n", + " print(f\"Selected peptide spans: {len(spans_sorted)}\")\n", + " print(f\"Coverage: {first_start} → {last_end}\")\n", + "\n", + " if inter_pos:\n", + " print(f\"Intersection (red): {len(inter_pos)} residues\")\n", + " else:\n", + " print(\"Intersection: none (only one peptide)\")\n", + "\n", + " if show_mods_chk.value:\n", + " print(\n", + " f\"Modified sites (magenta): {len(set(mod_positions))} unique positions\"\n", + " )\n", + "\n", + " # -------------------------\n", + " # 8) HTML export (standalone 3Dmol.js)\n", + " # -------------------------\n", + " def _write_styled_3dmol_html(\n", + " acc, pdb_path, union_spans, inter_pos, mod_pos, out_html_path\n", + " ):\n", + " pdb_text = Path(pdb_path).read_text(errors=\"ignore\")\n", + "\n", + " union_resi = spans_to_resi_list(union_spans)\n", + "\n", + " payload = {\n", + " \"acc\": acc,\n", + " \"union_resi\": union_resi,\n", + " \"intersection\": inter_pos,\n", + " \"mods\": mod_pos,\n", + " }\n", + "\n", + " html = f\"\"\"\n", + "\n", + "\n", + " \n", + " {acc} styled 3Dmol session\n", + " \n", + " \n", + "\n", + "\n", + "
\n", + "
\n", + " {acc}
\n", + "
Grey: protein | Blue: peptides | Red: intersection | Magenta: mods
\n", + "
\n", + " union residues: {len(union_resi)} | mods: {len(mod_pos)} | intersection: {len(inter_pos)}\n", + "
\n", + "
\n", + "
\n", + "\n", + " \n", + "\n", + "\n", + "\"\"\"\n", + " Path(out_html_path).write_text(html, encoding=\"utf-8\")\n", + "\n", + " def on_export_html(_):\n", + " with out:\n", + " acc = acc_input.value.strip()\n", + " if not acc:\n", + " print(\"Enter an accession first.\")\n", + " return\n", + " if not STATE.get(\"last_pdb_path\"):\n", + " print(\n", + " \"Render a selection first (so peptides/mods exist) before exporting.\"\n", + " )\n", + " return\n", + "\n", + " export_dir = Path(\"exports\")\n", + " export_dir.mkdir(exist_ok=True)\n", + " html_path = export_dir / f\"{acc}_styled_session.html\"\n", + "\n", + " _write_styled_3dmol_html(\n", + " acc=acc,\n", + " pdb_path=STATE[\"last_pdb_path\"],\n", + " union_spans=STATE[\"last_union_spans\"],\n", + " inter_pos=STATE[\"last_inter_pos\"],\n", + " mod_pos=STATE[\"last_mod_pos\"],\n", + " out_html_path=html_path,\n", + " )\n", + "\n", + " print(f\"Exported styled HTML to: {html_path.resolve()}\")\n", + " print(\"Open it in a browser — peptide/mod colors are preserved.\")\n", + "\n", + " # -------------------------\n", + " # 9) Events\n", + " # -------------------------\n", + " def on_load(_):\n", + " with out:\n", + " clear_output()\n", + " acc = acc_input.value.strip()\n", + " if not acc:\n", + " print(\"Enter an accession (e.g., O00571) then click Load.\")\n", + " return\n", + "\n", + " try:\n", + " df = fetch_scop3p_peptides(acc)\n", + " except Exception as e:\n", + " print(\"API error:\", e)\n", + " STATE[\"df\"] = pd.DataFrame()\n", + " STATE[\"df_filtered\"] = pd.DataFrame()\n", + " peptide_multi.options = []\n", + " return\n", + "\n", + " if df.empty:\n", + " print(f\"No peptides returned for {acc}.\")\n", + " STATE[\"df\"] = df\n", + " STATE[\"df_filtered\"] = df\n", + " peptide_multi.options = []\n", + " return\n", + "\n", + " STATE[\"df\"] = df\n", + " STATE[\"acc_loaded\"] = acc\n", + " STATE[\"pdb_path\"] = None\n", + " STATE[\"last_action\"] = None\n", + "\n", + " refresh_filtered_and_options(keep_selection=False)\n", + "\n", + " print(f\"Loaded {len(df)} Scop3P peptide-mod rows for {acc}.\")\n", + " print(\"Use Search to filter; select peptides to map (auto-renders).\")\n", + "\n", + " def on_mode_change(_):\n", + " refresh_filtered_and_options(keep_selection=True)\n", + " if peptide_multi.value:\n", + " STATE[\"last_action\"] = \"select\"\n", + " render_current_selection()\n", + "\n", + " def on_search_change(_):\n", + " refresh_filtered_and_options(keep_selection=True)\n", + " if peptide_multi.value:\n", + " STATE[\"last_action\"] = \"select\"\n", + " render_current_selection()\n", + "\n", + " def on_selection_change(_):\n", + " if STATE[\"suspend_autorender\"]:\n", + " return\n", + " if peptide_multi.value:\n", + " STATE[\"last_action\"] = \"select\"\n", + " render_current_selection()\n", + "\n", + " def on_mods_toggle(_):\n", + " if peptide_multi.value:\n", + " STATE[\"last_action\"] = \"select\"\n", + " render_current_selection()\n", + "\n", + " def on_map_all(_):\n", + " STATE[\"last_action\"] = \"map_all\"\n", + " STATE[\"suspend_autorender\"] = True\n", + " try:\n", + " all_vals = [v for (_, v) in peptide_multi.options]\n", + " peptide_multi.value = tuple(all_vals)\n", + " finally:\n", + " STATE[\"suspend_autorender\"] = False\n", + " render_current_selection()\n", + "\n", + " load_btn.on_click(on_load)\n", + " mode.observe(on_mode_change, names=\"value\")\n", + " search_box.observe(on_search_change, names=\"value\")\n", + " peptide_multi.observe(on_selection_change, names=\"value\")\n", + " show_mods_chk.observe(on_mods_toggle, names=\"value\")\n", + " show_mods_mode.observe(on_mods_toggle, names=\"value\")\n", + " map_all_btn.on_click(on_map_all)\n", + " export_html_btn.on_click(on_export_html)\n", + "\n", + " return app\n", + "\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "d123565b", + "metadata": {}, + "outputs": [ + { + "data": { + "application/vnd.jupyter.widget-view+json": { + "model_id": "a294c749a8bf4984aa77a534ece03554", + "version_major": 2, + "version_minor": 0 + }, + "text/plain": [ + "VBox(children=(HTML(value='Scop3P → AlphaFold → py3Dmol peptide mapper
Enter accession → Load → (opt…" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "app = scop3p_py3dmol_mapper_app(\"\")\n", + "display(app)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "95866283-d511-49fa-9399-f99ffa7fe86c", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.3" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/topology/README.md b/topology/README.md new file mode 100644 index 0000000..5cf58a8 --- /dev/null +++ b/topology/README.md @@ -0,0 +1,32 @@ +# AlphaFold / PDBe-Style Topology Voila App + +This project turns an AlphaFold DB mmCIF file into an interactive PDBe-style secondary-structure topology diagram inside a Voila/Jupyter app. + +The app now derives topology from AlphaFold mmCIF data, converts it into the same API-shaped topology model used by PDBe (`helices`, `strands`, `coils`, `terms`, and path coordinates), and renders it with the official PDBe topology viewer plugin. DSSP flatfiles are still accepted as a fallback parser. + +For AlphaFold models, helices and strands are read from mmCIF `_struct_conf`; strand-to-strand contacts are inferred from CA geometry and used to arrange sheet-like groups. The AlphaFold DB API is used to fetch the v6 mmCIF and metadata. + +The topology is linked to Mol*, so hovering or clicking residues in the 2D topology can highlight/select the same residue in the 3D AlphaFold model. Residue-level pLDDT is exposed as a topology annotation/detail layer. + +## Run + +```powershell +pip install -r requirements.txt +voila dssp_topology_voila.ipynb +``` + +In JupyterLab, open `dssp_topology_voila.ipynb` and render it with Voila. +JupyterLab itself is optional and can be installed separately if you want a notebook editor. + +## Use + +1. Enter an **AFDB AC** value such as `P07949`. +2. Click **Fetch AFDB topology** to download the AlphaFold DB mmCIF and build the topology. +3. Hover or click topology residues to see pLDDT/secondary-structure details and link to Mol*. +4. Optionally upload a local `.cif`, `.mmcif`, or `.dssp` file and click **Visualize topology**. + +If the original `P07949.dssp` path exists on the same machine, the app also enables **Load P07949 example**. + +## Notes + +PDBe’s exact production topology layout for PDB entries is precomputed server-side and served from the PDBe topology API. For AlphaFold entries there is no equivalent public PDBe topology endpoint, so this project generates compatible topology JSON locally from the AlphaFold mmCIF, then hands it to the official PDBe browser renderer. diff --git a/topology/dssp_topology_app.py b/topology/dssp_topology_app.py new file mode 100644 index 0000000..b0f81bc --- /dev/null +++ b/topology/dssp_topology_app.py @@ -0,0 +1,4836 @@ +from __future__ import annotations + +import json +import math +import re +import urllib.error +import urllib.request +import uuid +from pathlib import Path +from typing import Any, Dict, Iterable, List, Optional, Tuple + + +DEFAULT_DSSP_PATH = ( + r"C:\Users\drpat\OneDrive - UGent\Desktop\PD\Scop3P_update2025" + r"\Scop3P_AF_DSSP\DSSP_flatfiles\P07949.dssp" +) + +FLOAT_RE = re.compile(r"[-+]?(?:\d+\.\d+|\d+)(?:[Ee][-+]?\d+)?") + +SS_NAMES = { + "H": "Alpha helix", + "G": "3-10 helix", + "I": "Pi helix", + "E": "Beta strand", + "B": "Beta bridge", + "T": "Turn", + "S": "Bend", + "C": "Coil", +} + +AA3_TO_1 = { + "ALA": "A", + "ARG": "R", + "ASN": "N", + "ASP": "D", + "CYS": "C", + "GLN": "Q", + "GLU": "E", + "GLY": "G", + "HIS": "H", + "ILE": "I", + "LEU": "L", + "LYS": "K", + "MET": "M", + "PHE": "F", + "PRO": "P", + "SER": "S", + "THR": "T", + "TRP": "W", + "TYR": "Y", + "VAL": "V", + "SEC": "U", + "PYL": "O", +} + + +def _parse_int(value: str) -> Optional[int]: + value = value.strip() + if not value: + return None + try: + return int(value) + except ValueError: + return None + + +def _ss_kind(ss: str) -> str: + if ss in {"H", "G", "I"}: + return "helix" + if ss in {"E", "B"}: + return "strand" + if ss == "T": + return "turn" + if ss == "S": + return "bend" + return "coil" + + +def _clean_header_value(line: str) -> str: + return line.rstrip(" .").strip() + + +def _extract_metadata(lines: Iterable[str]) -> Dict[str, Any]: + metadata: Dict[str, Any] = {} + for line in lines: + if line.startswith("HEADER"): + metadata["header"] = _clean_header_value(line[10:]) + elif line.startswith("COMPND"): + molecule_match = re.search(r"MOLECULE:\s*([^;]+)", line) + chain_match = re.search(r"CHAIN:\s*([^;]+)", line) + if molecule_match: + metadata["molecule"] = molecule_match.group(1).strip() + if chain_match: + metadata["declared_chain"] = chain_match.group(1).strip() + elif "TOTAL NUMBER OF RESIDUES" in line: + total = _parse_int(line[:6]) + if total is not None: + metadata["reported_residue_count"] = total + return metadata + + +def _parse_residue_line(line: str) -> Optional[Dict[str, Any]]: + if len(line) < 17: + return None + + dssp_index = _parse_int(line[0:5]) + if dssp_index is None: + return None + + residue_number = line[5:10].strip() + if not residue_number: + return None + + insertion_code = line[10:11].strip() + chain = line[11:12].strip() or "." + aa = line[13:14].strip() or "X" + if aa == "!": + return None + + ss = line[16:17].strip() or "C" + accessibility = _parse_int(line[34:38]) if len(line) >= 38 else None + bp1 = _parse_int(line[25:29]) if len(line) >= 29 else None + bp2 = _parse_int(line[29:33]) if len(line) >= 33 else None + + coords = [float(match.group(0)) for match in FLOAT_RE.finditer(line)] + x, y, z = (coords[-3:] if len(coords) >= 3 else (None, None, None)) + + residue_id = f"{chain}:{residue_number}{insertion_code}" + resseq_int = _parse_int(residue_number) + + return { + "dssp_index": dssp_index, + "residue_number": residue_number, + "resseq_int": resseq_int, + "insertion_code": insertion_code, + "chain": chain, + "aa": aa, + "ss": ss, + "ss_name": SS_NAMES.get(ss, "Coil"), + "ss_kind": _ss_kind(ss), + "accessibility": accessibility, + "bp1": bp1, + "bp2": bp2, + "x": x, + "y": y, + "z": z, + "residue_id": residue_id, + } + + +def parse_dssp(text: str) -> Dict[str, Any]: + """Parse a DSSP flatfile into residues, secondary-structure elements, and links.""" + lines = text.splitlines() + header_index = next( + (i for i, line in enumerate(lines) if line.lstrip().startswith("# RESIDUE")), + None, + ) + if header_index is None: + raise ValueError("Could not find the DSSP residue table header.") + + residues = [ + residue + for line in lines[header_index + 1 :] + if (residue := _parse_residue_line(line)) is not None + ] + if not residues: + raise ValueError("No DSSP residue rows were parsed from the file.") + + elements = _build_elements(residues) + links = _build_beta_links(residues, elements) + chains = sorted({residue["chain"] for residue in residues}) + metadata = _extract_metadata(lines[:header_index]) + + return { + "metadata": metadata, + "residues": residues, + "elements": elements, + "links": links, + "stats": { + "residue_count": len(residues), + "element_count": len(elements), + "helix_count": sum(1 for element in elements if element["type"] == "helix"), + "strand_count": sum(1 for element in elements if element["type"] == "strand"), + "chain_count": len(chains), + "chains": chains, + "beta_link_count": len(links), + }, + } + + +def _can_extend_element(element: Dict[str, Any], residue: Dict[str, Any]) -> bool: + last = element["residues"][-1] + return ( + residue["chain"] == element["chain"] + and residue["ss"] == element["ss_code"] + and residue["dssp_index"] == last["dssp_index"] + 1 + ) + + +def _build_elements(residues: List[Dict[str, Any]]) -> List[Dict[str, Any]]: + elements: List[Dict[str, Any]] = [] + active: Optional[Dict[str, Any]] = None + counters = {"helix": 0, "strand": 0} + + def close_active() -> None: + nonlocal active + if active is None: + return + residues_in_element = active.pop("residues") + counters[active["type"]] += 1 + prefix = "H" if active["type"] == "helix" else "S" + element_id = f"{prefix}{counters[active['type']]}" + first = residues_in_element[0] + last = residues_in_element[-1] + active.update( + { + "id": element_id, + "label": element_id, + "start_dssp": first["dssp_index"], + "end_dssp": last["dssp_index"], + "start_residue": first["residue_number"] + first["insertion_code"], + "end_residue": last["residue_number"] + last["insertion_code"], + "start_residue_id": first["residue_id"], + "end_residue_id": last["residue_id"], + "length": len(residues_in_element), + "sequence": "".join(residue["aa"] for residue in residues_in_element), + "residue_ids": [residue["residue_id"] for residue in residues_in_element], + "residue_indices": [ + residue["dssp_index"] for residue in residues_in_element + ], + "residue_numbers": [ + residue["residue_number"] + residue["insertion_code"] + for residue in residues_in_element + ], + "accessibility_mean": _mean( + residue["accessibility"] for residue in residues_in_element + ), + } + ) + elements.append(active) + active = None + + for residue in residues: + if residue["ss_kind"] not in {"helix", "strand"}: + close_active() + continue + + if active is not None and _can_extend_element(active, residue): + active["residues"].append(residue) + continue + + close_active() + active = { + "type": residue["ss_kind"], + "ss_code": residue["ss"], + "ss_name": residue["ss_name"], + "chain": residue["chain"], + "residues": [residue], + } + + close_active() + return elements + + +def _mean(values: Iterable[Optional[int]]) -> Optional[float]: + clean = [value for value in values if value is not None] + if not clean: + return None + return round(sum(clean) / len(clean), 1) + + +def _build_beta_links( + residues: List[Dict[str, Any]], elements: List[Dict[str, Any]] +) -> List[Dict[str, Any]]: + element_by_dssp: Dict[int, str] = {} + element_by_resseq: Dict[Tuple[str, int], str] = {} + + for element in elements: + if element["type"] != "strand": + continue + for dssp_index in element["residue_indices"]: + element_by_dssp[dssp_index] = element["id"] + for residue_number in element["residue_numbers"]: + resseq = _parse_int(residue_number) + if resseq is not None: + element_by_resseq[(element["chain"], resseq)] = element["id"] + + link_counts: Dict[Tuple[str, str], Dict[str, Any]] = {} + for residue in residues: + source = element_by_dssp.get(residue["dssp_index"]) + if not source: + continue + for partner in (residue["bp1"], residue["bp2"]): + if not partner: + continue + target = element_by_dssp.get(partner) or element_by_resseq.get( + (residue["chain"], partner) + ) + if not target or target == source: + continue + source_id, target_id = sorted((source, target)) + key = (source_id, target_id) + if key not in link_counts: + link_counts[key] = { + "source": source_id, + "target": target_id, + "count": 0, + "examples": [], + } + link_counts[key]["count"] += 1 + if len(link_counts[key]["examples"]) < 6: + link_counts[key]["examples"].append(residue["residue_id"]) + + return sorted( + link_counts.values(), + key=lambda link: (-link["count"], link["source"], link["target"]), + ) + + +def topology_from_dssp( + text: str, + name: str = "uploaded.dssp", + afdb_accession: Optional[str] = None, +) -> Dict[str, Any]: + topology = parse_dssp(text) + topology["name"] = name + if afdb_accession: + topology["afdb_accession"] = afdb_accession.strip() + return topology + + +def _guess_afdb_accession(name: str) -> str: + stem = Path(name).stem.upper() + if stem.startswith("AF-"): + parts = stem.split("-") + if len(parts) >= 2: + return parts[1] + match = re.search(r"\b[A-Z][A-Z0-9]{5,9}\b", stem) + return match.group(0) if match else "" + + +def _fetch_json(url: str) -> Any: + request = urllib.request.Request(url, headers={"User-Agent": "Scop3P-topology/1.0"}) + with urllib.request.urlopen(request, timeout=60) as response: + return json.loads(response.read().decode("utf-8")) + + +def _fetch_text(url: str) -> str: + request = urllib.request.Request(url, headers={"User-Agent": "Scop3P-topology/1.0"}) + with urllib.request.urlopen(request, timeout=120) as response: + return response.read().decode("utf-8", errors="replace") + + +def fetch_alphafold_cif(accession: str) -> Tuple[Dict[str, Any], str]: + accession = accession.strip() + if accession.upper().startswith("AF-"): + accession = _guess_afdb_accession(accession) or accession + if not accession: + raise ValueError("Enter a UniProt or AlphaFold DB accession first.") + api_url = f"https://alphafold.ebi.ac.uk/api/prediction/{accession}" + payload = _fetch_json(api_url) + record = payload[0] if isinstance(payload, list) and payload else payload + if not record: + raise ValueError(f"No AlphaFold DB prediction found for {accession}.") + cif_url = record.get("cifUrl") + if not cif_url: + raise ValueError(f"AlphaFold DB did not return a CIF URL for {accession}.") + return record, _fetch_text(cif_url) + + +def _cif_tokens(text: str) -> List[str]: + tokens: List[str] = [] + i = 0 + n = len(text) + at_line_start = True + while i < n: + char = text[i] + if char in " \t\r\n": + at_line_start = char in "\r\n" + i += 1 + continue + if char == "#": + while i < n and text[i] not in "\r\n": + i += 1 + at_line_start = True + continue + if char == ";" and at_line_start: + i += 1 + start = i + end = text.find("\n;", i) + if end == -1: + tokens.append(text[start:].strip()) + break + tokens.append(text[start:end].strip()) + i = end + 2 + at_line_start = False + continue + if char in {"'", '"'}: + quote = char + i += 1 + start = i + value_parts: List[str] = [] + while i < n: + if text[i] == quote and (i + 1 == n or text[i + 1] in " \t\r\n#"): + value_parts.append(text[start:i]) + i += 1 + break + i += 1 + else: + value_parts.append(text[start:i]) + tokens.append("".join(value_parts)) + at_line_start = False + continue + start = i + while i < n and text[i] not in " \t\r\n#": + i += 1 + tokens.append(text[start:i]) + at_line_start = False + return tokens + + +def _parse_cif_loops(text: str) -> Dict[str, List[Dict[str, str]]]: + tokens = _cif_tokens(text) + loops: Dict[str, List[Dict[str, str]]] = {} + i = 0 + while i < len(tokens): + if tokens[i].lower() != "loop_": + i += 1 + continue + i += 1 + headers: List[str] = [] + while i < len(tokens) and tokens[i].startswith("_"): + headers.append(tokens[i]) + i += 1 + if not headers: + continue + category = headers[0].split(".", 1)[0] + width = len(headers) + while i < len(tokens): + token = tokens[i] + if token.lower() == "loop_" or token.lower().startswith("data_"): + break + if token.startswith("_"): + break + row = tokens[i : i + width] + if len(row) < width: + break + loops.setdefault(category, []).append(dict(zip(headers, row))) + i += width + return loops + + +def _to_int(value: Any) -> Optional[int]: + if value in {None, "", ".", "?"}: + return None + try: + return int(str(value)) + except ValueError: + return None + + +def _to_float(value: Any) -> Optional[float]: + if value in {None, "", ".", "?"}: + return None + try: + return float(str(value)) + except ValueError: + return None + + +def _conf_kind(conf_type: str) -> Optional[str]: + value = conf_type.upper() + if value.startswith("HELX"): + return "helix" + if value.startswith("STRN"): + return "strand" + return None + + +def _distance(a: Dict[str, Any], b: Dict[str, Any]) -> float: + return math.sqrt( + (a["x"] - b["x"]) ** 2 + (a["y"] - b["y"]) ** 2 + (a["z"] - b["z"]) ** 2 + ) + + +def _dot(a: Tuple[float, float, float], b: Tuple[float, float, float]) -> float: + return a[0] * b[0] + a[1] * b[1] + a[2] * b[2] + + +def _vector_for_element(element: Dict[str, Any], residue_by_seq: Dict[int, Dict[str, Any]]) -> Tuple[float, float, float]: + start = residue_by_seq.get(element["start"]) + stop = residue_by_seq.get(element["stop"]) + if not start or not stop: + return (0.0, 1.0, 0.0) + return (stop["x"] - start["x"], stop["y"] - start["y"], stop["z"] - start["z"]) + + +def _strand_contacts( + elements: List[Dict[str, Any]], + residue_by_seq: Dict[int, Dict[str, Any]], +) -> List[Dict[str, Any]]: + strands = [element for element in elements if element["type"] == "strand"] + contacts: List[Dict[str, Any]] = [] + for i, left in enumerate(strands): + left_residues = [ + residue_by_seq[seq] + for seq in range(left["start"], left["stop"] + 1) + if seq in residue_by_seq + ] + for right in strands[i + 1 :]: + right_residues = [ + residue_by_seq[seq] + for seq in range(right["start"], right["stop"] + 1) + if seq in residue_by_seq + ] + examples: List[str] = [] + count = 0 + min_distance = None + for residue_a in left_residues: + for residue_b in right_residues: + if abs(residue_a["seq"] - residue_b["seq"]) < 3: + continue + distance = _distance(residue_a, residue_b) + if min_distance is None or distance < min_distance: + min_distance = distance + if distance <= 7.0: + count += 1 + if len(examples) < 6: + examples.append(f"{residue_a['chain']}:{residue_a['seq']}-{residue_b['seq']}") + if count: + orientation = ( + "parallel" + if _dot( + _vector_for_element(left, residue_by_seq), + _vector_for_element(right, residue_by_seq), + ) + >= 0 + else "antiparallel" + ) + contacts.append( + { + "source": left["id"], + "target": right["id"], + "count": count, + "orientation": orientation, + "min_distance": round(min_distance or 0.0, 2), + "examples": examples, + } + ) + return sorted(contacts, key=lambda item: (-item["count"], item["source"], item["target"])) + + +def _arrow_path(x: float, y: float, height: float, direction: int) -> List[float]: + shaft = 12.0 + head = 30.0 + if direction > 0: + return [ + x - shaft, + y, + x - shaft, + y + height - head, + x - head, + y + height - head, + x, + y + height, + x + head, + y + height - head, + x + shaft, + y + height - head, + x + shaft, + y, + ] + return [ + x + shaft, + y + height, + x + shaft, + y + head, + x + head, + y + head, + x, + y, + x - head, + y + head, + x - shaft, + y + head, + x - shaft, + y + height, + ] + + +def _endpoint(element: Dict[str, Any], which: str) -> Tuple[float, float]: + x = element["layout_x"] + y = element["layout_y"] + height = element["layout_h"] + direction = element["direction"] + if which == "start": + return (x, y) if direction > 0 else (x, y + height) + return (x, y + height) if direction > 0 else (x, y) + + +def _coil_path(start: Tuple[float, float], end: Tuple[float, float]) -> List[float]: + mid_y = (start[1] + end[1]) / 2 + return [start[0], start[1], start[0], mid_y, end[0], mid_y, end[0], end[1]] + + +def _sheet_components(strands: List[Dict[str, Any]], contacts: List[Dict[str, Any]]) -> List[List[str]]: + strand_ids = {strand["id"] for strand in strands} + adjacency: Dict[str, List[str]] = {strand_id: [] for strand_id in strand_ids} + for contact in contacts: + if contact["source"] in strand_ids and contact["target"] in strand_ids: + adjacency[contact["source"]].append(contact["target"]) + adjacency[contact["target"]].append(contact["source"]) + seen: set[str] = set() + components: List[List[str]] = [] + for strand in strands: + if strand["id"] in seen: + continue + stack = [strand["id"]] + seen.add(strand["id"]) + component: List[str] = [] + while stack: + current = stack.pop() + component.append(current) + for neighbor in adjacency[current]: + if neighbor not in seen: + seen.add(neighbor) + stack.append(neighbor) + components.append(component) + return components + + +def _order_sheet_component( + component: List[str], + elements_by_id: Dict[str, Dict[str, Any]], + contacts: List[Dict[str, Any]], +) -> List[str]: + if len(component) <= 1: + return component + weights: Dict[Tuple[str, str], int] = {} + degree: Dict[str, int] = {item: 0 for item in component} + for contact in contacts: + if contact["source"] in degree and contact["target"] in degree: + key = tuple(sorted((contact["source"], contact["target"]))) + weights[key] = contact["count"] + degree[contact["source"]] += 1 + degree[contact["target"]] += 1 + current = min(component, key=lambda item: (degree[item] != 1, elements_by_id[item]["start"])) + order = [current] + remaining = set(component) - {current} + while remaining: + candidates = [ + ( + weights.get(tuple(sorted((current, candidate))), 0), + -abs(elements_by_id[current]["start"] - elements_by_id[candidate]["start"]), + candidate, + ) + for candidate in remaining + ] + candidates.sort(reverse=True) + current = candidates[0][2] + order.append(current) + remaining.remove(current) + return order + + +def _build_pdbe_topology_paths( + elements: List[Dict[str, Any]], + residues: List[Dict[str, Any]], + contacts: List[Dict[str, Any]], +) -> Dict[str, Any]: + residue_by_seq = {residue["seq"]: residue for residue in residues} + elements_by_id = {element["id"]: element for element in elements} + strands = [element for element in elements if element["type"] == "strand"] + helices = [element for element in elements if element["type"] == "helix"] + components = _sheet_components(strands, contacts) + components.sort(key=lambda comp: min(elements_by_id[item]["start"] for item in comp)) + + strand_positions: Dict[str, Tuple[float, float, int]] = {} + y_base = 220.0 + x_cursor = 70.0 + for component in components: + order = _order_sheet_component(component, elements_by_id, contacts) + width = max(1, len(order)) + direction_by_id: Dict[str, int] = {order[0]: 1} + for index, strand_id in enumerate(order): + if strand_id not in direction_by_id: + direction_by_id[strand_id] = 1 if index % 2 == 0 else -1 + strand_positions[strand_id] = ( + x_cursor + index * 72.0, + y_base + (index % 2) * 8.0, + direction_by_id[strand_id], + ) + for contact in contacts: + if strand_id not in {contact["source"], contact["target"]}: + continue + neighbor = contact["target"] if contact["source"] == strand_id else contact["source"] + if neighbor not in component or neighbor in direction_by_id: + continue + direction_by_id[neighbor] = ( + direction_by_id[strand_id] + if contact["orientation"] == "parallel" + else -direction_by_id[strand_id] + ) + x_cursor += width * 72.0 + 76.0 + + sequence_min = min((element["start"] for element in elements), default=1) + sequence_max = max((element["stop"] for element in elements), default=1) + sequence_span = max(1, sequence_max - sequence_min) + for element in elements: + if element["type"] == "strand": + x, y, direction = strand_positions.get( + element["id"], + (70.0 + (element["start"] - sequence_min) * 3.0, y_base, 1), + ) + else: + midpoint = (element["start"] + element["stop"]) / 2 + x = 70.0 + ((midpoint - sequence_min) / sequence_span) * max(260.0, x_cursor - 120.0) + nearest_strand = min( + strands, + key=lambda strand: abs(((strand["start"] + strand["stop"]) / 2) - midpoint), + default=None, + ) + if nearest_strand and nearest_strand["id"] in strand_positions: + _, strand_y, _ = strand_positions[nearest_strand["id"]] + y = strand_y - 150.0 if element["start"] < nearest_strand["start"] else strand_y + 160.0 + else: + y = 80.0 + (len(helices) % 3) * 95.0 + direction = 1 if element["id"].endswith(("1", "3", "5", "7", "9")) else -1 + element["layout_x"] = round(x, 3) + element["layout_y"] = round(y, 3) + element["layout_h"] = round(max(70.0, min(150.0, 34.0 + element["length"] * 7.5)), 3) + element["direction"] = direction + + strands_data: List[Dict[str, Any]] = [] + helices_data: List[Dict[str, Any]] = [] + for element in elements: + if element["type"] == "strand": + strands_data.append( + { + "start": element["start"], + "stop": element["stop"], + "path": _arrow_path( + element["layout_x"], + element["layout_y"], + element["layout_h"], + element["direction"], + ), + } + ) + else: + start = _endpoint(element, "start") + end = _endpoint(element, "end") + helices_data.append( + { + "start": element["start"], + "stop": element["stop"], + "path": [start[0] - 18.0, start[1], end[0] + 18.0, end[1]], + "majoraxis": 18.0, + "minoraxis": 9.0, + } + ) + + coils_data: List[Dict[str, Any]] = [] + first_residue = residues[0]["seq"] + last_residue = residues[-1]["seq"] + if elements: + first = elements[0] + n_start = (_endpoint(first, "start")[0], _endpoint(first, "start")[1] + (-46 if first["direction"] > 0 else 46)) + n_has_residues = first["start"] > first_residue + coils_data.append( + { + "start": first_residue if n_has_residues else -1, + "stop": first["start"] - 1 if n_has_residues else -1, + "path": _coil_path(n_start, _endpoint(first, "start")), + } + ) + for left, right in zip(elements, elements[1:]): + start = left["stop"] + 1 + stop = right["start"] - 1 + coils_data.append( + { + "start": start if start <= stop else -1, + "stop": stop if start <= stop else -1, + "path": _coil_path(_endpoint(left, "end"), _endpoint(right, "start")), + } + ) + last = elements[-1] + c_end = (_endpoint(last, "end")[0], _endpoint(last, "end")[1] + (46 if last["direction"] > 0 else -46)) + c_has_residues = last["stop"] < last_residue + coils_data.append( + { + "start": last["stop"] + 1 if c_has_residues else -1, + "stop": last_residue if c_has_residues else -1, + "path": _coil_path(_endpoint(last, "end"), c_end), + } + ) + + all_xy = [] + for item in strands_data + helices_data + coils_data: + all_xy.extend(item["path"]) + xs = all_xy[0::2] or [0.0, 100.0] + ys = all_xy[1::2] or [0.0, 100.0] + return { + "strands": strands_data, + "coils": coils_data, + "terms": [ + {"type": "N", "resnum": str(first_residue), "start": -1, "stop": -1, "path": []}, + {"type": "C", "resnum": str(last_residue), "start": -1, "stop": -1, "path": []}, + ], + "helices": helices_data, + "extents": [min(xs), min(ys), max(xs), max(ys)], + } + + +def topology_from_alphafold_cif( + text: str, + name: str = "alphafold.cif", + afdb_metadata: Optional[Dict[str, Any]] = None, + chain_id: Optional[str] = None, +) -> Dict[str, Any]: + loops = _parse_cif_loops(text) + atom_rows = loops.get("_atom_site", []) + qa_rows = loops.get("_ma_qa_metric_local", []) + plddt_by_seq: Dict[int, float] = {} + for row in qa_rows: + seq = _to_int(row.get("_ma_qa_metric_local.label_seq_id")) + value = _to_float(row.get("_ma_qa_metric_local.metric_value")) + if seq is not None and value is not None: + plddt_by_seq[seq] = value + + residues_by_key: Dict[Tuple[str, int], Dict[str, Any]] = {} + for row in atom_rows: + atom_name = row.get("_atom_site.label_atom_id") or row.get("_atom_site.auth_atom_id") + if atom_name != "CA": + continue + chain = ( + row.get("_atom_site.label_asym_id") + or row.get("_atom_site.auth_asym_id") + or "A" + ) + seq = _to_int(row.get("_atom_site.label_seq_id") or row.get("_atom_site.auth_seq_id")) + if seq is None: + continue + x = _to_float(row.get("_atom_site.Cartn_x")) + y = _to_float(row.get("_atom_site.Cartn_y")) + z = _to_float(row.get("_atom_site.Cartn_z")) + if x is None or y is None or z is None: + continue + comp = row.get("_atom_site.label_comp_id") or row.get("_atom_site.auth_comp_id") or "UNK" + b_factor = _to_float(row.get("_atom_site.B_iso_or_equiv")) + residues_by_key[(chain, seq)] = { + "seq": seq, + "chain": chain, + "aa": AA3_TO_1.get(comp.upper(), "X"), + "comp_id": comp, + "x": x, + "y": y, + "z": z, + "plddt": plddt_by_seq.get(seq, b_factor), + "residue_id": f"{chain}:{seq}", + } + + if not residues_by_key: + raise ValueError("No CA atom coordinates were found in the mmCIF file.") + + chain_counts: Dict[str, int] = {} + for chain, _ in residues_by_key: + chain_counts[chain] = chain_counts.get(chain, 0) + 1 + selected_chain = chain_id or max(chain_counts, key=chain_counts.get) + residues = sorted( + [residue for (chain, _), residue in residues_by_key.items() if chain == selected_chain], + key=lambda residue: residue["seq"], + ) + residue_by_seq = {residue["seq"]: residue for residue in residues} + + conf_rows = loops.get("_struct_conf", []) + elements: List[Dict[str, Any]] = [] + counters = {"helix": 0, "strand": 0} + for row in conf_rows: + kind = _conf_kind(row.get("_struct_conf.conf_type_id", "")) + if kind not in {"helix", "strand"}: + continue + beg_chain = row.get("_struct_conf.beg_label_asym_id") or row.get("_struct_conf.beg_auth_asym_id") + end_chain = row.get("_struct_conf.end_label_asym_id") or row.get("_struct_conf.end_auth_asym_id") + if beg_chain != selected_chain or end_chain != selected_chain: + continue + start = _to_int(row.get("_struct_conf.beg_label_seq_id") or row.get("_struct_conf.beg_auth_seq_id")) + stop = _to_int(row.get("_struct_conf.end_label_seq_id") or row.get("_struct_conf.end_auth_seq_id")) + if start is None or stop is None or stop < start: + continue + if not any(seq in residue_by_seq for seq in range(start, stop + 1)): + continue + counters[kind] += 1 + element_id = ("H" if kind == "helix" else "S") + str(counters[kind]) + sequence = "".join(residue_by_seq[seq]["aa"] for seq in range(start, stop + 1) if seq in residue_by_seq) + elements.append( + { + "id": element_id, + "label": element_id, + "type": kind, + "chain": selected_chain, + "start": start, + "stop": stop, + "start_residue": str(start), + "end_residue": str(stop), + "start_residue_id": f"{selected_chain}:{start}", + "end_residue_id": f"{selected_chain}:{stop}", + "length": stop - start + 1, + "sequence": sequence, + "ss_code": "H" if kind == "helix" else "E", + "ss_name": "Alpha helix" if kind == "helix" else "Beta strand", + "residue_indices": list(range(start, stop + 1)), + "residue_ids": [f"{selected_chain}:{seq}" for seq in range(start, stop + 1)], + "residue_numbers": [str(seq) for seq in range(start, stop + 1)], + } + ) + elements.sort(key=lambda element: (element["start"], element["stop"])) + if not elements: + raise ValueError("No helix or strand records were found in _struct_conf.") + + contacts = _strand_contacts(elements, residue_by_seq) + pdbe_topology = _build_pdbe_topology_paths(elements, residues, contacts) + entry_id = ( + str(afdb_metadata.get("entryId") or afdb_metadata.get("modelEntityId")) + if afdb_metadata + else Path(name).stem + ) + entry_key = entry_id.lower() + sequence = ( + str(afdb_metadata.get("sequence") or afdb_metadata.get("uniprotSequence")) + if afdb_metadata + else "".join(residue["aa"] for residue in residues) + ) + uniprot = str(afdb_metadata.get("uniprotAccession") or "") if afdb_metadata else "" + metadata = { + "source": "AlphaFold DB mmCIF" if afdb_metadata else "Uploaded mmCIF", + "entry_id": entry_id, + "chain": selected_chain, + "uniprot": uniprot, + "cif_url": afdb_metadata.get("cifUrl") if afdb_metadata else None, + "model_created": afdb_metadata.get("modelCreatedDate") if afdb_metadata else None, + "latest_version": afdb_metadata.get("latestVersion") if afdb_metadata else None, + } + + mapping_records: Dict[str, Any] = {} + if uniprot: + mapping_records["UniProt"] = { + uniprot: { + "mappings": [ + { + "entity_id": "1", + "chain_id": selected_chain, + "start": {"residue_number": residues[0]["seq"]}, + "end": {"residue_number": residues[-1]["seq"]}, + } + ] + } + } + low_confidence_residues = [] + for residue in residues: + plddt = residue.get("plddt") + if plddt is None or plddt >= 70: + continue + label = "pLDDT <50" if plddt < 50 else "pLDDT 50-70" + low_confidence_residues.append( + {"residue_number": residue["seq"], "outlier_types": [label]} + ) + + pdbe_api_data = [ + {entry_key: [{"entity_id": "1", "sequence": sequence}]}, + {entry_key: mapping_records}, + {entry_key: {"1": {selected_chain: pdbe_topology}}}, + { + entry_key: { + "molecules": [ + { + "entity_id": "1", + "chains": [ + { + "chain_id": selected_chain, + "models": [{"model_id": 1, "residues": low_confidence_residues}], + } + ], + } + ] + } + }, + { + entry_key: { + "molecules": [ + { + "entity_id": "1", + "chains": [ + { + "chain_id": selected_chain, + "observed": [ + { + "start": {"residue_number": residues[0]["seq"]}, + "end": {"residue_number": residues[-1]["seq"]}, + } + ], + } + ], + } + ] + } + }, + ] + + return { + "name": name, + "metadata": metadata, + "residues": residues, + "elements": elements, + "links": contacts, + "pdbe_api_data": pdbe_api_data, + "pdbe_entry_id": entry_key, + "pdbe_entity_id": "1", + "pdbe_chain_id": selected_chain, + "afdb_accession": uniprot, + "cif_url": metadata["cif_url"], + "stats": { + "residue_count": len(residues), + "element_count": len(elements), + "helix_count": sum(1 for element in elements if element["type"] == "helix"), + "strand_count": sum(1 for element in elements if element["type"] == "strand"), + "chain_count": 1, + "chains": [selected_chain], + "beta_link_count": len(contacts), + }, + } + + +def _legacy_topology_html(topology: Dict[str, Any]) -> str: + root_id = "dssp-topology-" + uuid.uuid4().hex + data_id = root_id + "-data" + title = topology.get("name") or "DSSP topology" + metadata = topology.get("metadata", {}) + stats = topology["stats"] + subtitle = metadata.get("molecule") or metadata.get("header") or "Uploaded DSSP" + json_blob = json.dumps(topology, separators=(",", ":")).replace(" [element.id, element])); + const elementByResidue = new Map(); + let selectedId = null; + let transform = { x: 0, y: 0, k: 1 }; + let drag = null; + + data.elements.forEach((element) => { + element.residue_ids.forEach((residueId) => { + elementByResidue.set(residueId.toLowerCase(), element.id); + elementByResidue.set(residueId.split(":").pop().toLowerCase(), element.id); + }); + }); + + function esc(value) { + return String(value) + .replace(/&/g, "&") + .replace(//g, ">") + .replace(/"/g, """) + .replace(/'/g, "'"); + } + + function makeSvg(tag, attrs) { + const node = document.createElementNS("http://www.w3.org/2000/svg", tag); + Object.entries(attrs || {}).forEach(([key, value]) => { + if (value === null || value === undefined) return; + if (key === "textContent") node.textContent = value; + else node.setAttribute(key, value); + }); + return node; + } + + function layoutElements() { + const diagramWidth = 1180; + const left = 42; + const top = 54; + const gap = 54; + const rowGap = 118; + let x = left; + let y = top; + + data.elements.forEach((element, index) => { + const width = Math.max(58, Math.min(150, 28 + element.length * 4.6)); + const height = element.type === "helix" ? 27 : 29; + if (index > 0 && x + width + left > diagramWidth) { + x = left; + y += rowGap; + } + element.x = x; + element.y = y; + element.w = width; + element.h = height; + element.cx = x + width / 2; + element.cy = y + height / 2; + x += width + gap; + }); + + const diagramHeight = y + rowGap; + svg.setAttribute("viewBox", `0 0 ${diagramWidth} ${diagramHeight}`); + } + + function helixColor(code) { + if (code === "G") return "var(--helix-alt)"; + if (code === "I") return "var(--helix-pi)"; + return "var(--helix)"; + } + + function strandColor(code) { + if (code === "B") return "var(--strand-alt)"; + return "var(--strand)"; + } + + function connectorPath(a, b) { + const ax = a.x + a.w; + const ay = a.cy; + const bx = b.x; + const by = b.cy; + if (Math.abs(ay - by) < 2) { + return `M ${ax} ${ay} C ${ax + 22} ${ay}, ${bx - 22} ${by}, ${bx} ${by}`; + } + return `M ${ax} ${ay} C ${ax + 80} ${ay}, ${bx - 80} ${by}, ${bx} ${by}`; + } + + function linkPath(a, b) { + const lift = Math.abs(a.cy - b.cy) < 2 ? -58 : 0; + const midY = (a.cy + b.cy) / 2 + lift; + return `M ${a.cx} ${a.cy} C ${a.cx} ${midY}, ${b.cx} ${midY}, ${b.cx} ${b.cy}`; + } + + function drawConnectors() { + connectorsLayer.replaceChildren(); + for (let i = 0; i < data.elements.length - 1; i += 1) { + const a = data.elements[i]; + const b = data.elements[i + 1]; + if (a.chain !== b.chain) continue; + connectorsLayer.appendChild(makeSvg("path", { + class: "connector", + d: connectorPath(a, b) + })); + } + } + + function drawLinks() { + linksLayer.replaceChildren(); + data.links.forEach((link) => { + const a = elementById.get(link.source); + const b = elementById.get(link.target); + if (!a || !b) return; + const path = makeSvg("path", { + class: "beta-link", + d: linkPath(a, b), + "data-link": `${link.source}:${link.target}`, + "data-source": link.source, + "data-target": link.target, + "stroke-width": Math.min(7, 1.2 + Math.sqrt(link.count)) + }); + path.appendChild(makeSvg("title", { + textContent: `${link.source} to ${link.target}: ${link.count} DSSP bridge contacts` + })); + linksLayer.appendChild(path); + }); + } + + function drawHelix(group, element) { + const shape = makeSvg("rect", { + class: "sse-shape", + x: element.x, + y: element.y, + width: element.w, + height: element.h, + rx: element.h / 2, + fill: helixColor(element.ss_code) + }); + group.appendChild(shape); + + for (let x = element.x + 11; x < element.x + element.w - 5; x += 18) { + group.appendChild(makeSvg("path", { + class: "helix-stripe", + d: `M ${x} ${element.y + element.h - 4} C ${x + 7} ${element.y + 3}, ${x + 13} ${element.y + 3}, ${x + 18} ${element.y + element.h - 4}` + })); + } + + group.appendChild(makeSvg("rect", { + class: "selection-ring", + x: element.x - 5, + y: element.y - 5, + width: element.w + 10, + height: element.h + 10, + rx: element.h / 2 + 5 + })); + } + + function drawStrand(group, element) { + const head = Math.min(26, element.w * 0.35); + const points = [ + `${element.x},${element.y}`, + `${element.x + element.w - head},${element.y}`, + `${element.x + element.w},${element.y + element.h / 2}`, + `${element.x + element.w - head},${element.y + element.h}`, + `${element.x},${element.y + element.h}` + ].join(" "); + group.appendChild(makeSvg("polygon", { + class: "sse-shape", + points: points, + fill: strandColor(element.ss_code) + })); + group.appendChild(makeSvg("rect", { + class: "selection-ring", + x: element.x - 5, + y: element.y - 5, + width: element.w + 10, + height: element.h + 10, + rx: 6 + })); + } + + function drawElements() { + elementsLayer.replaceChildren(); + data.elements.forEach((element) => { + const group = makeSvg("g", { + class: "sse", + "data-element-id": element.id, + tabindex: 0 + }); + if (element.type === "helix") drawHelix(group, element); + else drawStrand(group, element); + + group.appendChild(makeSvg("text", { + class: "element-label", + x: element.cx, + y: element.y - 11, + textContent: `${element.id} (${element.ss_code})` + })); + group.appendChild(makeSvg("text", { + class: "residue-label", + x: element.cx, + y: element.y + element.h + 17, + textContent: `${element.chain}:${element.start_residue}-${element.end_residue}` + })); + + group.addEventListener("mouseenter", (event) => showTooltip(event, element)); + group.addEventListener("mousemove", (event) => moveTooltip(event)); + group.addEventListener("mouseleave", hideTooltip); + group.addEventListener("click", (event) => { + event.stopPropagation(); + selectElement(element.id); + }); + group.addEventListener("keydown", (event) => { + if (event.key === "Enter" || event.key === " ") selectElement(element.id); + }); + elementsLayer.appendChild(group); + }); + } + + function showTooltip(event, element) { + tooltip.innerHTML = ` + ${esc(element.id)} ${esc(element.ss_name)}
+ Chain ${esc(element.chain)}, residues ${esc(element.start_residue)}-${esc(element.end_residue)}
+ Length ${element.length}; DSSP ${element.start_dssp}-${element.end_dssp}
+ ${esc(element.sequence.slice(0, 80))}${element.sequence.length > 80 ? "..." : ""} + `; + tooltip.style.display = "block"; + moveTooltip(event); + } + + function moveTooltip(event) { + const box = root.getBoundingClientRect(); + tooltip.style.left = `${event.clientX - box.left + 14}px`; + tooltip.style.top = `${event.clientY - box.top + 14}px`; + } + + function hideTooltip() { + tooltip.style.display = "none"; + } + + function selectElement(elementId) { + selectedId = elementId; + const element = elementById.get(elementId); + root.querySelectorAll("[data-element-id]").forEach((node) => { + node.classList.toggle("selected", node.getAttribute("data-element-id") === elementId); + }); + root.querySelectorAll("[data-link]").forEach((node) => { + const linked = node.getAttribute("data-source") === elementId || node.getAttribute("data-target") === elementId; + node.classList.toggle("link-selected", linked); + }); + if (!element) return; + const acc = element.accessibility_mean === null || element.accessibility_mean === undefined + ? "not available" + : element.accessibility_mean; + details.innerHTML = ` + ${esc(element.id)} ${esc(element.ss_name)} + chain ${esc(element.chain)}, residues ${esc(element.start_residue)}-${esc(element.end_residue)}, + DSSP rows ${element.start_dssp}-${element.end_dssp}, length ${element.length}, + mean ACC ${esc(acc)}. +
Sequence: ${esc(element.sequence)} + `; + } + + function jumpToResidue() { + const query = residueInput.value.trim().toLowerCase(); + if (!query) return; + const direct = elementByResidue.get(query); + const withChain = query.includes(":") ? query : null; + let elementId = direct; + if (!elementId && withChain) elementId = elementByResidue.get(withChain); + if (!elementId) { + details.innerHTML = `No secondary-structure element contains residue ${esc(residueInput.value)}.`; + return; + } + selectElement(elementId); + } + + function applyTransform() { + viewport.setAttribute("transform", `translate(${transform.x} ${transform.y}) scale(${transform.k})`); + } + + function zoomBy(factor) { + transform.k = Math.max(0.25, Math.min(5, transform.k * factor)); + applyTransform(); + } + + function resetView() { + transform = { x: 0, y: 0, k: 1 }; + applyTransform(); + } + + function downloadJson() { + const blob = new Blob([JSON.stringify(data, null, 2)], { type: "application/json" }); + const url = URL.createObjectURL(blob); + const link = document.createElement("a"); + link.href = url; + link.download = `${(data.name || "dssp-topology").replace(/\W+/g, "_")}.json`; + document.body.appendChild(link); + link.click(); + link.remove(); + URL.revokeObjectURL(url); + } + + root.querySelector("[data-action='zoom-in']").addEventListener("click", () => zoomBy(1.2)); + root.querySelector("[data-action='zoom-out']").addEventListener("click", () => zoomBy(1 / 1.2)); + root.querySelector("[data-action='reset']").addEventListener("click", resetView); + root.querySelector("[data-action='jump']").addEventListener("click", jumpToResidue); + root.querySelector("[data-action='download-json']").addEventListener("click", downloadJson); + residueInput.addEventListener("keydown", (event) => { + if (event.key === "Enter") jumpToResidue(); + }); + linkToggle.addEventListener("change", () => { + linksLayer.style.display = linkToggle.checked ? "" : "none"; + }); + labelToggle.addEventListener("change", () => { + const display = labelToggle.checked ? "" : "none"; + root.querySelectorAll(".element-label,.residue-label").forEach((node) => { + node.style.display = display; + }); + }); + + svg.addEventListener("wheel", (event) => { + event.preventDefault(); + zoomBy(event.deltaY < 0 ? 1.08 : 1 / 1.08); + }, { passive: false }); + svg.addEventListener("mousedown", (event) => { + if (event.button !== 0) return; + drag = { x: event.clientX, y: event.clientY, moved: false }; + svg.classList.add("is-dragging"); + }); + window.addEventListener("mousemove", (event) => { + if (!drag) return; + const dx = event.clientX - drag.x; + const dy = event.clientY - drag.y; + if (Math.abs(dx) + Math.abs(dy) > 2) drag.moved = true; + transform.x += dx; + transform.y += dy; + drag.x = event.clientX; + drag.y = event.clientY; + applyTransform(); + }); + window.addEventListener("mouseup", () => { + drag = null; + svg.classList.remove("is-dragging"); + }); + svg.addEventListener("click", () => { + if (selectedId) return; + root.querySelectorAll(".selected").forEach((node) => node.classList.remove("selected")); + }); + + layoutElements(); + drawConnectors(); + drawLinks(); + drawElements(); + applyTransform(); +})(); +""".replace( + "__ROOT_ID__", root_id + ).replace( + "__DATA_ID__", data_id + ) + + return f""" +
+ +
+
+
+
{_html_escape(title)}
+
{_html_escape(subtitle)}
+
+ {stats["residue_count"]} residues; + {stats["helix_count"]} helices; + {stats["strand_count"]} strands; + {stats["beta_link_count"]} beta links; + chains: {_html_escape(", ".join(stats["chains"]))} +
+
+
+ + + + + + + + +
+
+
+ + + + + + + +
+
+
+ Hover over an element for DSSP details. Click an element to keep its sequence and bridge links selected. +
+
+ + +
+""" + + +def _clean_alphafold_topology_html(topology: Dict[str, Any]) -> str: + root_id = "clean-topology-" + uuid.uuid4().hex + data_id = root_id + "-data" + title = topology.get("name") or topology.get("pdbe_entry_id") or "Topology" + stats = topology["stats"] + metadata = topology.get("metadata", {}) + subtitle = metadata.get("source") or "Generated topology" + json_blob = json.dumps(topology, separators=(",", ":")).replace(" +
Mol* 3D view
+
+
Loading Mol*...
+ + """ + + css = """ +#__ROOT_ID__ { + --ink: #18202a; + --muted: #627080; + --line: #d5dde7; + --panel: #f4f7fa; + --helix: #d95f72; + --strand: #2f7fbf; + --strand-dark: #1f5e94; + --sheet: #e7f2fb; + --select: #173f8a; + color: var(--ink); + font-family: Inter, "Segoe UI", Arial, sans-serif; + line-height: 1.35; +} +#__ROOT_ID__ .clean-shell { + background: #ffffff; + border: 1px solid #c9d4c1; +} +#__ROOT_ID__ .clean-header { + background: #dcefd4; + border-bottom: 1px solid #b9d9ad; + padding: 12px 14px; +} +#__ROOT_ID__ .title { + color: #2f6f39; + font-size: 21px; + font-weight: 700; +} +#__ROOT_ID__ .subtitle, +#__ROOT_ID__ .stats { + color: #3e5945; + font-size: 12px; + margin-top: 3px; +} +#__ROOT_ID__ .clean-grid { + display: grid; + gap: 12px; + grid-template-columns: minmax(520px, 1.15fr) minmax(360px, 0.85fr); + padding: 12px; +} +#__ROOT_ID__ .topology-panel { + border: 1px solid #bfc8d3; + min-width: 0; +} +#__ROOT_ID__ .toolbar { + align-items: center; + background: #68717a; + color: #ffffff; + display: flex; + flex-wrap: wrap; + gap: 7px; + min-height: 42px; + padding: 6px 10px; +} +#__ROOT_ID__ .toolbar .label { + font-size: 15px; + font-weight: 600; + margin-right: auto; + min-width: 190px; +} +#__ROOT_ID__ button, +#__ROOT_ID__ select, +#__ROOT_ID__ input[type="text"] { + background: #ffffff; + border: 1px solid #c8d0d8; + border-radius: 4px; + color: #111827; + font: inherit; + font-size: 12px; + min-height: 28px; +} +#__ROOT_ID__ button { + cursor: pointer; + padding: 3px 8px; +} +#__ROOT_ID__ input[type="text"] { + width: 120px; + padding: 3px 7px; +} +#__ROOT_ID__ select { + padding: 3px 7px; +} +#__ROOT_ID__ .toggle { + align-items: center; + display: inline-flex; + font-size: 12px; + gap: 4px; + min-height: 28px; + white-space: nowrap; +} +#__ROOT_ID__ .viewer-wrap { + background: linear-gradient(#ffffff, #fbfcfe); + height: 690px; + position: relative; +} +#__ROOT_ID__ svg { + cursor: grab; + display: block; + height: 100%; + width: 100%; +} +#__ROOT_ID__ svg.dragging { + cursor: grabbing; +} +#__ROOT_ID__ .domain-band { + fill: #f8fafc; + stroke: #edf1f5; + stroke-width: 1; +} +#__ROOT_ID__ .domain-label { + fill: #7b8794; + font-size: 11px; + font-weight: 700; + letter-spacing: 0; +} +#__ROOT_ID__ .seq-connector { + fill: none; + opacity: 0.78; + stroke: #1f2933; + stroke-linecap: round; + stroke-linejoin: round; + stroke-width: 1.7; +} +#__ROOT_ID__ .contact-link { + fill: none; + opacity: 0.22; + stroke: #2f7fbf; + stroke-linecap: round; +} +#__ROOT_ID__ .contact-link.hot { + opacity: 0.9; + stroke: #173f8a; +} +#__ROOT_ID__ .sse { + cursor: pointer; + outline: none; +} +#__ROOT_ID__ .sse-shape { + filter: drop-shadow(0 1px 1px rgba(17, 24, 39, 0.12)); + stroke: rgba(17, 24, 39, 0.35); + stroke-width: 1.2; +} +#__ROOT_ID__ .helix .sse-shape { + fill: var(--helix); +} +#__ROOT_ID__ .strand .sse-shape { + fill: var(--strand); +} +#__ROOT_ID__ .sse:hover .sse-shape, +#__ROOT_ID__ .sse.selected .sse-shape { + stroke: var(--select); + stroke-width: 2.4; +} +#__ROOT_ID__ .sse.molstar-hot .sse-shape { + stroke: #f59e0b; + stroke-width: 2.4; +} +#__ROOT_ID__ .sheet-chip { + fill: #ffffff; + opacity: 0.78; + stroke: rgba(47, 127, 191, 0.38); + stroke-width: 1; +} +#__ROOT_ID__ .sheet-text { + fill: #265f8f; + font-size: 8px; + font-weight: 700; + pointer-events: none; + text-anchor: middle; +} +#__ROOT_ID__ .sse-label { + fill: #111827; + font-size: 11px; + font-weight: 800; + pointer-events: none; + text-anchor: middle; +} +#__ROOT_ID__ .range-label { + fill: #667280; + font-size: 9px; + pointer-events: none; + text-anchor: middle; +} +#__ROOT_ID__ .residue-tick { + display: none; + pointer-events: none; + stroke: #ffe66d; + stroke-width: 2.4; +} +#__ROOT_ID__ .sse.has-residue .residue-tick { + display: block; +} +#__ROOT_ID__ .terminus { + font-size: 15px; + font-weight: 800; + pointer-events: none; +} +#__ROOT_ID__ .terminus.n { + fill: #0b39ff; +} +#__ROOT_ID__ .terminus.c { + fill: #e11919; +} +#__ROOT_ID__ .tooltip { + background: #111827; + border-radius: 5px; + color: #ffffff; + display: none; + font-size: 12px; + max-width: 320px; + padding: 8px 10px; + pointer-events: none; + position: absolute; + z-index: 5; +} +#__ROOT_ID__ .details { + border-top: 1px solid #d7dfe8; + color: var(--muted); + font-size: 13px; + min-height: 46px; + padding: 10px 12px; +} +#__ROOT_ID__ .details strong { + color: var(--ink); +} +#__ROOT_ID__ .details code { + background: #eef2f7; + border-radius: 3px; + color: #344154; + padding: 1px 4px; +} +#__ROOT_ID__ .clean-molstar-panel { + border: 1px solid #b9c5d1; + min-width: 0; + position: relative; +} +#__ROOT_ID__ .panel-bar { + background: #f0f3f6; + border-bottom: 1px solid #c9d1da; + font-size: 13px; + min-height: 34px; + padding: 8px 10px; +} +#__ROOT_ID__ .molstar-stage { + height: 690px; + position: relative; +} +#__ROOT_ID__ .molstar-stage iframe { + border: 0; + display: block; + height: 100%; + width: 100%; +} +#__ROOT_ID__ .molstar-status { + background: rgba(255, 255, 255, 0.92); + bottom: 8px; + color: #344154; + font-size: 12px; + left: 8px; + padding: 4px 6px; + position: absolute; +} +@media (max-width: 1050px) { + #__ROOT_ID__ .clean-grid { + grid-template-columns: 1fr; + } +} +@media (max-width: 760px) { + #__ROOT_ID__ .clean-grid { + padding: 8px; + } + #__ROOT_ID__ .viewer-wrap, + #__ROOT_ID__ .molstar-stage { + height: 560px; + } +} +""".replace( + "__ROOT_ID__", root_id + ) + + script = r""" +(function () { + const root = document.getElementById("__ROOT_ID__"); + const data = JSON.parse(document.getElementById("__DATA_ID__").textContent); + const svg = root.querySelector("svg"); + const viewport = root.querySelector("[data-role='viewport']"); + const bandsLayer = root.querySelector("[data-role='bands']"); + const connectorsLayer = root.querySelector("[data-role='connectors']"); + const linksLayer = root.querySelector("[data-role='links']"); + const elementsLayer = root.querySelector("[data-role='elements']"); + const tooltip = root.querySelector("[data-role='tooltip']"); + const details = root.querySelector("[data-role='details']"); + const linkToggle = root.querySelector("[data-role='toggle-links']"); + const labelToggle = root.querySelector("[data-role='toggle-labels']"); + const clickMode = root.querySelector("[data-role='click-mode']"); + const residueInput = root.querySelector("[data-role='residue-input']"); + const molstarNode = root.querySelector("[data-role='molstar']"); + const molstarStatus = root.querySelector("[data-role='molstar-status']"); + const residues = data.residues || []; + const residueBySeq = new Map(residues.map((residue) => [Number(residue.seq), residue])); + const elementById = new Map(data.elements.map((element) => [element.id, element])); + const elementByResidue = new Map(); + let selectedId = null; + let transform = { x: 0, y: 0, k: 1 }; + let drag = null; + let molstarViewer = null; + let lastMolstarHit = ""; + const MOLSTAR_BASE_GREY = 0xb8bec7; + const MOLSTAR_ACTIVE_RED = 0xe11919; + const SHEET_PALETTE = [ + "#f2a541", "#84cce6", "#f2644a", "#80b86c", "#9a86d4", + "#d99a5f", "#4aa3a2", "#c879b2", "#7da0d8", "#d4b94f" + ]; + + data.elements.forEach((element) => { + element.display_id = element.type === "strand" + ? element.id.replace(/^S/, "E") + : element.id; + element.residue_indices.forEach((seq) => { + elementByResidue.set(String(seq).toLowerCase(), element.id); + elementByResidue.set(`${element.chain}:${seq}`.toLowerCase(), element.id); + }); + }); + + function esc(value) { + return String(value ?? "") + .replace(/&/g, "&") + .replace(//g, ">") + .replace(/"/g, """) + .replace(/'/g, "'"); + } + + function clamp(value, min, max) { + return Math.max(min, Math.min(max, value)); + } + + function makeSvg(tag, attrs) { + const node = document.createElementNS("http://www.w3.org/2000/svg", tag); + Object.entries(attrs || {}).forEach(([key, value]) => { + if (value === null || value === undefined) return; + if (key === "textContent") node.textContent = value; + else node.setAttribute(key, value); + }); + return node; + } + + function sheetGroups() { + const strandIds = new Set(data.elements.filter((item) => item.type === "strand").map((item) => item.id)); + const adjacency = new Map([...strandIds].map((id) => [id, []])); + data.links.forEach((link) => { + if (!strandIds.has(link.source) || !strandIds.has(link.target)) return; + adjacency.get(link.source).push(link.target); + adjacency.get(link.target).push(link.source); + }); + const groups = []; + const seen = new Set(); + data.elements.forEach((element) => { + if (element.type !== "strand" || seen.has(element.id)) return; + const stack = [element.id]; + const group = []; + seen.add(element.id); + while (stack.length) { + const current = stack.pop(); + group.push(current); + adjacency.get(current).forEach((next) => { + if (!seen.has(next)) { + seen.add(next); + stack.push(next); + } + }); + } + groups.push(group.sort((a, b) => elementById.get(a).start - elementById.get(b).start)); + }); + groups.sort((a, b) => elementById.get(a[0]).start - elementById.get(b[0]).start); + return groups; + } + + const sheetIndexById = new Map(); + sheetGroups().forEach((group, index) => { + group.forEach((id) => sheetIndexById.set(id, index + 1)); + }); + + function strandFill(element) { + const sheetNo = sheetIndexById.get(element.id); + if (!sheetNo) return "#7da9c7"; + return SHEET_PALETTE[(sheetNo - 1) % SHEET_PALETTE.length]; + } + + function layout() { + const columns = data.elements.length > 85 ? 12 : data.elements.length > 55 ? 10 : 9; + const cellW = 98; + const rowH = 154; + const left = 76; + const top = 78; + const rows = Math.ceil(data.elements.length / columns); + + data.elements.forEach((element, index) => { + const row = Math.floor(index / columns); + const rawCol = index % columns; + const col = row % 2 === 0 ? rawCol : columns - rawCol - 1; + const local = row % 2 === 0 ? rawCol : columns - rawCol - 1; + const len = element.stop - element.start + 1; + element.row = row; + element.col = col; + element.w = element.type === "helix" ? 36 : 42; + element.h = clamp(44 + len * 3.8, 56, 104); + element.x = left + col * cellW; + element.y = top + row * rowH + (element.type === "helix" ? 6 : 0) + ((local % 2) - 0.5) * 5; + element.direction = (index + row) % 2 === 0 ? 1 : -1; + element.cx = element.x + element.w / 2; + element.cy = element.y + element.h / 2; + }); + + const width = left * 2 + (columns - 1) * cellW + 104; + const height = top + rows * rowH + 64; + svg.setAttribute("viewBox", `0 0 ${width} ${height}`); + svg.dataset.viewWidth = width; + svg.dataset.viewHeight = height; + } + + function startPoint(element) { + return element.direction > 0 + ? { x: element.cx, y: element.y } + : { x: element.cx, y: element.y + element.h }; + } + + function endPoint(element) { + return element.direction > 0 + ? { x: element.cx, y: element.y + element.h } + : { x: element.cx, y: element.y }; + } + + function outsideTerminal(element, terminal) { + const point = terminal === "start" ? startPoint(element) : endPoint(element); + const isTop = Math.abs(point.y - element.y) < Math.abs(point.y - (element.y + element.h)); + return { + x: point.x, + y: point.y + (isTop ? -16 : 16) + }; + } + + function pathForConnector(a, b) { + const start = endPoint(a); + const end = startPoint(b); + const startOut = outsideTerminal(a, "end"); + const endOut = outsideTerminal(b, "start"); + const viewWidth = Number(svg.dataset.viewWidth) || 1200; + const routeX = a.row === b.row + ? (a.cx < b.cx + ? (a.x + a.w + b.x) / 2 + : (b.x + b.w + a.x) / 2) + : (a.cx > viewWidth / 2 ? viewWidth - 42 : 42); + return [ + `M ${start.x} ${start.y}`, + `L ${startOut.x} ${startOut.y}`, + `L ${routeX} ${startOut.y}`, + `L ${routeX} ${endOut.y}`, + `L ${endOut.x} ${endOut.y}`, + `L ${end.x} ${end.y}` + ].join(" "); + } + + function pathForContact(a, b) { + const dx = Math.abs(a.cx - b.cx); + const lift = Math.max(26, Math.min(88, dx * 0.22)); + const sameRow = Math.abs(a.cy - b.cy) < 80; + const midY = sameRow ? Math.min(a.y, b.y) - lift : (a.cy + b.cy) / 2; + return `M ${a.cx} ${a.cy} C ${a.cx} ${midY}, ${b.cx} ${midY}, ${b.cx} ${b.cy}`; + } + + function strandPoints(element) { + const x = element.x; + const y = element.y; + const w = element.w; + const h = element.h; + const head = Math.min(30, Math.max(20, h * 0.26)); + const inset = Math.max(7, w * 0.24); + if (element.direction > 0) { + return [ + `${x + inset},${y}`, + `${x + w - inset},${y}`, + `${x + w - inset},${y + h - head}`, + `${x + w},${y + h - head}`, + `${x + w / 2},${y + h}`, + `${x},${y + h - head}`, + `${x + inset},${y + h - head}` + ].join(" "); + } + return [ + `${x + w / 2},${y}`, + `${x + w},${y + head}`, + `${x + w - inset},${y + head}`, + `${x + w - inset},${y + h}`, + `${x + inset},${y + h}`, + `${x + inset},${y + head}`, + `${x},${y + head}` + ].join(" "); + } + + function drawBands() { + bandsLayer.replaceChildren(); + const rows = new Map(); + data.elements.forEach((element) => { + const rowKey = element.row; + if (!rows.has(rowKey)) rows.set(rowKey, []); + rows.get(rowKey).push(element); + }); + rows.forEach((items, rowKey) => { + const minX = Math.min(...items.map((item) => item.x)) - 24; + const maxX = Math.max(...items.map((item) => item.x + item.w)) + 24; + const y = Math.min(...items.map((item) => item.y)) - 42; + const h = Math.max(...items.map((item) => item.y + item.h)) - y + 38; + bandsLayer.appendChild(makeSvg("rect", { + class: "domain-band", + x: minX, + y, + width: maxX - minX, + height: h, + rx: 8 + })); + bandsLayer.appendChild(makeSvg("text", { + class: "domain-label", + x: minX + 10, + y: y + 18, + textContent: `segment ${rowKey + 1}` + })); + }); + } + + function drawConnectors() { + connectorsLayer.replaceChildren(); + for (let i = 0; i < data.elements.length - 1; i += 1) { + connectorsLayer.appendChild(makeSvg("path", { + class: "seq-connector", + d: pathForConnector(data.elements[i], data.elements[i + 1]) + })); + } + if (!data.elements.length) return; + const first = startPoint(data.elements[0]); + const last = endPoint(data.elements[data.elements.length - 1]); + connectorsLayer.appendChild(makeSvg("text", { + class: "terminus n", + x: first.x - 18, + y: first.y + 5, + textContent: "N" + })); + connectorsLayer.appendChild(makeSvg("text", { + class: "terminus c", + x: last.x + 14, + y: last.y + 5, + textContent: "C" + })); + } + + function drawLinks() { + linksLayer.replaceChildren(); + data.links.forEach((link) => { + const a = elementById.get(link.source); + const b = elementById.get(link.target); + if (!a || !b) return; + const path = makeSvg("path", { + class: "contact-link", + d: pathForContact(a, b), + "data-source": link.source, + "data-target": link.target, + "stroke-width": Math.min(4.5, 1 + Math.sqrt(link.count) / 2.4) + }); + path.appendChild(makeSvg("title", { + textContent: `${a.display_id} to ${b.display_id}: ${link.count} inferred contacts` + })); + linksLayer.appendChild(path); + }); + linksLayer.style.display = linkToggle.checked ? "" : "none"; + } + + function drawElements() { + elementsLayer.replaceChildren(); + data.elements.forEach((element) => { + const group = makeSvg("g", { + class: `sse ${element.type}`, + "data-element-id": element.id, + tabindex: 0 + }); + if (element.type === "helix") { + group.appendChild(makeSvg("rect", { + class: "sse-shape", + x: element.x, + y: element.y, + width: element.w, + height: element.h, + rx: element.w / 2, + ry: element.w / 2, + style: "fill: var(--helix)" + })); + } else { + group.appendChild(makeSvg("polygon", { + class: "sse-shape", + points: strandPoints(element), + style: `fill: ${strandFill(element)}` + })); + const sheetNo = sheetIndexById.get(element.id); + if (sheetNo) { + group.appendChild(makeSvg("rect", { + class: "sheet-chip", + x: element.x + 5, + y: element.y + element.h / 2 - 8, + width: element.w - 10, + height: 16, + rx: 6 + })); + group.appendChild(makeSvg("text", { + class: "sheet-text", + x: element.cx, + y: element.y + element.h / 2 + 3, + textContent: `B${sheetNo}` + })); + } + } + group.appendChild(makeSvg("line", { + class: "residue-tick", + x1: element.x - 6, + x2: element.x + element.w + 6, + y1: element.cy, + y2: element.cy + })); + group.appendChild(makeSvg("text", { + class: "sse-label", + x: element.cx, + y: element.y - 10, + textContent: element.display_id + })); + group.appendChild(makeSvg("text", { + class: "range-label", + x: element.cx, + y: element.y + element.h + 14, + textContent: `${element.start}-${element.stop}` + })); + + group.addEventListener("mouseenter", (event) => showResidue(event, element, group)); + group.addEventListener("mousemove", (event) => showResidue(event, element, group)); + group.addEventListener("mouseleave", () => { + group.classList.remove("has-residue"); + tooltip.style.display = "none"; + try { molstarViewer?.plugin?.managers?.interactivity?.clearHighlights?.(); } catch (error) {} + }); + group.addEventListener("click", (event) => { + event.stopPropagation(); + selectElement(element.id, residueAtEvent(event, element)); + }); + group.addEventListener("keydown", (event) => { + if (event.key === "Enter" || event.key === " ") selectElement(element.id, residueBySeq.get(element.start)); + }); + elementsLayer.appendChild(group); + }); + } + + function residueAtEvent(event, element) { + const count = Math.max(1, element.stop - element.start + 1); + const point = svg.createSVGPoint(); + point.x = event.clientX; + point.y = event.clientY; + const matrix = viewport.getScreenCTM(); + if (!matrix) return residueBySeq.get(element.start); + const local = point.matrixTransform(matrix.inverse()); + const t = clamp((local.y - element.y) / element.h, 0, 1); + const oriented = element.direction > 0 ? t : 1 - t; + const seq = element.start + Math.round(oriented * (count - 1)); + return residueBySeq.get(seq) || residueBySeq.get(element.start); + } + + function updateTick(group, element, residue) { + if (!residue) return; + const count = Math.max(1, element.stop - element.start); + const t = count === 0 ? 0.5 : (residue.seq - element.start) / count; + const oriented = element.direction > 0 ? t : 1 - t; + const y = element.y + clamp(oriented, 0, 1) * element.h; + const tick = group.querySelector(".residue-tick"); + tick.setAttribute("y1", y); + tick.setAttribute("y2", y); + group.classList.add("has-residue"); + } + + function showResidue(event, element, group) { + const residue = residueAtEvent(event, element); + updateTick(group, element, residue); + if (!residue) return; + const plddt = residue.plddt == null ? "not available" : Number(residue.plddt).toFixed(2); + const sheetNo = sheetIndexById.get(element.id); + tooltip.innerHTML = ` + ${esc(residue.residue_id)} ${esc(residue.aa)}
+ ${esc(element.display_id)} ${esc(element.ss_name)}${sheetNo ? `, sheet B${sheetNo}` : ""}
+ Residues ${esc(element.start)}-${esc(element.stop)}; pLDDT ${esc(plddt)} + `; + tooltip.style.display = "block"; + const box = root.getBoundingClientRect(); + tooltip.style.left = `${event.clientX - box.left + 14}px`; + tooltip.style.top = `${event.clientY - box.top + 14}px`; + highlightMolstarResidue(residue, "highlight"); + } + + function nodeForElement(elementId) { + let found = null; + root.querySelectorAll("[data-element-id]").forEach((node) => { + if (node.getAttribute("data-element-id") === elementId) found = node; + }); + return found; + } + + function elementForSeq(seq) { + const number = Number(seq); + return data.elements.find((element) => number >= element.start && number <= element.stop); + } + + function sheetElementsFor(element) { + if (!element || element.type !== "strand") return element ? [element] : []; + const sheetNo = sheetIndexById.get(element.id); + if (!sheetNo) return [element]; + return data.elements.filter((item) => item.type === "strand" && sheetIndexById.get(item.id) === sheetNo); + } + + function selectionFor(element, residue, requestedMode) { + const mode = requestedMode || clickMode?.value || "residue"; + if (mode === "residue" && residue) { + return { mode: "residue", elements: element ? [element] : [] }; + } + if (mode === "sheet" && element?.type === "strand") { + return { mode: "sheet", elements: sheetElementsFor(element) }; + } + return { mode: "range", elements: element ? [element] : [] }; + } + + function selectElement(elementId, residue, options = {}) { + selectedId = elementId; + const element = elementById.get(elementId); + const selection = selectionFor(element, residue, options.mode); + const selectedIds = new Set(selection.elements.map((item) => item.id)); + root.querySelectorAll("[data-element-id]").forEach((node) => { + const id = node.getAttribute("data-element-id"); + node.classList.toggle("selected", selectedIds.has(id)); + node.classList.remove("molstar-hot"); + }); + root.querySelectorAll(".contact-link").forEach((node) => { + const linked = selectedIds.has(node.getAttribute("data-source")) || selectedIds.has(node.getAttribute("data-target")); + node.classList.toggle("hot", linked); + }); + if (!element) return; + const linked = data.links + .filter((link) => selectedIds.has(link.source) || selectedIds.has(link.target)) + .map((link) => { + const other = selectedIds.has(link.source) ? link.target : link.source; + return elementById.get(other)?.display_id || other; + }) + .filter((id, index, list) => list.indexOf(id) === index); + const sheetNo = sheetIndexById.get(element.id); + const selectionLabel = selection.mode === "residue" + ? "Mol*: residue" + : selection.mode === "sheet" + ? (sheetNo ? `Mol*: sheet B${sheetNo}` : "Mol*: sheet") + : "Mol*: SSE range"; + const ranges = selection.mode === "residue" && residue + ? `${esc(residue.seq)}-${esc(residue.seq)}` + : selection.elements.length === 1 + ? `${esc(element.start)}-${esc(element.stop)}` + : selection.elements.map((item) => `${esc(item.display_id)} ${esc(item.start)}-${esc(item.stop)}`).join(", "); + const totalLength = selection.mode === "residue" && residue + ? 1 + : selection.elements.reduce((sum, item) => sum + Number(item.length || 0), 0) || element.length; + const plddt = residue?.plddt == null ? "not available" : Number(residue.plddt).toFixed(2); + details.innerHTML = ` + ${esc(element.display_id)} ${esc(element.ss_name)} + ${esc(selectionLabel)}; residues ${ranges}, length ${esc(totalLength)}, + contacts ${esc(linked.join(", ") || "none")}. + ${residue ? `
Residue ${esc(residue.residue_id)} ${esc(residue.aa)}, pLDDT ${esc(plddt)}.` : ""} + `; + if (options.skipMolstar) return; + applyMolstarSelection(selection, residue); + } + + function jumpToResidue() { + const query = residueInput.value.trim().toLowerCase(); + if (!query) return; + const elementId = elementByResidue.get(query); + if (!elementId) { + details.innerHTML = `No helix or strand contains residue ${esc(residueInput.value)}.`; + return; + } + const seq = Number(query.split(":").pop()); + selectElement(elementId, residueBySeq.get(seq), { mode: "residue" }); + } + + function applyTransform() { + viewport.setAttribute("transform", `translate(${transform.x} ${transform.y}) scale(${transform.k})`); + } + + function zoomBy(factor) { + transform.k = clamp(transform.k * factor, 0.35, 5); + applyTransform(); + } + + function resetView() { + transform = { x: 0, y: 0, k: 1 }; + applyTransform(); + } + + function downloadJson() { + const blob = new Blob([JSON.stringify(data, null, 2)], { type: "application/json" }); + const url = URL.createObjectURL(blob); + const link = document.createElement("a"); + link.href = url; + link.download = `${(data.name || "alphafold-topology").replace(/\W+/g, "_")}.json`; + document.body.appendChild(link); + link.click(); + link.remove(); + URL.revokeObjectURL(url); + } + + function loadScriptOnce(url, id) { + if (id === "molstar-viewer-js" && window.molstar) return Promise.resolve(); + const existing = document.getElementById(id); + if (existing?.dataset.ready === "true") return Promise.resolve(); + if (existing) { + return new Promise((resolve, reject) => { + existing.addEventListener("load", resolve, { once: true }); + existing.addEventListener("error", reject, { once: true }); + }); + } + return new Promise((resolve, reject) => { + const script = document.createElement("script"); + script.id = id; + script.src = url; + script.onload = () => { + script.dataset.ready = "true"; + resolve(); + }; + script.onerror = reject; + document.head.appendChild(script); + }); + } + + function loadCssOnce(url, id) { + if (document.getElementById(id)) return; + const link = document.createElement("link"); + link.id = id; + link.rel = "stylesheet"; + link.href = url; + document.head.appendChild(link); + } + + function molstarLoadOptions() { + return { + representationParams: { + theme: { + globalName: "uniform", + globalColorParams: { value: MOLSTAR_BASE_GREY }, + carbonColor: { name: "uniform", params: { value: MOLSTAR_BASE_GREY } } + } + } + }; + } + + function configureMolstarAppearance() { + const canvas3d = molstarViewer?.plugin?.canvas3d; + if (!canvas3d) return; + try { + const renderer = canvas3d.props?.renderer || {}; + canvas3d.setProps({ + renderer: { + ...renderer, + highlightColor: MOLSTAR_ACTIVE_RED, + selectColor: MOLSTAR_ACTIVE_RED + } + }); + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* color setup failed: ${error.message || error}`; + } + } + + async function initMolstar() { + if (!molstarNode) return; + try { + if (molstarModelUrl()) { + loadMolstarIframeMvs([], { mode: "initial", elements: [] }, null); + if (molstarStatus) molstarStatus.textContent = "Mol* view is driven by MolViewSpec. Click a topology residue to make it red."; + return; + } + loadCssOnce("https://cdn.jsdelivr.net/npm/molstar@5.4.2/build/viewer/molstar.css", "molstar-viewer-css"); + await loadScriptOnce("https://cdn.jsdelivr.net/npm/molstar@5.4.2/build/viewer/molstar.js", "molstar-viewer-js"); + molstarViewer = await window.molstar.Viewer.create(molstarNode, { + layoutIsExpanded: false, + layoutShowControls: false, + layoutShowRemoteState: false, + layoutShowSequence: true, + layoutShowLog: false, + layoutShowLeftPanel: false, + viewportShowExpand: true, + viewportShowSelectionMode: false, + viewportShowAnimation: false, + viewportBackgroundColor: "white" + }); + configureMolstarAppearance(); + if (mvsAvailable() && molstarModelUrl()) { + await loadMolstarMvs([], { mode: "initial", elements: [] }, null, { replaceExisting: true, focus: false }); + } else if (data.cif_url) { + await molstarViewer.loadStructureFromUrl(data.cif_url, "mmcif", false, molstarLoadOptions()); + } else if (data.afdb_accession) { + const afdbCifUrl = `https://alphafold.ebi.ac.uk/files/AF-${data.afdb_accession}-F1-model_v6.cif`; + try { + await molstarViewer.loadStructureFromUrl(afdbCifUrl, "mmcif", false, molstarLoadOptions()); + } catch (loadError) { + if (!molstarViewer.loadAlphaFoldDb) throw loadError; + await molstarViewer.loadAlphaFoldDb(`AF-${data.afdb_accession}-F1`); + } + } + configureMolstarAppearance(); + const reverseLinked = bindMolstarToTopology(); + if (molstarStatus) { + molstarStatus.textContent = reverseLinked + ? "Click topology residues to rebuild the Mol* view with a red MVS selection." + : "Click topology residues to highlight them in Mol*."; + } + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* could not load: ${error.message || error}`; + } + } + + function molstarRange(chain, start, stop) { + const chainId = chain || "A"; + const beg = Number(start); + const end = Number(stop); + return { + label: { + label_asym_id: chainId, + beg_label_seq_id: beg, + end_label_seq_id: end + }, + auth: { + auth_asym_id: chainId, + beg_auth_seq_id: beg, + end_auth_seq_id: end + }, + labelAnyChain: { + beg_label_seq_id: beg, + end_label_seq_id: end + }, + authAnyChain: { + beg_auth_seq_id: beg, + end_auth_seq_id: end + } + }; + } + + function molstarModelUrl() { + if (data.cif_url) return data.cif_url; + if (data.afdb_accession) return `https://alphafold.ebi.ac.uk/files/AF-${data.afdb_accession}-F1-model_v6.cif`; + return ""; + } + + function mvsAvailable() { + return Boolean(window.molstar?.PluginExtensions?.mvs?.MVSData?.createBuilder && window.molstar?.PluginExtensions?.mvs?.loadMVS); + } + + function mvsSelectorForRange(range, exactResidue) { + const chain = range.chain || "A"; + const start = Number(range.start); + const stop = Number(range.stop); + const selectors = exactResidue && start === stop + ? [ + { label_asym_id: chain, label_seq_id: start }, + { auth_asym_id: chain, auth_seq_id: start } + ] + : [ + { label_asym_id: chain, beg_label_seq_id: start, end_label_seq_id: stop }, + { auth_asym_id: chain, beg_auth_seq_id: start, end_auth_seq_id: stop } + ]; + if ((data.stats?.chains || []).length <= 1) { + if (exactResidue && start === stop) { + selectors.push({ label_seq_id: start }); + selectors.push({ auth_seq_id: start }); + } else { + selectors.push({ beg_label_seq_id: start, end_label_seq_id: stop }); + selectors.push({ beg_auth_seq_id: start, end_auth_seq_id: stop }); + } + } + return selectors; + } + + function mvsSelectorForRanges(ranges, exactResidue) { + const selectors = ranges.flatMap((range) => mvsSelectorForRange(range, exactResidue)); + if (!selectors.length) return undefined; + return selectors.length === 1 ? selectors[0] : selectors; + } + + function clampSeq(seq) { + const values = residues.map((residue) => Number(residue.seq)).filter(Number.isFinite); + if (!values.length) return Number(seq); + return clamp(Number(seq), Math.min(...values), Math.max(...values)); + } + + function focusRangesForSelection(ranges, selection) { + if (selection.mode !== "residue" || !ranges.length) return ranges; + const range = ranges[0]; + return [{ + chain: range.chain, + start: clampSeq(Number(range.start) - 20), + stop: clampSeq(Number(range.stop) + 20) + }]; + } + + function mvsNode(kind, params = {}, children = []) { + return { kind, params, children }; + } + + function buildMvsJson(ranges, selection, residue) { + const url = molstarModelUrl(); + if (!url) return null; + const structureChildren = [ + mvsNode("component", { selector: "polymer" }, [ + mvsNode("representation", { type: "cartoon" }, [ + mvsNode("color", { color: "#b8bec7" }) + ]) + ]) + ]; + if (ranges.length) { + const exactResidue = selection.mode === "residue" && residue; + const focusSelector = mvsSelectorForRanges(focusRangesForSelection(ranges, selection), false); + if (focusSelector) { + structureChildren.push(mvsNode("component", { selector: focusSelector }, [ + mvsNode("focus", {}) + ])); + } + const activeSelector = mvsSelectorForRanges(ranges, exactResidue); + structureChildren.push(mvsNode("component", { selector: activeSelector }, [ + mvsNode("representation", { type: exactResidue ? "ball_and_stick" : "cartoon" }, [ + mvsNode("color", { color: "#e11919" }) + ]), + ...(exactResidue ? [mvsNode("label", { text: `${ranges[0].chain || "A"}:${ranges[0].start}` })] : []) + ])); + } + return { + metadata: { + title: data.name || "Topology selection", + version: "1", + timestamp: new Date().toISOString() + }, + root: mvsNode("root", {}, [ + mvsNode("download", { url }, [ + mvsNode("parse", { format: "mmcif" }, [ + mvsNode("structure", { type: "model" }, structureChildren) + ]) + ]), + mvsNode("canvas", { background_color: "#ffffff" }) + ]) + }; + } + + function molstarViewerUrlForMvs(ranges, selection, residue) { + const mvs = buildMvsJson(ranges, selection, residue); + if (!mvs) return ""; + return `https://molstar.org/viewer?mvs-format=mvsj&mvs-data=${encodeURIComponent(JSON.stringify(mvs))}`; + } + + function loadMolstarIframeMvs(ranges, selection, residue) { + if (!molstarNode) return false; + const url = molstarViewerUrlForMvs(ranges, selection, residue); + if (!url) return false; + let frame = molstarNode.querySelector("iframe"); + if (!frame) { + molstarNode.replaceChildren(); + frame = document.createElement("iframe"); + frame.title = "Mol* MolViewSpec view"; + frame.loading = "eager"; + molstarNode.appendChild(frame); + } + frame.src = url; + if (molstarStatus) { + const label = ranges.length === 1 + ? `${ranges[0].chain || "A"}:${ranges[0].start}-${ranges[0].stop}` + : ranges.length ? `${ranges.length} selected ranges` : "structure"; + molstarStatus.textContent = ranges.length + ? `MolViewSpec iframe loading red selection for ${label}.` + : "MolViewSpec iframe loaded grey structure."; + } + return true; + } + + function buildMolstarMvs(ranges, selection, residue) { + const url = molstarModelUrl(); + if (!url || !mvsAvailable()) return null; + const builder = window.molstar.PluginExtensions.mvs.MVSData.createBuilder(); + const structure = builder + .download({ url }) + .parse({ format: "mmcif" }) + .modelStructure({}); + structure + .component({ selector: "polymer" }) + .representation({ type: "cartoon" }) + .color({ color: "#b8bec7" }); + if (ranges.length) { + const exactResidue = selection.mode === "residue" && residue; + const selector = mvsSelectorForRanges(ranges, exactResidue); + const active = structure.component({ selector }); + active.focus({}); + if (exactResidue) { + active + .representation({ type: "ball_and_stick" }) + .color({ color: "#e11919" }); + active.label({ text: `${ranges[0].chain || "A"}:${ranges[0].start}` }); + } else { + active + .representation({ type: "cartoon" }) + .color({ color: "#e11919" }); + } + } + return builder.getState(); + } + + async function loadMolstarMvs(ranges, selection, residue, options = {}) { + if (!mvsAvailable()) return false; + const mvsData = buildMolstarMvs(ranges, selection, residue); + if (!mvsData) return false; + if (molstarStatus) { + const label = ranges.length === 1 + ? `${ranges[0].chain || "A"}:${ranges[0].start}-${ranges[0].stop}` + : ranges.length ? `${ranges.length} selected ranges` : "structure"; + molstarStatus.textContent = `Loading MolViewSpec view for ${label}...`; + } + await window.molstar.PluginExtensions.mvs.loadMVS(molstarViewer.plugin, mvsData, { + replaceExisting: options.replaceExisting ?? true, + sanityChecks: true + }); + configureMolstarAppearance(); + return true; + } + + function molstarSchema(items) { + return items.length === 1 ? items[0] : { items }; + } + + function molstarSchemasForRanges(ranges) { + const mapped = ranges.map((range) => molstarRange(range.chain, range.start, range.stop)); + const schemas = [ + molstarSchema(mapped.map((range) => range.label)), + molstarSchema(mapped.map((range) => range.auth)) + ]; + const chains = data.stats?.chains || []; + if (chains.length <= 1) { + schemas.push(molstarSchema(mapped.map((range) => range.labelAnyChain))); + schemas.push(molstarSchema(mapped.map((range) => range.authAnyChain))); + } + return schemas; + } + + function rangesForSelection(selection, residue) { + if (selection.mode === "residue" && residue) { + return [{ chain: residue.chain, start: residue.seq, stop: residue.seq }]; + } + return selection.elements.map((element) => ({ + chain: element.chain, + start: element.start, + stop: element.stop + })); + } + + function focusOptionsForSelection(selection) { + if (selection.mode === "residue") { + return { minRadius: 24, extraRadius: 34, durationMs: 350 }; + } + if (selection.mode === "sheet") { + return { minRadius: 42, extraRadius: 34, durationMs: 350 }; + } + return { minRadius: 34, extraRadius: 28, durationMs: 350 }; + } + + function clearMolstarSelection() { + try { + const plugin = molstarViewer?.plugin; + molstarViewer?.structureInteractivity?.({ action: "select" }); + plugin?.managers?.interactivity?.lociSelects?.deselectAll?.(); + plugin?.managers?.structure?.focus?.clear?.(); + plugin?.managers?.interactivity?.clearHighlights?.(); + } catch (error) {} + } + + function currentMolstarStructures() { + const hierarchy = molstarViewer?.plugin?.managers?.structure?.hierarchy; + const current = hierarchy?.current?.structures || hierarchy?.selection?.structures || []; + const structures = []; + current.forEach((item) => { + const candidates = [ + item?.cell?.obj?.data, + item?.components?.[0]?.cell?.obj?.data, + item?.models?.[0]?.cell?.obj?.data + ]; + candidates.forEach((candidate) => { + if (candidate && candidate.units && !structures.includes(candidate)) structures.push(candidate); + }); + }); + return structures; + } + + function lociIsEmpty(loci) { + const checker = window.molstar?.StructureElement?.Loci?.isEmpty; + if (typeof checker === "function") return checker(loci); + return !loci || !Array.isArray(loci.elements) || loci.elements.length === 0; + } + + function lociFromSchema(structure, schema) { + const structureElement = window.molstar?.StructureElement; + const fromSchema = structureElement?.Loci?.fromSchema || structureElement?.Schema?.toLoci; + if (typeof fromSchema !== "function") return null; + try { + return fromSchema(structure, schema); + } catch (error) { + return null; + } + } + + function molstarLociForRanges(ranges) { + const structures = currentMolstarStructures(); + const loci = []; + if (!structures.length) return loci; + molstarSchemasForRanges(ranges).forEach((schema) => { + structures.forEach((structure) => { + const item = lociFromSchema(structure, schema); + if (item && !lociIsEmpty(item)) loci.push(item); + }); + }); + return loci; + } + + function applyMolstarLoci(ranges, action, focusOptions) { + const plugin = molstarViewer?.plugin; + if (!plugin) return 0; + const loci = molstarLociForRanges(ranges); + if (!loci.length) return 0; + loci.forEach((item, index) => { + if (action === "highlight") { + plugin.managers?.interactivity?.lociHighlights?.highlightOnly?.({ loci: item }, true); + } else if (action === "select") { + plugin.managers?.interactivity?.lociSelects?.select?.({ loci: item }, true); + if (index === 0) plugin.managers?.structure?.focus?.setFromLoci?.(item); + } else if (action === "focus") { + if (index === 0) plugin.managers?.camera?.focusLoci?.(item, focusOptions); + } + }); + return loci.length; + } + + function molstarExpressionForRanges(ranges, numbering, useChain) { + return (Q) => { + const groups = ranges.map((range) => { + const seqProp = numbering === "auth" + ? Q.struct.atomProperty.macromolecular.auth_seq_id() + : Q.struct.atomProperty.macromolecular.label_seq_id(); + const group = { + "residue-test": Number(range.start) === Number(range.stop) + ? Q.core.rel.eq([seqProp, Number(range.start)]) + : Q.core.rel.inRange([seqProp, Number(range.start), Number(range.stop)]) + }; + if (useChain && range.chain) { + const chainProp = numbering === "auth" + ? Q.struct.atomProperty.macromolecular.auth_asym_id() + : Q.struct.atomProperty.macromolecular.label_asym_id(); + group["chain-test"] = Q.core.rel.eq([chainProp, String(range.chain)]); + } + return Q.struct.generator.atomGroups(group); + }); + return groups.length === 1 ? groups[0] : Q.struct.combinator.merge(groups); + }; + } + + function invokeMolstarExpressions(ranges, action, focusOptions) { + if (!molstarViewer || !molstarViewer.structureInteractivity) return 0; + const singleChain = (data.stats?.chains || []).length <= 1; + const attempts = [ + ["label", true], + ["auth", true], + ["label", false], + ["auth", false] + ]; + let sent = 0; + attempts.forEach(([numbering, useChain]) => { + if (!useChain && !singleChain) return; + try { + molstarViewer.structureInteractivity({ + expression: molstarExpressionForRanges(ranges, numbering, useChain), + action, + focusOptions, + applyGranularity: true + }); + sent += 1; + } catch (error) {} + }); + return sent; + } + + function invokeMolstarSchemas(ranges, action, focusOptions) { + if (!molstarViewer || !molstarViewer.structureInteractivity) return; + let hits = invokeMolstarExpressions(ranges, action, focusOptions); + hits += applyMolstarLoci(ranges, action, focusOptions); + molstarSchemasForRanges(ranges).forEach((elements) => { + molstarViewer.structureInteractivity({ + elements, + action, + focusOptions, + applyGranularity: true + }); + hits += 1; + }); + return hits; + } + + async function applyMolstarSelection(selection, residue) { + const ranges = rangesForSelection(selection, residue); + if (!ranges.length) return; + try { + if (loadMolstarIframeMvs(ranges, selection, residue)) return; + if (!molstarViewer || !molstarViewer.structureInteractivity) return; + if (await loadMolstarMvs(ranges, selection, residue, { replaceExisting: true })) { + if (molstarStatus) { + const target = ranges.length === 1 + ? `${ranges[0].chain || "A"}:${ranges[0].start}-${ranges[0].stop}` + : `${ranges.length} ranges`; + molstarStatus.textContent = `MolViewSpec highlighted ${target} in red.`; + } + return; + } + clearMolstarSelection(); + const selected = invokeMolstarSchemas(ranges, "select"); + invokeMolstarSchemas(ranges, "focus", focusOptionsForSelection(selection)); + lastMolstarHit = `${selection.mode}:${ranges.map((range) => `${range.chain}:${range.start}-${range.stop}`).join(",")}`; + if (molstarStatus) { + const target = ranges.length === 1 + ? `${ranges[0].chain || "chain"}:${ranges[0].start}-${ranges[0].stop}` + : `${ranges.length} ranges`; + molstarStatus.textContent = selected + ? `Mol* residue/SSE selection sent for ${target}.` + : `Mol* is loaded, but no selection command could be sent for ${target}.`; + } + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* selection failed: ${error.message || error}`; + } + } + + function highlightMolstarRange(chain, start, stop, action) { + if (!molstarViewer || !molstarViewer.structureInteractivity) return; + try { + invokeMolstarSchemas([{ chain, start, stop }], action); + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* link failed: ${error.message || error}`; + } + } + + function highlightMolstarElement(element, action) { + if (!element) return; + highlightMolstarRange(element.chain, element.start, element.stop, action); + } + + function highlightMolstarSheet(element, action) { + sheetElementsFor(element).forEach((item) => highlightMolstarElement(item, action)); + } + + function highlightMolstarResidue(residue, action) { + if (!residue) return; + highlightMolstarRange(residue.chain, residue.seq, residue.seq, action); + } + + function firstOrderedSetValue(indices) { + if (!indices) return null; + if (typeof window.molstar?.OrderedSet?.getAt === "function") { + const value = window.molstar.OrderedSet.getAt(indices, 0); + if (Number.isFinite(Number(value))) return Number(value); + } + if (Array.isArray(indices) && Number.isFinite(Number(indices[0]))) return Number(indices[0]); + if (typeof indices[Symbol.iterator] === "function") { + for (const value of indices) { + if (Number.isFinite(Number(value))) return Number(value); + break; + } + } + for (const key of ["array", "indices", "set"]) { + const value = indices[key]?.[0]; + if (Number.isFinite(Number(value))) return Number(value); + } + return null; + } + + function seqFromMolstarLoci(loci) { + const elements = loci?.elements; + if (!elements?.length) return null; + for (const item of elements) { + const unit = item?.unit; + const atomic = unit?.model?.atomicHierarchy; + const rawIndex = firstOrderedSetValue(item?.indices); + if (!atomic || rawIndex == null) continue; + const atomCandidates = [unit.elements?.[rawIndex], rawIndex].filter((value) => Number.isFinite(Number(value))); + for (const atomIndex of atomCandidates) { + const residueIndex = typeof unit?.residueIndex === "function" + ? unit.residueIndex(atomIndex) + : atomic.residueAtomSegments?.index?.[atomIndex]; + const authSeq = atomic.residues?.auth_seq_id?.value?.(residueIndex); + const labelSeq = atomic.residues?.label_seq_id?.value?.(residueIndex); + const seq = Number(authSeq ?? labelSeq); + if (Number.isFinite(seq)) return seq; + } + } + return null; + } + + function seqFromMolstarStructure(structure) { + const units = structure?.units || []; + for (const unit of units) { + const atomic = unit?.model?.atomicHierarchy; + const elements = unit?.elements || []; + if (!atomic || !elements.length) continue; + for (const atomIndex of elements) { + const residueIndex = atomic.residueAtomSegments?.index?.[atomIndex]; + const authSeq = atomic.residues?.auth_seq_id?.value?.(residueIndex); + const labelSeq = atomic.residues?.label_seq_id?.value?.(residueIndex); + const seq = Number(authSeq ?? labelSeq); + if (Number.isFinite(seq)) return seq; + } + } + return null; + } + + function seqFromMolstarSelection() { + const entries = molstarViewer?.plugin?.managers?.structure?.selection?.entries; + if (!entries?.values) return null; + for (const entry of entries.values()) { + const seq = seqFromMolstarStructure(entry?.structure); + if (seq != null) return seq; + } + return null; + } + + function nestedMolstarValue(value, names) { + const seen = new WeakSet(); + let checked = 0; + function walk(item, depth) { + if (!item || typeof item !== "object" || depth > 8 || checked > 1200) return null; + if (seen.has(item) || ArrayBuffer.isView(item)) return null; + seen.add(item); + checked += 1; + for (const name of names) { + if (!Object.prototype.hasOwnProperty.call(item, name)) continue; + const direct = item[name]; + if (typeof direct === "string" || typeof direct === "number") return direct; + const nested = walk(direct, depth + 1); + if (nested != null) return nested; + } + if (Array.isArray(item)) { + for (const child of item.slice(0, 40)) { + const found = walk(child, depth + 1); + if (found != null) return found; + } + return null; + } + for (const key of Object.keys(item).slice(0, 80)) { + const found = walk(item[key], depth + 1); + if (found != null) return found; + } + return null; + } + return walk(value, 0); + } + + function lociFromMolstarEvent(event) { + return event?.current?.loci || event?.loci || event?.data?.current?.loci || event?.data?.loci || null; + } + + function clearTopologyMolstarHover() { + root.querySelectorAll(".molstar-hot").forEach((node) => node.classList.remove("molstar-hot")); + } + + function syncTopologyFromMolstar(event, persistent) { + const loci = lociFromMolstarEvent(event); + const fallbackSeq = nestedMolstarValue(loci, ["auth_seq_id", "label_seq_id", "seq_id"]); + const seq = seqFromMolstarLoci(loci) + ?? (persistent ? seqFromMolstarSelection() : null) + ?? (fallbackSeq == null ? null : Number(fallbackSeq)); + if (!Number.isFinite(Number(seq))) { + if (!persistent) clearTopologyMolstarHover(); + return false; + } + const residue = residueBySeq.get(Number(seq)); + const element = elementForSeq(Number(seq)); + if (!element) return false; + const group = nodeForElement(element.id); + if (persistent) { + selectElement(element.id, residue, { skipMolstar: true, mode: clickMode?.value || "sheet" }); + return true; + } + clearTopologyMolstarHover(); + if (group) { + group.classList.add("molstar-hot"); + if (residue) updateTick(group, element, residue); + } + const plddt = residue?.plddt == null ? "not available" : Number(residue.plddt).toFixed(2); + details.innerHTML = ` + Mol* hover: ${esc(element.display_id)} ${esc(element.ss_name)} + residue ${esc(residue?.residue_id || seq)}, range ${esc(element.start)}-${esc(element.stop)}, pLDDT ${esc(plddt)}. + `; + return true; + } + + function bindMolstarToTopology() { + const interaction = molstarViewer?.plugin?.behaviors?.interaction; + let linked = false; + try { + if (interaction?.click?.subscribe) { + interaction.click.subscribe((event) => syncTopologyFromMolstar(event, true)); + linked = true; + } + if (interaction?.hover?.subscribe) { + interaction.hover.subscribe((event) => syncTopologyFromMolstar(event, false)); + linked = true; + } + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* reverse link failed: ${error.message || error}`; + } + return linked; + } + + root.querySelector("[data-action='zoom-in']").addEventListener("click", () => zoomBy(1.2)); + root.querySelector("[data-action='zoom-out']").addEventListener("click", () => zoomBy(1 / 1.2)); + root.querySelector("[data-action='reset']").addEventListener("click", resetView); + root.querySelector("[data-action='jump']").addEventListener("click", jumpToResidue); + root.querySelector("[data-action='download-json']").addEventListener("click", downloadJson); + residueInput.addEventListener("keydown", (event) => { + if (event.key === "Enter") jumpToResidue(); + }); + linkToggle.addEventListener("change", () => { + linksLayer.style.display = linkToggle.checked ? "" : "none"; + }); + labelToggle.addEventListener("change", () => { + const display = labelToggle.checked ? "" : "none"; + root.querySelectorAll(".sse-label,.range-label,.sheet-text,.terminus,.domain-label").forEach((node) => { + node.style.display = display; + }); + }); + svg.addEventListener("wheel", (event) => { + event.preventDefault(); + zoomBy(event.deltaY < 0 ? 1.08 : 1 / 1.08); + }, { passive: false }); + svg.addEventListener("mousedown", (event) => { + if (event.button !== 0) return; + drag = { x: event.clientX, y: event.clientY }; + svg.classList.add("dragging"); + }); + window.addEventListener("mousemove", (event) => { + if (!drag) return; + const dx = event.clientX - drag.x; + const dy = event.clientY - drag.y; + transform.x += dx; + transform.y += dy; + drag.x = event.clientX; + drag.y = event.clientY; + applyTransform(); + }); + window.addEventListener("mouseup", () => { + drag = null; + svg.classList.remove("dragging"); + }); + + layout(); + drawBands(); + drawConnectors(); + drawLinks(); + drawElements(); + applyTransform(); + initMolstar(); +})(); +""".replace( + "__ROOT_ID__", root_id + ).replace( + "__DATA_ID__", data_id + ) + + return f""" +
+ +
+
+
{_html_escape(title)}
+
{_html_escape(subtitle)}
+
+ {stats["residue_count"]} residues; + {stats["helix_count"]} helices; + {stats["strand_count"]} strands; + {stats["beta_link_count"]} inferred strand contacts; + chain {_html_escape(", ".join(stats["chains"]))} +
+
+
+
+
+
{_html_escape(title)} | Clean topology
+ + + + + + + + + +
+
+ + + + + + + + +
+
+
+ Helices are labeled H1, H2, ... and strands are labeled E1, E2, ... . Click a position on an element to highlight that residue in Mol* with contextual zoom; change click mode to select an SSE or sheet. +
+
+ {molstar_panel} +
+
+ + +
+""" + + +def _pdbe_plugin_topology_html(topology: Dict[str, Any]) -> str: + root_id = "pdbe-topology-" + uuid.uuid4().hex + data_id = root_id + "-data" + title = topology.get("name") or topology.get("pdbe_entry_id") or "Topology" + stats = topology["stats"] + metadata = topology.get("metadata", {}) + subtitle = metadata.get("source") or "Generated topology" + json_blob = json.dumps(topology, separators=(",", ":")).replace(" +
Mol* 3D view
+
+
Loading Mol*...
+ + """ + + css = """ +#__ROOT_ID__ { + --line: #c8d5c0; + --header: #dcefd4; + --ink: #1f2933; + color: var(--ink); + font-family: Inter, "Segoe UI", Arial, sans-serif; +} +#__ROOT_ID__ .af-shell { + border: 1px solid var(--line); + background: white; +} +#__ROOT_ID__ .af-header { + background: var(--header); + border-bottom: 1px solid var(--line); + padding: 12px 14px; +} +#__ROOT_ID__ .af-title { + color: #2f6f39; + font-size: 21px; + font-weight: 700; +} +#__ROOT_ID__ .af-subtitle, +#__ROOT_ID__ .af-stats { + color: #3e5945; + font-size: 12px; + margin-top: 3px; +} +#__ROOT_ID__ .af-grid { + display: grid; + gap: 12px; + grid-template-columns: minmax(420px, 1.15fr) minmax(360px, 0.85fr); + padding: 12px; +} +#__ROOT_ID__ .pdbe-topology-target { + height: 650px; + min-width: 0; +} +#__ROOT_ID__ .af-molstar-panel { + border: 1px solid #b9c5d1; + min-width: 0; + position: relative; +} +#__ROOT_ID__ .af-panel-bar { + background: #f0f3f6; + border-bottom: 1px solid #c9d1da; + font-size: 13px; + min-height: 34px; + padding: 8px 10px; +} +#__ROOT_ID__ .af-molstar-stage { + height: 650px; + position: relative; +} +#__ROOT_ID__ .af-status { + background: rgba(255, 255, 255, 0.92); + bottom: 8px; + color: #344154; + font-size: 12px; + left: 8px; + padding: 4px 6px; + position: absolute; +} +#__ROOT_ID__ .af-details { + border-top: 1px solid #d7d7d7; + color: #5d6978; + font-size: 13px; + min-height: 42px; + padding: 10px 14px; +} +#__ROOT_ID__ .af-details strong { + color: var(--ink); +} +#__ROOT_ID__ .af-details code { + background: #eef2f7; + border-radius: 3px; + color: #344154; + padding: 1px 4px; +} +@media (max-width: 1050px) { + #__ROOT_ID__ .af-grid { + grid-template-columns: 1fr; + } +} +""".replace( + "__ROOT_ID__", root_id + ) + + script = r""" +(function () { + const root = document.getElementById("__ROOT_ID__"); + const data = JSON.parse(document.getElementById("__DATA_ID__").textContent); + const target = root.querySelector("[data-role='pdbe-topology']"); + const details = root.querySelector("[data-role='details']"); + const molstarNode = root.querySelector("[data-role='molstar']"); + const molstarStatus = root.querySelector("[data-role='molstar-status']"); + const residues = new Map(data.residues.map((residue) => [String(residue.seq), residue])); + let molstarViewer = null; + + function esc(value) { + return String(value ?? "") + .replace(/&/g, "&") + .replace(//g, ">") + .replace(/"/g, """) + .replace(/'/g, "'"); + } + + function loadScriptOnce(url, id) { + if (document.getElementById(id)?.dataset.ready === "true") return Promise.resolve(); + if (id === "pdbe-topology-plugin" && window.PdbTopologyViewerPlugin) return Promise.resolve(); + if (id === "molstar-viewer-js" && window.molstar) return Promise.resolve(); + const existing = document.getElementById(id); + if (existing) { + return new Promise((resolve, reject) => { + existing.addEventListener("load", resolve, { once: true }); + existing.addEventListener("error", reject, { once: true }); + }); + } + return new Promise((resolve, reject) => { + const script = document.createElement("script"); + script.id = id; + script.src = url; + script.onload = () => { + script.dataset.ready = "true"; + resolve(); + }; + script.onerror = reject; + document.head.appendChild(script); + }); + } + + function loadCssOnce(url, id) { + if (document.getElementById(id)) return; + const link = document.createElement("link"); + link.id = id; + link.rel = "stylesheet"; + link.href = url; + document.head.appendChild(link); + } + + function renderDetails(eventData) { + const residue = residues.get(String(eventData.residueNumber)); + if (!residue) return; + const plddt = residue.plddt == null ? "not available" : Number(residue.plddt).toFixed(2); + const element = data.elements.find((item) => residue.seq >= item.start && residue.seq <= item.stop); + const contactCount = data.links.filter((link) => { + if (!element) return false; + return link.source === element.id || link.target === element.id; + }).length; + details.innerHTML = ` + ${esc(residue.residue_id)} ${esc(residue.aa)} + pLDDT ${esc(plddt)}, SSE ${esc(element ? element.id + " " + element.ss_name : "coil")}, + strand contacts ${contactCount}. + `; + } + + function highlightMolstar(eventData, action) { + if (!molstarViewer || !molstarViewer.structureInteractivity) return; + const residue = residues.get(String(eventData.residueNumber)); + if (!residue) return; + try { + molstarViewer.structureInteractivity({ + elements: { + chain_id: residue.chain, + auth_asym_id: residue.chain, + label_asym_id: residue.chain, + beg_auth_seq_id: residue.seq, + end_auth_seq_id: residue.seq, + beg_label_seq_id: residue.seq, + end_label_seq_id: residue.seq + }, + action + }); + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* residue link failed: ${error.message || error}`; + } + } + + function handleTopologyEvent(event, action) { + const eventData = event.eventData; + if (!eventData) return; + if (String(eventData.entryId).toLowerCase() !== data.pdbe_entry_id) return; + if (String(eventData.entityId) !== data.pdbe_entity_id) return; + if (String(eventData.chainId) !== data.pdbe_chain_id) return; + renderDetails(eventData); + highlightMolstar(eventData, action); + } + + async function initTopology() { + try { + await loadScriptOnce("https://cdn.jsdelivr.net/gh/PDBeurope/pdb-topology-viewer@master/build/pdb-topology-viewer-plugin-3.0.1.js", "pdbe-topology-plugin"); + const Plugin = window.PdbTopologyViewerPlugin; + if (!Plugin) throw new Error("PdbTopologyViewerPlugin was not exposed by the loaded bundle."); + const viewer = new Plugin(); + viewer.render(target, { + entryId: data.pdbe_entry_id, + entityId: data.pdbe_entity_id, + chainId: data.pdbe_chain_id, + subscribeEvents: true, + autoResize: true, + displayStyle: "height:650px;width:100%;" + }, data.pdbe_api_data); + } catch (error) { + target.innerHTML = `
PDBe topology renderer could not load: ${esc(error.message || error)}
`; + } + } + + async function initMolstar() { + if (!molstarNode) return; + try { + loadCssOnce("https://cdn.jsdelivr.net/npm/molstar@5.4.2/build/viewer/molstar.css", "molstar-viewer-css"); + await loadScriptOnce("https://cdn.jsdelivr.net/npm/molstar@5.4.2/build/viewer/molstar.js", "molstar-viewer-js"); + molstarViewer = await window.molstar.Viewer.create(molstarNode, { + layoutIsExpanded: false, + layoutShowControls: false, + layoutShowRemoteState: false, + layoutShowSequence: true, + layoutShowLog: false, + layoutShowLeftPanel: false, + viewportShowExpand: true, + viewportShowSelectionMode: false, + viewportShowAnimation: false, + viewportBackgroundColor: "white" + }); + if (data.cif_url) { + await molstarViewer.loadStructureFromUrl(data.cif_url, "mmcif", false); + } else if (data.afdb_accession && molstarViewer.loadAlphaFoldDb) { + await molstarViewer.loadAlphaFoldDb(`AF-${data.afdb_accession}-F1`); + } + if (molstarStatus) molstarStatus.textContent = "Hover or click topology residues to link 2D and 3D."; + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* could not load: ${error.message || error}`; + } + } + + document.addEventListener("PDB.topologyViewer.mouseover", (event) => handleTopologyEvent(event, "highlight")); + document.addEventListener("PDB.topologyViewer.click", (event) => handleTopologyEvent(event, "select")); + document.addEventListener("PDB.topologyViewer.mouseout", () => { + try { molstarViewer?.plugin?.managers?.interactivity?.clearHighlights?.(); } catch (error) {} + }); + initTopology(); + initMolstar(); +})(); +""".replace( + "__ROOT_ID__", root_id + ).replace( + "__DATA_ID__", data_id + ) + + return f""" +
+ +
+
+
{_html_escape(title)}
+
{_html_escape(subtitle)}
+
+ {stats["residue_count"]} residues; + {stats["helix_count"]} helices; + {stats["strand_count"]} strands; + {stats["beta_link_count"]} strand contacts; + chain {_html_escape(topology.get("pdbe_chain_id", ""))} +
+
+
+
+
+
+ Official PDBe topology renderer, using topology JSON generated from the AlphaFold mmCIF. Hover residues for pLDDT and secondary-structure details. +
+
+ {molstar_panel} +
+
+ + +
+""" + + +def topology_html(topology: Dict[str, Any]) -> str: + if topology.get("pdbe_api_data"): + return _clean_alphafold_topology_html(topology) + + root_id = "dssp-topology-" + uuid.uuid4().hex + data_id = root_id + "-data" + title = topology.get("name") or "DSSP topology" + metadata = topology.get("metadata", {}) + stats = topology["stats"] + subtitle = metadata.get("molecule") or metadata.get("header") or "Uploaded DSSP" + json_blob = json.dumps(topology, separators=(",", ":")).replace(" +
+ AlphaFold DB: {_html_escape(afdb_accession)} + Open Mol* +
+
+
Loading Mol* from AlphaFold DB...
+ + """ + + css = """ +#__ROOT_ID__ { + --ink: #111111; + --muted: #5f6670; + --line: #222222; + --panel: #f5f7f9; + --pdbe-green: #dcefd4; + --pdbe-green-border: #b9d9ad; + --bar: #707070; + --select: #1f5fbf; + color: var(--ink); + font-family: Inter, "Segoe UI", Arial, sans-serif; + line-height: 1.35; +} +#__ROOT_ID__ .topology-shell { + border: 1px solid #c9d4c1; + background: white; +} +#__ROOT_ID__ .topology-heading { + background: var(--pdbe-green); + border-bottom: 1px solid var(--pdbe-green-border); + padding: 13px 16px; +} +#__ROOT_ID__ .topology-heading .title { + color: #2f6f39; + font-size: 22px; + font-weight: 700; +} +#__ROOT_ID__ .topology-heading .subtitle, +#__ROOT_ID__ .topology-heading .stats { + color: #3e5945; + font-size: 12px; + margin-top: 3px; +} +#__ROOT_ID__ .viewer-grid { + display: grid; + gap: 12px; + grid-template-columns: minmax(360px, 1fr); + padding: 14px; +} +#__ROOT_ID__.has-molstar .viewer-grid { + grid-template-columns: minmax(420px, 1.25fr) minmax(360px, 0.75fr); +} +#__ROOT_ID__ .topology-card { + border: 2px solid #777777; + min-width: 0; +} +#__ROOT_ID__ .viewer-wrap { + height: 640px; + position: relative; + background: #ffffff; +} +#__ROOT_ID__ svg { + cursor: grab; + display: block; + height: 100%; + width: 100%; +} +#__ROOT_ID__ svg.is-dragging { + cursor: grabbing; +} +#__ROOT_ID__ .connector { + fill: none; + stroke: var(--line); + stroke-linecap: square; + stroke-linejoin: miter; + stroke-width: 2; +} +#__ROOT_ID__ .chain-break { + stroke-dasharray: 5 6; +} +#__ROOT_ID__ .beta-link { + fill: none; + opacity: 0.22; + stroke: #4b79bd; + stroke-linecap: round; +} +#__ROOT_ID__ .beta-link.link-selected { + opacity: 0.9; + stroke: #1f4e9d; +} +#__ROOT_ID__ .sse { + cursor: pointer; + outline: none; +} +#__ROOT_ID__ .sse-shape { + fill: #ffffff; + stroke: #111111; + stroke-linejoin: miter; + stroke-width: 2; +} +#__ROOT_ID__ .sse:hover .sse-shape, +#__ROOT_ID__ .sse.selected .sse-shape { + stroke: var(--select); + stroke-width: 3; +} +#__ROOT_ID__ .selection-ring { + fill: none; + opacity: 0; + pointer-events: none; + stroke: var(--select); + stroke-dasharray: 4 4; + stroke-width: 2; +} +#__ROOT_ID__ .sse.selected .selection-ring { + opacity: 1; +} +#__ROOT_ID__ .residue-tick { + display: none; + pointer-events: none; + stroke: #d01f1f; + stroke-width: 2; +} +#__ROOT_ID__ .sse.has-residue .residue-tick { + display: block; +} +#__ROOT_ID__ .element-label { + fill: #111111; + font-size: 12px; + font-weight: 700; + pointer-events: none; + text-anchor: middle; +} +#__ROOT_ID__ .residue-label { + fill: #555555; + font-size: 10px; + pointer-events: none; + text-anchor: middle; +} +#__ROOT_ID__ .terminus { + font-size: 18px; + font-weight: 700; + pointer-events: none; +} +#__ROOT_ID__ .terminus.n { + fill: #0b39ff; +} +#__ROOT_ID__ .terminus.c { + fill: #ff0000; +} +#__ROOT_ID__ .tooltip { + background: #111827; + border-radius: 4px; + color: white; + display: none; + font-size: 12px; + max-width: 320px; + padding: 8px 10px; + pointer-events: none; + position: absolute; + z-index: 4; +} +#__ROOT_ID__ .pdbe-footer { + align-items: stretch; + background: var(--bar); + color: white; + display: grid; + grid-template-columns: minmax(220px, 1fr) auto; + min-height: 48px; +} +#__ROOT_ID__ .entry-label { + align-items: center; + display: flex; + font-size: 20px; + gap: 8px; + min-width: 0; + padding: 8px 16px; +} +#__ROOT_ID__ .entry-label span { + overflow: hidden; + text-overflow: ellipsis; + white-space: nowrap; +} +#__ROOT_ID__ .entry-dot { + border: 2px solid #555555; + box-shadow: inset 0 0 0 4px #f1f1f1; + display: inline-block; + height: 18px; + width: 18px; +} +#__ROOT_ID__ .controls { + align-items: center; + display: flex; + flex-wrap: wrap; + gap: 6px; + justify-content: flex-end; + padding: 6px 8px; +} +#__ROOT_ID__ button, +#__ROOT_ID__ input[type="text"], +#__ROOT_ID__ select { + border: 1px solid #c6c6c6; + border-radius: 0; + background: #ffffff; + color: #111111; + font: inherit; + font-size: 12px; + min-height: 30px; +} +#__ROOT_ID__ button { + cursor: pointer; + min-width: 30px; + padding: 4px 8px; +} +#__ROOT_ID__ button:hover { + background: #eeeeee; +} +#__ROOT_ID__ input[type="text"] { + width: 128px; + padding: 4px 8px; +} +#__ROOT_ID__ select { + min-width: 120px; + padding: 4px 8px; +} +#__ROOT_ID__ label.toggle { + align-items: center; + color: white; + display: inline-flex; + font-size: 12px; + gap: 4px; + min-height: 30px; + white-space: nowrap; +} +#__ROOT_ID__ .details { + border-top: 1px solid #d7d7d7; + color: var(--muted); + font-size: 13px; + min-height: 48px; + padding: 10px 14px; +} +#__ROOT_ID__ .details strong { + color: var(--ink); +} +#__ROOT_ID__ .details code { + background: #eef2f7; + border-radius: 3px; + color: #344154; + padding: 1px 4px; +} +#__ROOT_ID__ .molstar-panel { + border: 1px solid #b9c5d1; + min-width: 0; + position: relative; +} +#__ROOT_ID__ .molstar-topbar { + align-items: center; + background: #f0f3f6; + border-bottom: 1px solid #c9d1da; + color: #1f2933; + display: flex; + font-size: 13px; + justify-content: space-between; + min-height: 38px; + padding: 6px 10px; +} +#__ROOT_ID__ .molstar-topbar a { + color: #164f9f; + text-decoration: none; +} +#__ROOT_ID__ .molstar-stage { + height: 640px; + position: relative; +} +#__ROOT_ID__ .molstar-status { + background: rgba(255, 255, 255, 0.92); + bottom: 8px; + color: #344154; + font-size: 12px; + left: 8px; + padding: 4px 6px; + position: absolute; +} +@media (max-width: 1050px) { + #__ROOT_ID__.has-molstar .viewer-grid { + grid-template-columns: 1fr; + } +} +@media (max-width: 760px) { + #__ROOT_ID__ .viewer-grid { + padding: 10px; + } + #__ROOT_ID__ .viewer-wrap, + #__ROOT_ID__ .molstar-stage { + height: 520px; + } + #__ROOT_ID__ .pdbe-footer { + grid-template-columns: 1fr; + } + #__ROOT_ID__ .controls { + justify-content: flex-start; + } +} +""".replace( + "__ROOT_ID__", root_id + ) + + script = r""" +(function () { + const root = document.getElementById("__ROOT_ID__"); + const data = JSON.parse(document.getElementById("__DATA_ID__").textContent); + const svg = root.querySelector("svg"); + const viewport = root.querySelector("[data-role='viewport']"); + const connectorsLayer = root.querySelector("[data-role='connectors']"); + const linksLayer = root.querySelector("[data-role='links']"); + const elementsLayer = root.querySelector("[data-role='elements']"); + const tooltip = root.querySelector("[data-role='tooltip']"); + const details = root.querySelector("[data-role='details']"); + const linkToggle = root.querySelector("[data-role='toggle-links']"); + const labelToggle = root.querySelector("[data-role='toggle-labels']"); + const residueInput = root.querySelector("[data-role='residue-input']"); + const molstarNode = root.querySelector("[data-role='molstar']"); + const molstarStatus = root.querySelector("[data-role='molstar-status']"); + const elementById = new Map(data.elements.map((element) => [element.id, element])); + const residueByDssp = new Map(data.residues.map((residue) => [residue.dssp_index, residue])); + const elementByResidue = new Map(); + const residueByLookup = new Map(); + let selectedId = null; + let transform = { x: 0, y: 0, k: 1 }; + let drag = null; + let molstarViewer = null; + let lastMolstarResidue = ""; + + data.elements.forEach((element) => { + element.residue_ids.forEach((residueId, index) => { + const residue = residueByDssp.get(element.residue_indices[index]); + const keys = [ + residueId, + residueId.split(":").pop(), + residue ? `${residue.chain}:${residue.residue_number}${residue.insertion_code || ""}` : "", + residue ? `${residue.residue_number}${residue.insertion_code || ""}` : "" + ].filter(Boolean); + keys.forEach((key) => { + elementByResidue.set(key.toLowerCase(), element.id); + if (residue) residueByLookup.set(key.toLowerCase(), residue); + }); + }); + }); + + function esc(value) { + return String(value) + .replace(/&/g, "&") + .replace(//g, ">") + .replace(/"/g, """) + .replace(/'/g, "'"); + } + + function clamp(value, min, max) { + return Math.max(min, Math.min(max, value)); + } + + function makeSvg(tag, attrs) { + const node = document.createElementNS("http://www.w3.org/2000/svg", tag); + Object.entries(attrs || {}).forEach(([key, value]) => { + if (value === null || value === undefined) return; + if (key === "textContent") node.textContent = value; + else node.setAttribute(key, value); + }); + return node; + } + + function residuesFor(element) { + return element.residue_indices + .map((dsspIndex) => residueByDssp.get(dsspIndex)) + .filter(Boolean); + } + + function layoutElements() { + const count = Math.max(1, data.elements.length); + const columns = Math.min(14, Math.max(6, Math.ceil(Math.sqrt(count * 1.8)))); + const left = 58; + const top = 52; + const colGap = 78; + const rowGap = 208; + const diagramWidth = left * 2 + (columns - 1) * colGap + 70; + let maxBottom = top; + + data.elements.forEach((element, index) => { + const row = Math.floor(index / columns); + const rawCol = index % columns; + const col = row % 2 === 0 ? rawCol : columns - rawCol - 1; + const stagger = ((index + row) % 3) * 12; + const lengthHeight = 52 + element.length * 3.2; + element.w = element.type === "helix" ? 38 : 42; + element.h = Math.max(74, Math.min(168, lengthHeight)); + element.x = left + col * colGap; + element.y = top + row * rowGap + stagger; + element.cx = element.x + element.w / 2; + element.cy = element.y + element.h / 2; + element.direction = index % 2 === 0 ? 1 : -1; + maxBottom = Math.max(maxBottom, element.y + element.h + 52); + }); + + svg.setAttribute("viewBox", `0 0 ${diagramWidth} ${maxBottom + 36}`); + } + + function flowStart(element) { + return element.direction > 0 + ? { x: element.cx, y: element.y } + : { x: element.cx, y: element.y + element.h }; + } + + function flowEnd(element) { + return element.direction > 0 + ? { x: element.cx, y: element.y + element.h } + : { x: element.cx, y: element.y }; + } + + function connectorPath(a, b) { + const start = flowEnd(a); + const end = flowStart(b); + const midY = Math.abs(start.y - end.y) < 16 + ? start.y + (start.y <= end.y ? 26 : -26) + : (start.y + end.y) / 2; + return `M ${start.x} ${start.y} L ${start.x} ${midY} L ${end.x} ${midY} L ${end.x} ${end.y}`; + } + + function linkPath(a, b) { + const lift = Math.abs(a.cy - b.cy) < 24 ? -58 : 0; + const midY = (a.cy + b.cy) / 2 + lift; + return `M ${a.cx} ${a.cy} C ${a.cx} ${midY}, ${b.cx} ${midY}, ${b.cx} ${b.cy}`; + } + + function drawConnectors() { + connectorsLayer.replaceChildren(); + for (let i = 0; i < data.elements.length - 1; i += 1) { + const a = data.elements[i]; + const b = data.elements[i + 1]; + const path = makeSvg("path", { + class: a.chain === b.chain ? "connector" : "connector chain-break", + d: connectorPath(a, b) + }); + connectorsLayer.appendChild(path); + } + drawTermini(); + } + + function drawTermini() { + if (!data.elements.length) return; + const first = data.elements[0]; + const last = data.elements[data.elements.length - 1]; + const start = flowStart(first); + const end = flowEnd(last); + connectorsLayer.appendChild(makeSvg("text", { + class: "terminus n", + x: start.x - 18, + y: start.y + 6, + textContent: "N" + })); + connectorsLayer.appendChild(makeSvg("text", { + class: "terminus c", + x: end.x + 12, + y: end.y + 6, + textContent: "C" + })); + } + + function drawLinks() { + linksLayer.replaceChildren(); + data.links.forEach((link) => { + const a = elementById.get(link.source); + const b = elementById.get(link.target); + if (!a || !b) return; + const path = makeSvg("path", { + class: "beta-link", + d: linkPath(a, b), + "data-link": `${link.source}:${link.target}`, + "data-source": link.source, + "data-target": link.target, + "stroke-width": Math.min(7, 1.2 + Math.sqrt(link.count)) + }); + path.appendChild(makeSvg("title", { + textContent: `${link.source} to ${link.target}: ${link.count} DSSP bridge contacts` + })); + linksLayer.appendChild(path); + }); + } + + function drawHelix(group, element) { + group.appendChild(makeSvg("rect", { + class: "sse-shape", + x: element.x, + y: element.y, + width: element.w, + height: element.h, + rx: element.w / 2, + ry: element.w / 2 + })); + group.appendChild(makeSvg("rect", { + class: "selection-ring", + x: element.x - 6, + y: element.y - 6, + width: element.w + 12, + height: element.h + 12, + rx: element.w / 2 + 6, + ry: element.w / 2 + 6 + })); + } + + function strandPoints(element) { + const head = Math.min(30, Math.max(22, element.h * 0.22)); + const x = element.x; + const y = element.y; + const w = element.w; + const h = element.h; + if (element.direction > 0) { + return [ + `${x},${y}`, + `${x + w},${y}`, + `${x + w},${y + h - head}`, + `${x + w * 0.68},${y + h - head}`, + `${x + w / 2},${y + h}`, + `${x + w * 0.32},${y + h - head}`, + `${x},${y + h - head}` + ].join(" "); + } + return [ + `${x + w / 2},${y}`, + `${x + w * 0.68},${y + head}`, + `${x + w},${y + head}`, + `${x + w},${y + h}`, + `${x},${y + h}`, + `${x},${y + head}`, + `${x + w * 0.32},${y + head}` + ].join(" "); + } + + function drawStrand(group, element) { + group.appendChild(makeSvg("polygon", { + class: "sse-shape", + points: strandPoints(element) + })); + group.appendChild(makeSvg("rect", { + class: "selection-ring", + x: element.x - 6, + y: element.y - 6, + width: element.w + 12, + height: element.h + 12, + rx: 3 + })); + } + + function drawElements() { + elementsLayer.replaceChildren(); + data.elements.forEach((element) => { + const group = makeSvg("g", { + class: "sse", + "data-element-id": element.id, + tabindex: 0 + }); + if (element.type === "helix") drawHelix(group, element); + else drawStrand(group, element); + + group.appendChild(makeSvg("line", { + class: "residue-tick", + x1: element.x - 7, + x2: element.x + element.w + 7, + y1: element.cy, + y2: element.cy + })); + group.appendChild(makeSvg("text", { + class: "element-label", + x: element.cx, + y: element.y - 12, + textContent: element.id + })); + group.appendChild(makeSvg("text", { + class: "residue-label", + x: element.cx, + y: element.y + element.h + 16, + textContent: `${element.start_residue}-${element.end_residue}` + })); + + group.addEventListener("mouseenter", (event) => showResidueTooltip(event, element, group)); + group.addEventListener("mousemove", (event) => showResidueTooltip(event, element, group)); + group.addEventListener("mouseleave", () => { + group.classList.remove("has-residue"); + hideTooltip(); + clearMolstarHover(); + }); + group.addEventListener("click", (event) => { + event.stopPropagation(); + selectElement(element.id, residueAtEvent(event, element)); + }); + group.addEventListener("keydown", (event) => { + if (event.key === "Enter" || event.key === " ") selectElement(element.id, residuesFor(element)[0]); + }); + elementsLayer.appendChild(group); + }); + } + + function residueAtEvent(event, element) { + const residues = residuesFor(element); + if (!residues.length) return null; + const point = svg.createSVGPoint(); + point.x = event.clientX; + point.y = event.clientY; + const matrix = viewport.getScreenCTM(); + if (!matrix) return residues[0]; + const local = point.matrixTransform(matrix.inverse()); + const t = clamp((local.y - element.y) / element.h, 0, 1); + const raw = element.direction > 0 ? t : 1 - t; + const index = Math.round(raw * (residues.length - 1)); + return residues[clamp(index, 0, residues.length - 1)]; + } + + function updateResidueTick(group, element, residue) { + if (!residue) { + group.classList.remove("has-residue"); + return; + } + const residues = residuesFor(element); + const index = residues.findIndex((item) => item.dssp_index === residue.dssp_index); + if (index < 0) return; + const t = residues.length <= 1 ? 0.5 : index / (residues.length - 1); + const visualT = element.direction > 0 ? t : 1 - t; + const y = element.y + visualT * element.h; + const tick = group.querySelector(".residue-tick"); + tick.setAttribute("y1", y); + tick.setAttribute("y2", y); + group.classList.add("has-residue"); + } + + function showResidueTooltip(event, element, group) { + const residue = residueAtEvent(event, element); + updateResidueTick(group, element, residue); + if (!residue) return; + const bridges = [residue.bp1, residue.bp2].filter(Boolean).join(", ") || "none"; + const acc = residue.accessibility === null || residue.accessibility === undefined + ? "not available" + : residue.accessibility; + const coords = residue.x === null || residue.x === undefined + ? "not available" + : `${Number(residue.x).toFixed(2)}, ${Number(residue.y).toFixed(2)}, ${Number(residue.z).toFixed(2)}`; + tooltip.innerHTML = ` + ${esc(residue.residue_id)} ${esc(residue.aa)}
+ ${esc(residue.ss_name)} (${esc(residue.ss)}) in ${esc(element.id)}
+ DSSP row ${esc(residue.dssp_index)}; ACC ${esc(acc)}; BP ${esc(bridges)}
+ XYZ ${esc(coords)} + `; + tooltip.style.display = "block"; + moveTooltip(event); + highlightMolstarResidue(residue, "highlight"); + } + + function moveTooltip(event) { + const box = root.getBoundingClientRect(); + tooltip.style.left = `${event.clientX - box.left + 14}px`; + tooltip.style.top = `${event.clientY - box.top + 14}px`; + } + + function hideTooltip() { + tooltip.style.display = "none"; + } + + function selectElement(elementId, residue) { + selectedId = elementId; + const element = elementById.get(elementId); + root.querySelectorAll("[data-element-id]").forEach((node) => { + node.classList.toggle("selected", node.getAttribute("data-element-id") === elementId); + }); + root.querySelectorAll("[data-link]").forEach((node) => { + const linked = node.getAttribute("data-source") === elementId || node.getAttribute("data-target") === elementId; + node.classList.toggle("link-selected", linked); + }); + if (!element) return; + const acc = element.accessibility_mean === null || element.accessibility_mean === undefined + ? "not available" + : element.accessibility_mean; + const residueLine = residue + ? `
Residue: ${esc(residue.residue_id)} ${esc(residue.aa)}, DSSP ${esc(residue.dssp_index)}, ACC ${esc(residue.accessibility ?? "not available")}, BP ${esc([residue.bp1, residue.bp2].filter(Boolean).join(", ") || "none")}.` + : ""; + details.innerHTML = ` + ${esc(element.id)} ${esc(element.ss_name)} + chain ${esc(element.chain)}, residues ${esc(element.start_residue)}-${esc(element.end_residue)}, + DSSP rows ${element.start_dssp}-${element.end_dssp}, length ${element.length}, + mean ACC ${esc(acc)}. + ${residueLine} +
Sequence: ${esc(element.sequence)} + `; + if (residue) highlightMolstarResidue(residue, "select"); + } + + function jumpToResidue() { + const query = residueInput.value.trim().toLowerCase(); + if (!query) return; + const elementId = elementByResidue.get(query); + if (!elementId) { + details.innerHTML = `No secondary-structure element contains residue ${esc(residueInput.value)}.`; + return; + } + selectElement(elementId, residueByLookup.get(query)); + } + + function applyTransform() { + viewport.setAttribute("transform", `translate(${transform.x} ${transform.y}) scale(${transform.k})`); + } + + function zoomBy(factor) { + transform.k = Math.max(0.25, Math.min(5, transform.k * factor)); + applyTransform(); + } + + function resetView() { + transform = { x: 0, y: 0, k: 1 }; + applyTransform(); + } + + function downloadJson() { + const blob = new Blob([JSON.stringify(data, null, 2)], { type: "application/json" }); + const url = URL.createObjectURL(blob); + const link = document.createElement("a"); + link.href = url; + link.download = `${(data.name || "dssp-topology").replace(/\W+/g, "_")}.json`; + document.body.appendChild(link); + link.click(); + link.remove(); + URL.revokeObjectURL(url); + } + + function loadCssOnce(url, id) { + if (document.getElementById(id)) return; + const link = document.createElement("link"); + link.id = id; + link.rel = "stylesheet"; + link.href = url; + document.head.appendChild(link); + } + + function loadScriptOnce(url, id) { + if (window.molstar) return Promise.resolve(); + const existing = document.getElementById(id); + if (existing && existing.dataset.ready === "true") return Promise.resolve(); + if (existing && existing.dataset.loading === "true") { + return new Promise((resolve, reject) => { + existing.addEventListener("load", resolve, { once: true }); + existing.addEventListener("error", reject, { once: true }); + }); + } + return new Promise((resolve, reject) => { + const script = document.createElement("script"); + script.id = id; + script.dataset.loading = "true"; + script.src = url; + script.onload = () => { + script.dataset.ready = "true"; + resolve(); + }; + script.onerror = reject; + document.head.appendChild(script); + }); + } + + function afdbModelId(accession) { + if (!accession) return ""; + if (accession.toUpperCase().startsWith("AF-")) return accession; + return `AF-${accession}-F1`; + } + + async function fetchAfdbRecord(accession) { + const response = await fetch(`https://alphafold.ebi.ac.uk/api/prediction/${encodeURIComponent(accession)}`); + if (!response.ok) throw new Error(`AlphaFold API returned ${response.status}`); + const payload = await response.json(); + const record = Array.isArray(payload) ? payload[0] : payload; + if (!record) return null; + return { + modelId: record.modelEntityId || record.entryId || afdbModelId(accession), + cifUrl: record.cifUrl || record.cif_url || record.cifFileUrl || record.downloadUrl || null, + pdbUrl: record.pdbUrl || record.pdb_url || null + }; + } + + async function initMolstar() { + if (!molstarNode || !data.afdb_accession) return; + try { + if (molstarStatus) molstarStatus.textContent = "Fetching AlphaFold metadata..."; + const record = await fetchAfdbRecord(data.afdb_accession).catch(() => null); + loadCssOnce("https://cdn.jsdelivr.net/npm/molstar@5.4.2/build/viewer/molstar.css", "molstar-viewer-css"); + await loadScriptOnce("https://cdn.jsdelivr.net/npm/molstar@5.4.2/build/viewer/molstar.js", "molstar-viewer-js"); + if (molstarStatus) molstarStatus.textContent = "Loading 3D model..."; + molstarViewer = await window.molstar.Viewer.create(molstarNode, { + layoutIsExpanded: false, + layoutShowControls: false, + layoutShowRemoteState: false, + layoutShowSequence: true, + layoutShowLog: false, + layoutShowLeftPanel: false, + viewportShowExpand: true, + viewportShowSelectionMode: false, + viewportShowAnimation: false, + viewportBackgroundColor: "white" + }); + const primaryId = record?.modelId || afdbModelId(data.afdb_accession); + if (molstarViewer.loadAlphaFoldDb) { + await molstarViewer.loadAlphaFoldDb(primaryId).catch(async () => { + await molstarViewer.loadAlphaFoldDb(data.afdb_accession); + }); + } else if (record?.cifUrl) { + await molstarViewer.loadStructureFromUrl(record.cifUrl, "mmcif", false); + } else { + await molstarViewer.loadStructureFromUrl( + `https://alphafold.ebi.ac.uk/files/${primaryId}-model_v6.cif`, + "mmcif", + false + ); + } + if (molstarStatus) molstarStatus.textContent = "Hover or click topology residues to link 2D and 3D."; + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* could not load: ${error.message || error}`; + } + } + + function highlightMolstarResidue(residue, action) { + if (!molstarViewer || !molstarViewer.structureInteractivity || !residue) return; + const seq = residue.resseq_int || Number.parseInt(residue.residue_number, 10); + if (!Number.isFinite(seq)) return; + const key = `${residue.chain}:${seq}:${action}`; + if (action === "highlight" && key === lastMolstarResidue) return; + lastMolstarResidue = key; + try { + molstarViewer.structureInteractivity({ + elements: { + chain_id: residue.chain, + auth_asym_id: residue.chain, + label_asym_id: residue.chain, + beg_auth_seq_id: seq, + end_auth_seq_id: seq, + beg_label_seq_id: seq, + end_label_seq_id: seq + }, + action + }); + } catch (error) { + if (molstarStatus) molstarStatus.textContent = `Mol* residue link failed: ${error.message || error}`; + } + } + + function clearMolstarHover() { + lastMolstarResidue = ""; + try { + molstarViewer?.plugin?.managers?.interactivity?.clearHighlights?.(); + } catch (error) { + return; + } + } + + root.querySelector("[data-action='zoom-in']").addEventListener("click", () => zoomBy(1.2)); + root.querySelector("[data-action='zoom-out']").addEventListener("click", () => zoomBy(1 / 1.2)); + root.querySelector("[data-action='reset']").addEventListener("click", resetView); + root.querySelector("[data-action='jump']").addEventListener("click", jumpToResidue); + root.querySelector("[data-action='download-json']").addEventListener("click", downloadJson); + residueInput.addEventListener("keydown", (event) => { + if (event.key === "Enter") jumpToResidue(); + }); + linkToggle.addEventListener("change", () => { + linksLayer.style.display = linkToggle.checked ? "" : "none"; + }); + labelToggle.addEventListener("change", () => { + const display = labelToggle.checked ? "" : "none"; + root.querySelectorAll(".element-label,.residue-label,.terminus").forEach((node) => { + node.style.display = display; + }); + }); + + svg.addEventListener("wheel", (event) => { + event.preventDefault(); + zoomBy(event.deltaY < 0 ? 1.08 : 1 / 1.08); + }, { passive: false }); + svg.addEventListener("mousedown", (event) => { + if (event.button !== 0) return; + drag = { x: event.clientX, y: event.clientY }; + svg.classList.add("is-dragging"); + }); + window.addEventListener("mousemove", (event) => { + if (!drag) return; + const dx = event.clientX - drag.x; + const dy = event.clientY - drag.y; + transform.x += dx; + transform.y += dy; + drag.x = event.clientX; + drag.y = event.clientY; + applyTransform(); + }); + window.addEventListener("mouseup", () => { + drag = null; + svg.classList.remove("is-dragging"); + }); + + layoutElements(); + drawConnectors(); + drawLinks(); + drawElements(); + applyTransform(); + initMolstar(); +})(); +""".replace( + "__ROOT_ID__", root_id + ).replace( + "__DATA_ID__", data_id + ) + + root_class = "has-molstar" if afdb_accession else "" + return f""" +
+ +
+
+
{_html_escape(title)}
+
{_html_escape(subtitle)}
+
+ {stats["residue_count"]} residues; + {stats["helix_count"]} helices; + {stats["strand_count"]} strands; + {stats["beta_link_count"]} beta links; + chains: {_html_escape(", ".join(stats["chains"]))} +
+
+
+
+
+ + + + + + + +
+
+ +
+ Hover over a helix or strand to inspect residue-level DSSP attributes. Click a residue to pin the element and select it in Mol* when available. +
+
+ {molstar_panel} +
+
+ + +
+""" + + +def _html_escape(value: Any) -> str: + return ( + str(value) + .replace("&", "&") + .replace("<", "<") + .replace(">", ">") + .replace('"', """) + ) + + +def _decode_upload(value: Any) -> Optional[Tuple[str, str]]: + if not value: + return None + + if isinstance(value, dict): + name, item = next(iter(value.items())) + elif isinstance(value, (tuple, list)): + item = value[0] + name = item.get("name", "uploaded.dssp") + else: + return None + + content = item.get("content") + if isinstance(content, memoryview): + content = content.tobytes() + if isinstance(content, str): + text = content + else: + text = bytes(content).decode("utf-8", errors="replace") + return str(name), text + + +def make_app(default_path: str = DEFAULT_DSSP_PATH) -> Any: + import ipywidgets as widgets + from IPython.display import HTML, clear_output, display + + state: Dict[str, Any] = {"name": None, "text": None, "kind": None, "metadata": None} + + uploader = widgets.FileUpload( + accept=".cif,.mmcif,.dssp", + multiple=False, + description="Upload file", + layout=widgets.Layout(width="180px"), + ) + afdb_input = widgets.Text( + value="", + placeholder="P07949", + description="AFDB AC", + tooltip="UniProt/AlphaFold DB accession used to fetch AlphaFold v6 mmCIF and Mol*", + layout=widgets.Layout(width="220px"), + ) + fetch_afdb_button = widgets.Button( + description="Fetch AFDB topology", + button_style="success", + tooltip="Fetch the AlphaFold DB mmCIF and derive a PDBe-style topology", + layout=widgets.Layout(width="180px"), + ) + visualize_button = widgets.Button( + description="Visualize topology", + button_style="primary", + tooltip="Parse the loaded CIF/DSSP file and draw the topology", + layout=widgets.Layout(width="180px"), + ) + example_button = widgets.Button( + description="Load P07949 example", + tooltip="Load the DSSP file path supplied with this project", + disabled=not Path(default_path).exists(), + layout=widgets.Layout(width="180px"), + ) + status = widgets.HTML( + value="Enter an AFDB accession and fetch topology, or upload a .cif/.mmcif/.dssp file." + ) + output = widgets.Output( + layout=widgets.Layout(border="1px solid #d4dce6", min_height="680px") + ) + + def _kind_from_name(name: str) -> str: + suffix = Path(name).suffix.lower() + if suffix in {".cif", ".mmcif"}: + return "cif" + return "dssp" + + def set_loaded( + name: str, + text: str, + kind: Optional[str] = None, + metadata: Optional[Dict[str, Any]] = None, + ) -> None: + state["name"] = name + state["text"] = text + state["kind"] = kind or _kind_from_name(name) + state["metadata"] = metadata + if not afdb_input.value.strip(): + afdb_input.value = _guess_afdb_accession(name) + status.value = ( + f"Loaded {_html_escape(name)} " + f"({len(text.splitlines())} lines, {state['kind']})." + ) + + def on_upload(change: Dict[str, Any]) -> None: + decoded = _decode_upload(change.get("new")) + if decoded is None: + return + set_loaded(*decoded) + + def visualize(_: Any = None) -> None: + if not state["text"]: + status.value = ( + "No CIF or DSSP file is loaded yet." + ) + return + afdb_accession = afdb_input.value.strip() or _guess_afdb_accession( + state["name"] or "" + ) + try: + if state.get("kind") == "cif": + topology = topology_from_alphafold_cif( + state["text"], + state["name"] or "uploaded.cif", + afdb_metadata=state.get("metadata"), + ) + else: + topology = topology_from_dssp( + state["text"], + state["name"] or "uploaded.dssp", + afdb_accession=afdb_accession, + ) + html = topology_html(topology) + except Exception as exc: # noqa: BLE001 - surface parser problems in the app. + status.value = f"Could not parse topology source: {_html_escape(exc)}" + return + + source_label = "PDBe renderer topology JSON" if topology.get("pdbe_api_data") else "DSSP fallback" + status.value = ( + f"Built {source_label}: {topology['stats']['residue_count']} residues, " + f"{topology['stats']['helix_count']} helices, " + f"{topology['stats']['strand_count']} strands" + f"{'; Mol* linked to ' + _html_escape(afdb_accession) if afdb_accession else ''}." + ) + with output: + clear_output(wait=True) + display(HTML(html)) + + def load_example(_: Any = None) -> None: + path = Path(default_path) + if not path.exists(): + status.value = f"Example file not found: {_html_escape(path)}" + return + afdb_input.value = _guess_afdb_accession(path.name) + set_loaded(path.name, path.read_text(encoding="utf-8", errors="replace")) + visualize() + + def fetch_afdb(_: Any = None) -> None: + accession = afdb_input.value.strip() + if not accession: + status.value = "Enter an AlphaFold DB accession first." + return + status.value = f"Fetching AlphaFold DB mmCIF for {_html_escape(accession)}..." + try: + metadata, cif_text = fetch_alphafold_cif(accession) + name = f"{metadata.get('modelEntityId') or metadata.get('entryId') or accession}.cif" + set_loaded(name, cif_text, kind="cif", metadata=metadata) + visualize() + except Exception as exc: # noqa: BLE001 - show network/parser failures in widget. + status.value = f"Could not fetch AlphaFold DB model: {_html_escape(exc)}" + + uploader.observe(on_upload, names="value") + visualize_button.on_click(visualize) + fetch_afdb_button.on_click(fetch_afdb) + example_button.on_click(load_example) + + app_style = widgets.HTML( + """ + + """ + ) + header = widgets.HTML( + """ +
+

DSSP Topology Viewer

+

Fetch an AlphaFold mmCIF, derive secondary-structure topology, and render it with the PDBe topology viewer architecture.

+
+ """ + ) + controls = widgets.HBox( + [afdb_input, fetch_afdb_button, uploader, visualize_button, example_button], + layout=widgets.Layout(flex_flow="row wrap", gap="8px"), + ) + return widgets.VBox( + [app_style, header, controls, status, output], + layout=widgets.Layout(gap="10px", width="100%"), + ) + + +if __name__ == "__main__": + from IPython.display import display + + app = make_app() + display(app) diff --git a/topology/dssp_topology_voila.ipynb b/topology/dssp_topology_voila.ipynb new file mode 100644 index 0000000..925412b --- /dev/null +++ b/topology/dssp_topology_voila.ipynb @@ -0,0 +1,74 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "a0910b86", + "metadata": {}, + "source": [ + "# AlphaFold Topology Viewer\n", + "\n", + "Fetch an AlphaFold DB mmCIF or upload a local CIF/DSSP file, then render an interactive clean topology linked to Mol*." + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "b57f24ec", + "metadata": {}, + "outputs": [ + { + "data": { + "application/vnd.jupyter.widget-view+json": { + "model_id": "af750b7c6e5341c993c71ed92b4f655f", + "version_major": 2, + "version_minor": 0 + }, + "text/plain": [ + "VBox(children=(HTML(value='\\n