wedock.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {
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   },
   "source": [
    "# **Programmatic Molecular Docking**\n",
    "\n",
    "This <font color='orange'>**LABODOCK**</font>**BINDER** notebook is designed for conducting basic molecular docking procedures using **Autodock Vina 1.2.5** and performing binding interaction analysis with **PLIP 2.3.0**. \n"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Introduction\n",
    "labodock_binder is an enhanced iteration of Labodock (https://github.com/RyanZR/labodock), with a primary focus on improved accessibility and user-friendliness. Notable modifications from Labodock version 2.0.0 include:\n",
    "\n",
    "**Seamless Access**: Unlike the original Google Colab login requirement, labodock_binder allows free access from Chrome, Firefox, and Safari, without the need for signup or login. This is made possible through the implementation of Binder technology (https://mybinder.org/).\n",
    "\n",
    "**Pre-built Images**: The labodock_binder image is pre-built. When a user clicks the link, the image is pulled from the cloud to the local browser, instead of installing all packages from scratch. This significantly accelerates the readiness for docking.\n",
    "\n",
    "**Simplified Execution**: labodock_binder streamlines the process with one-click execution, eliminating the need for repetitive variable modifications.\n",
    "\n",
    "These enhancements collectively contribute to a more user-friendly and accessible experience. labodock_binder emerges as a versatile and convenient tool for users worldwide, requiring only internet availability—no Google account necessary.\n",
    "\n",
    "**High Safety Standard** :All code executed, data analyzed, and files uploaded during a Binder session, including any modifications to the docking notebook, are automatically deleted when the user logs off or becomes inactive for a few minutes. This ensures that there's no concern about temporary uploads, such as small molecule structures, being leaked. Additionally, Binder retains only the IP addresses associated with the service visits for 30 days, and this information is solely utilized to identify potential abuse of the Binder service. Rest assured that all modifications to the docking notebook are automatically cleared upon closing the browser window, and the platform prioritizes user privacy by minimizing data retention\n",
    "\n",
    "## Usage\n",
    "**PDB_ID** is a four-letter code from the PDB bank website, for example, 3HTB\n",
    "\n",
    "**Native_lig** below means the native ligand of the co-crystal structure of the PDB bank, it can be found on the PDB website, it should always be a three-letter code, for example, JZ4\n",
    "\n",
    "**smiles** is the small molecule you want to dock, you can obtain this from ChemDraw, from **Edit** > **Copy as smiles**"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Please replace the next 3 string value, then from top left **Run** click **Run All Cells**"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "PDB_ID = \"3HTB\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "tags": []
   },
   "outputs": [],
   "source": [
    "Native_lig = \"JZ4\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "smiles = \"c1ccccc1\""
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "FDIu2L1jfx5_",
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "---\n",
    "---\n",
    "# **01 | Setting Up Environment**\n",
    "\n",
    "Firstly, we install all the necessary libraries and packages."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "cellView": "form",
    "id": "dr15mv6Ner0h",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "--2024-07-01 12:04:13--  https://github.com/ccsb-scripps/AutoDock-Vina/releases/download/v1.2.5/vina_1.2.5_linux_x86_64\n",
      "Resolving github.com (github.com)... 140.82.121.4\n",
      "Connecting to github.com (github.com)|140.82.121.4|:443... connected.\n",
      "HTTP request sent, awaiting response... 302 Found\n",
      "Location: https://objects.githubusercontent.com/github-production-release-asset-2e65be/258054635/b208f84f-df05-4575-9991-2190698c7914?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=releaseassetproduction%2F20240701%2Fus-east-1%2Fs3%2Faws4_request&X-Amz-Date=20240701T120413Z&X-Amz-Expires=300&X-Amz-Signature=0372b160ec1e636e6ddc4a4b06b6e0fa3794071a359456cea48c798cbf0b52ba&X-Amz-SignedHeaders=host&actor_id=0&key_id=0&repo_id=258054635&response-content-disposition=attachment%3B%20filename%3Dvina_1.2.5_linux_x86_64&response-content-type=application%2Foctet-stream [following]\n",
      "--2024-07-01 12:04:13--  https://objects.githubusercontent.com/github-production-release-asset-2e65be/258054635/b208f84f-df05-4575-9991-2190698c7914?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=releaseassetproduction%2F20240701%2Fus-east-1%2Fs3%2Faws4_request&X-Amz-Date=20240701T120413Z&X-Amz-Expires=300&X-Amz-Signature=0372b160ec1e636e6ddc4a4b06b6e0fa3794071a359456cea48c798cbf0b52ba&X-Amz-SignedHeaders=host&actor_id=0&key_id=0&repo_id=258054635&response-content-disposition=attachment%3B%20filename%3Dvina_1.2.5_linux_x86_64&response-content-type=application%2Foctet-stream\n",
      "Resolving objects.githubusercontent.com (objects.githubusercontent.com)... 185.199.109.133, 185.199.108.133, 185.199.111.133, ...\n",
      "Connecting to objects.githubusercontent.com (objects.githubusercontent.com)|185.199.109.133|:443... connected.\n",
      "HTTP request sent, awaiting response... 200 OK\n",
      "Length: 4089576 (3.9M) [application/octet-stream]\n",
      "Saving to: ‘vina’\n",
      "\n",
      "vina                100%[===================>]   3.90M  25.6MB/s    in 0.2s    \n",
      "\n",
      "2024-07-01 12:04:14 (25.6 MB/s) - ‘vina’ saved [4089576/4089576]\n",
      "\n"
     ]
    }
   ],
   "source": [
    "!wget https://github.com/ccsb-scripps/AutoDock-Vina/releases/download/v1.2.5/vina_1.2.5_linux_x86_64 -O vina\n",
    "!chmod u+x vina"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "3X-mmyEnfimS",
    "outputId": "0b68e5aa-d3f4-427d-f64d-405f7f82c186",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ Import completed\n"
     ]
    }
   ],
   "source": [
    "# Internal Modules\n",
    "import os\n",
    "import glob\n",
    "import time\n",
    "import shutil\n",
    "# External modules\n",
    "import py3Dmol\n",
    "import plip\n",
    "# Data-related\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "import matplotlib.pyplot as plt\n",
    "from tqdm.notebook import tqdm\n",
    "# Docking-related\n",
    "from rdkit import Chem, RDLogger\n",
    "from rdkit.Chem import rdFMCS, AllChem, Draw\n",
    "from spyrmsd import io, rmsd\n",
    "# Binding interaction-related\n",
    "from plip.exchange.report import BindingSiteReport\n",
    "from plip.structure.preparation import PDBComplex\n",
    "print(f'+ Import completed')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "PST20Bo-k4W5",
    "outputId": "6c29edf1-7505-4c77-aefd-399285549f0f",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ Folder created: /home/jovyan/docking_folder\n",
      "+ Folder created: /home/jovyan/docking_folder/PROTEIN\n",
      "+ Folder created: /home/jovyan/docking_folder/LIGAND\n",
      "+ Folder created: /home/jovyan/docking_folder/NATIVE\n",
      "+ Folder created: /home/jovyan/docking_folder/DOCKING\n",
      "+ Folder created: /home/jovyan/docking_folder/INTERACTION\n"
     ]
    }
   ],
   "source": [
    "Job_name = 'docking_folder'   # @param {type: 'string'}\n",
    "invalid_chars = '^<>/\\\\{}[]~`$ '\n",
    "assert Job_name, 'Do not leave this blank.'\n",
    "assert not set(invalid_chars).intersection(Job_name), 'Disallowed characters.'\n",
    "\n",
    "DIR = os.getcwd()\n",
    "WRK_DIR = os.path.join(DIR, Job_name)\n",
    "PRT_FLD = os.path.join(WRK_DIR, 'PROTEIN')\n",
    "LIG_FLD = os.path.join(WRK_DIR, 'LIGAND')\n",
    "NTV_FLD = os.path.join(WRK_DIR, 'NATIVE')\n",
    "DCK_FLD = os.path.join(WRK_DIR, 'DOCKING')\n",
    "INT_FLD = os.path.join(WRK_DIR, 'INTERACTION')\n",
    "\n",
    "folders = [WRK_DIR, PRT_FLD, LIG_FLD, NTV_FLD, DCK_FLD, INT_FLD]\n",
    "\n",
    "for folder in folders:\n",
    "    if os.path.exists(folder):\n",
    "        print(f'+ Folder existed: {folder}')\n",
    "    else:\n",
    "        os.mkdir(folder)\n",
    "        print(f'+ Folder created: {folder}')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "peLezlh0pJ05",
    "outputId": "18ea921a-c36d-488b-b110-6fc5bbb595b2",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ Methods and functions successfully built\n"
     ]
    }
   ],
   "source": [
    "# @title **Set up utilities**\n",
    "# @markdown This creates important custom functions and methods for later\n",
    "# @markdown docking and binding interaction study.\n",
    "\n",
    "%alias vina ./vina\n",
    "\n",
    "#############################################\n",
    "# Suppress Warnings\n",
    "\n",
    "RDLogger.DisableLog('rdApp.warning')\n",
    "\n",
    "#############################################\n",
    "# Grid Box Calculation Methods\n",
    "\n",
    "class GridBox:\n",
    "\n",
    "    ranges = tuple[list[float], list[float], list[float]]\n",
    "    coords = tuple[float, float, float]\n",
    "    center_bxsize = tuple[tuple[float, float, float], tuple[float, float, float]]\n",
    "\n",
    "    def __init__(self, inpt_file: str) -> None:\n",
    "        self.inpt = open(inpt_file, 'r')\n",
    "        self.data = self.inpt.read()\n",
    "        self.cmol = Chem.MolFromPDBBlock(self.data)\n",
    "        self.conf = self.cmol.GetConformer()\n",
    "        self.ntom = self.cmol.GetNumAtoms()\n",
    "        self.inpt.close()\n",
    "\n",
    "    def update_gridbox(self, mol_block: str) -> None:\n",
    "        self.cmol = Chem.MolFromPDBBlock(mol_block)\n",
    "        self.conf = self.cmol.GetConformer()\n",
    "        self.ntom = self.cmol.GetNumAtoms()\n",
    "\n",
    "    def compute_coords(self) -> ranges:\n",
    "        x_coord = [self.conf.GetAtomPosition(c).x for c in range(self.ntom)]\n",
    "        y_coord = [self.conf.GetAtomPosition(c).y for c in range(self.ntom)]\n",
    "        z_coord = [self.conf.GetAtomPosition(c).z for c in range(self.ntom)]\n",
    "        return x_coord, y_coord, z_coord\n",
    "\n",
    "    def compute_ranges(self) -> ranges:\n",
    "        x, y, z = self.compute_coords()\n",
    "        x_range = [min(x), max(x)]\n",
    "        y_range = [min(y), max(y)]\n",
    "        z_range = [min(z), max(z)]\n",
    "        return x_range, y_range, z_range\n",
    "\n",
    "    def compute_center(self, use_range: bool = True) -> coords:\n",
    "        x, y, z = self.compute_ranges() if use_range else self.compute_coords()\n",
    "        x_center = round(np.mean(x), 3)\n",
    "        y_center = round(np.mean(y), 3)\n",
    "        z_center = round(np.mean(z), 3)\n",
    "        return x_center, y_center, z_center\n",
    "\n",
    "    def generate_res_molblock(self, residues_list: list[str]) -> str:\n",
    "        res_lines = [line for line in self.data.split('\\n')\n",
    "                     if line[22:26].lstrip() in residues_list\n",
    "                     and 'END' not in line]\n",
    "        res_block = '\\n'.join(res_lines)\n",
    "        return res_block\n",
    "\n",
    "    def labox(self, scale: float = 2.0) -> coords:\n",
    "        xr, yr, zr = self.compute_ranges()\n",
    "        center = self.compute_center()\n",
    "        bxsize = (round(abs(xr[0] - xr[1]) * scale, 3),\n",
    "                  round(abs(yr[0] - yr[1]) * scale, 3),\n",
    "                  round(abs(zr[0] - zr[1]) * scale, 3))\n",
    "        return center, bxsize\n",
    "\n",
    "    def eboxsize(self, gy_box_ratio: float = 0.23, modified: bool = False) -> center_bxsize:\n",
    "        xc, yc, zc = self.compute_coords()\n",
    "        center = self.compute_center(modified)\n",
    "        distsq = [(x-center[0])**2 + (y-center[1])**2 + (z-center[2])**2\n",
    "                  for x, y, z in zip(xc, yc, zc)]\n",
    "        bxsize = (round(np.sqrt(sum(distsq) / len(xc)) / gy_box_ratio, 3),) * 3\n",
    "        return center, bxsize\n",
    "\n",
    "    def autodock_grid(self) -> center_bxsize:\n",
    "        xr, yr, zr = self.compute_ranges()\n",
    "        center = self.compute_center()\n",
    "        bxsize = (22.5, 22.5, 22.5)\n",
    "        return center, bxsize\n",
    "\n",
    "    def defined_by_res(self, residue_number: str, scale: float = 1.25) -> center_bxsize:\n",
    "        res_list = residue_number.replace(',', ' ').split()\n",
    "        res_block = self.generate_res_molblock(res_list)\n",
    "        self.update_gridbox(res_block)\n",
    "        return self.labox(scale=scale)\n",
    "\n",
    "#############################################\n",
    "# RMSD Calculation Methods\n",
    "\n",
    "class ComputeRMSD:\n",
    "\n",
    "    def __init__(self) -> None:\n",
    "        self.MCS_mol = None\n",
    "        self.MCS_png = None\n",
    "\n",
    "    def load_molecule(self, inpt_file: str, remove_Hs: bool = True) -> tuple:\n",
    "        molecule = io.loadmol(inpt_file)\n",
    "        molecule.strip() if remove_Hs else None\n",
    "        name = os.path.basename(inpt_file).split('.')[0]\n",
    "        coor = molecule.coordinates\n",
    "        anum = molecule.atomicnums\n",
    "        mtrx = molecule.adjacency_matrix\n",
    "        cmol = Chem.MolFromPDBFile(inpt_file)\n",
    "        return name, coor, anum, mtrx, cmol\n",
    "\n",
    "    def mol_to_png(self, mol: object) -> object:\n",
    "        legend = 'Maximum Common Substructure'\n",
    "        png = Draw.MolToImage(mol, legend=legend)\n",
    "        return png\n",
    "\n",
    "    def find_MCS(self, ref: tuple, lig: tuple) -> object:\n",
    "        if self.MCS_mol is None:\n",
    "            MCS_obj = rdFMCS.FindMCS([ref[4], lig[4]])\n",
    "            MCS_mol = Chem.MolFromSmarts(MCS_obj.smartsString)\n",
    "            MCS_png = self.mol_to_png(MCS_mol)\n",
    "            self.MCS_mol = MCS_mol\n",
    "            self.MCS_png = MCS_png\n",
    "        return self.MCS_mol\n",
    "\n",
    "    def hung_RMSD(self, ref: tuple, lig: tuple) -> float:\n",
    "        try:\n",
    "            hRMSD = round(rmsd.hrmsd(ref[1], lig[1], ref[2], lig[2]), 3)\n",
    "        except:\n",
    "            hRMSD = 'ERROR'\n",
    "        return hRMSD\n",
    "\n",
    "    def symm_RMSD(self, ref: tuple, lig: tuple, minimise: bool = False) -> float:\n",
    "        try:\n",
    "            sRMSD = round(rmsd.symmrmsd(ref[1], lig[1], ref[2], lig[2], ref[3], lig[3], minimize=minimise), 3)\n",
    "        except:\n",
    "            sRMSD = 'ERROR'\n",
    "        return sRMSD\n",
    "\n",
    "    def labo_RMSD(self, ref: tuple, lig: tuple) -> float:\n",
    "        mol_substr = self.find_MCS(ref, lig)\n",
    "        ref_substr = ref[4].GetSubstructMatch(mol_substr)\n",
    "        lig_substr = lig[4].GetSubstructMatch(mol_substr)\n",
    "\n",
    "        distsq = []\n",
    "        for ref_atom, lig_atom in zip(ref_substr, lig_substr):\n",
    "            ref_pos = ref[4].GetConformer().GetAtomPosition(ref_atom)\n",
    "            lig_pos = lig[4].GetConformer().GetAtomPosition(lig_atom)\n",
    "            ref_coord = np.array((ref_pos.x, ref_pos.y, ref_pos.z))\n",
    "            lig_coord = np.array((lig_pos.x, lig_pos.y, lig_pos.z))\n",
    "            coo_dist = np.linalg.norm(ref_coord - lig_coord)\n",
    "            distsq.append(coo_dist ** 2)\n",
    "\n",
    "        try:\n",
    "            lRMSD = round(np.sqrt(sum(distsq)/len(distsq)), 3)\n",
    "        except:\n",
    "            lRMSD = 'ERROR'\n",
    "        return lRMSD\n",
    "\n",
    "    def rmsd_report(self,\n",
    "                    ref: tuple,\n",
    "                    lig: tuple,\n",
    "                    lRMSD: bool = True,\n",
    "                    hRMSD: bool = True,\n",
    "                    sRMSD: bool = True\n",
    "                    ) -> dict[str: list[float]]:\n",
    "        report = {}\n",
    "        report['NAME'] = [lig[0]]\n",
    "        report['LABO_RMSD'] = [self.labo_RMSD(ref, lig)] if lRMSD else None\n",
    "        report['HUNG_RMSD'] = [self.hung_RMSD(ref, lig)] if hRMSD else None\n",
    "        report['SYMM_RMSD'] = [self.symm_RMSD(ref, lig)] if sRMSD else None\n",
    "        report = {k: v for k, v in report.items() if v is not None}\n",
    "        return report\n",
    "\n",
    "#############################################\n",
    "# AA Consntant and Bond Colour Dictionary\n",
    "\n",
    "# Kyte and Doolittle Hydropathy Scale (1982)\n",
    "AA_HB = {'ALA':  1.8, 'ARG': -4.5, 'ASN': -3.5, 'ASP': -3.5, 'CYS':  2.5,\n",
    "         'GLN': -3.5, 'GLU': -3.5, 'GLY': -0.4, 'HIS': -3.2, 'ILE':  4.5,\n",
    "         'LEU':  3.8, 'LYS': -3.9, 'MET':  1.9, 'PHE':  2.8, 'PRO': -1.6,\n",
    "         'SER': -0.8, 'THR': -0.7, 'TRP': -0.9, 'TYR': -1.3, 'VAL':  4.2}\n",
    "\n",
    "# University of Calgary PI Scale\n",
    "AA_PI = {'ALA':  6.0, 'ARG': 10.76, 'ASN': 5.41, 'ASP': 2.77, 'CYS': 5.07,\n",
    "         'GLN': 5.65, 'GLU':  3.22, 'GLY': 5.97, 'HIS': 7.59, 'ILE': 6.02,\n",
    "         'LEU': 5.98, 'LYS':  9.74, 'MET': 5.74, 'PHE': 5.48, 'PRO':  6.3,\n",
    "         'SEC': 5.68, 'SER':  5.68, 'THR':  5.6, 'TRP': 5.89, 'TYR': 5.66,\n",
    "         'VAL': 5.96}\n",
    "\n",
    "BOND_COL = {'HYDROPHOBIC': ['0x59e382', 'GREEN'],\n",
    "            'HBOND': ['0x59bee3', 'LIGHT BLUE'],\n",
    "            'WATERBRIDGE': ['0x4c4cff', 'BLUE'],\n",
    "            'SALTBRIDGE': ['0xefd033', 'YELLOW'],\n",
    "            'PISTACKING': ['0xb559e3', 'PURPLE'],\n",
    "            'PICATION': ['0xe359d8', 'VIOLET'],\n",
    "            'HALOGEN': ['0x59bee3', 'LIGHT BLUE'],\n",
    "            'METAL':['0xe35959', 'ORANGE']}\n",
    "\n",
    "#############################################\n",
    "# AA-to-Colour Converter Function\n",
    "\n",
    "def sequential_gradient(value: float,\n",
    "                        min_value: float,\n",
    "                        max_value: float,\n",
    "                        targ_colour: str = '00ff00',\n",
    "                        interpolation: float = 0.0\n",
    "                        ) -> str:\n",
    "    norm_val = (value - min_value) / (max_value - min_value)\n",
    "\n",
    "    rgb = tuple(int(targ_colour[d:d+2], 16) for d in (0, 2, 4))\n",
    "    r = int(255 - (255 - rgb[0]) * (1 - interpolation) * norm_val)\n",
    "    g = int(255 - (255 - rgb[1]) * (1 - interpolation) * norm_val)\n",
    "    b = int(255 - (255 - rgb[2]) * (1 - interpolation) * norm_val)\n",
    "\n",
    "    hex_code = f'#{r:02x}{g:02x}{b:02x}'\n",
    "    return hex_code\n",
    "\n",
    "def diverging_gradient(value: float,\n",
    "                       min_value: float,\n",
    "                       max_value: float,\n",
    "                       base_colour: str = 'ff0000',\n",
    "                       targ_colour: str = '0000ff',\n",
    "                       interpolation: float = 0.3\n",
    "                       ) -> str:\n",
    "    norm_val = (value - min_value) / (max_value - min_value)\n",
    "\n",
    "    white = (255, 255, 255)\n",
    "    rgb_A = tuple(int(base_colour[d:d+2], 16) for d in (0, 2, 4))\n",
    "    rgb_B = tuple(int(targ_colour[d:d+2], 16) for d in (0, 2, 4))\n",
    "\n",
    "    if norm_val < 0.5 - interpolation / 2:\n",
    "        factor = norm_val / (0.5 - interpolation / 2)\n",
    "        r = int(rgb_A[0] + (white[0] - rgb_A[0]) * factor)\n",
    "        g = int(rgb_A[1] + (white[1] - rgb_A[1]) * factor)\n",
    "        b = int(rgb_A[2] + (white[2] - rgb_A[2]) * factor)\n",
    "    elif norm_val > 0.5 + interpolation / 2:\n",
    "        factor = (norm_val - 0.5 - interpolation / 2) / (0.5 - interpolation / 2)\n",
    "        r = int(white[0] + (rgb_B[0] - white[0]) * factor)\n",
    "        g = int(white[1] + (rgb_B[1] - white[1]) * factor)\n",
    "        b = int(white[2] + (rgb_B[2] - white[2]) * factor)\n",
    "    else:\n",
    "        r, g, b = white\n",
    "\n",
    "    hex_code = f'#{r:02x}{g:02x}{b:02x}'\n",
    "    return hex_code\n",
    "\n",
    "def a2c_converter(aa_map: dict, grad_func: 'function') -> dict:\n",
    "    min_value = min(aa_map.values())\n",
    "    max_value = max(aa_map.values())\n",
    "    aa_dict = {aa: grad_func(value, min_value, max_value)\n",
    "               for aa, value in aa_map.items()}\n",
    "    return aa_dict\n",
    "\n",
    "#############################################\n",
    "# Built-in Styling Function\n",
    "\n",
    "def builtin_style(style: str, opacity: float = 1.0) -> dict:\n",
    "    match style:\n",
    "        case _ if any(kw in style for kw in ('Carbon', 'chain', 'ssJmol', 'ssPyMol')):\n",
    "            style_dict = {'colorscheme': style}\n",
    "        case 'hydrophobicity':\n",
    "            style_dict = {'colorscheme': {\n",
    "                'prop': 'resn', 'map': a2c_converter(AA_HB, sequential_gradient)}}\n",
    "        case 'isoelectric points':\n",
    "            style_dict = {'colorscheme': {\n",
    "                'prop': 'resn', 'map': a2c_converter(AA_PI, diverging_gradient)}}\n",
    "        case 'b factor':\n",
    "            style_dict = {'colorscheme': {\n",
    "                'prop': 'b', 'gradient': 'rwb', 'min': 90, 'max': 50}}\n",
    "        case _:\n",
    "            style_dict = {'color': style}\n",
    "\n",
    "    style_dict.update({'opacity': opacity, 'singleBonds': False})\n",
    "    return style_dict\n",
    "\n",
    "#############################################\n",
    "# Built-in Colour Scale Function\n",
    "\n",
    "def colour_scale(aa_map: dict, grad_func: 'function') -> None:\n",
    "    min_value = min(aa_map.values())\n",
    "    max_value = max(aa_map.values())\n",
    "\n",
    "    linear_values = np.linspace(min_value, max_value, 100)\n",
    "    colours = [grad_func(value, min_value, max_value)\n",
    "               for value in linear_values]\n",
    "\n",
    "    fig, ax = plt.subplots(figsize=(4.85, 0.25))\n",
    "    norm_value = plt.Normalize(min_value, max_value)\n",
    "    colour_map = plt.cm.colors.ListedColormap(colours)\n",
    "    scalar_map = plt.cm.ScalarMappable(norm_value, colour_map)\n",
    "    scalar_map.set_array([])\n",
    "\n",
    "    cscale = plt.colorbar(scalar_map, ax, orientation='horizontal')\n",
    "    cscale.set_ticks([min_value, max_value])\n",
    "\n",
    "def show_cscale(rept_info: dict, surf_info: dict) -> None:\n",
    "\n",
    "    def cs_selector() -> str:\n",
    "        if any(surf_info):\n",
    "            style = [*surf_info.values()][0]\n",
    "        elif any(rept_info):\n",
    "            style = [*rept_info.values()][0]\n",
    "        else:\n",
    "            style = None\n",
    "        return style\n",
    "\n",
    "    def cs_display(style: str):\n",
    "        if style == 'hydrophobicity':\n",
    "            label_title(style, 'Less', 'More')\n",
    "            colour_scale(AA_HB, sequential_gradient)\n",
    "        elif style == 'isoelectric points':\n",
    "            label_title(style, 'Acid', 'Base')\n",
    "            colour_scale(AA_PI, diverging_gradient)\n",
    "        else:\n",
    "            pass\n",
    "\n",
    "    def label_title(text: str, min: str, max: str) -> None:\n",
    "        print(f'-' * 55)\n",
    "        print(f'{min}{text.upper():^47}{max}')\n",
    "        print(f'-' * 55)\n",
    "\n",
    "    cs_display(cs_selector())\n",
    "\n",
    "#############################################\n",
    "# Other Functions\n",
    "\n",
    "def extract_config(inpt_file: str) -> tuple:\n",
    "    with open(inpt_file, 'r') as inpt:\n",
    "        data = [line.split() for line in inpt.readlines()]\n",
    "    center = (float(data[0][2]), float(data[1][2]), float(data[2][2]))\n",
    "    bxsize = (float(data[4][2]), float(data[5][2]), float(data[6][2]))\n",
    "    return center, bxsize\n",
    "\n",
    "def interaction_dict(inpt_file: str, interactions: str = '', usage: str = 'view' or 'lbsp') -> dict:\n",
    "\n",
    "    usg_map = {'lbsp': 0, 'view': 1}\n",
    "\n",
    "    def filter_df(int_df: pd.DataFrame, interactions: list = []) -> pd.DataFrame:\n",
    "        int_df = int_df[int_df['BOND'].isin(interactions)] if interactions else int_df\n",
    "        return int_df\n",
    "\n",
    "    def s2f_dict(item: dict) -> dict:\n",
    "        return {key: tuple(float(val) for val in value[1:-1].split(','))\n",
    "                for key, value in item.items()}\n",
    "\n",
    "    def b2c_dict(item: dict) -> dict:\n",
    "        return {key: BOND_COL[val][usg_map[usage]] for key, val in item.items()}\n",
    "\n",
    "    intrxn = interactions.replace(',', ' ').split()\n",
    "    inter_df = pd.read_csv(inpt_file)\n",
    "    int_dict = filter_df(inter_df, intrxn).to_dict()\n",
    "    int_dict['LIGCOO'] = s2f_dict(int_dict['LIGCOO'])\n",
    "    int_dict['PROTCOO'] = s2f_dict(int_dict['PROTCOO'])\n",
    "    int_dict['COLOR'] = b2c_dict(int_dict['BOND'])\n",
    "\n",
    "    return int_dict\n",
    "\n",
    "def find_midpoint(coords: list) -> tuple[float, float, float]:\n",
    "    return tuple(round(coord, 3) for coord in np.mean(coords, axis=0))\n",
    "\n",
    "#############################################\n",
    "# LaboSpace Viewer\n",
    "\n",
    "class LaboSpace:\n",
    "\n",
    "    residue_style = {\n",
    "        'stick':\n",
    "         {'colorscheme': 'orangeCarbon', 'radius': 0.15}}\n",
    "    residue_label = {\n",
    "        'alignment': 'bottomLeft',\n",
    "        'showBackground': False,\n",
    "        'inFront': True,\n",
    "        'fontSize': 14,\n",
    "        'fontColor': '0x000000',\n",
    "        'screenOffset': {'x': 25, 'y': 25}}\n",
    "    atom_label = {\n",
    "        'alignment': 'bottomLeft',\n",
    "        'showBackground': False,\n",
    "        'inFront': True,\n",
    "        'fontSize': 14,\n",
    "        'fontColor': '0x000000',\n",
    "        'screenOffset': {'x': 10, 'y': 10}}\n",
    "\n",
    "    def __init__(self, vw: int = 500, vh: int = 500) -> None:\n",
    "        self.mview = py3Dmol.view(width=vw, height=vh)\n",
    "        self.count = -1\n",
    "        self.residues = []\n",
    "\n",
    "    def read_moldata(self, inpt_file: str) -> str:\n",
    "        inpt = open(inpt_file, 'r')\n",
    "        data = inpt.read()\n",
    "        inpt.close()\n",
    "        return data\n",
    "\n",
    "    def load_receptor(self, inpt_file: str) -> object:\n",
    "        data = self.read_moldata(inpt_file)\n",
    "        self.mview.addModel(data, 'pdb')\n",
    "        self.count += 1\n",
    "        return self\n",
    "\n",
    "    def load_ligand(self, inpt_file: str) -> object:\n",
    "        data = self.read_moldata(inpt_file)\n",
    "        self.mview.addModel(data)\n",
    "        self.count += 1\n",
    "        return self\n",
    "\n",
    "    def set_style(self,\n",
    "                  show_represent: bool = True,\n",
    "                  represent_type: str = 'cartoon',\n",
    "                  represent_style: dict = {}\n",
    "                  ) -> object:\n",
    "        if show_represent:\n",
    "            self.mview.setStyle(\n",
    "                {'model': self.count},\n",
    "                {represent_type: represent_style})\n",
    "        else:\n",
    "            self.mview.setStyle(\n",
    "                {'model': self.count},\n",
    "                {})\n",
    "        return self\n",
    "\n",
    "    def add_style(self,\n",
    "                  show_represent: bool = True,\n",
    "                  represent_style: dict = {}\n",
    "                  ) -> object:\n",
    "        if show_represent:\n",
    "            self.mview.addStyle(\n",
    "                {'model': self.count},\n",
    "                represent_style)\n",
    "        return self\n",
    "\n",
    "    def add_residues(self,\n",
    "                     show_residues: bool = True,\n",
    "                     residue_number: str = ''\n",
    "                     ) -> object:\n",
    "        if show_residues and residue_number:\n",
    "            res = residue_number.replace(',', ' ').split()\n",
    "            self.residues.extend(list(set(res)))\n",
    "            self.mview.addStyle(\n",
    "                {'and': [{'model': self.count}, {'resi': self.residues}]},\n",
    "                self.residue_style)\n",
    "            self.mview.addResLabels(\n",
    "                {'and': [{'model': self.count}, {'resi': self.residues}]},\n",
    "                self.residue_label)\n",
    "        return self\n",
    "\n",
    "    def add_surface(self,\n",
    "                    show_surface: bool = True,\n",
    "                    surface_type: str = 'SES',\n",
    "                    surface_style: dict = {}\n",
    "                    ) -> object:\n",
    "        if show_surface:\n",
    "            self.mview.addSurface(\n",
    "                surface_type,\n",
    "                surface_style,\n",
    "                {'model': self.count})\n",
    "        return self\n",
    "\n",
    "    def add_gridbox(self,\n",
    "                    show_gridbox: bool,\n",
    "                    center: list[float],\n",
    "                    bxsize: list[float]\n",
    "                    ) -> object:\n",
    "        if show_gridbox:\n",
    "            bxi, byi, bzi = center\n",
    "            bxf, byf, bzf = bxsize\n",
    "            self.mview.addBox({\n",
    "                'center': {'x': bxi, 'y': byi, 'z': bzi},\n",
    "                'dimensions': {'w': bxf, 'h': byf, 'd': bzf},\n",
    "                'color': 'skyBlue',\n",
    "                'opacity': 0.6})\n",
    "            self.mview.addLabel(\n",
    "                f'center: {bxi:>8}, {byi:>8}, {bzi:>8}',\n",
    "                {'showBackground': False,\n",
    "                 'fontSize': 14,\n",
    "                 'fontColor': '0x000000',\n",
    "                 'useScreen': True,\n",
    "                 'screenOffset': {'x': 15, 'y': 0}})\n",
    "            self.mview.addLabel(\n",
    "                f'bxsize: {bxf:>8}, {byf:>8}, {bzf:>8}',\n",
    "                {'showBackground': False,\n",
    "                 'fontSize': 14,\n",
    "                 'fontColor': '0x000000',\n",
    "                 'useScreen': True,\n",
    "                 'screenOffset': {'x': 15, 'y': -20}})\n",
    "        return self\n",
    "\n",
    "    def add_interaction(self,\n",
    "                        interaction_file: str,\n",
    "                        show_interaction: bool = True,\n",
    "                        select_interaction: list = []\n",
    "                        ) -> object:\n",
    "        if show_interaction:\n",
    "            int_dict = interaction_dict(interaction_file, select_interaction, 'lbsp')\n",
    "            dist = int_dict['DIST'].values()\n",
    "            bond = int_dict['BOND'].values()\n",
    "            resn = int_dict['RESNR'].values()\n",
    "            ligcoo = int_dict['LIGCOO'].values()\n",
    "            prtcoo = int_dict['PROTCOO'].values()\n",
    "            color = int_dict['COLOR'].values()\n",
    "\n",
    "            int_res = list(set(resn) - set(self.residues))\n",
    "            self.residues.extend(int_res)\n",
    "            self.mview.addStyle(\n",
    "                {'and': [{'model': 0}, {'resi': int_res}]},\n",
    "                self.residue_style)\n",
    "            self.mview.addResLabels(\n",
    "                {'and': [{'model': 0}, {'resi': int_res}]},\n",
    "                self.residue_label)\n",
    "\n",
    "            for dis, col, lig, prt in zip(dist, color, ligcoo, prtcoo):\n",
    "                mid = find_midpoint([lig, prt])\n",
    "                self.mview.addCylinder(\n",
    "                    {'start': {'x': lig[0], 'y': lig[1], 'z': lig[2]},\n",
    "                     'end': {'x': prt[0], 'y': prt[1], 'z': prt[2]},\n",
    "                     'radius': 0.05,\n",
    "                     'fromCap': 1,\n",
    "                     'toCap': 1,\n",
    "                     'color': col,\n",
    "                     'dashed': True})\n",
    "                self.mview.addLabel(\n",
    "                    str(dis) + ' Å',\n",
    "                    {'position': {'x': mid[0], 'y': mid[1], 'z': mid[2]},\n",
    "                     'alignment': 'bottomLeft',\n",
    "                     'inFront': False,\n",
    "                     'backgroundColor': col,\n",
    "                     'fontSize': 10,\n",
    "                     'screenOffset': {'x': 10, 'y': 10}})\n",
    "        return self\n",
    "\n",
    "    def label_atoms(self, show_label: bool = False) -> object:\n",
    "        # WARNING: Avoid applying on protein !!!\n",
    "        if show_label:\n",
    "            self.mview.addPropertyLabels(\n",
    "                'atom',\n",
    "                {'model': self.count},\n",
    "                self.atom_label)\n",
    "        return self\n",
    "\n",
    "    def view_space(self,\n",
    "                   zoom_model: int = -1,\n",
    "                   slab_view: bool = False,\n",
    "                   slab_model: int = -1,\n",
    "                   background_colour: str = '0xFFFFFF'\n",
    "                   ) -> None:\n",
    "        self.mview.setBackgroundColor(background_colour)\n",
    "        self.mview.setProjection('orthographic')\n",
    "        self.mview.zoomTo({'model': zoom_model})\n",
    "        self.mview.fitSlab({'model': slab_model}) if slab_view else None\n",
    "        self.mview.show()\n",
    "\n",
    "print(f'+ Methods and functions successfully built')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "F4tmLSywoHH2",
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "---\n",
    "---\n",
    "# **02 | Preparing the Receptor**\n",
    "\n",
    "In this step, we lay the groundwork for molecular docking study by preparing the protein of interest. We will obtain the protein's crystal structure in **`pdb`** format from the [RCSB Protein Data Bank (PDB)](https://www.rcsb.org). Then, we clean the structure by extraction method and seperate its existing subunits into individual files. Finally, we parameterise our target strucutre to generate the **`pdbqt`** file required for docking."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Prepare the"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "WIxoT1jKpD0u",
    "outputId": "11fe9a56-8664-4879-c773-a56cdd302e4e",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ PDB downloaded: 3HTB.pdb > PROTEIN folder\n",
      "+ RCSB PDB link: https://www.rcsb.org/structure/3HTB\n"
     ]
    }
   ],
   "source": [
    "# @title **Download protein PDB file**\n",
    "# @markdown Enter the **< Accession ID >** to download the protein of interest.\n",
    "\n",
    "#Accession_ID = '3HTB' # @param {type: 'string'}\n",
    "Accession_ID = PDB_ID\n",
    "PDB_pdb = Accession_ID.upper() + '.pdb'\n",
    "PDB_pdb_pFile = os.path.join(PRT_FLD, PDB_pdb)\n",
    "Accession_ID_url = 'http://files.rcsb.org/download/' + PDB_pdb\n",
    "\n",
    "!wget {Accession_ID_url} -O {PDB_pdb_pFile} -q\n",
    "print(f'+ PDB downloaded: {PDB_pdb} > PROTEIN folder')\n",
    "print(f'+ RCSB PDB link: https://www.rcsb.org/structure/{Accession_ID}')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "0qVIuNFpeKFp",
    "outputId": "26e54898-22bd-45ce-8423-5e4121191190",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ Entity extracted: 3HTB_prot.pdb > PROTEIN folder\n",
      "+ Chains detected: 1 (A)\n",
      "+ Chain extracted: 3HTB_prot_A.pdb > PROTEIN folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Clean protein structure and extract subunits**\n",
    "# @markdown This generates a **clean** protein structure containing all the subunit(s). \\\n",
    "# @markdown The subunits are then extracted into individual **`pdb`** files. \\\n",
    "# @markdown *Note: `Subunits` and `Chains` are interchangeable to describe the\n",
    "# @markdown multiple polypeptides that made up the protein.*\n",
    "\n",
    "def oupt_parse(inpt_file: str) -> tuple:\n",
    "    name = os.path.basename(inpt_file).split('.')[0]\n",
    "    path = os.path.dirname(inpt_file)\n",
    "    dirn = os.path.basename(path)\n",
    "    return name, dirn, path\n",
    "\n",
    "def ter_line(asn: str, resn: str, chid: str, resi: str) -> str:\n",
    "    return f'TER   {asn}      {resn} {chid}{resi:>4} {\" \"*54}\\n'\n",
    "\n",
    "def extract_entity(inpt_file: str, oupt_file: str, keywords: list) -> None:\n",
    "    oupt_name, oupt_dirn, oupt_path = oupt_parse(oupt_file)\n",
    "    extract = []\n",
    "    headers = ['ATOM', 'HETATM']\n",
    "    with open(inpt_file, 'r') as inpt:\n",
    "        for line in inpt:\n",
    "            record = line.split()[0]\n",
    "            if all(keyword in line for keyword in keywords) and \\\n",
    "               any(header in record for header in headers):\n",
    "                extract.append(line)\n",
    "\n",
    "    assert extract, 'Expected \\'keywords\\' in PDB lines; found 0 lines'\n",
    "\n",
    "    with open(oupt_file, 'w') as oupt:\n",
    "        for line in extract:\n",
    "            oupt.write(line)\n",
    "    print(f'+ Entity extracted: {oupt_name}.pdb > {oupt_dirn} folder')\n",
    "\n",
    "def extract_chains(inpt_file: str) -> None:\n",
    "    inpt_name, oupt_dirn, oupt_path = oupt_parse(inpt_file)\n",
    "    with open(inpt_file, 'r') as inpt:\n",
    "        data = inpt.readlines()\n",
    "\n",
    "    chid = sorted(set(line[21:22] for line in data))\n",
    "    chid_leng = len(chid)\n",
    "    chid_list = ', '.join(chid)\n",
    "    print(f'+ Chains detected: {chid_leng} ({chid_list})')\n",
    "\n",
    "    for id in chid:\n",
    "        oupt_name = inpt_name + '_' + id\n",
    "        oupt_file = os.path.join(oupt_path, oupt_name + '.pdb')\n",
    "        with open(oupt_file, 'w') as oupt:\n",
    "            for line in data:\n",
    "                if line[21:22] in id:\n",
    "                    oupt.write(line)\n",
    "                    asn = f'{int(line[6:11])+1:>5}'\n",
    "                    resn = line[17:20]\n",
    "                    resi = line[22:26]\n",
    "            oupt.write(ter_line(asn, resn, id, resi))\n",
    "            oupt.write('END')\n",
    "        print(f'+ Chain extracted: {oupt_name}.pdb > {oupt_dirn} folder')\n",
    "\n",
    "PDB_prot = Accession_ID + '_prot'\n",
    "PDB_prot_pdb = PDB_prot + '.pdb'\n",
    "PDB_prot_pdb_pFile = os.path.join(PRT_FLD, PDB_prot_pdb)\n",
    "\n",
    "extract_entity(PDB_pdb_pFile, PDB_prot_pdb_pFile, ['ATOM'])\n",
    "extract_chains(PDB_prot_pdb_pFile)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/",
     "height": 771
    },
    "id": "GIHOfCmahoK7",
    "outputId": "d9ca5e7c-08e3-4969-e682-1010bf1a0e25",
    "tags": []
   },
   "outputs": [
    {
     "data": {
      "application/3dmoljs_load.v0": "<div id=\"3dmolviewer_17198354657402534\"  style=\"position: relative; width: 960px; height: 640px;\">\n        <p id=\"3dmolwarning_17198354657402534\" style=\"background-color:#ffcccc;color:black\">You appear to be running in JupyterLab (or JavaScript failed to load for some other reason).  You need to install the 3dmol extension: <br>\n        <tt>jupyter labextension install jupyterlab_3dmol</tt></p>\n        </div>\n<script>\n\nvar loadScriptAsync = function(uri){\n  return new Promise((resolve, reject) => {\n    //this is to ignore the existence of requirejs amd\n    var savedexports, savedmodule;\n    if (typeof exports !== 'undefined') savedexports = exports;\n    else exports = {}\n    if (typeof module !== 'undefined') savedmodule = module;\n    else module = {}\n\n    var tag = document.createElement('script');\n    tag.src = uri;\n    tag.async = true;\n    tag.onload = () => {\n        exports = savedexports;\n        module = savedmodule;\n        resolve();\n    };\n  var firstScriptTag = document.getElementsByTagName('script')[0];\n  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n});\n};\n\nif(typeof $3Dmolpromise === 'undefined') {\n$3Dmolpromise = null;\n  $3Dmolpromise = loadScriptAsync('https://cdnjs.cloudflare.com/ajax/libs/3Dmol/2.0.4/3Dmol-min.js');\n}\n\nvar viewer_17198354657402534 = null;\nvar warn = document.getElementById(\"3dmolwarning_17198354657402534\");\nif(warn) {\n    warn.parentNode.removeChild(warn);\n}\n$3Dmolpromise.then(function() {\nviewer_17198354657402534 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17198354657402534\"),{backgroundColor:\"white\"});\nviewer_17198354657402534.zoomTo();\n\tviewer_17198354657402534.addModel(\"ATOM      1  N   MET A   1       5.561 -15.963  -8.933  1.00 16.19           N  \\nATOM      2  CA AMET A   1       7.044 -15.926  -8.982  0.50 15.51           C  \\nATOM      3  CA BMET A   1       7.052 -15.985  -8.910  0.50 15.98           C  \\nATOM      4  C   MET A   1       7.565 -17.233  -9.569  1.00 15.36           C  \\nATOM      5  O   MET A   1       6.935 -18.292  -9.473  1.00 14.94           O  \\nATOM      6  CB AMET A   1       7.633 -15.614  -7.579  0.50 15.40           C  \\nATOM      7  CB BMET A   1       7.591 -15.959  -7.473  0.50 16.50           C  \\nATOM      8  CG AMET A   1       9.121 -15.214  -7.502  0.50 15.40           C  \\nATOM      9  CG BMET A   1       7.587 -14.631  -6.772  0.50 17.53           C  \\nATOM     10  SD AMET A   1       9.709 -13.669  -8.227  0.50 14.04           S  \\nATOM     11  SD BMET A   1       8.595 -13.375  -7.571  0.50 24.67           S  \\nATOM     12  CE AMET A   1       8.304 -12.536  -8.057  0.50 10.74           C  \\nATOM     13  CE BMET A   1      10.121 -14.299  -7.810  0.50 22.50           C  \\nATOM     14  N   ASN A   2       8.696 -17.109 -10.221  1.00 13.04           N  \\nATOM     15  CA  ASN A   2       9.444 -18.214 -10.830  1.00 11.28           C  \\nATOM     16  C   ASN A   2      10.923 -17.749 -10.851  1.00 11.13           C  \\nATOM     17  O   ASN A   2      11.262 -16.586 -10.453  1.00  8.10           O  \\nATOM     18  CB  ASN A   2       8.903 -18.572 -12.242  1.00 11.33           C  \\nATOM     19  CG  ASN A   2       8.979 -17.384 -13.226  1.00 13.64           C  \\nATOM     20  OD1 ASN A   2      10.036 -16.854 -13.455  1.00  9.75           O  \\nATOM     21  ND2 ASN A   2       7.826 -16.975 -13.804  1.00 12.13           N  \\nATOM     22  N   ILE A   3      11.803 -18.653 -11.255  1.00  9.44           N  \\nATOM     23  CA  ILE A   3      13.215 -18.370 -11.247  1.00  9.32           C  \\nATOM     24  C   ILE A   3      13.649 -17.195 -12.132  1.00  7.70           C  \\nATOM     25  O   ILE A   3      14.597 -16.489 -11.782  1.00  9.80           O  \\nATOM     26  CB  ILE A   3      14.010 -19.669 -11.653  1.00  9.07           C  \\nATOM     27  CG1 ILE A   3      15.522 -19.542 -11.375  1.00  8.89           C  \\nATOM     28  CG2 ILE A   3      13.701 -20.044 -13.127  1.00  9.00           C  \\nATOM     29  CD1 ILE A   3      16.021 -18.938 -10.040  1.00 10.83           C  \\nATOM     30  N   PHE A   4      12.976 -16.982 -13.265  1.00  8.60           N  \\nATOM     31  CA  PHE A   4      13.313 -15.827 -14.061  1.00  8.69           C  \\nATOM     32  C   PHE A   4      12.939 -14.559 -13.370  1.00  9.89           C  \\nATOM     33  O   PHE A   4      13.695 -13.598 -13.393  1.00  9.06           O  \\nATOM     34  CB  PHE A   4      12.680 -15.895 -15.481  1.00  8.95           C  \\nATOM     35  CG  PHE A   4      13.207 -17.104 -16.277  1.00 11.87           C  \\nATOM     36  CD1 PHE A   4      12.684 -18.381 -16.087  1.00 12.45           C  \\nATOM     37  CD2 PHE A   4      14.252 -16.959 -17.165  1.00 10.91           C  \\nATOM     38  CE1 PHE A   4      13.203 -19.507 -16.757  1.00 10.97           C  \\nATOM     39  CE2 PHE A   4      14.737 -18.073 -17.875  1.00 13.68           C  \\nATOM     40  CZ  PHE A   4      14.194 -19.334 -17.662  1.00 13.03           C  \\nATOM     41  N   GLU A   5      11.735 -14.528 -12.804  1.00  9.90           N  \\nATOM     42  CA  GLU A   5      11.306 -13.288 -12.184  1.00 10.93           C  \\nATOM     43  C   GLU A   5      12.211 -12.996 -10.954  1.00  9.58           C  \\nATOM     44  O   GLU A   5      12.515 -11.866 -10.632  1.00  9.92           O  \\nATOM     45  CB  GLU A   5       9.901 -13.444 -11.758  1.00  9.58           C  \\nATOM     46  CG  GLU A   5       8.948 -13.592 -12.964  1.00 15.91           C  \\nATOM     47  CD  GLU A   5       7.492 -13.611 -12.523  1.00 20.54           C  \\nATOM     48  OE1 GLU A   5       7.233 -13.319 -11.345  1.00 25.87           O  \\nATOM     49  OE2 GLU A   5       6.590 -13.885 -13.346  1.00 24.46           O  \\nATOM     50  N   MET A   6      12.558 -14.075 -10.256  1.00 10.80           N  \\nATOM     51  CA  MET A   6      13.414 -13.998  -9.100  1.00 11.41           C  \\nATOM     52  C   MET A   6      14.747 -13.416  -9.466  1.00  9.30           C  \\nATOM     53  O   MET A   6      15.191 -12.450  -8.826  1.00 12.93           O  \\nATOM     54  CB  MET A   6      13.592 -15.388  -8.488  1.00 10.41           C  \\nATOM     55  CG  MET A   6      14.245 -15.365  -7.093  1.00 12.68           C  \\nATOM     56  SD  MET A   6      14.896 -16.987  -6.864  1.00 11.50           S  \\nATOM     57  CE  MET A   6      15.143 -17.019  -5.053  1.00 14.29           C  \\nATOM     58  N   LEU A   7      15.419 -14.013 -10.450  1.00  9.60           N  \\nATOM     59  CA  LEU A   7      16.760 -13.572 -10.840  1.00  9.70           C  \\nATOM     60  C   LEU A   7      16.725 -12.198 -11.446  1.00 10.08           C  \\nATOM     61  O   LEU A   7      17.663 -11.405 -11.248  1.00 10.17           O  \\nATOM     62  CB  LEU A   7      17.456 -14.566 -11.767  1.00  9.47           C  \\nATOM     63  CG  LEU A   7      18.050 -15.641 -10.882  1.00  9.83           C  \\nATOM     64  CD1 LEU A   7      18.407 -16.854 -11.660  1.00 11.30           C  \\nATOM     65  CD2 LEU A   7      19.263 -15.036 -10.178  1.00  7.37           C  \\nATOM     66  N   ARG A   8      15.623 -11.872 -12.125  1.00 10.56           N  \\nATOM     67  CA  ARG A   8      15.486 -10.533 -12.730  1.00 10.46           C  \\nATOM     68  C   ARG A   8      15.430  -9.437 -11.619  1.00 11.05           C  \\nATOM     69  O   ARG A   8      15.999  -8.357 -11.787  1.00 11.99           O  \\nATOM     70  CB  ARG A   8      14.207 -10.427 -13.573  1.00  9.24           C  \\nATOM     71  CG  ARG A   8      13.842  -8.998 -13.962  1.00  8.95           C  \\nATOM     72  CD  ARG A   8      14.682  -8.440 -15.117  1.00 10.45           C  \\nATOM     73  NE  ARG A   8      14.315  -7.024 -15.407  1.00 17.11           N  \\nATOM     74  CZ  ARG A   8      14.510  -5.992 -14.572  1.00 17.32           C  \\nATOM     75  NH1 ARG A   8      15.075  -6.150 -13.368  1.00 19.70           N  \\nATOM     76  NH2 ARG A   8      14.103  -4.781 -14.898  1.00 21.76           N  \\nATOM     77  N   ILE A   9      14.727  -9.723 -10.513  1.00 10.05           N  \\nATOM     78  CA  ILE A   9      14.736  -8.832  -9.354  1.00 11.98           C  \\nATOM     79  C   ILE A   9      16.184  -8.699  -8.794  1.00 10.19           C  \\nATOM     80  O   ILE A   9      16.685  -7.599  -8.621  1.00 11.01           O  \\nATOM     81  CB  ILE A   9      13.745  -9.307  -8.310  1.00 11.81           C  \\nATOM     82  CG1 ILE A   9      12.295  -8.991  -8.792  1.00 11.16           C  \\nATOM     83  CG2 ILE A   9      14.127  -8.715  -6.901  1.00 13.13           C  \\nATOM     84  CD1 ILE A   9      11.180  -9.833  -8.105  1.00 11.02           C  \\nATOM     85  N   ASP A  10      16.875  -9.822  -8.643  1.00  9.37           N  \\nATOM     86  CA  ASP A  10      18.185  -9.878  -7.994  1.00 10.57           C  \\nATOM     87  C   ASP A  10      19.311  -9.308  -8.857  1.00 10.86           C  \\nATOM     88  O   ASP A  10      20.255  -8.693  -8.331  1.00 10.88           O  \\nATOM     89  CB  ASP A  10      18.506 -11.300  -7.545  1.00  8.71           C  \\nATOM     90  CG  ASP A  10      17.731 -11.697  -6.281  1.00 10.36           C  \\nATOM     91  OD1 ASP A  10      17.176 -10.813  -5.602  1.00 12.18           O  \\nATOM     92  OD2 ASP A  10      17.610 -12.911  -5.989  1.00 15.40           O  \\nATOM     93  N   GLU A  11      19.154  -9.412 -10.175  1.00 10.35           N  \\nATOM     94  CA  GLU A  11      20.297  -9.178 -11.071  1.00  9.98           C  \\nATOM     95  C   GLU A  11      20.085  -7.849 -11.752  1.00 11.17           C  \\nATOM     96  O   GLU A  11      21.027  -7.244 -12.149  1.00 10.89           O  \\nATOM     97  CB  GLU A  11      20.423 -10.284 -12.090  1.00 11.45           C  \\nATOM     98  CG  GLU A  11      20.983 -11.570 -11.540  1.00  8.72           C  \\nATOM     99  CD  GLU A  11      22.331 -11.403 -10.856  1.00 14.34           C  \\nATOM    100  OE1 GLU A  11      22.997 -10.296 -10.924  1.00 19.80           O  \\nATOM    101  OE2 GLU A  11      22.765 -12.362 -10.191  1.00 13.76           O  \\nATOM    102  N   GLY A  12      18.835  -7.395 -11.858  1.00  9.73           N  \\nATOM    103  CA  GLY A  12      18.503  -6.196 -12.686  1.00 10.14           C  \\nATOM    104  C   GLY A  12      18.558  -6.457 -14.191  1.00  9.64           C  \\nATOM    105  O   GLY A  12      18.692  -7.612 -14.632  1.00  8.39           O  \\nATOM    106  N   LEU A  13      18.315  -5.384 -14.951  1.00 10.95           N  \\nATOM    107  CA  LEU A  13      18.476  -5.410 -16.395  1.00 10.93           C  \\nATOM    108  C   LEU A  13      19.230  -4.158 -16.821  1.00 12.47           C  \\nATOM    109  O   LEU A  13      18.764  -3.037 -16.638  1.00 10.09           O  \\nATOM    110  CB  LEU A  13      17.121  -5.551 -17.094  1.00 10.84           C  \\nATOM    111  CG  LEU A  13      17.051  -5.400 -18.622  1.00 13.98           C  \\nATOM    112  CD1 LEU A  13      17.887  -6.504 -19.296  1.00 14.85           C  \\nATOM    113  CD2 LEU A  13      15.573  -5.621 -18.963  1.00 20.16           C  \\nATOM    114  N   ARG A  14      20.427  -4.347 -17.366  1.00 13.51           N  \\nATOM    115  CA  ARG A  14      21.161  -3.231 -17.947  1.00 12.55           C  \\nATOM    116  C   ARG A  14      21.624  -3.631 -19.343  1.00 13.91           C  \\nATOM    117  O   ARG A  14      22.092  -4.770 -19.558  1.00 13.51           O  \\nATOM    118  CB  ARG A  14      22.348  -2.865 -17.057  1.00 13.69           C  \\nATOM    119  CG  ARG A  14      21.881  -2.627 -15.541  1.00 10.77           C  \\nATOM    120  CD  ARG A  14      22.950  -2.031 -14.624  1.00 14.02           C  \\nATOM    121  NE  ARG A  14      23.267  -0.711 -15.097  1.00 18.61           N  \\nATOM    122  CZ  ARG A  14      24.231   0.041 -14.576  1.00 23.42           C  \\nATOM    123  NH1 ARG A  14      24.992  -0.441 -13.583  1.00 21.81           N  \\nATOM    124  NH2 ARG A  14      24.456   1.241 -15.079  1.00 24.97           N  \\nATOM    125  N   LEU A  15      21.488  -2.704 -20.276  1.00 14.21           N  \\nATOM    126  CA  LEU A  15      21.708  -3.028 -21.647  1.00 13.95           C  \\nATOM    127  C   LEU A  15      23.062  -2.639 -22.085  1.00 15.21           C  \\nATOM    128  O   LEU A  15      23.426  -3.007 -23.183  1.00 16.83           O  \\nATOM    129  CB  LEU A  15      20.647  -2.401 -22.523  1.00 14.29           C  \\nATOM    130  CG  LEU A  15      19.175  -2.813 -22.276  1.00 14.19           C  \\nATOM    131  CD1 LEU A  15      18.319  -2.230 -23.411  1.00 16.89           C  \\nATOM    132  CD2 LEU A  15      18.984  -4.289 -22.191  1.00 16.65           C  \\nATOM    133  N   LYS A  16      23.837  -1.955 -21.239  1.00 13.81           N  \\nATOM    134  CA  LYS A  16      25.207  -1.511 -21.600  1.00 14.34           C  \\nATOM    135  C   LYS A  16      26.123  -2.220 -20.641  1.00 13.58           C  \\nATOM    136  O   LYS A  16      25.731  -2.428 -19.477  1.00 15.63           O  \\nATOM    137  CB  LYS A  16      25.445  -0.003 -21.420  1.00 13.23           C  \\nATOM    138  CG  LYS A  16      24.695   0.873 -22.429  1.00 15.23           C  \\nATOM    139  CD  LYS A  16      24.562   2.348 -21.919  1.00 18.50           C  \\nATOM    140  CE  LYS A  16      24.042   3.253 -23.023  0.50 18.65           C  \\nATOM    141  NZ  LYS A  16      23.452   4.494 -22.483  0.50 21.53           N  \\nATOM    142  N   ILE A  17      27.336  -2.553 -21.085  1.00 14.54           N  \\nATOM    143  CA  ILE A  17      28.286  -3.207 -20.207  1.00 12.07           C  \\nATOM    144  C   ILE A  17      28.445  -2.430 -18.902  1.00 12.48           C  \\nATOM    145  O   ILE A  17      28.560  -1.225 -18.904  1.00 11.54           O  \\nATOM    146  CB  ILE A  17      29.634  -3.435 -20.873  1.00 12.95           C  \\nATOM    147  CG1 ILE A  17      29.493  -4.310 -22.144  1.00  8.75           C  \\nATOM    148  CG2 ILE A  17      30.696  -3.989 -19.862  1.00 12.45           C  \\nATOM    149  CD1 ILE A  17      30.848  -4.603 -22.812  1.00 12.23           C  \\nATOM    150  N   TYR A  18      28.373  -3.145 -17.790  1.00 14.39           N  \\nATOM    151  CA  TYR A  18      28.495  -2.515 -16.435  1.00 14.47           C  \\nATOM    152  C   TYR A  18      29.363  -3.471 -15.607  1.00 11.71           C  \\nATOM    153  O   TYR A  18      29.567  -4.613 -16.003  1.00 11.89           O  \\nATOM    154  CB  TYR A  18      27.118  -2.287 -15.749  1.00 13.83           C  \\nATOM    155  CG  TYR A  18      26.357  -3.552 -15.398  1.00 16.86           C  \\nATOM    156  CD1 TYR A  18      26.399  -4.107 -14.085  1.00 18.55           C  \\nATOM    157  CD2 TYR A  18      25.550  -4.229 -16.381  1.00 17.94           C  \\nATOM    158  CE1 TYR A  18      25.696  -5.338 -13.766  1.00 17.18           C  \\nATOM    159  CE2 TYR A  18      24.833  -5.419 -16.053  1.00 14.72           C  \\nATOM    160  CZ  TYR A  18      24.891  -5.954 -14.728  1.00 19.33           C  \\nATOM    161  OH  TYR A  18      24.153  -7.143 -14.446  1.00 17.43           O  \\nATOM    162  N   LYS A  19      29.830  -2.990 -14.466  1.00 10.51           N  \\nATOM    163  CA  LYS A  19      30.548  -3.762 -13.546  1.00 11.63           C  \\nATOM    164  C   LYS A  19      29.558  -4.240 -12.469  1.00 10.87           C  \\nATOM    165  O   LYS A  19      28.710  -3.454 -11.952  1.00 10.79           O  \\nATOM    166  CB  LYS A  19      31.682  -2.988 -12.948  1.00 10.53           C  \\nATOM    167  CG  LYS A  19      32.726  -2.643 -13.946  1.00 12.17           C  \\nATOM    168  CD  LYS A  19      33.877  -2.083 -13.250  1.00 13.68           C  \\nATOM    169  CE  LYS A  19      34.967  -1.539 -14.227  1.00 14.68           C  \\nATOM    170  NZ  LYS A  19      35.970  -0.819 -13.352  1.00 14.18           N  \\nATOM    171  N   ASP A  20      29.600  -5.541 -12.238  1.00 10.28           N  \\nATOM    172  CA  ASP A  20      28.755  -6.178 -11.230  1.00 10.35           C  \\nATOM    173  C   ASP A  20      29.298  -5.856  -9.825  1.00 11.13           C  \\nATOM    174  O   ASP A  20      30.226  -5.065  -9.684  1.00 13.25           O  \\nATOM    175  CB  ASP A  20      28.668  -7.714 -11.433  1.00  9.98           C  \\nATOM    176  CG  ASP A  20      29.988  -8.465 -11.129  1.00 12.88           C  \\nATOM    177  OD1 ASP A  20      30.984  -7.917 -10.654  1.00 12.47           O  \\nATOM    178  OD2 ASP A  20      30.049  -9.702 -11.403  1.00 17.43           O  \\nATOM    179  N   THR A  21      28.720  -6.477  -8.805  1.00 11.25           N  \\nATOM    180  CA ATHR A  21      29.009  -6.152  -7.390  0.50 11.50           C  \\nATOM    181  CA BTHR A  21      29.034  -6.058  -7.448  0.50 12.55           C  \\nATOM    182  C   THR A  21      30.477  -6.421  -7.079  1.00 13.05           C  \\nATOM    183  O   THR A  21      31.021  -5.897  -6.128  1.00 13.00           O  \\nATOM    184  CB ATHR A  21      28.137  -6.999  -6.443  0.50 11.96           C  \\nATOM    185  CB BTHR A  21      28.006  -6.598  -6.483  0.50 13.53           C  \\nATOM    186  OG1ATHR A  21      28.532  -8.367  -6.545  0.50  9.71           O  \\nATOM    187  OG1BTHR A  21      28.188  -5.969  -5.222  0.50 15.74           O  \\nATOM    188  CG2ATHR A  21      26.613  -6.864  -6.788  0.50  9.51           C  \\nATOM    189  CG2BTHR A  21      28.126  -8.101  -6.356  0.50 11.11           C  \\nATOM    190  N   GLU A  22      31.092  -7.317  -7.862  1.00 13.35           N  \\nATOM    191  CA  GLU A  22      32.490  -7.662  -7.724  1.00 12.75           C  \\nATOM    192  C   GLU A  22      33.430  -6.817  -8.601  1.00 12.79           C  \\nATOM    193  O   GLU A  22      34.654  -7.008  -8.550  1.00 14.56           O  \\nATOM    194  CB  GLU A  22      32.706  -9.174  -7.929  1.00 14.64           C  \\nATOM    195  CG  GLU A  22      32.057 -10.100  -6.954  1.00 15.63           C  \\nATOM    196  CD  GLU A  22      32.687  -9.982  -5.568  1.00 24.42           C  \\nATOM    197  OE1 GLU A  22      33.939  -9.752  -5.413  1.00 27.57           O  \\nATOM    198  OE2 GLU A  22      31.927 -10.082  -4.603  1.00 25.73           O  \\nATOM    199  N   GLY A  23      32.899  -5.860  -9.369  1.00 12.54           N  \\nATOM    200  CA  GLY A  23      33.714  -5.054 -10.291  1.00 12.77           C  \\nATOM    201  C   GLY A  23      33.925  -5.726 -11.631  1.00 13.27           C  \\nATOM    202  O   GLY A  23      34.746  -5.261 -12.389  1.00 12.49           O  \\nATOM    203  N   TYR A  24      33.188  -6.818 -11.934  1.00 12.52           N  \\nATOM    204  CA ATYR A  24      33.399  -7.500 -13.218  0.50 12.99           C  \\nATOM    205  CA BTYR A  24      33.342  -7.583 -13.178  0.50 13.06           C  \\nATOM    206  C   TYR A  24      32.400  -7.159 -14.255  1.00 12.20           C  \\nATOM    207  O   TYR A  24      31.233  -7.035 -13.968  1.00 12.55           O  \\nATOM    208  CB ATYR A  24      33.556  -9.021 -13.089  0.50 13.61           C  \\nATOM    209  CB BTYR A  24      33.041  -9.063 -12.949  0.50 13.86           C  \\nATOM    210  CG ATYR A  24      34.623  -9.343 -12.121  0.50 13.38           C  \\nATOM    211  CG BTYR A  24      33.927  -9.785 -11.988  0.50 13.37           C  \\nATOM    212  CD1ATYR A  24      35.916  -8.819 -12.279  0.50 11.36           C  \\nATOM    213  CD1BTYR A  24      35.285  -9.532 -11.952  0.50 17.24           C  \\nATOM    214  CD2ATYR A  24      34.349 -10.120 -11.004  0.50 14.00           C  \\nATOM    215  CD2BTYR A  24      33.402 -10.744 -11.107  0.50 15.02           C  \\nATOM    216  CE1ATYR A  24      36.918  -9.086 -11.342  0.50 12.77           C  \\nATOM    217  CE1BTYR A  24      36.106 -10.204 -11.059  0.50 16.72           C  \\nATOM    218  CE2ATYR A  24      35.317 -10.382 -10.083  0.50 15.94           C  \\nATOM    219  CE2BTYR A  24      34.209 -11.418 -10.221  0.50 15.43           C  \\nATOM    220  CZ ATYR A  24      36.598  -9.865 -10.238  0.50 14.47           C  \\nATOM    221  CZ BTYR A  24      35.565 -11.151 -10.195  0.50 16.64           C  \\nATOM    222  OH ATYR A  24      37.533 -10.179  -9.280  0.50 17.75           O  \\nATOM    223  OH BTYR A  24      36.411 -11.818  -9.312  0.50 13.96           O  \\nATOM    224  N   TYR A  25      32.932  -7.026 -15.486  1.00 12.09           N  \\nATOM    225  CA  TYR A  25      32.179  -6.584 -16.638  1.00 12.61           C  \\nATOM    226  C   TYR A  25      31.081  -7.581 -16.948  1.00 11.80           C  \\nATOM    227  O   TYR A  25      31.336  -8.785 -17.028  1.00 11.78           O  \\nATOM    228  CB  TYR A  25      33.048  -6.452 -17.840  1.00 11.99           C  \\nATOM    229  CG  TYR A  25      33.968  -5.305 -17.737  1.00 13.52           C  \\nATOM    230  CD1 TYR A  25      35.325  -5.518 -17.812  1.00 15.00           C  \\nATOM    231  CD2 TYR A  25      33.488  -4.013 -17.535  1.00 12.92           C  \\nATOM    232  CE1 TYR A  25      36.223  -4.433 -17.731  1.00 15.76           C  \\nATOM    233  CE2 TYR A  25      34.355  -2.917 -17.467  1.00 14.50           C  \\nATOM    234  CZ  TYR A  25      35.739  -3.147 -17.578  1.00 16.48           C  \\nATOM    235  OH  TYR A  25      36.629  -2.116 -17.499  1.00 18.00           O  \\nATOM    236  N   THR A  26      29.880  -7.035 -17.078  1.00 11.69           N  \\nATOM    237  CA  THR A  26      28.634  -7.821 -17.042  1.00 12.00           C  \\nATOM    238  C   THR A  26      27.677  -7.090 -17.975  1.00 11.69           C  \\nATOM    239  O   THR A  26      27.861  -5.934 -18.220  1.00 12.63           O  \\nATOM    240  CB  THR A  26      28.104  -7.933 -15.551  1.00 12.28           C  \\nATOM    241  OG1 THR A  26      29.112  -8.590 -14.733  1.00 13.67           O  \\nATOM    242  CG2 THR A  26      26.740  -8.671 -15.460  1.00 13.96           C  \\nATOM    243  N   ILE A  27      26.673  -7.754 -18.529  1.00 10.49           N  \\nATOM    244  CA  ILE A  27      25.623  -7.061 -19.275  1.00 11.85           C  \\nATOM    245  C   ILE A  27      24.289  -7.760 -19.021  1.00 10.90           C  \\nATOM    246  O   ILE A  27      24.262  -8.839 -18.484  1.00 13.57           O  \\nATOM    247  CB  ILE A  27      25.970  -6.982 -20.827  1.00  8.77           C  \\nATOM    248  CG1 ILE A  27      25.126  -5.864 -21.494  1.00  9.65           C  \\nATOM    249  CG2 ILE A  27      25.863  -8.366 -21.435  1.00 12.03           C  \\nATOM    250  CD1 ILE A  27      25.660  -5.372 -22.839  1.00 11.30           C  \\nATOM    251  N   GLY A  28      23.198  -7.134 -19.399  1.00 11.08           N  \\nATOM    252  CA  GLY A  28      21.893  -7.789 -19.451  1.00 11.75           C  \\nATOM    253  C   GLY A  28      21.405  -8.092 -18.068  1.00 11.50           C  \\nATOM    254  O   GLY A  28      21.389  -7.193 -17.197  1.00 11.34           O  \\nATOM    255  N   ILE A  29      21.008  -9.359 -17.869  1.00 11.68           N  \\nATOM    256  CA  ILE A  29      20.474  -9.822 -16.566  1.00 10.38           C  \\nATOM    257  C   ILE A  29      21.581 -10.615 -15.842  1.00 10.59           C  \\nATOM    258  O   ILE A  29      21.520 -11.830 -15.751  1.00 11.75           O  \\nATOM    259  CB  ILE A  29      19.130 -10.547 -16.693  1.00 11.65           C  \\nATOM    260  CG1 ILE A  29      18.055  -9.646 -17.356  1.00  8.43           C  \\nATOM    261  CG2 ILE A  29      18.591 -10.990 -15.328  1.00 10.08           C  \\nATOM    262  CD1 ILE A  29      16.933 -10.395 -18.113  1.00 12.83           C  \\nATOM    263  N   GLY A  30      22.601  -9.907 -15.332  1.00 10.90           N  \\nATOM    264  CA  GLY A  30      23.716 -10.556 -14.663  1.00 10.32           C  \\nATOM    265  C   GLY A  30      24.459 -11.550 -15.525  1.00 11.48           C  \\nATOM    266  O   GLY A  30      24.903 -12.643 -15.066  1.00 12.69           O  \\nATOM    267  N   HIS A  31      24.650 -11.172 -16.779  1.00  8.99           N  \\nATOM    268  CA  HIS A  31      25.436 -12.044 -17.632  1.00 10.80           C  \\nATOM    269  C   HIS A  31      26.876 -11.567 -17.520  1.00  8.81           C  \\nATOM    270  O   HIS A  31      27.255 -10.542 -18.111  1.00 10.50           O  \\nATOM    271  CB  HIS A  31      24.990 -11.990 -19.097  1.00  9.28           C  \\nATOM    272  CG  HIS A  31      25.845 -12.837 -19.965  1.00  9.54           C  \\nATOM    273  ND1 HIS A  31      25.671 -14.193 -20.067  1.00 14.49           N  \\nATOM    274  CD2 HIS A  31      26.987 -12.555 -20.634  1.00 13.34           C  \\nATOM    275  CE1 HIS A  31      26.628 -14.703 -20.827  1.00 14.65           C  \\nATOM    276  NE2 HIS A  31      27.438 -13.727 -21.177  1.00 13.40           N  \\nATOM    277  N   LEU A  32      27.674 -12.359 -16.827  1.00 10.44           N  \\nATOM    278  CA  LEU A  32      29.069 -12.061 -16.591  1.00 12.64           C  \\nATOM    279  C   LEU A  32      29.796 -12.233 -17.912  1.00 12.40           C  \\nATOM    280  O   LEU A  32      29.675 -13.272 -18.584  1.00 12.89           O  \\nATOM    281  CB  LEU A  32      29.615 -13.058 -15.554  1.00 13.09           C  \\nATOM    282  CG  LEU A  32      31.118 -12.943 -15.243  1.00 14.71           C  \\nATOM    283  CD1 LEU A  32      31.455 -11.547 -14.710  1.00 11.58           C  \\nATOM    284  CD2 LEU A  32      31.592 -14.089 -14.245  1.00 14.66           C  \\nATOM    285  N   LEU A  33      30.519 -11.216 -18.322  1.00 12.36           N  \\nATOM    286  CA  LEU A  33      31.266 -11.293 -19.602  1.00 13.55           C  \\nATOM    287  C   LEU A  33      32.696 -11.751 -19.366  1.00 15.00           C  \\nATOM    288  O   LEU A  33      33.203 -12.621 -20.102  1.00 15.58           O  \\nATOM    289  CB  LEU A  33      31.321  -9.920 -20.203  1.00 13.92           C  \\nATOM    290  CG  LEU A  33      29.961  -9.530 -20.748  1.00  9.98           C  \\nATOM    291  CD1 LEU A  33      29.967  -8.038 -21.078  1.00 11.52           C  \\nATOM    292  CD2 LEU A  33      29.599 -10.356 -22.046  1.00  6.96           C  \\nATOM    293  N   THR A  34      33.339 -11.200 -18.333  1.00 15.13           N  \\nATOM    294  CA  THR A  34      34.686 -11.561 -18.021  1.00 16.46           C  \\nATOM    295  C   THR A  34      35.082 -11.015 -16.666  1.00 17.47           C  \\nATOM    296  O   THR A  34      34.547  -9.979 -16.232  1.00 17.59           O  \\nATOM    297  CB  THR A  34      35.721 -10.977 -19.080  1.00 18.65           C  \\nATOM    298  OG1 THR A  34      37.052 -11.341 -18.700  1.00 19.78           O  \\nATOM    299  CG2 THR A  34      35.689  -9.465 -19.114  1.00 12.88           C  \\nATOM    300  N   LYS A  35      36.068 -11.674 -16.039  1.00 18.87           N  \\nATOM    301  CA  LYS A  35      36.806 -11.089 -14.902  1.00 21.97           C  \\nATOM    302  C   LYS A  35      37.974 -10.166 -15.236  1.00 23.16           C  \\nATOM    303  O   LYS A  35      38.512  -9.480 -14.335  1.00 23.53           O  \\nATOM    304  CB  LYS A  35      37.258 -12.169 -13.930  1.00 22.07           C  \\nATOM    305  CG  LYS A  35      36.033 -12.908 -13.404  1.00 22.54           C  \\nATOM    306  CD  LYS A  35      36.355 -13.859 -12.265  1.00 20.80           C  \\nATOM    307  CE  LYS A  35      35.035 -14.572 -11.907  1.00 28.15           C  \\nATOM    308  NZ  LYS A  35      35.218 -15.611 -10.823  1.00 29.37           N  \\nATOM    309  N   SER A  36      38.357 -10.125 -16.505  1.00 23.27           N  \\nATOM    310  CA  SER A  36      39.391  -9.206 -16.956  1.00 22.49           C  \\nATOM    311  C   SER A  36      39.054  -7.756 -16.718  1.00 22.79           C  \\nATOM    312  O   SER A  36      37.917  -7.313 -16.954  1.00 20.74           O  \\nATOM    313  CB  SER A  36      39.643  -9.383 -18.454  1.00 23.05           C  \\nATOM    314  OG  SER A  36      40.470  -8.323 -18.929  1.00 21.13           O  \\nATOM    315  N   PRO A  37      40.044  -6.993 -16.251  1.00 23.64           N  \\nATOM    316  CA  PRO A  37      39.856  -5.563 -16.100  1.00 23.78           C  \\nATOM    317  C   PRO A  37      39.896  -4.829 -17.439  1.00 24.01           C  \\nATOM    318  O   PRO A  37      39.743  -3.621 -17.474  1.00 23.95           O  \\nATOM    319  CB  PRO A  37      41.054  -5.135 -15.238  1.00 24.98           C  \\nATOM    320  CG  PRO A  37      42.145  -6.158 -15.541  1.00 24.78           C  \\nATOM    321  CD  PRO A  37      41.366  -7.465 -15.809  1.00 24.30           C  \\nATOM    322  N   ASP A  38      40.068  -5.565 -18.522  1.00 23.55           N  \\nATOM    323  CA  ASP A  38      40.176  -4.981 -19.861  1.00 23.61           C  \\nATOM    324  C   ASP A  38      38.763  -4.867 -20.435  1.00 22.10           C  \\nATOM    325  O   ASP A  38      38.113  -5.896 -20.726  1.00 23.06           O  \\nATOM    326  CB  ASP A  38      40.984  -5.939 -20.711  1.00 23.90           C  \\nATOM    327  CG  ASP A  38      41.359  -5.383 -22.079  1.00 29.00           C  \\nATOM    328  OD1 ASP A  38      40.917  -4.290 -22.515  1.00 31.63           O  \\nATOM    329  OD2 ASP A  38      42.140  -6.103 -22.744  0.50 31.87           O  \\nATOM    330  N   LEU A  39      38.291  -3.640 -20.593  1.00 20.06           N  \\nATOM    331  CA  LEU A  39      37.000  -3.399 -21.170  1.00 17.93           C  \\nATOM    332  C   LEU A  39      36.922  -4.016 -22.574  1.00 17.00           C  \\nATOM    333  O   LEU A  39      35.903  -4.585 -22.967  1.00 14.52           O  \\nATOM    334  CB  LEU A  39      36.636  -1.933 -21.144  1.00 19.75           C  \\nATOM    335  CG  LEU A  39      35.242  -1.577 -21.762  1.00 19.08           C  \\nATOM    336  CD1 LEU A  39      33.981  -2.226 -21.083  1.00 15.17           C  \\nATOM    337  CD2 LEU A  39      35.178  -0.079 -21.883  1.00 17.63           C  \\nATOM    338  N   ASN A  40      38.013  -3.974 -23.313  1.00 15.29           N  \\nATOM    339  CA  ASN A  40      37.986  -4.574 -24.624  1.00 16.57           C  \\nATOM    340  C   ASN A  40      37.790  -6.091 -24.605  1.00 15.17           C  \\nATOM    341  O   ASN A  40      37.255  -6.653 -25.553  1.00 15.96           O  \\nATOM    342  CB  ASN A  40      39.272  -4.248 -25.372  1.00 19.04           C  \\nATOM    343  CG  ASN A  40      39.309  -2.805 -25.835  1.00 24.09           C  \\nATOM    344  OD1 ASN A  40      38.287  -2.209 -26.268  1.00 27.52           O  \\nATOM    345  ND2 ASN A  40      40.500  -2.211 -25.714  1.00 29.99           N  \\nATOM    346  N   ALA A  41      38.321  -6.754 -23.585  1.00 15.24           N  \\nATOM    347  CA  ALA A  41      38.222  -8.195 -23.467  1.00 15.24           C  \\nATOM    348  C   ALA A  41      36.757  -8.490 -23.200  1.00 15.28           C  \\nATOM    349  O   ALA A  41      36.235  -9.509 -23.713  1.00 16.99           O  \\nATOM    350  CB  ALA A  41      39.085  -8.733 -22.392  1.00 13.34           C  \\nATOM    351  N   ALA A  42      36.085  -7.617 -22.421  1.00 15.41           N  \\nATOM    352  CA  ALA A  42      34.615  -7.764 -22.207  1.00 13.34           C  \\nATOM    353  C   ALA A  42      33.800  -7.533 -23.458  1.00 14.85           C  \\nATOM    354  O   ALA A  42      32.802  -8.239 -23.737  1.00 15.53           O  \\nATOM    355  CB  ALA A  42      34.111  -6.888 -21.007  1.00 14.75           C  \\nATOM    356  N   LYS A  43      34.207  -6.541 -24.235  1.00 14.45           N  \\nATOM    357  CA  LYS A  43      33.554  -6.246 -25.485  1.00 13.01           C  \\nATOM    358  C   LYS A  43      33.731  -7.366 -26.446  1.00 11.58           C  \\nATOM    359  O   LYS A  43      32.795  -7.672 -27.135  1.00 13.80           O  \\nATOM    360  CB  LYS A  43      34.002  -4.925 -26.119  1.00 13.83           C  \\nATOM    361  CG  LYS A  43      33.566  -3.712 -25.306  1.00 18.49           C  \\nATOM    362  CD  LYS A  43      34.132  -2.436 -25.871  1.00 21.84           C  \\nATOM    363  CE  LYS A  43      33.394  -1.273 -25.232  1.00 26.35           C  \\nATOM    364  NZ  LYS A  43      33.578  -0.015 -25.966  1.00 30.22           N  \\nATOM    365  N   SER A  44      34.896  -8.006 -26.487  1.00 11.60           N  \\nATOM    366  CA  SER A  44      35.087  -9.174 -27.387  1.00 12.83           C  \\nATOM    367  C   SER A  44      34.145 -10.342 -26.941  1.00 13.44           C  \\nATOM    368  O   SER A  44      33.436 -10.996 -27.768  1.00 13.24           O  \\nATOM    369  CB  SER A  44      36.594  -9.526 -27.412  1.00 14.76           C  \\nATOM    370  OG  SER A  44      36.850 -10.723 -28.102  1.00 18.81           O  \\nATOM    371  N   GLU A  45      34.089 -10.602 -25.629  1.00 13.03           N  \\nATOM    372  CA  GLU A  45      33.200 -11.666 -25.058  1.00 12.59           C  \\nATOM    373  C   GLU A  45      31.750 -11.385 -25.361  1.00 12.07           C  \\nATOM    374  O   GLU A  45      31.017 -12.296 -25.676  1.00 13.76           O  \\nATOM    375  CB  GLU A  45      33.334 -11.748 -23.555  1.00 10.62           C  \\nATOM    376  CG  GLU A  45      34.647 -12.347 -23.128  1.00 12.96           C  \\nATOM    377  CD  GLU A  45      34.855 -13.718 -23.805  1.00 15.13           C  \\nATOM    378  OE1 GLU A  45      34.075 -14.665 -23.575  1.00 13.31           O  \\nATOM    379  OE2 GLU A  45      35.826 -13.847 -24.550  1.00 17.67           O  \\nATOM    380  N   LEU A  46      31.316 -10.121 -25.250  1.00 11.28           N  \\nATOM    381  CA  LEU A  46      29.963  -9.716 -25.595  1.00 10.57           C  \\nATOM    382  C   LEU A  46      29.645 -10.066 -27.044  1.00 11.44           C  \\nATOM    383  O   LEU A  46      28.620 -10.666 -27.334  1.00 12.45           O  \\nATOM    384  CB  LEU A  46      29.680  -8.195 -25.388  1.00  7.82           C  \\nATOM    385  CG  LEU A  46      28.261  -7.700 -25.710  1.00  8.57           C  \\nATOM    386  CD1 LEU A  46      27.223  -8.416 -24.846  1.00 11.19           C  \\nATOM    387  CD2 LEU A  46      28.126  -6.246 -25.455  1.00 10.01           C  \\nATOM    388  N   ASP A  47      30.509  -9.645 -27.950  1.00 12.06           N  \\nATOM    389  CA  ASP A  47      30.287  -9.869 -29.345  1.00 11.19           C  \\nATOM    390  C   ASP A  47      30.254 -11.369 -29.653  1.00 11.07           C  \\nATOM    391  O   ASP A  47      29.487 -11.789 -30.501  1.00 10.42           O  \\nATOM    392  CB  ASP A  47      31.423  -9.217 -30.093  1.00 10.99           C  \\nATOM    393  CG  ASP A  47      31.363  -7.695 -30.024  1.00 12.43           C  \\nATOM    394  OD1 ASP A  47      30.355  -7.081 -29.552  1.00 10.46           O  \\nATOM    395  OD2 ASP A  47      32.309  -7.121 -30.573  1.00 18.98           O  \\nATOM    396  N   LYS A  48      31.150 -12.145 -29.021  1.00 10.81           N  \\nATOM    397  CA  LYS A  48      31.160 -13.618 -29.170  1.00 10.31           C  \\nATOM    398  C   LYS A  48      29.782 -14.205 -28.710  1.00  9.51           C  \\nATOM    399  O   LYS A  48      29.201 -15.075 -29.374  1.00 10.98           O  \\nATOM    400  CB  LYS A  48      32.335 -14.214 -28.396  1.00  8.87           C  \\nATOM    401  CG  LYS A  48      32.462 -15.715 -28.570  1.00  9.35           C  \\nATOM    402  CD  LYS A  48      33.818 -16.315 -28.181  1.00  8.34           C  \\nATOM    403  CE  LYS A  48      34.396 -15.833 -26.876  1.00  9.68           C  \\nATOM    404  NZ  LYS A  48      33.695 -16.293 -25.719  1.00 11.58           N  \\nATOM    405  N   ALA A  49      29.245 -13.662 -27.615  1.00 10.87           N  \\nATOM    406  CA  ALA A  49      28.052 -14.170 -26.929  1.00 12.51           C  \\nATOM    407  C   ALA A  49      26.820 -13.908 -27.790  1.00 12.83           C  \\nATOM    408  O   ALA A  49      25.892 -14.760 -27.952  1.00 11.18           O  \\nATOM    409  CB  ALA A  49      27.927 -13.423 -25.553  1.00 13.07           C  \\nATOM    410  N   ILE A  50      26.842 -12.746 -28.406  1.00 12.15           N  \\nATOM    411  CA  ILE A  50      25.673 -12.274 -29.151  1.00 12.61           C  \\nATOM    412  C   ILE A  50      25.735 -12.652 -30.633  1.00 11.87           C  \\nATOM    413  O   ILE A  50      24.695 -12.767 -31.255  1.00 12.43           O  \\nATOM    414  CB  ILE A  50      25.472 -10.730 -29.010  1.00 10.16           C  \\nATOM    415  CG1 ILE A  50      25.282 -10.393 -27.508  1.00 14.77           C  \\nATOM    416  CG2 ILE A  50      24.281 -10.260 -29.866  1.00 11.98           C  \\nATOM    417  CD1 ILE A  50      24.049 -10.949 -26.859  1.00 14.13           C  \\nATOM    418  N   GLY A  51      26.937 -12.913 -31.144  1.00 13.85           N  \\nATOM    419  CA  GLY A  51      27.113 -13.231 -32.576  1.00 14.53           C  \\nATOM    420  C   GLY A  51      27.105 -11.986 -33.492  1.00 17.21           C  \\nATOM    421  O   GLY A  51      26.856 -12.081 -34.685  1.00 17.73           O  \\nATOM    422  N   ARG A  52      27.351 -10.806 -32.950  1.00 16.02           N  \\nATOM    423  CA  ARG A  52      27.364  -9.594 -33.759  1.00 16.50           C  \\nATOM    424  C   ARG A  52      28.271  -8.634 -33.015  1.00 14.92           C  \\nATOM    425  O   ARG A  52      28.613  -8.905 -31.871  1.00 15.80           O  \\nATOM    426  CB  ARG A  52      25.933  -9.028 -34.021  1.00 15.77           C  \\nATOM    427  CG  ARG A  52      25.246  -8.424 -32.779  1.00 17.56           C  \\nATOM    428  CD  ARG A  52      23.915  -7.712 -33.120  1.00 20.09           C  \\nATOM    429  NE  ARG A  52      23.293  -7.136 -31.928  1.00 20.79           N  \\nATOM    430  CZ  ARG A  52      23.658  -6.002 -31.341  1.00 21.18           C  \\nATOM    431  NH1 ARG A  52      24.597  -5.250 -31.904  1.00 25.60           N  \\nATOM    432  NH2 ARG A  52      23.006  -5.576 -30.243  1.00 23.53           N  \\nATOM    433  N   ASN A  53      28.662  -7.545 -33.683  1.00 14.53           N  \\nATOM    434  CA  ASN A  53      29.520  -6.494 -33.171  1.00 15.36           C  \\nATOM    435  C   ASN A  53      28.632  -5.561 -32.350  1.00 15.47           C  \\nATOM    436  O   ASN A  53      27.881  -4.804 -32.906  1.00 13.54           O  \\nATOM    437  CB  ASN A  53      30.083  -5.698 -34.363  1.00 15.64           C  \\nATOM    438  CG  ASN A  53      31.367  -6.294 -34.930  0.50 16.35           C  \\nATOM    439  OD1 ASN A  53      32.043  -7.087 -34.292  0.50 17.84           O  \\nATOM    440  ND2 ASN A  53      31.703  -5.901 -36.141  0.50 14.99           N  \\nATOM    441  N   CYS A  54      28.636  -5.674 -31.027  1.00 15.19           N  \\nATOM    442  CA  CYS A  54      27.590  -4.959 -30.253  1.00 15.66           C  \\nATOM    443  C   CYS A  54      28.035  -3.621 -29.806  1.00 15.84           C  \\nATOM    444  O   CYS A  54      27.199  -2.775 -29.399  1.00 18.75           O  \\nATOM    445  CB  CYS A  54      27.165  -5.741 -29.019  1.00 14.40           C  \\nATOM    446  SG  CYS A  54      26.498  -7.306 -29.460  1.00 17.76           S  \\nATOM    447  N   ASN A  55      29.345  -3.411 -29.844  1.00 16.88           N  \\nATOM    448  CA  ASN A  55      29.936  -2.166 -29.332  1.00 17.33           C  \\nATOM    449  C   ASN A  55      29.426  -1.846 -27.898  1.00 17.29           C  \\nATOM    450  O   ASN A  55      29.010  -0.715 -27.600  1.00 18.40           O  \\nATOM    451  CB  ASN A  55      29.776  -1.019 -30.373  0.50 17.07           C  \\nATOM    452  CG  ASN A  55      30.752  -1.170 -31.559  0.50 16.33           C  \\nATOM    453  OD1 ASN A  55      30.405  -1.679 -32.645  0.50 15.28           O  \\nATOM    454  ND2 ASN A  55      32.004  -0.737 -31.339  0.50 17.57           N  \\nATOM    455  N   GLY A  56      29.441  -2.884 -27.041  1.00 17.17           N  \\nATOM    456  CA  GLY A  56      29.107  -2.757 -25.606  1.00 15.09           C  \\nATOM    457  C   GLY A  56      27.651  -2.511 -25.272  1.00 13.62           C  \\nATOM    458  O   GLY A  56      27.334  -2.204 -24.136  1.00 13.57           O  \\nATOM    459  N   VAL A  57      26.748  -2.702 -26.236  1.00 13.31           N  \\nATOM    460  CA  VAL A  57      25.346  -2.490 -26.026  1.00 13.69           C  \\nATOM    461  C   VAL A  57      24.535  -3.599 -26.695  1.00 12.83           C  \\nATOM    462  O   VAL A  57      24.850  -4.088 -27.791  1.00 12.42           O  \\nATOM    463  CB  VAL A  57      24.859  -1.101 -26.538  1.00 15.47           C  \\nATOM    464  CG1 VAL A  57      23.410  -0.916 -26.178  1.00 13.56           C  \\nATOM    465  CG2 VAL A  57      25.705   0.016 -25.893  1.00 14.18           C  \\nATOM    466  N   ILE A  58      23.511  -4.022 -25.982  1.00 13.06           N  \\nATOM    467  CA  ILE A  58      22.602  -5.022 -26.493  1.00 12.11           C  \\nATOM    468  C   ILE A  58      21.164  -4.584 -26.292  1.00 12.45           C  \\nATOM    469  O   ILE A  58      20.885  -3.604 -25.568  1.00 13.66           O  \\nATOM    470  CB  ILE A  58      22.798  -6.421 -25.791  1.00 10.33           C  \\nATOM    471  CG1 ILE A  58      22.427  -6.352 -24.291  1.00 12.49           C  \\nATOM    472  CG2 ILE A  58      24.250  -7.024 -26.093  1.00 12.03           C  \\nATOM    473  CD1 ILE A  58      22.387  -7.785 -23.587  1.00  9.93           C  \\nATOM    474  N   THR A  59      20.253  -5.328 -26.935  1.00 12.65           N  \\nATOM    475  CA  THR A  59      18.812  -5.151 -26.769  1.00 13.78           C  \\nATOM    476  C   THR A  59      18.222  -5.960 -25.596  1.00 14.47           C  \\nATOM    477  O   THR A  59      18.852  -6.901 -25.069  1.00 12.93           O  \\nATOM    478  CB  THR A  59      18.073  -5.512 -28.073  1.00 15.34           C  \\nATOM    479  OG1 THR A  59      18.130  -6.940 -28.269  1.00 14.31           O  \\nATOM    480  CG2 THR A  59      18.685  -4.675 -29.284  1.00 14.99           C  \\nATOM    481  N   LYS A  60      16.981  -5.603 -25.230  1.00 15.15           N  \\nATOM    482  CA  LYS A  60      16.272  -6.347 -24.200  1.00 15.55           C  \\nATOM    483  C   LYS A  60      16.150  -7.794 -24.630  1.00 15.96           C  \\nATOM    484  O   LYS A  60      16.365  -8.714 -23.817  1.00 15.57           O  \\nATOM    485  CB  LYS A  60      14.914  -5.735 -23.901  1.00 15.63           C  \\nATOM    486  CG  LYS A  60      14.212  -6.387 -22.697  1.00 14.56           C  \\nATOM    487  CD  LYS A  60      13.071  -5.601 -22.181  1.00 16.36           C  \\nATOM    488  CE  LYS A  60      12.125  -6.493 -21.386  1.00 21.55           C  \\nATOM    489  NZ  LYS A  60      10.958  -5.776 -20.764  0.50 24.65           N  \\nATOM    490  N   ASP A  61      15.803  -8.011 -25.912  1.00 16.94           N  \\nATOM    491  CA  ASP A  61      15.634  -9.389 -26.387  1.00 15.82           C  \\nATOM    492  C   ASP A  61      16.949 -10.149 -26.254  1.00 13.72           C  \\nATOM    493  O   ASP A  61      16.957 -11.323 -25.851  1.00 12.79           O  \\nATOM    494  CB  ASP A  61      15.230  -9.414 -27.845  1.00 16.67           C  \\nATOM    495  CG  ASP A  61      13.789  -9.038 -28.059  1.00 22.04           C  \\nATOM    496  OD1 ASP A  61      13.035  -8.672 -27.114  1.00 24.22           O  \\nATOM    497  OD2 ASP A  61      13.389  -9.094 -29.238  1.00 29.10           O  \\nATOM    498  N   GLU A  62      18.050  -9.502 -26.637  1.00 12.95           N  \\nATOM    499  CA  GLU A  62      19.371 -10.153 -26.539  1.00 13.13           C  \\nATOM    500  C   GLU A  62      19.666 -10.403 -25.071  1.00 11.06           C  \\nATOM    501  O   GLU A  62      20.270 -11.425 -24.758  1.00 10.10           O  \\nATOM    502  CB  GLU A  62      20.457  -9.318 -27.156  1.00 13.17           C  \\nATOM    503  CG  GLU A  62      20.188  -9.063 -28.645  1.00 16.48           C  \\nATOM    504  CD  GLU A  62      21.138  -8.105 -29.365  1.00 16.24           C  \\nATOM    505  OE1 GLU A  62      21.583  -7.055 -28.815  1.00 15.48           O  \\nATOM    506  OE2 GLU A  62      21.446  -8.420 -30.546  1.00 15.92           O  \\nATOM    507  N   ALA A  63      19.276  -9.464 -24.174  1.00 10.00           N  \\nATOM    508  CA  ALA A  63      19.507  -9.712 -22.738  1.00  8.92           C  \\nATOM    509  C   ALA A  63      18.773 -10.963 -22.260  1.00 10.79           C  \\nATOM    510  O   ALA A  63      19.393 -11.814 -21.590  1.00 11.01           O  \\nATOM    511  CB  ALA A  63      19.137  -8.549 -21.890  1.00 11.14           C  \\nATOM    512  N   GLU A  64      17.476 -11.074 -22.613  1.00 10.55           N  \\nATOM    513  CA  GLU A  64      16.654 -12.183 -22.194  1.00  9.59           C  \\nATOM    514  C   GLU A  64      17.154 -13.459 -22.831  1.00 10.50           C  \\nATOM    515  O   GLU A  64      17.118 -14.491 -22.222  1.00 10.93           O  \\nATOM    516  CB  GLU A  64      15.227 -11.879 -22.514  1.00 11.46           C  \\nATOM    517  CG  GLU A  64      14.650 -10.758 -21.559  1.00 12.95           C  \\nATOM    518  CD  GLU A  64      13.361 -10.129 -22.108  1.00 19.94           C  \\nATOM    519  OE1 GLU A  64      13.046 -10.395 -23.301  1.00 21.72           O  \\nATOM    520  OE2 GLU A  64      12.700  -9.325 -21.383  1.00 21.66           O  \\nATOM    521  N   LYS A  65      17.681 -13.388 -24.050  1.00  9.94           N  \\nATOM    522  CA  LYS A  65      18.256 -14.589 -24.614  1.00 10.27           C  \\nATOM    523  C   LYS A  65      19.452 -15.142 -23.818  1.00 10.44           C  \\nATOM    524  O   LYS A  65      19.510 -16.322 -23.500  1.00  8.28           O  \\nATOM    525  CB  LYS A  65      18.621 -14.364 -26.077  1.00 10.94           C  \\nATOM    526  CG  LYS A  65      19.120 -15.640 -26.661  1.00  9.62           C  \\nATOM    527  CD  LYS A  65      19.273 -15.438 -28.137  1.00 18.05           C  \\nATOM    528  CE  LYS A  65      19.717 -16.760 -28.669  1.00 20.75           C  \\nATOM    529  NZ  LYS A  65      19.257 -16.995 -30.009  1.00 22.44           N  \\nATOM    530  N   LEU A  66      20.416 -14.292 -23.518  1.00 11.27           N  \\nATOM    531  CA  LEU A  66      21.577 -14.664 -22.689  1.00 10.98           C  \\nATOM    532  C   LEU A  66      21.059 -15.219 -21.339  1.00 10.20           C  \\nATOM    533  O   LEU A  66      21.603 -16.197 -20.770  1.00  8.48           O  \\nATOM    534  CB  LEU A  66      22.431 -13.396 -22.435  1.00 11.43           C  \\nATOM    535  CG  LEU A  66      23.246 -12.880 -23.691  1.00 10.72           C  \\nATOM    536  CD1 LEU A  66      23.979 -11.568 -23.276  1.00 15.89           C  \\nATOM    537  CD2 LEU A  66      24.275 -13.877 -24.098  1.00 17.06           C  \\nATOM    538  N   PHE A  67      20.045 -14.540 -20.815  1.00 10.45           N  \\nATOM    539  CA  PHE A  67      19.483 -14.876 -19.493  1.00 11.64           C  \\nATOM    540  C   PHE A  67      18.889 -16.290 -19.535  1.00 11.66           C  \\nATOM    541  O   PHE A  67      19.155 -17.127 -18.662  1.00 12.35           O  \\nATOM    542  CB  PHE A  67      18.431 -13.838 -19.108  1.00 10.74           C  \\nATOM    543  CG  PHE A  67      17.788 -14.043 -17.704  1.00 13.29           C  \\nATOM    544  CD1 PHE A  67      18.546 -14.451 -16.611  1.00 11.59           C  \\nATOM    545  CD2 PHE A  67      16.417 -13.717 -17.508  1.00 14.66           C  \\nATOM    546  CE1 PHE A  67      18.012 -14.551 -15.339  1.00 13.70           C  \\nATOM    547  CE2 PHE A  67      15.844 -13.829 -16.240  1.00  8.46           C  \\nATOM    548  CZ  PHE A  67      16.641 -14.258 -15.165  1.00 14.46           C  \\nATOM    549  N   ASN A  68      18.036 -16.548 -20.516  1.00 11.62           N  \\nATOM    550  CA AASN A  68      17.541 -17.893 -20.780  0.50 11.70           C  \\nATOM    551  CA BASN A  68      17.543 -17.904 -20.656  0.50 11.62           C  \\nATOM    552  C   ASN A  68      18.665 -18.909 -20.772  1.00 11.78           C  \\nATOM    553  O   ASN A  68      18.594 -19.936 -20.142  1.00 13.01           O  \\nATOM    554  CB AASN A  68      16.820 -17.901 -22.136  0.50 11.53           C  \\nATOM    555  CB BASN A  68      16.563 -18.019 -21.810  0.50 11.63           C  \\nATOM    556  CG AASN A  68      15.372 -17.443 -22.038  0.50 12.13           C  \\nATOM    557  CG BASN A  68      15.825 -19.342 -21.829  0.50 11.61           C  \\nATOM    558  OD1AASN A  68      14.742 -17.598 -20.989  0.50 13.94           O  \\nATOM    559  OD1BASN A  68      16.124 -20.285 -21.087  0.50 13.56           O  \\nATOM    560  ND2AASN A  68      14.830 -16.893 -23.139  0.50  8.69           N  \\nATOM    561  ND2BASN A  68      14.820 -19.409 -22.683  0.50 15.20           N  \\nATOM    562  N   GLN A  69      19.727 -18.630 -21.556  1.00 11.81           N  \\nATOM    563  CA  GLN A  69      20.846 -19.553 -21.615  1.00 11.54           C  \\nATOM    564  C   GLN A  69      21.544 -19.724 -20.245  1.00 12.95           C  \\nATOM    565  O   GLN A  69      21.915 -20.861 -19.870  1.00 12.00           O  \\nATOM    566  CB  GLN A  69      21.893 -19.068 -22.615  1.00 12.40           C  \\nATOM    567  CG  GLN A  69      21.358 -19.052 -23.987  1.00  9.65           C  \\nATOM    568  CD  GLN A  69      22.297 -18.543 -25.025  1.00 15.93           C  \\nATOM    569  OE1 GLN A  69      22.004 -18.771 -26.199  1.00 14.26           O  \\nATOM    570  NE2 GLN A  69      23.447 -17.857 -24.639  1.00  7.52           N  \\nATOM    571  N   ASP A  70      21.682 -18.609 -19.520  1.00 12.06           N  \\nATOM    572  CA  ASP A  70      22.362 -18.581 -18.205  1.00 13.01           C  \\nATOM    573  C   ASP A  70      21.603 -19.373 -17.141  1.00 13.30           C  \\nATOM    574  O   ASP A  70      22.218 -20.158 -16.423  1.00 13.91           O  \\nATOM    575  CB  ASP A  70      22.656 -17.133 -17.741  1.00 12.93           C  \\nATOM    576  CG  ASP A  70      23.751 -16.485 -18.601  1.00 12.85           C  \\nATOM    577  OD1 ASP A  70      24.358 -17.190 -19.432  1.00 10.38           O  \\nATOM    578  OD2 ASP A  70      23.960 -15.296 -18.478  1.00 15.54           O  \\nATOM    579  N   VAL A  71      20.282 -19.221 -17.121  1.00 13.81           N  \\nATOM    580  CA  VAL A  71      19.446 -19.962 -16.161  1.00 14.32           C  \\nATOM    581  C   VAL A  71      19.507 -21.448 -16.479  1.00 13.97           C  \\nATOM    582  O   VAL A  71      19.792 -22.277 -15.617  1.00 13.66           O  \\nATOM    583  CB  VAL A  71      18.053 -19.421 -16.128  1.00 14.69           C  \\nATOM    584  CG1 VAL A  71      17.122 -20.311 -15.207  1.00 17.08           C  \\nATOM    585  CG2 VAL A  71      18.085 -17.953 -15.713  1.00 13.00           C  \\nATOM    586  N   ASP A  72      19.282 -21.772 -17.752  1.00 13.09           N  \\nATOM    587  CA AASP A  72      19.329 -23.119 -18.221  0.50 12.65           C  \\nATOM    588  CA BASP A  72      19.320 -23.135 -18.192  0.25 12.18           C  \\nATOM    589  C   ASP A  72      20.672 -23.728 -17.839  1.00 13.46           C  \\nATOM    590  O   ASP A  72      20.747 -24.804 -17.204  1.00 13.48           O  \\nATOM    591  CB AASP A  72      19.131 -23.105 -19.725  0.50 12.21           C  \\nATOM    592  CB BASP A  72      19.066 -23.195 -19.680  0.50 10.51           C  \\nATOM    593  CG AASP A  72      18.850 -24.456 -20.279  0.50 15.38           C  \\nATOM    594  CG BASP A  72      18.935 -24.600 -20.185  0.25  9.93           C  \\nATOM    595  OD1AASP A  72      18.703 -25.384 -19.461  0.50 14.46           O  \\nATOM    596  OD1BASP A  72      17.767 -25.017 -20.398  0.25 10.93           O  \\nATOM    597  OD2AASP A  72      18.757 -24.584 -21.537  0.50 17.74           O  \\nATOM    598  OD2BASP A  72      19.987 -25.267 -20.383  0.25  2.00           O  \\nATOM    599  N   ALA A  73      21.753 -23.034 -18.193  1.00 14.64           N  \\nATOM    600  CA  ALA A  73      23.066 -23.541 -17.803  1.00 16.63           C  \\nATOM    601  C   ALA A  73      23.235 -23.723 -16.280  1.00 15.99           C  \\nATOM    602  O   ALA A  73      23.863 -24.709 -15.861  1.00 16.82           O  \\nATOM    603  CB  ALA A  73      24.160 -22.645 -18.298  1.00 18.31           C  \\nATOM    604  N   ALA A  74      22.722 -22.800 -15.474  1.00 15.03           N  \\nATOM    605  CA  ALA A  74      22.859 -22.917 -13.996  1.00 14.63           C  \\nATOM    606  C   ALA A  74      22.242 -24.300 -13.543  1.00 14.71           C  \\nATOM    607  O   ALA A  74      22.849 -25.018 -12.790  1.00 15.11           O  \\nATOM    608  CB  ALA A  74      22.249 -21.719 -13.277  1.00 12.58           C  \\nATOM    609  N   VAL A  75      21.082 -24.664 -14.104  1.00 14.47           N  \\nATOM    610  CA  VAL A  75      20.326 -25.869 -13.679  1.00 15.31           C  \\nATOM    611  C   VAL A  75      21.103 -27.088 -14.098  1.00 16.89           C  \\nATOM    612  O   VAL A  75      21.338 -28.031 -13.300  1.00 16.13           O  \\nATOM    613  CB  VAL A  75      18.931 -25.940 -14.349  1.00 15.57           C  \\nATOM    614  CG1 VAL A  75      18.206 -27.287 -13.927  1.00 12.54           C  \\nATOM    615  CG2 VAL A  75      18.149 -24.774 -13.967  1.00 13.69           C  \\nATOM    616  N   ARG A  76      21.502 -27.052 -15.375  1.00 17.86           N  \\nATOM    617  CA  ARG A  76      22.166 -28.157 -15.972  1.00 18.45           C  \\nATOM    618  C   ARG A  76      23.495 -28.366 -15.231  1.00 18.97           C  \\nATOM    619  O   ARG A  76      23.886 -29.522 -15.042  1.00 18.42           O  \\nATOM    620  CB  ARG A  76      22.347 -27.987 -17.489  1.00 18.37           C  \\nATOM    621  CG  ARG A  76      21.030 -28.084 -18.280  1.00 21.02           C  \\nATOM    622  CD  ARG A  76      20.234 -29.467 -18.062  1.00 23.30           C  \\nATOM    623  NE  ARG A  76      20.859 -30.673 -18.667  1.00 24.78           N  \\nATOM    624  CZ  ARG A  76      20.870 -30.966 -19.981  1.00 24.82           C  \\nATOM    625  NH1 ARG A  76      20.309 -30.137 -20.881  1.00 23.72           N  \\nATOM    626  NH2 ARG A  76      21.417 -32.123 -20.383  1.00 21.50           N  \\nATOM    627  N   GLY A  77      24.123 -27.266 -14.783  1.00 17.52           N  \\nATOM    628  CA  GLY A  77      25.342 -27.371 -13.980  1.00 18.05           C  \\nATOM    629  C   GLY A  77      25.118 -28.051 -12.621  1.00 18.04           C  \\nATOM    630  O   GLY A  77      25.866 -28.978 -12.226  1.00 18.57           O  \\nATOM    631  N   ILE A  78      24.052 -27.641 -11.954  1.00 14.98           N  \\nATOM    632  CA  ILE A  78      23.681 -28.257 -10.693  1.00 15.97           C  \\nATOM    633  C   ILE A  78      23.470 -29.793 -10.905  1.00 16.71           C  \\nATOM    634  O   ILE A  78      24.019 -30.638 -10.151  1.00 16.13           O  \\nATOM    635  CB  ILE A  78      22.387 -27.607 -10.169  1.00 15.31           C  \\nATOM    636  CG1 ILE A  78      22.703 -26.258  -9.543  1.00 13.49           C  \\nATOM    637  CG2 ILE A  78      21.706 -28.544  -9.127  1.00 13.94           C  \\nATOM    638  CD1 ILE A  78      21.429 -25.340  -9.385  1.00 12.53           C  \\nATOM    639  N   LEU A  79      22.708 -30.137 -11.956  1.00 17.70           N  \\nATOM    640  CA  LEU A  79      22.342 -31.549 -12.249  1.00 18.29           C  \\nATOM    641  C   LEU A  79      23.567 -32.381 -12.593  1.00 19.08           C  \\nATOM    642  O   LEU A  79      23.559 -33.554 -12.312  1.00 20.14           O  \\nATOM    643  CB  LEU A  79      21.271 -31.636 -13.343  1.00 16.98           C  \\nATOM    644  CG  LEU A  79      19.942 -30.927 -13.080  1.00 18.32           C  \\nATOM    645  CD1 LEU A  79      18.969 -31.311 -14.196  1.00 20.14           C  \\nATOM    646  CD2 LEU A  79      19.316 -31.280 -11.687  1.00 14.70           C  \\nATOM    647  N   ARG A  80      24.639 -31.761 -13.106  1.00 20.00           N  \\nATOM    648  CA AARG A  80      25.922 -32.396 -13.482  0.50 21.00           C  \\nATOM    649  CA BARG A  80      25.851 -32.517 -13.445  0.50 21.04           C  \\nATOM    650  C   ARG A  80      26.840 -32.580 -12.270  1.00 21.27           C  \\nATOM    651  O   ARG A  80      27.798 -33.332 -12.294  1.00 21.73           O  \\nATOM    652  CB AARG A  80      26.679 -31.500 -14.496  0.50 20.88           C  \\nATOM    653  CB BARG A  80      26.521 -31.955 -14.712  0.50 21.20           C  \\nATOM    654  CG AARG A  80      26.661 -31.978 -15.932  0.50 21.97           C  \\nATOM    655  CG BARG A  80      25.714 -32.242 -15.982  0.50 22.66           C  \\nATOM    656  CD AARG A  80      27.524 -31.088 -16.870  0.50 21.53           C  \\nATOM    657  CD BARG A  80      26.428 -31.725 -17.224  0.50 21.75           C  \\nATOM    658  NE AARG A  80      26.737 -30.102 -17.636  0.50 22.62           N  \\nATOM    659  NE BARG A  80      25.862 -30.471 -17.728  0.50 25.51           N  \\nATOM    660  CZ AARG A  80      26.769 -28.788 -17.456  0.50 17.84           C  \\nATOM    661  CZ BARG A  80      25.006 -30.421 -18.737  0.50 22.61           C  \\nATOM    662  NH1AARG A  80      27.557 -28.243 -16.540  0.50 20.02           N  \\nATOM    663  NH1BARG A  80      24.649 -31.545 -19.324  0.50 24.25           N  \\nATOM    664  NH2AARG A  80      26.024 -28.018 -18.226  0.50 20.52           N  \\nATOM    665  NH2BARG A  80      24.535 -29.263 -19.166  0.50 22.32           N  \\nATOM    666  N   ASN A  81      26.536 -31.869 -11.203  1.00 20.47           N  \\nATOM    667  CA  ASN A  81      27.380 -31.831 -10.030  1.00 18.36           C  \\nATOM    668  C   ASN A  81      26.972 -32.828  -8.945  1.00 16.30           C  \\nATOM    669  O   ASN A  81      25.905 -32.741  -8.334  1.00 16.06           O  \\nATOM    670  CB  ASN A  81      27.447 -30.405  -9.547  1.00 18.17           C  \\nATOM    671  CG  ASN A  81      28.455 -30.186  -8.428  1.00 18.04           C  \\nATOM    672  OD1 ASN A  81      28.467 -30.868  -7.416  1.00 18.71           O  \\nATOM    673  ND2 ASN A  81      29.217 -29.158  -8.563  1.00 16.25           N  \\nATOM    674  N   ALA A  82      27.848 -33.795  -8.728  1.00 16.51           N  \\nATOM    675  CA  ALA A  82      27.607 -34.849  -7.726  1.00 17.01           C  \\nATOM    676  C   ALA A  82      27.338 -34.313  -6.348  1.00 16.74           C  \\nATOM    677  O   ALA A  82      26.596 -34.947  -5.598  1.00 17.60           O  \\nATOM    678  CB  ALA A  82      28.775 -35.854  -7.667  1.00 16.45           C  \\nATOM    679  N   LYS A  83      28.010 -33.219  -5.938  1.00 17.87           N  \\nATOM    680  CA  LYS A  83      27.694 -32.636  -4.634  1.00 18.19           C  \\nATOM    681  C   LYS A  83      26.325 -31.918  -4.610  1.00 16.92           C  \\nATOM    682  O   LYS A  83      25.613 -31.921  -3.576  1.00 15.75           O  \\nATOM    683  CB  LYS A  83      28.770 -31.632  -4.191  1.00 21.02           C  \\nATOM    684  CG  LYS A  83      30.229 -32.140  -3.925  1.00 21.08           C  \\nATOM    685  CD  LYS A  83      30.272 -33.505  -3.162  1.00 25.06           C  \\nATOM    686  CE  LYS A  83      31.717 -34.072  -3.176  0.50 22.78           C  \\nATOM    687  NZ  LYS A  83      31.791 -35.494  -2.660  0.50 21.91           N  \\nATOM    688  N   LEU A  84      25.966 -31.254  -5.698  1.00 15.29           N  \\nATOM    689  CA  LEU A  84      24.751 -30.451  -5.706  1.00 13.58           C  \\nATOM    690  C   LEU A  84      23.466 -31.194  -6.041  1.00 12.55           C  \\nATOM    691  O   LEU A  84      22.428 -30.921  -5.469  1.00 11.18           O  \\nATOM    692  CB  LEU A  84      24.852 -29.184  -6.614  1.00 13.15           C  \\nATOM    693  CG  LEU A  84      26.065 -28.311  -6.204  1.00 15.68           C  \\nATOM    694  CD1 LEU A  84      26.191 -27.075  -7.087  1.00 16.32           C  \\nATOM    695  CD2 LEU A  84      25.995 -27.895  -4.722  1.00 14.11           C  \\nATOM    696  N   LYS A  85      23.515 -32.069  -7.022  1.00 13.06           N  \\nATOM    697  CA  LYS A  85      22.313 -32.704  -7.507  1.00 12.55           C  \\nATOM    698  C   LYS A  85      21.534 -33.396  -6.373  1.00 12.36           C  \\nATOM    699  O   LYS A  85      20.339 -33.227  -6.321  1.00 11.04           O  \\nATOM    700  CB  LYS A  85      22.673 -33.751  -8.539  1.00 12.48           C  \\nATOM    701  CG  LYS A  85      21.472 -34.332  -9.236  1.00 14.44           C  \\nATOM    702  CD  LYS A  85      21.993 -35.262 -10.277  1.00 15.12           C  \\nATOM    703  CE  LYS A  85      20.899 -35.812 -11.231  1.00 21.52           C  \\nATOM    704  NZ  LYS A  85      19.645 -36.159 -10.573  1.00 27.30           N  \\nATOM    705  N   PRO A  86      22.209 -34.190  -5.494  1.00 13.36           N  \\nATOM    706  CA  PRO A  86      21.280 -34.862  -4.535  1.00 15.21           C  \\nATOM    707  C   PRO A  86      20.522 -33.860  -3.645  1.00 13.25           C  \\nATOM    708  O   PRO A  86      19.345 -34.059  -3.320  1.00 16.43           O  \\nATOM    709  CB  PRO A  86      22.178 -35.800  -3.746  1.00 15.18           C  \\nATOM    710  CG  PRO A  86      23.555 -35.276  -3.923  1.00 17.57           C  \\nATOM    711  CD  PRO A  86      23.593 -34.585  -5.289  1.00 14.59           C  \\nATOM    712  N   VAL A  87      21.162 -32.734  -3.333  1.00 12.97           N  \\nATOM    713  CA  VAL A  87      20.538 -31.742  -2.481  1.00 11.84           C  \\nATOM    714  C   VAL A  87      19.384 -31.031  -3.215  1.00 10.58           C  \\nATOM    715  O   VAL A  87      18.285 -30.956  -2.712  1.00 11.03           O  \\nATOM    716  CB  VAL A  87      21.580 -30.741  -1.902  1.00 10.54           C  \\nATOM    717  CG1 VAL A  87      20.855 -29.791  -0.991  1.00  9.28           C  \\nATOM    718  CG2 VAL A  87      22.690 -31.532  -1.118  1.00  8.89           C  \\nATOM    719  N   TYR A  88      19.657 -30.592  -4.441  1.00 11.45           N  \\nATOM    720  CA  TYR A  88      18.735 -29.889  -5.249  1.00 11.18           C  \\nATOM    721  C   TYR A  88      17.515 -30.773  -5.493  1.00 10.20           C  \\nATOM    722  O   TYR A  88      16.374 -30.335  -5.311  1.00 11.44           O  \\nATOM    723  CB  TYR A  88      19.432 -29.606  -6.576  1.00 12.02           C  \\nATOM    724  CG  TYR A  88      18.583 -28.932  -7.610  1.00 13.71           C  \\nATOM    725  CD1 TYR A  88      18.417 -27.497  -7.637  1.00 14.57           C  \\nATOM    726  CD2 TYR A  88      17.953 -29.679  -8.563  1.00 18.15           C  \\nATOM    727  CE1 TYR A  88      17.638 -26.906  -8.601  1.00 14.02           C  \\nATOM    728  CE2 TYR A  88      17.170 -29.092  -9.528  1.00 16.88           C  \\nATOM    729  CZ  TYR A  88      17.019 -27.705  -9.560  1.00 18.17           C  \\nATOM    730  OH  TYR A  88      16.204 -27.127 -10.551  1.00 19.79           O  \\nATOM    731  N   ASP A  89      17.776 -32.049  -5.774  1.00 10.74           N  \\nATOM    732  CA  ASP A  89      16.674 -33.006  -6.065  1.00 12.94           C  \\nATOM    733  C   ASP A  89      15.829 -33.304  -4.823  1.00 12.44           C  \\nATOM    734  O   ASP A  89      14.621 -33.549  -4.925  1.00 13.04           O  \\nATOM    735  CB  ASP A  89      17.194 -34.257  -6.743  1.00 13.12           C  \\nATOM    736  CG  ASP A  89      17.303 -34.074  -8.236  1.00 13.91           C  \\nATOM    737  OD1 ASP A  89      16.892 -33.042  -8.766  1.00 15.52           O  \\nATOM    738  OD2 ASP A  89      17.756 -34.978  -8.898  1.00 21.38           O  \\nATOM    739  N   SER A  90      16.409 -33.106  -3.638  1.00 11.72           N  \\nATOM    740  CA  SER A  90      15.660 -33.220  -2.405  1.00 10.95           C  \\nATOM    741  C   SER A  90      14.740 -32.080  -2.107  1.00 10.69           C  \\nATOM    742  O   SER A  90      13.852 -32.248  -1.280  1.00 12.25           O  \\nATOM    743  CB  SER A  90      16.581 -33.479  -1.198  1.00 12.41           C  \\nATOM    744  OG  SER A  90      17.194 -32.313  -0.763  1.00 11.47           O  \\nATOM    745  N   LEU A  91      14.952 -30.915  -2.737  1.00  9.12           N  \\nATOM    746  CA  LEU A  91      14.219 -29.656  -2.481  1.00 10.06           C  \\nATOM    747  C   LEU A  91      12.899 -29.664  -3.226  1.00 11.73           C  \\nATOM    748  O   LEU A  91      12.775 -30.329  -4.247  1.00 12.75           O  \\nATOM    749  CB  LEU A  91      15.033 -28.380  -2.897  1.00  9.72           C  \\nATOM    750  CG  LEU A  91      16.397 -28.299  -2.172  1.00 10.30           C  \\nATOM    751  CD1 LEU A  91      17.225 -27.138  -2.620  1.00  9.12           C  \\nATOM    752  CD2 LEU A  91      16.127 -28.114  -0.655  1.00  7.71           C  \\nATOM    753  N   ASP A  92      11.901 -29.001  -2.645  1.00  9.35           N  \\nATOM    754  CA  ASP A  92      10.708 -28.583  -3.358  1.00 10.21           C  \\nATOM    755  C   ASP A  92      11.087 -27.496  -4.376  1.00 10.92           C  \\nATOM    756  O   ASP A  92      12.196 -26.961  -4.323  1.00  8.42           O  \\nATOM    757  CB  ASP A  92       9.779 -27.935  -2.344  1.00  9.21           C  \\nATOM    758  CG  ASP A  92      10.462 -26.795  -1.590  1.00 11.69           C  \\nATOM    759  OD1 ASP A  92      10.324 -25.664  -2.069  1.00 11.88           O  \\nATOM    760  OD2 ASP A  92      11.169 -27.048  -0.563  1.00  8.60           O  \\nATOM    761  N   ALA A  93      10.135 -27.105  -5.210  1.00 11.76           N  \\nATOM    762  CA  ALA A  93      10.459 -26.266  -6.361  1.00 11.76           C  \\nATOM    763  C   ALA A  93      10.819 -24.799  -5.973  1.00 12.10           C  \\nATOM    764  O   ALA A  93      11.607 -24.135  -6.660  1.00 13.45           O  \\nATOM    765  CB  ALA A  93       9.300 -26.308  -7.353  1.00 12.18           C  \\nATOM    766  N   VAL A  94      10.265 -24.324  -4.887  1.00 10.43           N  \\nATOM    767  CA  VAL A  94      10.563 -22.938  -4.494  1.00 10.59           C  \\nATOM    768  C   VAL A  94      12.014 -22.930  -3.997  1.00 11.05           C  \\nATOM    769  O   VAL A  94      12.808 -22.118  -4.468  1.00 10.69           O  \\nATOM    770  CB  VAL A  94       9.579 -22.389  -3.465  1.00 10.05           C  \\nATOM    771  CG1 VAL A  94       9.988 -20.922  -3.089  1.00 11.85           C  \\nATOM    772  CG2 VAL A  94       8.204 -22.392  -4.010  1.00 12.61           C  \\nATOM    773  N   ARG A  95      12.371 -23.875  -3.110  1.00  8.92           N  \\nATOM    774  CA  ARG A  95      13.760 -23.926  -2.600  1.00  9.62           C  \\nATOM    775  C   ARG A  95      14.742 -24.247  -3.756  1.00  9.72           C  \\nATOM    776  O   ARG A  95      15.857 -23.756  -3.748  1.00  8.79           O  \\nATOM    777  CB  ARG A  95      13.836 -24.966  -1.488  1.00 11.89           C  \\nATOM    778  CG  ARG A  95      13.277 -24.382  -0.244  1.00 10.80           C  \\nATOM    779  CD  ARG A  95      13.419 -25.320   0.867  1.00 11.93           C  \\nATOM    780  NE  ARG A  95      12.876 -24.781   2.106  1.00 11.55           N  \\nATOM    781  CZ  ARG A  95      11.655 -25.119   2.579  1.00 11.32           C  \\nATOM    782  NH1 ARG A  95      10.848 -25.885   1.879  1.00 12.81           N  \\nATOM    783  NH2 ARG A  95      11.211 -24.679   3.739  1.00 11.15           N  \\nATOM    784  N   ARG A  96      14.345 -25.065  -4.745  1.00  9.12           N  \\nATOM    785  CA AARG A  96      15.185 -25.273  -5.950  0.50  8.63           C  \\nATOM    786  CA BARG A  96      15.176 -25.279  -5.959  0.50  8.79           C  \\nATOM    787  C   ARG A  96      15.495 -23.932  -6.656  1.00  7.08           C  \\nATOM    788  O   ARG A  96      16.568 -23.755  -7.190  1.00  8.19           O  \\nATOM    789  CB AARG A  96      14.515 -26.228  -6.922  0.50  8.23           C  \\nATOM    790  CB BARG A  96      14.503 -26.246  -6.932  0.50  8.34           C  \\nATOM    791  CG AARG A  96      14.768 -27.705  -6.629  0.50  9.50           C  \\nATOM    792  CG BARG A  96      14.639 -27.724  -6.525  0.50 10.32           C  \\nATOM    793  CD AARG A  96      13.742 -28.551  -7.424  0.50 10.51           C  \\nATOM    794  CD BARG A  96      14.291 -28.742  -7.662  0.50  9.14           C  \\nATOM    795  NE AARG A  96      13.699 -29.939  -6.952  0.50  6.20           N  \\nATOM    796  NE BARG A  96      13.056 -28.510  -8.408  0.50  9.17           N  \\nATOM    797  CZ AARG A  96      13.153 -30.933  -7.645  0.50  6.83           C  \\nATOM    798  CZ BARG A  96      11.821 -28.918  -8.093  0.50 11.58           C  \\nATOM    799  NH1AARG A  96      12.587 -30.642  -8.813  0.50  8.36           N  \\nATOM    800  NH1BARG A  96      11.577 -29.569  -6.966  0.50 10.45           N  \\nATOM    801  NH2AARG A  96      13.157 -32.198  -7.165  0.50  5.25           N  \\nATOM    802  NH2BARG A  96      10.794 -28.646  -8.925  0.50 11.70           N  \\nATOM    803  N   CYS A  97      14.542 -22.988  -6.653  1.00  8.69           N  \\nATOM    804  CA  CYS A  97      14.791 -21.653  -7.256  1.00  8.03           C  \\nATOM    805  C   CYS A  97      15.864 -20.875  -6.507  1.00  8.90           C  \\nATOM    806  O   CYS A  97      16.715 -20.228  -7.101  1.00 10.59           O  \\nATOM    807  CB  CYS A  97      13.521 -20.831  -7.294  1.00  7.91           C  \\nATOM    808  SG  CYS A  97      12.333 -21.430  -8.509  1.00 12.20           S  \\nATOM    809  N   ALA A  98      15.833 -21.000  -5.191  1.00  9.06           N  \\nATOM    810  CA  ALA A  98      16.902 -20.479  -4.327  1.00  8.80           C  \\nATOM    811  C   ALA A  98      18.283 -21.031  -4.676  1.00  8.73           C  \\nATOM    812  O   ALA A  98      19.300 -20.264  -4.795  1.00 10.13           O  \\nATOM    813  CB  ALA A  98      16.518 -20.760  -2.798  1.00  5.17           C  \\nATOM    814  N   ALA A  99      18.337 -22.353  -4.875  1.00  8.14           N  \\nATOM    815  CA  ALA A  99      19.545 -22.977  -5.293  1.00  9.46           C  \\nATOM    816  C   ALA A  99      20.063 -22.509  -6.628  1.00  8.72           C  \\nATOM    817  O   ALA A  99      21.288 -22.348  -6.795  1.00  9.14           O  \\nATOM    818  CB  ALA A  99      19.425 -24.530  -5.246  1.00  7.90           C  \\nATOM    819  N   ILE A 100      19.163 -22.333  -7.599  1.00 10.00           N  \\nATOM    820  CA  ILE A 100      19.533 -21.873  -8.925  1.00 11.25           C  \\nATOM    821  C   ILE A 100      20.058 -20.454  -8.854  1.00 10.47           C  \\nATOM    822  O   ILE A 100      21.064 -20.119  -9.507  1.00 10.91           O  \\nATOM    823  CB  ILE A 100      18.330 -21.935  -9.943  1.00 11.12           C  \\nATOM    824  CG1 ILE A 100      17.993 -23.392 -10.240  1.00 11.84           C  \\nATOM    825  CG2 ILE A 100      18.754 -21.252 -11.335  1.00 12.33           C  \\nATOM    826  CD1 ILE A 100      16.597 -23.601 -10.710  1.00 10.89           C  \\nATOM    827  N   ASN A 101      19.396 -19.643  -8.053  1.00  9.60           N  \\nATOM    828  CA  ASN A 101      19.780 -18.251  -7.858  1.00  9.45           C  \\nATOM    829  C   ASN A 101      21.190 -18.228  -7.300  1.00  9.85           C  \\nATOM    830  O   ASN A 101      22.059 -17.570  -7.844  1.00  7.36           O  \\nATOM    831  CB  ASN A 101      18.757 -17.616  -6.863  1.00  9.79           C  \\nATOM    832  CG  ASN A 101      18.899 -16.124  -6.756  1.00 11.86           C  \\nATOM    833  OD1 ASN A 101      20.001 -15.604  -6.532  1.00  8.31           O  \\nATOM    834  ND2 ASN A 101      17.803 -15.423  -6.923  1.00  8.50           N  \\nATOM    835  N   GLN A 102      21.432 -18.962  -6.208  1.00 10.12           N  \\nATOM    836  CA AGLN A 102      22.773 -19.016  -5.648  0.50 10.25           C  \\nATOM    837  CA BGLN A 102      22.780 -19.057  -5.640  0.50 10.50           C  \\nATOM    838  C   GLN A 102      23.869 -19.402  -6.676  1.00 11.18           C  \\nATOM    839  O   GLN A 102      24.889 -18.719  -6.760  1.00 10.66           O  \\nATOM    840  CB AGLN A 102      22.835 -19.912  -4.426  0.50 10.09           C  \\nATOM    841  CB BGLN A 102      22.815 -20.067  -4.510  0.50 10.33           C  \\nATOM    842  CG AGLN A 102      23.964 -19.497  -3.556  0.50  7.11           C  \\nATOM    843  CG BGLN A 102      22.822 -19.432  -3.151  0.50  9.08           C  \\nATOM    844  CD AGLN A 102      24.309 -20.473  -2.472  0.50  6.99           C  \\nATOM    845  CD BGLN A 102      23.305 -20.387  -2.078  0.50  7.94           C  \\nATOM    846  OE1AGLN A 102      24.096 -21.672  -2.600  0.50 12.92           O  \\nATOM    847  OE1BGLN A 102      22.987 -21.565  -2.092  0.50 16.10           O  \\nATOM    848  NE2AGLN A 102      24.931 -19.974  -1.427  0.50  7.77           N  \\nATOM    849  NE2BGLN A 102      24.063 -19.892  -1.164  0.50 10.57           N  \\nATOM    850  N   VAL A 103      23.649 -20.480  -7.431  1.00 10.87           N  \\nATOM    851  CA  VAL A 103      24.582 -20.956  -8.454  1.00 12.09           C  \\nATOM    852  C   VAL A 103      24.760 -19.919  -9.574  1.00 13.15           C  \\nATOM    853  O   VAL A 103      25.904 -19.673  -9.954  1.00 15.38           O  \\nATOM    854  CB  VAL A 103      24.236 -22.345  -8.974  1.00 13.34           C  \\nATOM    855  CG1 VAL A 103      25.129 -22.758 -10.142  1.00 14.34           C  \\nATOM    856  CG2 VAL A 103      24.491 -23.354  -7.840  1.00 11.72           C  \\nATOM    857  N   PHE A 104      23.663 -19.274 -10.027  1.00 12.45           N  \\nATOM    858  CA  PHE A 104      23.679 -18.145 -10.975  1.00 10.68           C  \\nATOM    859  C   PHE A 104      24.623 -17.044 -10.501  1.00 12.64           C  \\nATOM    860  O   PHE A 104      25.468 -16.555 -11.272  1.00 11.51           O  \\nATOM    861  CB  PHE A 104      22.257 -17.576 -11.180  1.00 11.00           C  \\nATOM    862  CG  PHE A 104      22.122 -16.652 -12.320  1.00  8.36           C  \\nATOM    863  CD1 PHE A 104      21.583 -17.092 -13.538  1.00 11.61           C  \\nATOM    864  CD2 PHE A 104      22.466 -15.320 -12.194  1.00  8.67           C  \\nATOM    865  CE1 PHE A 104      21.421 -16.175 -14.612  1.00  9.36           C  \\nATOM    866  CE2 PHE A 104      22.340 -14.431 -13.254  1.00 13.27           C  \\nATOM    867  CZ  PHE A 104      21.822 -14.865 -14.465  1.00 13.38           C  \\nATOM    868  N   GLN A 105      24.502 -16.649  -9.236  1.00 12.72           N  \\nATOM    869  CA  GLN A 105      25.319 -15.563  -8.728  1.00 15.86           C  \\nATOM    870  C   GLN A 105      26.751 -16.004  -8.510  1.00 17.35           C  \\nATOM    871  O   GLN A 105      27.691 -15.248  -8.830  1.00 17.48           O  \\nATOM    872  CB  GLN A 105      24.745 -15.058  -7.405  1.00 15.76           C  \\nATOM    873  CG  GLN A 105      25.578 -13.964  -6.774  1.00 14.27           C  \\nATOM    874  CD  GLN A 105      24.990 -13.465  -5.475  1.00 13.91           C  \\nATOM    875  OE1 GLN A 105      24.073 -14.069  -4.896  1.00 12.77           O  \\nATOM    876  NE2 GLN A 105      25.583 -12.422  -4.952  1.00 12.88           N  \\nATOM    877  N   MET A 106      26.911 -17.182  -7.927  1.00 16.86           N  \\nATOM    878  CA  MET A 106      28.168 -17.555  -7.304  1.00 19.93           C  \\nATOM    879  C   MET A 106      28.992 -18.528  -8.154  1.00 20.32           C  \\nATOM    880  O   MET A 106      30.235 -18.672  -7.947  1.00 19.35           O  \\nATOM    881  CB  MET A 106      27.924 -18.205  -5.934  1.00 18.60           C  \\nATOM    882  CG  MET A 106      27.386 -17.295  -4.850  1.00 21.31           C  \\nATOM    883  SD  MET A 106      27.471 -18.195  -3.241  1.00 24.31           S  \\nATOM    884  CE  MET A 106      29.254 -18.219  -3.077  1.00 21.71           C  \\nATOM    885  N   GLY A 107      28.305 -19.212  -9.072  1.00 19.11           N  \\nATOM    886  CA  GLY A 107      28.899 -20.293  -9.766  1.00 21.79           C  \\nATOM    887  C   GLY A 107      28.906 -21.551  -8.895  1.00 24.35           C  \\nATOM    888  O   GLY A 107      28.893 -21.551  -7.636  1.00 24.08           O  \\nATOM    889  N   GLU A 108      28.923 -22.661  -9.585  1.00 26.03           N  \\nATOM    890  CA  GLU A 108      28.804 -23.952  -8.941  1.00 27.70           C  \\nATOM    891  C   GLU A 108      30.069 -24.412  -8.154  1.00 28.39           C  \\nATOM    892  O   GLU A 108      29.948 -25.152  -7.168  1.00 30.18           O  \\nATOM    893  CB  GLU A 108      28.274 -24.891 -10.014  1.00 28.40           C  \\nATOM    894  CG  GLU A 108      28.614 -26.283  -9.905  1.00 30.02           C  \\nATOM    895  CD  GLU A 108      28.600 -26.900 -11.263  1.00 32.60           C  \\nATOM    896  OE1 GLU A 108      27.873 -26.389 -12.154  1.00 29.69           O  \\nATOM    897  OE2 GLU A 108      29.348 -27.896 -11.440  1.00 38.04           O  \\nATOM    898  N   THR A 109      31.250 -23.886  -8.486  0.50 27.47           N  \\nATOM    899  CA  THR A 109      32.414 -23.973  -7.598  0.50 26.96           C  \\nATOM    900  C   THR A 109      32.076 -23.316  -6.277  0.50 27.19           C  \\nATOM    901  O   THR A 109      32.057 -23.938  -5.197  0.50 26.88           O  \\nATOM    902  CB  THR A 109      33.597 -23.192  -8.190  0.50 26.80           C  \\nATOM    903  OG1 THR A 109      34.004 -23.821  -9.398  0.50 25.74           O  \\nATOM    904  CG2 THR A 109      34.768 -23.122  -7.219  0.50 26.77           C  \\nATOM    905  N   GLY A 110      31.829 -22.023  -6.405  1.00 27.36           N  \\nATOM    906  CA  GLY A 110      31.351 -21.143  -5.339  1.00 27.49           C  \\nATOM    907  C   GLY A 110      30.484 -21.680  -4.232  1.00 26.84           C  \\nATOM    908  O   GLY A 110      30.497 -21.143  -3.107  0.50 26.84           O  \\nATOM    909  N   VAL A 111      29.723 -22.732  -4.522  1.00 26.45           N  \\nATOM    910  CA  VAL A 111      28.772 -23.259  -3.532  1.00 26.47           C  \\nATOM    911  C   VAL A 111      28.878 -24.772  -3.281  1.00 25.98           C  \\nATOM    912  O   VAL A 111      28.406 -25.246  -2.229  1.00 26.31           O  \\nATOM    913  CB  VAL A 111      27.296 -22.956  -3.901  1.00 26.12           C  \\nATOM    914  CG1 VAL A 111      27.140 -21.547  -4.341  1.00 27.99           C  \\nATOM    915  CG2 VAL A 111      26.880 -23.853  -5.024  1.00 28.79           C  \\nATOM    916  N   ALA A 112      29.420 -25.534  -4.240  0.50 23.07           N  \\nATOM    917  CA  ALA A 112      29.546 -26.957  -4.037  0.50 21.62           C  \\nATOM    918  C   ALA A 112      30.355 -27.117  -2.781  0.50 20.44           C  \\nATOM    919  O   ALA A 112      30.278 -28.151  -2.113  0.50 19.71           O  \\nATOM    920  CB  ALA A 112      30.236 -27.620  -5.226  0.50 20.80           C  \\nATOM    921  N   GLY A 113      31.132 -26.077  -2.463  0.50 20.03           N  \\nATOM    922  CA  GLY A 113      31.970 -26.087  -1.267  0.50 20.03           C  \\nATOM    923  C   GLY A 113      31.194 -25.989   0.020  0.50 20.96           C  \\nATOM    924  O   GLY A 113      31.684 -26.463   1.023  0.50 21.46           O  \\nATOM    925  N   PHE A 114      29.986 -25.378  -0.004  0.50 21.11           N  \\nATOM    926  CA  PHE A 114      29.126 -25.087   1.195  1.00 20.65           C  \\nATOM    927  C   PHE A 114      28.571 -26.368   1.851  1.00 20.80           C  \\nATOM    928  O   PHE A 114      27.332 -26.502   2.086  1.00 20.43           O  \\nATOM    929  CB  PHE A 114      27.883 -24.332   0.771  1.00 20.55           C  \\nATOM    930  CG  PHE A 114      28.052 -22.879   0.652  1.00 21.45           C  \\nATOM    931  CD1 PHE A 114      29.220 -22.324   0.121  1.00 22.63           C  \\nATOM    932  CD2 PHE A 114      27.034 -22.035   1.068  1.00 21.02           C  \\nATOM    933  CE1 PHE A 114      29.361 -20.954  -0.006  1.00 22.30           C  \\nATOM    934  CE2 PHE A 114      27.166 -20.649   0.963  1.00 21.56           C  \\nATOM    935  CZ  PHE A 114      28.325 -20.124   0.398  1.00 17.62           C  \\nATOM    936  N   THR A 115      29.475 -27.271   2.169  1.00 20.48           N  \\nATOM    937  CA  THR A 115      29.179 -28.577   2.662  1.00 20.41           C  \\nATOM    938  C   THR A 115      28.165 -28.563   3.794  1.00 20.50           C  \\nATOM    939  O   THR A 115      27.201 -29.262   3.708  1.00 20.84           O  \\nATOM    940  CB  THR A 115      30.501 -29.245   3.078  1.00 20.89           C  \\nATOM    941  OG1 THR A 115      31.424 -29.087   1.987  1.00 23.33           O  \\nATOM    942  CG2 THR A 115      30.335 -30.728   3.347  1.00 18.66           C  \\nATOM    943  N   ASN A 116      28.371 -27.746   4.839  1.00 18.21           N  \\nATOM    944  CA  ASN A 116      27.469 -27.822   5.988  1.00 17.50           C  \\nATOM    945  C   ASN A 116      26.065 -27.346   5.652  1.00 13.78           C  \\nATOM    946  O   ASN A 116      25.105 -27.922   6.095  1.00 13.64           O  \\nATOM    947  CB  ASN A 116      28.106 -27.124   7.250  1.00 17.58           C  \\nATOM    948  CG  ASN A 116      29.504 -27.696   7.556  1.00 24.31           C  \\nATOM    949  OD1 ASN A 116      29.717 -28.907   7.411  1.00 29.56           O  \\nATOM    950  ND2 ASN A 116      30.470 -26.841   7.880  1.00 20.62           N  \\nATOM    951  N   SER A 117      25.952 -26.296   4.848  1.00 14.67           N  \\nATOM    952  CA  SER A 117      24.664 -25.789   4.444  1.00 12.70           C  \\nATOM    953  C   SER A 117      23.935 -26.835   3.589  1.00 13.95           C  \\nATOM    954  O   SER A 117      22.726 -26.999   3.751  1.00 11.13           O  \\nATOM    955  CB  SER A 117      24.749 -24.492   3.610  1.00 13.93           C  \\nATOM    956  OG  SER A 117      24.987 -23.395   4.421  1.00 16.91           O  \\nATOM    957  N   LEU A 118      24.680 -27.490   2.672  1.00 12.01           N  \\nATOM    958  CA  LEU A 118      24.140 -28.552   1.825  1.00 11.90           C  \\nATOM    959  C   LEU A 118      23.588 -29.687   2.682  1.00 12.14           C  \\nATOM    960  O   LEU A 118      22.451 -30.094   2.500  1.00 13.71           O  \\nATOM    961  CB  LEU A 118      25.203 -29.056   0.878  1.00 13.88           C  \\nATOM    962  CG  LEU A 118      25.595 -28.144  -0.309  1.00 12.09           C  \\nATOM    963  CD1 LEU A 118      26.960 -28.688  -0.910  1.00 13.87           C  \\nATOM    964  CD2 LEU A 118      24.462 -28.057  -1.353  1.00 16.87           C  \\nATOM    965  N   ARG A 119      24.386 -30.183   3.633  1.00 11.98           N  \\nATOM    966  CA  ARG A 119      23.886 -31.245   4.515  1.00 11.24           C  \\nATOM    967  C   ARG A 119      22.593 -30.742   5.202  1.00 11.22           C  \\nATOM    968  O   ARG A 119      21.570 -31.410   5.227  1.00  8.74           O  \\nATOM    969  CB  ARG A 119      24.954 -31.713   5.499  1.00 11.08           C  \\nATOM    970  CG  ARG A 119      24.600 -32.960   6.276  1.00 10.79           C  \\nATOM    971  CD  ARG A 119      25.527 -33.168   7.535  1.00 16.78           C  \\nATOM    972  NE  ARG A 119      25.625 -31.919   8.307  1.00 21.45           N  \\nATOM    973  CZ  ARG A 119      26.668 -31.083   8.324  1.00 29.04           C  \\nATOM    974  NH1 ARG A 119      26.543 -29.952   9.036  1.00 30.09           N  \\nATOM    975  NH2 ARG A 119      27.812 -31.376   7.662  1.00 25.65           N  \\nATOM    976  N   MET A 120      22.583 -29.522   5.725  1.00  9.62           N  \\nATOM    977  CA  MET A 120      21.418 -29.091   6.484  1.00 11.98           C  \\nATOM    978  C   MET A 120      20.134 -28.959   5.604  1.00 11.50           C  \\nATOM    979  O   MET A 120      19.002 -29.260   6.022  1.00  9.90           O  \\nATOM    980  CB  MET A 120      21.732 -27.796   7.222  1.00 11.41           C  \\nATOM    981  CG  MET A 120      22.750 -28.005   8.432  1.00 14.40           C  \\nATOM    982  SD  MET A 120      23.272 -26.344   8.882  1.00 16.62           S  \\nATOM    983  CE  MET A 120      24.670 -26.596   9.954  1.00 12.89           C  \\nATOM    984  N   LEU A 121      20.353 -28.505   4.371  1.00  8.95           N  \\nATOM    985  CA  LEU A 121      19.268 -28.354   3.446  1.00 10.95           C  \\nATOM    986  C   LEU A 121      18.731 -29.725   3.085  1.00  9.95           C  \\nATOM    987  O   LEU A 121      17.498 -29.930   3.091  1.00 10.79           O  \\nATOM    988  CB  LEU A 121      19.741 -27.609   2.202  1.00  9.04           C  \\nATOM    989  CG  LEU A 121      19.936 -26.112   2.375  1.00 11.90           C  \\nATOM    990  CD1 LEU A 121      20.679 -25.667   1.152  1.00 13.70           C  \\nATOM    991  CD2 LEU A 121      18.519 -25.356   2.591  1.00 11.27           C  \\nATOM    992  N   GLN A 122      19.663 -30.658   2.845  1.00 10.83           N  \\nATOM    993  CA  GLN A 122      19.257 -32.019   2.510  1.00 12.46           C  \\nATOM    994  C   GLN A 122      18.462 -32.615   3.648  1.00 12.54           C  \\nATOM    995  O   GLN A 122      17.474 -33.322   3.407  1.00 14.71           O  \\nATOM    996  CB  GLN A 122      20.407 -32.970   2.112  1.00 12.14           C  \\nATOM    997  CG  GLN A 122      19.742 -34.131   1.363  1.00 18.62           C  \\nATOM    998  CD  GLN A 122      20.606 -35.004   0.544  1.00 24.30           C  \\nATOM    999  OE1 GLN A 122      21.807 -34.819   0.482  1.00 27.12           O  \\nATOM   1000  NE2 GLN A 122      19.977 -36.021  -0.112  1.00 29.08           N  \\nATOM   1001  N   GLN A 123      18.911 -32.317   4.870  1.00 10.26           N  \\nATOM   1002  CA  GLN A 123      18.208 -32.763   6.077  1.00 12.09           C  \\nATOM   1003  C   GLN A 123      16.931 -32.015   6.330  1.00 10.49           C  \\nATOM   1004  O   GLN A 123      16.200 -32.435   7.234  1.00 10.22           O  \\nATOM   1005  CB  GLN A 123      19.106 -32.643   7.291  1.00 12.65           C  \\nATOM   1006  CG  GLN A 123      20.318 -33.565   7.214  1.00 14.54           C  \\nATOM   1007  CD  GLN A 123      21.269 -33.210   8.330  1.00 20.20           C  \\nATOM   1008  OE1 GLN A 123      21.588 -32.053   8.569  1.00 23.54           O  \\nATOM   1009  NE2 GLN A 123      21.653 -34.202   9.077  1.00 21.25           N  \\nATOM   1010  N   LYS A 124      16.695 -30.900   5.600  1.00  8.77           N  \\nATOM   1011  CA  LYS A 124      15.551 -30.031   5.775  1.00  9.57           C  \\nATOM   1012  C   LYS A 124      15.472 -29.396   7.157  1.00 10.32           C  \\nATOM   1013  O   LYS A 124      14.365 -29.133   7.691  1.00  8.99           O  \\nATOM   1014  CB  LYS A 124      14.224 -30.803   5.496  1.00 10.84           C  \\nATOM   1015  CG  LYS A 124      14.247 -31.517   4.127  1.00 10.03           C  \\nATOM   1016  CD  LYS A 124      12.790 -31.774   3.726  1.00 14.12           C  \\nATOM   1017  CE  LYS A 124      12.723 -32.564   2.425  1.00 13.03           C  \\nATOM   1018  NZ  LYS A 124      13.073 -31.565   1.389  1.00 11.75           N  \\nATOM   1019  N   ARG A 125      16.657 -29.170   7.740  1.00 11.02           N  \\nATOM   1020  CA  ARG A 125      16.816 -28.343   8.953  1.00 11.19           C  \\nATOM   1021  C   ARG A 125      16.901 -26.896   8.502  1.00 10.83           C  \\nATOM   1022  O   ARG A 125      17.994 -26.317   8.404  1.00  9.31           O  \\nATOM   1023  CB  ARG A 125      18.113 -28.762   9.609  1.00 11.56           C  \\nATOM   1024  CG  ARG A 125      18.068 -30.214  10.018  1.00 14.82           C  \\nATOM   1025  CD  ARG A 125      19.232 -30.566  10.788  1.00 17.30           C  \\nATOM   1026  NE  ARG A 125      18.951 -31.901  11.151  1.00 22.23           N  \\nATOM   1027  CZ  ARG A 125      19.706 -32.652  11.923  1.00 24.26           C  \\nATOM   1028  NH1 ARG A 125      20.837 -32.148  12.432  1.00 24.36           N  \\nATOM   1029  NH2 ARG A 125      19.320 -33.899  12.188  1.00 20.48           N  \\nATOM   1030  N   TRP A 126      15.746 -26.337   8.198  1.00 11.50           N  \\nATOM   1031  CA  TRP A 126      15.685 -25.119   7.433  1.00 11.31           C  \\nATOM   1032  C   TRP A 126      16.275 -23.953   8.184  1.00 10.57           C  \\nATOM   1033  O   TRP A 126      17.036 -23.165   7.611  1.00 10.01           O  \\nATOM   1034  CB  TRP A 126      14.257 -24.802   7.082  1.00 10.69           C  \\nATOM   1035  CG  TRP A 126      13.613 -25.871   6.252  1.00 10.97           C  \\nATOM   1036  CD1 TRP A 126      12.358 -26.454   6.493  1.00 10.96           C  \\nATOM   1037  CD2 TRP A 126      14.107 -26.481   5.039  1.00  8.18           C  \\nATOM   1038  NE1 TRP A 126      12.061 -27.350   5.497  1.00  7.24           N  \\nATOM   1039  CE2 TRP A 126      13.098 -27.377   4.586  1.00  7.76           C  \\nATOM   1040  CE3 TRP A 126      15.290 -26.325   4.258  1.00  8.21           C  \\nATOM   1041  CZ2 TRP A 126      13.245 -28.152   3.432  1.00  9.89           C  \\nATOM   1042  CZ3 TRP A 126      15.435 -27.102   3.119  1.00 11.23           C  \\nATOM   1043  CH2 TRP A 126      14.409 -28.011   2.710  1.00 12.37           C  \\nATOM   1044  N   ASP A 127      15.907 -23.826   9.446  1.00 10.56           N  \\nATOM   1045  CA  ASP A 127      16.403 -22.699  10.270  1.00 11.21           C  \\nATOM   1046  C   ASP A 127      17.898 -22.777  10.490  1.00 12.06           C  \\nATOM   1047  O   ASP A 127      18.585 -21.791  10.363  1.00 10.46           O  \\nATOM   1048  CB  ASP A 127      15.672 -22.650  11.597  1.00 11.48           C  \\nATOM   1049  CG  ASP A 127      14.328 -21.976  11.482  1.00 13.96           C  \\nATOM   1050  OD1 ASP A 127      13.703 -21.980  10.412  1.00 16.32           O  \\nATOM   1051  OD2 ASP A 127      13.868 -21.460  12.516  1.00 16.07           O  \\nATOM   1052  N   GLU A 128      18.406 -23.969  10.754  1.00 11.28           N  \\nATOM   1053  CA  GLU A 128      19.822 -24.183  10.852  1.00 10.84           C  \\nATOM   1054  C   GLU A 128      20.590 -23.895   9.551  1.00  9.95           C  \\nATOM   1055  O   GLU A 128      21.689 -23.278   9.605  1.00 10.56           O  \\nATOM   1056  CB  GLU A 128      20.059 -25.637  11.273  1.00 12.35           C  \\nATOM   1057  CG  GLU A 128      19.654 -25.892  12.743  1.00 14.29           C  \\nATOM   1058  CD  GLU A 128      19.518 -27.371  13.042  1.00 23.59           C  \\nATOM   1059  OE1 GLU A 128      20.571 -27.988  13.244  1.00 28.03           O  \\nATOM   1060  OE2 GLU A 128      18.393 -27.936  13.004  1.00 22.82           O  \\nATOM   1061  N   ALA A 129      20.059 -24.427   8.412  1.00  9.52           N  \\nATOM   1062  CA  ALA A 129      20.614 -24.150   7.121  1.00  8.08           C  \\nATOM   1063  C   ALA A 129      20.664 -22.660   6.960  1.00  9.66           C  \\nATOM   1064  O   ALA A 129      21.700 -22.135   6.548  1.00 10.47           O  \\nATOM   1065  CB  ALA A 129      19.752 -24.760   5.994  1.00  9.66           C  \\nATOM   1066  N   ALA A 130      19.540 -21.985   7.223  1.00  8.59           N  \\nATOM   1067  CA  ALA A 130      19.482 -20.501   7.031  1.00  9.27           C  \\nATOM   1068  C   ALA A 130      20.574 -19.751   7.877  1.00 11.55           C  \\nATOM   1069  O   ALA A 130      21.278 -18.835   7.360  1.00  9.06           O  \\nATOM   1070  CB  ALA A 130      18.069 -19.952   7.273  1.00 11.90           C  \\nATOM   1071  N   VAL A 131      20.722 -20.142   9.168  1.00  9.05           N  \\nATOM   1072  CA  VAL A 131      21.816 -19.616   9.977  1.00  9.62           C  \\nATOM   1073  C   VAL A 131      23.230 -19.906   9.329  1.00 10.40           C  \\nATOM   1074  O   VAL A 131      24.079 -18.998   9.194  1.00 11.43           O  \\nATOM   1075  CB  VAL A 131      21.717 -20.155  11.429  1.00  9.12           C  \\nATOM   1076  CG1 VAL A 131      23.013 -19.853  12.229  1.00  8.74           C  \\nATOM   1077  CG2 VAL A 131      20.483 -19.699  12.090  1.00  7.97           C  \\nATOM   1078  N   ASN A 132      23.468 -21.140   8.902  1.00  8.63           N  \\nATOM   1079  CA  ASN A 132      24.738 -21.475   8.298  1.00  9.35           C  \\nATOM   1080  C   ASN A 132      25.009 -20.676   6.989  1.00 10.31           C  \\nATOM   1081  O   ASN A 132      26.130 -20.183   6.752  1.00 11.19           O  \\nATOM   1082  CB  ASN A 132      24.859 -22.983   8.098  1.00 10.23           C  \\nATOM   1083  CG  ASN A 132      26.243 -23.402   7.634  1.00  9.00           C  \\nATOM   1084  OD1 ASN A 132      26.518 -23.466   6.454  1.00 10.71           O  \\nATOM   1085  ND2 ASN A 132      27.157 -23.579   8.585  1.00 12.84           N  \\nATOM   1086  N   LEU A 133      23.994 -20.536   6.159  1.00 10.56           N  \\nATOM   1087  CA  LEU A 133      24.183 -19.848   4.879  1.00 10.42           C  \\nATOM   1088  C   LEU A 133      24.692 -18.414   5.076  1.00 11.53           C  \\nATOM   1089  O   LEU A 133      25.361 -17.880   4.204  1.00  9.09           O  \\nATOM   1090  CB  LEU A 133      22.847 -19.880   4.082  1.00 12.47           C  \\nATOM   1091  CG  LEU A 133      22.511 -21.243   3.411  1.00 11.75           C  \\nATOM   1092  CD1 LEU A 133      21.076 -21.166   2.998  1.00 14.40           C  \\nATOM   1093  CD2 LEU A 133      23.509 -21.430   2.218  1.00 10.18           C  \\nATOM   1094  N   ALA A 134      24.244 -17.761   6.164  1.00  9.86           N  \\nATOM   1095  CA  ALA A 134      24.515 -16.342   6.376  1.00 11.13           C  \\nATOM   1096  C   ALA A 134      25.937 -16.135   6.860  1.00 10.53           C  \\nATOM   1097  O   ALA A 134      26.468 -15.019   6.763  1.00 13.61           O  \\nATOM   1098  CB  ALA A 134      23.540 -15.727   7.359  1.00  6.79           C  \\nATOM   1099  N   LYS A 135      26.521 -17.176   7.420  1.00 10.88           N  \\nATOM   1100  CA  LYS A 135      27.938 -17.210   7.824  1.00 12.29           C  \\nATOM   1101  C   LYS A 135      28.867 -17.317   6.622  1.00 10.63           C  \\nATOM   1102  O   LYS A 135      29.602 -18.282   6.499  1.00 11.00           O  \\nATOM   1103  CB  LYS A 135      28.212 -18.324   8.874  1.00 10.79           C  \\nATOM   1104  CG  LYS A 135      27.435 -18.174  10.139  1.00 12.16           C  \\nATOM   1105  CD  LYS A 135      27.536 -19.419  11.051  1.00 14.53           C  \\nATOM   1106  CE  LYS A 135      27.007 -19.193  12.427  0.50 14.32           C  \\nATOM   1107  NZ  LYS A 135      26.869 -20.512  13.183  0.50  7.91           N  \\nATOM   1108  N   SER A 136      28.856 -16.325   5.707  1.00  9.25           N  \\nATOM   1109  CA  SER A 136      29.565 -16.487   4.458  1.00  7.74           C  \\nATOM   1110  C   SER A 136      29.969 -15.082   3.896  1.00  8.32           C  \\nATOM   1111  O   SER A 136      29.318 -14.072   4.224  1.00  5.92           O  \\nATOM   1112  CB  SER A 136      28.638 -17.216   3.471  1.00  6.70           C  \\nATOM   1113  OG  SER A 136      27.458 -16.399   3.154  1.00  7.37           O  \\nATOM   1114  N   ARG A 137      31.044 -15.062   3.103  1.00  9.64           N  \\nATOM   1115  CA  ARG A 137      31.454 -13.895   2.335  1.00  9.18           C  \\nATOM   1116  C   ARG A 137      30.303 -13.518   1.444  1.00  9.66           C  \\nATOM   1117  O   ARG A 137      29.933 -12.374   1.386  1.00 10.57           O  \\nATOM   1118  CB  ARG A 137      32.711 -14.249   1.451  1.00  9.58           C  \\nATOM   1119  CG  ARG A 137      32.909 -13.118   0.439  1.00 13.45           C  \\nATOM   1120  CD  ARG A 137      34.044 -13.289  -0.494  1.00 19.25           C  \\nATOM   1121  NE  ARG A 137      34.397 -11.993  -1.080  1.00 21.02           N  \\nATOM   1122  CZ  ARG A 137      33.786 -11.405  -2.111  1.00 22.67           C  \\nATOM   1123  NH1 ARG A 137      32.706 -11.928  -2.706  1.00 20.47           N  \\nATOM   1124  NH2 ARG A 137      34.260 -10.228  -2.523  1.00 19.29           N  \\nATOM   1125  N   TRP A 138      29.623 -14.521   0.885  1.00 11.03           N  \\nATOM   1126  CA  TRP A 138      28.437 -14.316   0.098  1.00 11.24           C  \\nATOM   1127  C   TRP A 138      27.454 -13.347   0.764  1.00 11.55           C  \\nATOM   1128  O   TRP A 138      27.027 -12.314   0.188  1.00  9.89           O  \\nATOM   1129  CB  TRP A 138      27.744 -15.665  -0.146  1.00 10.91           C  \\nATOM   1130  CG  TRP A 138      26.395 -15.538  -0.873  1.00 12.27           C  \\nATOM   1131  CD1 TRP A 138      26.133 -14.884  -2.074  1.00 12.34           C  \\nATOM   1132  CD2 TRP A 138      25.152 -16.132  -0.462  1.00 12.34           C  \\nATOM   1133  NE1 TRP A 138      24.792 -15.025  -2.412  1.00 13.37           N  \\nATOM   1134  CE2 TRP A 138      24.172 -15.788  -1.447  1.00 11.66           C  \\nATOM   1135  CE3 TRP A 138      24.760 -16.870   0.682  1.00 12.11           C  \\nATOM   1136  CZ2 TRP A 138      22.839 -16.176  -1.361  1.00  8.21           C  \\nATOM   1137  CZ3 TRP A 138      23.431 -17.296   0.779  1.00 10.35           C  \\nATOM   1138  CH2 TRP A 138      22.456 -16.924  -0.247  1.00 14.47           C  \\nATOM   1139  N   TYR A 139      27.012 -13.737   1.949  1.00 11.34           N  \\nATOM   1140  CA  TYR A 139      26.026 -12.943   2.704  1.00 11.23           C  \\nATOM   1141  C   TYR A 139      26.575 -11.534   3.036  1.00  9.47           C  \\nATOM   1142  O   TYR A 139      25.897 -10.529   2.916  1.00 10.38           O  \\nATOM   1143  CB  TYR A 139      25.734 -13.665   4.018  1.00 12.01           C  \\nATOM   1144  CG  TYR A 139      24.693 -12.895   4.795  1.00 12.94           C  \\nATOM   1145  CD1 TYR A 139      23.352 -13.084   4.521  1.00 12.59           C  \\nATOM   1146  CD2 TYR A 139      25.067 -11.908   5.717  1.00 19.30           C  \\nATOM   1147  CE1 TYR A 139      22.350 -12.339   5.171  1.00 16.64           C  \\nATOM   1148  CE2 TYR A 139      24.090 -11.131   6.385  1.00 21.33           C  \\nATOM   1149  CZ  TYR A 139      22.735 -11.330   6.092  1.00 22.30           C  \\nATOM   1150  OH  TYR A 139      21.753 -10.556   6.754  1.00 24.45           O  \\nATOM   1151  N   ASN A 140      27.821 -11.472   3.470  1.00 10.13           N  \\nATOM   1152  CA  ASN A 140      28.380 -10.204   3.913  1.00  9.96           C  \\nATOM   1153  C   ASN A 140      28.594  -9.261   2.758  1.00  9.63           C  \\nATOM   1154  O   ASN A 140      28.414  -8.085   2.964  1.00 11.53           O  \\nATOM   1155  CB  ASN A 140      29.645 -10.332   4.669  1.00 11.45           C  \\nATOM   1156  CG  ASN A 140      29.432 -10.943   5.998  1.00 16.67           C  \\nATOM   1157  OD1 ASN A 140      29.744 -12.139   6.227  1.00 16.40           O  \\nATOM   1158  ND2 ASN A 140      28.909 -10.137   6.916  1.00 18.71           N  \\nATOM   1159  N   GLN A 141      28.875  -9.770   1.578  1.00  8.18           N  \\nATOM   1160  CA  GLN A 141      29.117  -8.909   0.408  1.00  9.37           C  \\nATOM   1161  C   GLN A 141      27.830  -8.437  -0.224  1.00  9.01           C  \\nATOM   1162  O   GLN A 141      27.732  -7.271  -0.722  1.00 10.59           O  \\nATOM   1163  CB  GLN A 141      30.005  -9.606  -0.625  1.00  9.35           C  \\nATOM   1164  CG  GLN A 141      31.492  -9.894  -0.173  1.00 13.96           C  \\nATOM   1165  CD  GLN A 141      32.188  -8.695   0.540  1.00 14.24           C  \\nATOM   1166  OE1 GLN A 141      32.719  -8.840   1.666  1.00 12.50           O  \\nATOM   1167  NE2 GLN A 141      32.211  -7.514  -0.159  1.00 14.10           N  \\nATOM   1168  N   THR A 142      26.849  -9.334  -0.296  1.00  7.29           N  \\nATOM   1169  CA  THR A 142      25.546  -8.991  -0.865  1.00  8.08           C  \\nATOM   1170  C   THR A 142      24.452  -9.380   0.129  1.00  8.74           C  \\nATOM   1171  O   THR A 142      23.703 -10.369  -0.122  1.00  8.55           O  \\nATOM   1172  CB  THR A 142      25.294  -9.708  -2.292  1.00  8.81           C  \\nATOM   1173  OG1 THR A 142      25.507 -11.144  -2.185  1.00 10.19           O  \\nATOM   1174  CG2 THR A 142      26.232  -9.107  -3.351  1.00  8.35           C  \\nATOM   1175  N   PRO A 143      24.377  -8.678   1.270  1.00 10.31           N  \\nATOM   1176  CA  PRO A 143      23.436  -9.139   2.315  1.00 10.69           C  \\nATOM   1177  C   PRO A 143      21.985  -9.007   1.926  1.00 11.77           C  \\nATOM   1178  O   PRO A 143      21.181  -9.846   2.330  1.00 13.01           O  \\nATOM   1179  CB  PRO A 143      23.788  -8.212   3.547  1.00 10.60           C  \\nATOM   1180  CG  PRO A 143      24.424  -7.016   2.957  1.00 12.90           C  \\nATOM   1181  CD  PRO A 143      25.164  -7.483   1.737  1.00  8.51           C  \\nATOM   1182  N   ASP A 144      21.612  -7.977   1.170  1.00  9.27           N  \\nATOM   1183  CA  ASP A 144      20.178  -7.796   0.924  1.00 10.93           C  \\nATOM   1184  C   ASP A 144      19.654  -8.950   0.028  1.00 10.02           C  \\nATOM   1185  O   ASP A 144      18.618  -9.573   0.307  1.00  6.13           O  \\nATOM   1186  CB  ASP A 144      19.906  -6.399   0.349  1.00 10.61           C  \\nATOM   1187  CG  ASP A 144      20.068  -5.269   1.463  1.00 12.99           C  \\nATOM   1188  OD1 ASP A 144      20.160  -5.566   2.651  1.00 19.65           O  \\nATOM   1189  OD2 ASP A 144      20.125  -4.131   1.116  1.00 20.27           O  \\nATOM   1190  N   ARG A 145      20.455  -9.241  -0.987  1.00  8.94           N  \\nATOM   1191  CA  ARG A 145      20.138 -10.336  -1.897  1.00 10.43           C  \\nATOM   1192  C   ARG A 145      20.211 -11.686  -1.194  1.00  9.22           C  \\nATOM   1193  O   ARG A 145      19.344 -12.520  -1.358  1.00  9.97           O  \\nATOM   1194  CB  ARG A 145      21.075 -10.344  -3.101  1.00 11.14           C  \\nATOM   1195  CG  ARG A 145      20.485 -11.315  -4.193  1.00 11.36           C  \\nATOM   1196  CD  ARG A 145      21.577 -11.846  -4.946  1.00 16.41           C  \\nATOM   1197  NE  ARG A 145      21.239 -12.817  -5.951  1.00 13.85           N  \\nATOM   1198  CZ  ARG A 145      21.814 -12.769  -7.147  1.00 14.83           C  \\nATOM   1199  NH1 ARG A 145      22.651 -11.764  -7.404  1.00 12.25           N  \\nATOM   1200  NH2 ARG A 145      21.533 -13.680  -8.075  1.00 10.86           N  \\nATOM   1201  N   ALA A 146      21.291 -11.919  -0.470  1.00 10.54           N  \\nATOM   1202  CA  ALA A 146      21.522 -13.175   0.219  1.00  8.75           C  \\nATOM   1203  C   ALA A 146      20.360 -13.395   1.244  1.00  9.60           C  \\nATOM   1204  O   ALA A 146      19.936 -14.521   1.446  1.00  9.60           O  \\nATOM   1205  CB  ALA A 146      22.907 -13.178   0.919  1.00 10.90           C  \\nATOM   1206  N   LYS A 147      19.917 -12.329   1.930  1.00  9.35           N  \\nATOM   1207  CA ALYS A 147      18.779 -12.380   2.883  0.50  9.70           C  \\nATOM   1208  CA BLYS A 147      18.806 -12.458   2.883  0.50  9.35           C  \\nATOM   1209  C   LYS A 147      17.519 -12.911   2.181  1.00  9.60           C  \\nATOM   1210  O   LYS A 147      16.809 -13.793   2.698  1.00  9.12           O  \\nATOM   1211  CB ALYS A 147      18.498 -10.981   3.453  0.50 10.21           C  \\nATOM   1212  CB BLYS A 147      18.603 -11.141   3.600  0.50  9.10           C  \\nATOM   1213  CG ALYS A 147      19.370 -10.521   4.638  0.50 11.22           C  \\nATOM   1214  CG BLYS A 147      17.454 -11.101   4.574  0.50  6.22           C  \\nATOM   1215  CD ALYS A 147      19.328  -8.952   4.874  0.50  8.64           C  \\nATOM   1216  CD BLYS A 147      17.268  -9.648   5.044  0.50  7.29           C  \\nATOM   1217  CE ALYS A 147      20.131  -8.574   6.141  0.50 13.87           C  \\nATOM   1218  CE BLYS A 147      18.370  -9.164   5.948  0.50  8.48           C  \\nATOM   1219  NZ ALYS A 147      19.929  -7.106   6.677  0.50 15.97           N  \\nATOM   1220  NZ BLYS A 147      17.931  -7.858   6.603  0.50 16.66           N  \\nATOM   1221  N   ARG A 148      17.234 -12.360   0.991  1.00  8.37           N  \\nATOM   1222  CA  ARG A 148      16.067 -12.838   0.171  1.00  8.61           C  \\nATOM   1223  C   ARG A 148      16.233 -14.314  -0.189  1.00  8.22           C  \\nATOM   1224  O   ARG A 148      15.310 -15.053  -0.090  1.00  7.25           O  \\nATOM   1225  CB  ARG A 148      15.944 -12.055  -1.149  1.00  9.76           C  \\nATOM   1226  CG  ARG A 148      15.473 -10.615  -0.941  1.00  9.47           C  \\nATOM   1227  CD  ARG A 148      14.955 -10.035  -2.231  1.00 11.55           C  \\nATOM   1228  NE  ARG A 148      16.083  -9.749  -3.139  1.00  9.12           N  \\nATOM   1229  CZ  ARG A 148      16.892  -8.676  -3.062  1.00 12.62           C  \\nATOM   1230  NH1 ARG A 148      16.699  -7.768  -2.117  1.00 11.46           N  \\nATOM   1231  NH2 ARG A 148      17.889  -8.526  -3.954  1.00  7.84           N  \\nATOM   1232  N   VAL A 149      17.429 -14.750  -0.595  1.00  9.31           N  \\nATOM   1233  CA  VAL A 149      17.599 -16.132  -1.123  1.00  7.43           C  \\nATOM   1234  C   VAL A 149      17.571 -17.102   0.084  1.00  9.63           C  \\nATOM   1235  O   VAL A 149      16.940 -18.198   0.029  1.00 10.27           O  \\nATOM   1236  CB  VAL A 149      18.979 -16.230  -1.786  1.00  8.60           C  \\nATOM   1237  CG1 VAL A 149      19.371 -17.719  -2.042  1.00  8.06           C  \\nATOM   1238  CG2 VAL A 149      18.972 -15.349  -3.090  1.00  7.73           C  \\nATOM   1239  N   ILE A 150      18.222 -16.666   1.177  1.00  9.83           N  \\nATOM   1240  CA  ILE A 150      18.142 -17.430   2.438  1.00 11.08           C  \\nATOM   1241  C   ILE A 150      16.717 -17.579   2.946  1.00 11.53           C  \\nATOM   1242  O   ILE A 150      16.341 -18.670   3.374  1.00 11.02           O  \\nATOM   1243  CB  ILE A 150      19.001 -16.834   3.572  1.00  9.45           C  \\nATOM   1244  CG1 ILE A 150      20.472 -17.088   3.243  1.00  9.95           C  \\nATOM   1245  CG2 ILE A 150      18.662 -17.599   4.911  1.00  7.97           C  \\nATOM   1246  CD1 ILE A 150      21.574 -16.163   4.027  1.00 11.27           C  \\nATOM   1247  N   THR A 151      15.922 -16.493   2.904  1.00 11.17           N  \\nATOM   1248  CA  THR A 151      14.541 -16.602   3.335  1.00 12.11           C  \\nATOM   1249  C   THR A 151      13.775 -17.631   2.473  1.00 12.25           C  \\nATOM   1250  O   THR A 151      12.927 -18.371   3.012  1.00 12.54           O  \\nATOM   1251  CB  THR A 151      13.820 -15.220   3.345  1.00 10.72           C  \\nATOM   1252  OG1 THR A 151      14.267 -14.471   4.478  1.00 13.62           O  \\nATOM   1253  CG2 THR A 151      12.318 -15.372   3.444  1.00 12.40           C  \\nATOM   1254  N   THR A 152      14.103 -17.685   1.177  1.00 11.02           N  \\nATOM   1255  CA  THR A 152      13.506 -18.620   0.217  1.00 11.59           C  \\nATOM   1256  C   THR A 152      13.851 -20.065   0.626  1.00 11.09           C  \\nATOM   1257  O   THR A 152      12.947 -20.915   0.681  1.00 11.15           O  \\nATOM   1258  CB  THR A 152      13.853 -18.286  -1.255  1.00  9.65           C  \\nATOM   1259  OG1 THR A 152      13.605 -16.884  -1.448  1.00 14.45           O  \\nATOM   1260  CG2 THR A 152      12.966 -19.074  -2.258  1.00 12.97           C  \\nATOM   1261  N   PHE A 153      15.141 -20.340   0.843  1.00 11.82           N  \\nATOM   1262  CA  PHE A 153      15.577 -21.606   1.457  1.00 11.41           C  \\nATOM   1263  C   PHE A 153      14.940 -21.933   2.811  1.00 12.38           C  \\nATOM   1264  O   PHE A 153      14.699 -23.136   3.120  1.00 15.74           O  \\nATOM   1265  CB  PHE A 153      17.093 -21.612   1.686  1.00  9.49           C  \\nATOM   1266  CG  PHE A 153      17.896 -21.945   0.481  1.00 10.80           C  \\nATOM   1267  CD1 PHE A 153      18.895 -21.077   0.047  1.00 10.33           C  \\nATOM   1268  CD2 PHE A 153      17.724 -23.180  -0.204  1.00 12.15           C  \\nATOM   1269  CE1 PHE A 153      19.701 -21.401  -1.129  1.00 12.42           C  \\nATOM   1270  CE2 PHE A 153      18.488 -23.533  -1.280  1.00 10.32           C  \\nATOM   1271  CZ  PHE A 153      19.528 -22.634  -1.772  1.00 11.42           C  \\nATOM   1272  N   ARG A 154      14.761 -20.930   3.673  1.00 12.17           N  \\nATOM   1273  CA AARG A 154      14.271 -21.230   5.013  0.50 12.64           C  \\nATOM   1274  CA BARG A 154      14.265 -21.155   5.019  0.50 12.11           C  \\nATOM   1275  C   ARG A 154      12.793 -21.588   4.990  1.00 11.62           C  \\nATOM   1276  O   ARG A 154      12.371 -22.461   5.725  1.00 11.54           O  \\nATOM   1277  CB AARG A 154      14.542 -20.110   6.040  0.50 12.03           C  \\nATOM   1278  CB BARG A 154      14.448 -19.882   5.864  0.50 11.14           C  \\nATOM   1279  CG AARG A 154      14.117 -20.513   7.498  0.50 12.79           C  \\nATOM   1280  CG BARG A 154      14.519 -20.121   7.388  0.50 12.64           C  \\nATOM   1281  CD AARG A 154      14.231 -19.378   8.534  0.50 13.25           C  \\nATOM   1282  CD BARG A 154      14.774 -18.832   8.189  0.50 10.89           C  \\nATOM   1283  NE AARG A 154      13.509 -18.163   8.171  0.50 14.10           N  \\nATOM   1284  NE BARG A 154      13.826 -17.758   7.886  0.50 13.71           N  \\nATOM   1285  CZ AARG A 154      12.194 -17.951   8.305  0.50 14.90           C  \\nATOM   1286  CZ BARG A 154      14.100 -16.680   7.145  0.50 13.45           C  \\nATOM   1287  NH1AARG A 154      11.388 -18.878   8.810  0.50 15.25           N  \\nATOM   1288  NH1BARG A 154      15.317 -16.513   6.641  0.50 14.29           N  \\nATOM   1289  NH2AARG A 154      11.679 -16.787   7.913  0.50 13.29           N  \\nATOM   1290  NH2BARG A 154      13.152 -15.754   6.927  0.50 14.08           N  \\nATOM   1291  N   THR A 155      12.024 -20.943   4.130  1.00 13.12           N  \\nATOM   1292  CA  THR A 155      10.549 -21.026   4.177  1.00 13.94           C  \\nATOM   1293  C   THR A 155       9.908 -21.788   3.051  1.00 14.32           C  \\nATOM   1294  O   THR A 155       8.759 -22.167   3.193  1.00 14.45           O  \\nATOM   1295  CB  THR A 155       9.926 -19.631   4.155  1.00 13.49           C  \\nATOM   1296  OG1 THR A 155      10.251 -19.012   2.897  1.00 15.46           O  \\nATOM   1297  CG2 THR A 155      10.442 -18.703   5.338  1.00 13.53           C  \\nATOM   1298  N   GLY A 156      10.633 -21.942   1.928  1.00 13.63           N  \\nATOM   1299  CA  GLY A 156      10.174 -22.488   0.706  1.00 11.64           C  \\nATOM   1300  C   GLY A 156       8.986 -21.701   0.179  1.00 11.69           C  \\nATOM   1301  O   GLY A 156       8.126 -22.272  -0.423  1.00 12.57           O  \\nATOM   1302  N   THR A 157       8.932 -20.389   0.508  1.00 10.85           N  \\nATOM   1303  CA  THR A 157       7.887 -19.474   0.069  1.00 11.02           C  \\nATOM   1304  C   THR A 157       8.547 -18.365  -0.713  1.00 10.31           C  \\nATOM   1305  O   THR A 157       9.768 -18.252  -0.731  1.00 10.58           O  \\nATOM   1306  CB  THR A 157       7.146 -18.727   1.212  1.00 11.05           C  \\nATOM   1307  OG1 THR A 157       8.033 -17.802   1.905  1.00 15.11           O  \\nATOM   1308  CG2 THR A 157       6.431 -19.683   2.169  1.00 11.04           C  \\nATOM   1309  N   TRP A 158       7.732 -17.524  -1.327  1.00 10.88           N  \\nATOM   1310  CA  TRP A 158       8.245 -16.440  -2.129  1.00 11.92           C  \\nATOM   1311  C   TRP A 158       8.123 -15.117  -1.329  1.00 11.55           C  \\nATOM   1312  O   TRP A 158       8.063 -14.022  -1.898  1.00 13.28           O  \\nATOM   1313  CB  TRP A 158       7.465 -16.359  -3.418  1.00 11.93           C  \\nATOM   1314  CG  TRP A 158       7.822 -17.470  -4.450  1.00 12.74           C  \\nATOM   1315  CD1 TRP A 158       6.994 -18.416  -4.898  1.00 13.77           C  \\nATOM   1316  CD2 TRP A 158       9.073 -17.655  -5.122  1.00 15.01           C  \\nATOM   1317  NE1 TRP A 158       7.622 -19.198  -5.820  1.00 14.08           N  \\nATOM   1318  CE2 TRP A 158       8.911 -18.751  -5.989  1.00 11.00           C  \\nATOM   1319  CE3 TRP A 158      10.330 -16.968  -5.102  1.00  8.15           C  \\nATOM   1320  CZ2 TRP A 158       9.950 -19.223  -6.823  1.00  9.81           C  \\nATOM   1321  CZ3 TRP A 158      11.341 -17.430  -5.941  1.00 10.77           C  \\nATOM   1322  CH2 TRP A 158      11.147 -18.560  -6.783  1.00 12.63           C  \\nATOM   1323  N   ASP A 159       8.038 -15.239  -0.012  1.00 11.99           N  \\nATOM   1324  CA  ASP A 159       7.758 -14.091   0.811  1.00 13.38           C  \\nATOM   1325  C   ASP A 159       8.791 -12.976   0.590  1.00 13.72           C  \\nATOM   1326  O   ASP A 159       8.420 -11.809   0.534  1.00 12.07           O  \\nATOM   1327  CB  ASP A 159       7.776 -14.531   2.270  1.00 14.76           C  \\nATOM   1328  CG  ASP A 159       6.512 -15.215   2.649  1.00 17.82           C  \\nATOM   1329  OD1 ASP A 159       5.653 -15.352   1.752  1.00 17.18           O  \\nATOM   1330  OD2 ASP A 159       6.407 -15.595   3.819  1.00 25.15           O  \\nATOM   1331  N   ALA A 160      10.058 -13.327   0.343  1.00 11.99           N  \\nATOM   1332  CA  ALA A 160      11.091 -12.278   0.261  1.00 11.80           C  \\nATOM   1333  C   ALA A 160      11.050 -11.555  -1.056  1.00 12.16           C  \\nATOM   1334  O   ALA A 160      11.750 -10.588  -1.236  1.00 11.65           O  \\nATOM   1335  CB  ALA A 160      12.506 -12.910   0.484  1.00 10.51           C  \\nATOM   1336  N   TYR A 161      10.216 -12.014  -2.004  1.00 14.08           N  \\nATOM   1337  CA  TYR A 161      10.175 -11.432  -3.346  1.00 14.80           C  \\nATOM   1338  C   TYR A 161       8.774 -10.867  -3.685  1.00 18.27           C  \\nATOM   1339  O   TYR A 161       8.596 -10.195  -4.714  1.00 18.91           O  \\nATOM   1340  CB  TYR A 161      10.570 -12.489  -4.414  1.00 14.76           C  \\nATOM   1341  CG  TYR A 161      12.018 -12.852  -4.385  1.00 12.49           C  \\nATOM   1342  CD1 TYR A 161      12.490 -13.904  -3.579  1.00 11.83           C  \\nATOM   1343  CD2 TYR A 161      12.928 -12.124  -5.112  1.00 10.82           C  \\nATOM   1344  CE1 TYR A 161      13.846 -14.213  -3.515  1.00 10.92           C  \\nATOM   1345  CE2 TYR A 161      14.310 -12.395  -5.068  1.00  8.48           C  \\nATOM   1346  CZ  TYR A 161      14.754 -13.457  -4.262  1.00 12.20           C  \\nATOM   1347  OH  TYR A 161      16.096 -13.759  -4.188  1.00 12.18           O  \\nATOM   1348  N   LYS A 162       7.786 -11.082  -2.826  0.50 18.90           N  \\nATOM   1349  CA  LYS A 162       6.443 -11.100  -3.371  0.50 19.75           C  \\nATOM   1350  C   LYS A 162       5.807  -9.773  -3.856  0.50 20.49           C  \\nATOM   1351  O   LYS A 162       5.003  -9.833  -4.775  0.50 20.39           O  \\nATOM   1352  CB  LYS A 162       5.494 -12.080  -2.646  0.50 19.69           C  \\nATOM   1353  CG  LYS A 162       5.382 -11.924  -1.136  0.50 20.78           C  \\nATOM   1354  CD  LYS A 162       4.505 -13.051  -0.566  0.50 19.81           C  \\nATOM   1355  CE  LYS A 162       3.705 -12.529   0.595  0.50 18.08           C  \\nATOM   1356  NZ  LYS A 162       2.689 -13.534   1.027  0.50 21.58           N  \\nATOM   1357  N   ASN A 163       6.166  -8.586  -3.355  0.50 21.64           N  \\nATOM   1358  CA  ASN A 163       6.996  -8.322  -2.203  0.50 23.15           C  \\nATOM   1359  C   ASN A 163       6.211  -7.397  -1.262  0.50 24.32           C  \\nATOM   1360  O   ASN A 163       6.241  -6.164  -1.395  0.50 24.66           O  \\nATOM   1361  CB  ASN A 163       8.345  -7.659  -2.590  0.50 24.09           C  \\nATOM   1362  CG  ASN A 163       8.264  -6.773  -3.876  0.50 24.52           C  \\nATOM   1363  OD1 ASN A 163       7.180  -6.439  -4.355  0.50 26.98           O  \\nATOM   1364  ND2 ASN A 163       9.430  -6.410  -4.423  0.50 24.01           N  \\nTER    1365      ASN A 163                                                       \\nEND\",\"pdb\");\n\tviewer_17198354657402534.setStyle({\"model\": 0},{\"cartoon\": {\"color\": \"white\", \"opacity\": 1, \"singleBonds\": false}});\n\tviewer_17198354657402534.addSurface(\"SES\",{\"colorscheme\": {\"prop\": \"resn\", \"map\": {\"ALA\": \"#4cff4c\", \"ARG\": \"#ffffff\", \"ASN\": \"#e2ffe2\", \"ASP\": \"#e2ffe2\", \"CYS\": \"#38ff38\", \"GLN\": \"#e2ffe2\", \"GLU\": \"#e2ffe2\", \"GLY\": \"#8aff8a\", \"HIS\": \"#daffda\", \"ILE\": \"#00ff00\", \"LEU\": \"#13ff13\", \"LYS\": \"#eeffee\", \"MET\": \"#49ff49\", \"PHE\": \"#30ff30\", \"PRO\": \"#acffac\", \"SER\": \"#96ff96\", \"THR\": \"#93ff93\", \"TRP\": \"#99ff99\", \"TYR\": \"#a4ffa4\", \"VAL\": \"#08ff08\"}}, \"opacity\": 1, \"singleBonds\": false},{\"model\": 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       "        <p id=\"3dmolwarning_17198354657402534\" style=\"background-color:#ffcccc;color:black\">You appear to be running in JupyterLab (or JavaScript failed to load for some other reason).  You need to install the 3dmol extension: <br>\n",
       "        <tt>jupyter labextension install jupyterlab_3dmol</tt></p>\n",
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       "  $3Dmolpromise = loadScriptAsync('https://cdnjs.cloudflare.com/ajax/libs/3Dmol/2.0.4/3Dmol-min.js');\n",
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       "viewer_17198354657402534.zoomTo();\n",
       "\tviewer_17198354657402534.addModel(\"ATOM      1  N   MET A   1       5.561 -15.963  -8.933  1.00 16.19           N  \\nATOM      2  CA AMET A   1       7.044 -15.926  -8.982  0.50 15.51           C  \\nATOM      3  CA BMET A   1       7.052 -15.985  -8.910  0.50 15.98           C  \\nATOM      4  C   MET A   1       7.565 -17.233  -9.569  1.00 15.36           C  \\nATOM      5  O   MET A   1       6.935 -18.292  -9.473  1.00 14.94           O  \\nATOM      6  CB AMET A   1       7.633 -15.614  -7.579  0.50 15.40           C  \\nATOM      7  CB BMET A   1       7.591 -15.959  -7.473  0.50 16.50           C  \\nATOM      8  CG AMET A   1       9.121 -15.214  -7.502  0.50 15.40           C  \\nATOM      9  CG BMET A   1       7.587 -14.631  -6.772  0.50 17.53           C  \\nATOM     10  SD AMET A   1       9.709 -13.669  -8.227  0.50 14.04           S  \\nATOM     11  SD BMET A   1       8.595 -13.375  -7.571  0.50 24.67           S  \\nATOM     12  CE AMET A   1       8.304 -12.536  -8.057  0.50 10.74           C  \\nATOM     13  CE BMET A   1      10.121 -14.299  -7.810  0.50 22.50           C  \\nATOM     14  N   ASN A   2       8.696 -17.109 -10.221  1.00 13.04           N  \\nATOM     15  CA  ASN A   2       9.444 -18.214 -10.830  1.00 11.28           C  \\nATOM     16  C   ASN A   2      10.923 -17.749 -10.851  1.00 11.13           C  \\nATOM     17  O   ASN A   2      11.262 -16.586 -10.453  1.00  8.10           O  \\nATOM     18  CB  ASN A   2       8.903 -18.572 -12.242  1.00 11.33           C  \\nATOM     19  CG  ASN A   2       8.979 -17.384 -13.226  1.00 13.64           C  \\nATOM     20  OD1 ASN A   2      10.036 -16.854 -13.455  1.00  9.75           O  \\nATOM     21  ND2 ASN A   2       7.826 -16.975 -13.804  1.00 12.13           N  \\nATOM     22  N   ILE A   3      11.803 -18.653 -11.255  1.00  9.44           N  \\nATOM     23  CA  ILE A   3      13.215 -18.370 -11.247  1.00  9.32           C  \\nATOM     24  C   ILE A   3      13.649 -17.195 -12.132  1.00  7.70           C  \\nATOM     25  O   ILE A   3      14.597 -16.489 -11.782  1.00  9.80           O  \\nATOM     26  CB  ILE A   3      14.010 -19.669 -11.653  1.00  9.07           C  \\nATOM     27  CG1 ILE A   3      15.522 -19.542 -11.375  1.00  8.89           C  \\nATOM     28  CG2 ILE A   3      13.701 -20.044 -13.127  1.00  9.00           C  \\nATOM     29  CD1 ILE A   3      16.021 -18.938 -10.040  1.00 10.83           C  \\nATOM     30  N   PHE A   4      12.976 -16.982 -13.265  1.00  8.60           N  \\nATOM     31  CA  PHE A   4      13.313 -15.827 -14.061  1.00  8.69           C  \\nATOM     32  C   PHE A   4      12.939 -14.559 -13.370  1.00  9.89           C  \\nATOM     33  O   PHE A   4      13.695 -13.598 -13.393  1.00  9.06           O  \\nATOM     34  CB  PHE A   4      12.680 -15.895 -15.481  1.00  8.95           C  \\nATOM     35  CG  PHE A   4      13.207 -17.104 -16.277  1.00 11.87           C  \\nATOM     36  CD1 PHE A   4      12.684 -18.381 -16.087  1.00 12.45           C  \\nATOM     37  CD2 PHE A   4      14.252 -16.959 -17.165  1.00 10.91           C  \\nATOM     38  CE1 PHE A   4      13.203 -19.507 -16.757  1.00 10.97           C  \\nATOM     39  CE2 PHE A   4      14.737 -18.073 -17.875  1.00 13.68           C  \\nATOM     40  CZ  PHE A   4      14.194 -19.334 -17.662  1.00 13.03           C  \\nATOM     41  N   GLU A   5      11.735 -14.528 -12.804  1.00  9.90           N  \\nATOM     42  CA  GLU A   5      11.306 -13.288 -12.184  1.00 10.93           C  \\nATOM     43  C   GLU A   5      12.211 -12.996 -10.954  1.00  9.58           C  \\nATOM     44  O   GLU A   5      12.515 -11.866 -10.632  1.00  9.92           O  \\nATOM     45  CB  GLU A   5       9.901 -13.444 -11.758  1.00  9.58           C  \\nATOM     46  CG  GLU A   5       8.948 -13.592 -12.964  1.00 15.91           C  \\nATOM     47  CD  GLU A   5       7.492 -13.611 -12.523  1.00 20.54           C  \\nATOM     48  OE1 GLU A   5       7.233 -13.319 -11.345  1.00 25.87           O  \\nATOM     49  OE2 GLU A   5       6.590 -13.885 -13.346  1.00 24.46           O  \\nATOM     50  N   MET A   6      12.558 -14.075 -10.256  1.00 10.80           N  \\nATOM     51  CA  MET A   6      13.414 -13.998  -9.100  1.00 11.41           C  \\nATOM     52  C   MET A   6      14.747 -13.416  -9.466  1.00  9.30           C  \\nATOM     53  O   MET A   6      15.191 -12.450  -8.826  1.00 12.93           O  \\nATOM     54  CB  MET A   6      13.592 -15.388  -8.488  1.00 10.41           C  \\nATOM     55  CG  MET A   6      14.245 -15.365  -7.093  1.00 12.68           C  \\nATOM     56  SD  MET A   6      14.896 -16.987  -6.864  1.00 11.50           S  \\nATOM     57  CE  MET A   6      15.143 -17.019  -5.053  1.00 14.29           C  \\nATOM     58  N   LEU A   7      15.419 -14.013 -10.450  1.00  9.60           N  \\nATOM     59  CA  LEU A   7      16.760 -13.572 -10.840  1.00  9.70           C  \\nATOM     60  C   LEU A   7      16.725 -12.198 -11.446  1.00 10.08           C  \\nATOM     61  O   LEU A   7      17.663 -11.405 -11.248  1.00 10.17           O  \\nATOM     62  CB  LEU A   7      17.456 -14.566 -11.767  1.00  9.47           C  \\nATOM     63  CG  LEU A   7      18.050 -15.641 -10.882  1.00  9.83           C  \\nATOM     64  CD1 LEU A   7      18.407 -16.854 -11.660  1.00 11.30           C  \\nATOM     65  CD2 LEU A   7      19.263 -15.036 -10.178  1.00  7.37           C  \\nATOM     66  N   ARG A   8      15.623 -11.872 -12.125  1.00 10.56           N  \\nATOM     67  CA  ARG A   8      15.486 -10.533 -12.730  1.00 10.46           C  \\nATOM     68  C   ARG A   8      15.430  -9.437 -11.619  1.00 11.05           C  \\nATOM     69  O   ARG A   8      15.999  -8.357 -11.787  1.00 11.99           O  \\nATOM     70  CB  ARG A   8      14.207 -10.427 -13.573  1.00  9.24           C  \\nATOM     71  CG  ARG A   8      13.842  -8.998 -13.962  1.00  8.95           C  \\nATOM     72  CD  ARG A   8      14.682  -8.440 -15.117  1.00 10.45           C  \\nATOM     73  NE  ARG A   8      14.315  -7.024 -15.407  1.00 17.11           N  \\nATOM     74  CZ  ARG A   8      14.510  -5.992 -14.572  1.00 17.32           C  \\nATOM     75  NH1 ARG A   8      15.075  -6.150 -13.368  1.00 19.70           N  \\nATOM     76  NH2 ARG A   8      14.103  -4.781 -14.898  1.00 21.76           N  \\nATOM     77  N   ILE A   9      14.727  -9.723 -10.513  1.00 10.05           N  \\nATOM     78  CA  ILE A   9      14.736  -8.832  -9.354  1.00 11.98           C  \\nATOM     79  C   ILE A   9      16.184  -8.699  -8.794  1.00 10.19           C  \\nATOM     80  O   ILE A   9      16.685  -7.599  -8.621  1.00 11.01           O  \\nATOM     81  CB  ILE A   9      13.745  -9.307  -8.310  1.00 11.81           C  \\nATOM     82  CG1 ILE A   9      12.295  -8.991  -8.792  1.00 11.16           C  \\nATOM     83  CG2 ILE A   9      14.127  -8.715  -6.901  1.00 13.13           C  \\nATOM     84  CD1 ILE A   9      11.180  -9.833  -8.105  1.00 11.02           C  \\nATOM     85  N   ASP A  10      16.875  -9.822  -8.643  1.00  9.37           N  \\nATOM     86  CA  ASP A  10      18.185  -9.878  -7.994  1.00 10.57           C  \\nATOM     87  C   ASP A  10      19.311  -9.308  -8.857  1.00 10.86           C  \\nATOM     88  O   ASP A  10      20.255  -8.693  -8.331  1.00 10.88           O  \\nATOM     89  CB  ASP A  10      18.506 -11.300  -7.545  1.00  8.71           C  \\nATOM     90  CG  ASP A  10      17.731 -11.697  -6.281  1.00 10.36           C  \\nATOM     91  OD1 ASP A  10      17.176 -10.813  -5.602  1.00 12.18           O  \\nATOM     92  OD2 ASP A  10      17.610 -12.911  -5.989  1.00 15.40           O  \\nATOM     93  N   GLU A  11      19.154  -9.412 -10.175  1.00 10.35           N  \\nATOM     94  CA  GLU A  11      20.297  -9.178 -11.071  1.00  9.98           C  \\nATOM     95  C   GLU A  11      20.085  -7.849 -11.752  1.00 11.17           C  \\nATOM     96  O   GLU A  11      21.027  -7.244 -12.149  1.00 10.89           O  \\nATOM     97  CB  GLU A  11      20.423 -10.284 -12.090  1.00 11.45           C  \\nATOM     98  CG  GLU A  11      20.983 -11.570 -11.540  1.00  8.72           C  \\nATOM     99  CD  GLU A  11      22.331 -11.403 -10.856  1.00 14.34           C  \\nATOM    100  OE1 GLU A  11      22.997 -10.296 -10.924  1.00 19.80           O  \\nATOM    101  OE2 GLU A  11      22.765 -12.362 -10.191  1.00 13.76           O  \\nATOM    102  N   GLY A  12      18.835  -7.395 -11.858  1.00  9.73           N  \\nATOM    103  CA  GLY A  12      18.503  -6.196 -12.686  1.00 10.14           C  \\nATOM    104  C   GLY A  12      18.558  -6.457 -14.191  1.00  9.64           C  \\nATOM    105  O   GLY A  12      18.692  -7.612 -14.632  1.00  8.39           O  \\nATOM    106  N   LEU A  13      18.315  -5.384 -14.951  1.00 10.95           N  \\nATOM    107  CA  LEU A  13      18.476  -5.410 -16.395  1.00 10.93           C  \\nATOM    108  C   LEU A  13      19.230  -4.158 -16.821  1.00 12.47           C  \\nATOM    109  O   LEU A  13      18.764  -3.037 -16.638  1.00 10.09           O  \\nATOM    110  CB  LEU A  13      17.121  -5.551 -17.094  1.00 10.84           C  \\nATOM    111  CG  LEU A  13      17.051  -5.400 -18.622  1.00 13.98           C  \\nATOM    112  CD1 LEU A  13      17.887  -6.504 -19.296  1.00 14.85           C  \\nATOM    113  CD2 LEU A  13      15.573  -5.621 -18.963  1.00 20.16           C  \\nATOM    114  N   ARG A  14      20.427  -4.347 -17.366  1.00 13.51           N  \\nATOM    115  CA  ARG A  14      21.161  -3.231 -17.947  1.00 12.55           C  \\nATOM    116  C   ARG A  14      21.624  -3.631 -19.343  1.00 13.91           C  \\nATOM    117  O   ARG A  14      22.092  -4.770 -19.558  1.00 13.51           O  \\nATOM    118  CB  ARG A  14      22.348  -2.865 -17.057  1.00 13.69           C  \\nATOM    119  CG  ARG A  14      21.881  -2.627 -15.541  1.00 10.77           C  \\nATOM    120  CD  ARG A  14      22.950  -2.031 -14.624  1.00 14.02           C  \\nATOM    121  NE  ARG A  14      23.267  -0.711 -15.097  1.00 18.61           N  \\nATOM    122  CZ  ARG A  14      24.231   0.041 -14.576  1.00 23.42           C  \\nATOM    123  NH1 ARG A  14      24.992  -0.441 -13.583  1.00 21.81           N  \\nATOM    124  NH2 ARG A  14      24.456   1.241 -15.079  1.00 24.97           N  \\nATOM    125  N   LEU A  15      21.488  -2.704 -20.276  1.00 14.21           N  \\nATOM    126  CA  LEU A  15      21.708  -3.028 -21.647  1.00 13.95           C  \\nATOM    127  C   LEU A  15      23.062  -2.639 -22.085  1.00 15.21           C  \\nATOM    128  O   LEU A  15      23.426  -3.007 -23.183  1.00 16.83           O  \\nATOM    129  CB  LEU A  15      20.647  -2.401 -22.523  1.00 14.29           C  \\nATOM    130  CG  LEU A  15      19.175  -2.813 -22.276  1.00 14.19           C  \\nATOM    131  CD1 LEU A  15      18.319  -2.230 -23.411  1.00 16.89           C  \\nATOM    132  CD2 LEU A  15      18.984  -4.289 -22.191  1.00 16.65           C  \\nATOM    133  N   LYS A  16      23.837  -1.955 -21.239  1.00 13.81           N  \\nATOM    134  CA  LYS A  16      25.207  -1.511 -21.600  1.00 14.34           C  \\nATOM    135  C   LYS A  16      26.123  -2.220 -20.641  1.00 13.58           C  \\nATOM    136  O   LYS A  16      25.731  -2.428 -19.477  1.00 15.63           O  \\nATOM    137  CB  LYS A  16      25.445  -0.003 -21.420  1.00 13.23           C  \\nATOM    138  CG  LYS A  16      24.695   0.873 -22.429  1.00 15.23           C  \\nATOM    139  CD  LYS A  16      24.562   2.348 -21.919  1.00 18.50           C  \\nATOM    140  CE  LYS A  16      24.042   3.253 -23.023  0.50 18.65           C  \\nATOM    141  NZ  LYS A  16      23.452   4.494 -22.483  0.50 21.53           N  \\nATOM    142  N   ILE A  17      27.336  -2.553 -21.085  1.00 14.54           N  \\nATOM    143  CA  ILE A  17      28.286  -3.207 -20.207  1.00 12.07           C  \\nATOM    144  C   ILE A  17      28.445  -2.430 -18.902  1.00 12.48           C  \\nATOM    145  O   ILE A  17      28.560  -1.225 -18.904  1.00 11.54           O  \\nATOM    146  CB  ILE A  17      29.634  -3.435 -20.873  1.00 12.95           C  \\nATOM    147  CG1 ILE A  17      29.493  -4.310 -22.144  1.00  8.75           C  \\nATOM    148  CG2 ILE A  17      30.696  -3.989 -19.862  1.00 12.45           C  \\nATOM    149  CD1 ILE A  17      30.848  -4.603 -22.812  1.00 12.23           C  \\nATOM    150  N   TYR A  18      28.373  -3.145 -17.790  1.00 14.39           N  \\nATOM    151  CA  TYR A  18      28.495  -2.515 -16.435  1.00 14.47           C  \\nATOM    152  C   TYR A  18      29.363  -3.471 -15.607  1.00 11.71           C  \\nATOM    153  O   TYR A  18      29.567  -4.613 -16.003  1.00 11.89           O  \\nATOM    154  CB  TYR A  18      27.118  -2.287 -15.749  1.00 13.83           C  \\nATOM    155  CG  TYR A  18      26.357  -3.552 -15.398  1.00 16.86           C  \\nATOM    156  CD1 TYR A  18      26.399  -4.107 -14.085  1.00 18.55           C  \\nATOM    157  CD2 TYR A  18      25.550  -4.229 -16.381  1.00 17.94           C  \\nATOM    158  CE1 TYR A  18      25.696  -5.338 -13.766  1.00 17.18           C  \\nATOM    159  CE2 TYR A  18      24.833  -5.419 -16.053  1.00 14.72           C  \\nATOM    160  CZ  TYR A  18      24.891  -5.954 -14.728  1.00 19.33           C  \\nATOM    161  OH  TYR A  18      24.153  -7.143 -14.446  1.00 17.43           O  \\nATOM    162  N   LYS A  19      29.830  -2.990 -14.466  1.00 10.51           N  \\nATOM    163  CA  LYS A  19      30.548  -3.762 -13.546  1.00 11.63           C  \\nATOM    164  C   LYS A  19      29.558  -4.240 -12.469  1.00 10.87           C  \\nATOM    165  O   LYS A  19      28.710  -3.454 -11.952  1.00 10.79           O  \\nATOM    166  CB  LYS A  19      31.682  -2.988 -12.948  1.00 10.53           C  \\nATOM    167  CG  LYS A  19      32.726  -2.643 -13.946  1.00 12.17           C  \\nATOM    168  CD  LYS A  19      33.877  -2.083 -13.250  1.00 13.68           C  \\nATOM    169  CE  LYS A  19      34.967  -1.539 -14.227  1.00 14.68           C  \\nATOM    170  NZ  LYS A  19      35.970  -0.819 -13.352  1.00 14.18           N  \\nATOM    171  N   ASP A  20      29.600  -5.541 -12.238  1.00 10.28           N  \\nATOM    172  CA  ASP A  20      28.755  -6.178 -11.230  1.00 10.35           C  \\nATOM    173  C   ASP A  20      29.298  -5.856  -9.825  1.00 11.13           C  \\nATOM    174  O   ASP A  20      30.226  -5.065  -9.684  1.00 13.25           O  \\nATOM    175  CB  ASP A  20      28.668  -7.714 -11.433  1.00  9.98           C  \\nATOM    176  CG  ASP A  20      29.988  -8.465 -11.129  1.00 12.88           C  \\nATOM    177  OD1 ASP A  20      30.984  -7.917 -10.654  1.00 12.47           O  \\nATOM    178  OD2 ASP A  20      30.049  -9.702 -11.403  1.00 17.43           O  \\nATOM    179  N   THR A  21      28.720  -6.477  -8.805  1.00 11.25           N  \\nATOM    180  CA ATHR A  21      29.009  -6.152  -7.390  0.50 11.50           C  \\nATOM    181  CA BTHR A  21      29.034  -6.058  -7.448  0.50 12.55           C  \\nATOM    182  C   THR A  21      30.477  -6.421  -7.079  1.00 13.05           C  \\nATOM    183  O   THR A  21      31.021  -5.897  -6.128  1.00 13.00           O  \\nATOM    184  CB ATHR A  21      28.137  -6.999  -6.443  0.50 11.96           C  \\nATOM    185  CB BTHR A  21      28.006  -6.598  -6.483  0.50 13.53           C  \\nATOM    186  OG1ATHR A  21      28.532  -8.367  -6.545  0.50  9.71           O  \\nATOM    187  OG1BTHR A  21      28.188  -5.969  -5.222  0.50 15.74           O  \\nATOM    188  CG2ATHR A  21      26.613  -6.864  -6.788  0.50  9.51           C  \\nATOM    189  CG2BTHR A  21      28.126  -8.101  -6.356  0.50 11.11           C  \\nATOM    190  N   GLU A  22      31.092  -7.317  -7.862  1.00 13.35           N  \\nATOM    191  CA  GLU A  22      32.490  -7.662  -7.724  1.00 12.75           C  \\nATOM    192  C   GLU A  22      33.430  -6.817  -8.601  1.00 12.79           C  \\nATOM    193  O   GLU A  22      34.654  -7.008  -8.550  1.00 14.56           O  \\nATOM    194  CB  GLU A  22      32.706  -9.174  -7.929  1.00 14.64           C  \\nATOM    195  CG  GLU A  22      32.057 -10.100  -6.954  1.00 15.63           C  \\nATOM    196  CD  GLU A  22      32.687  -9.982  -5.568  1.00 24.42           C  \\nATOM    197  OE1 GLU A  22      33.939  -9.752  -5.413  1.00 27.57           O  \\nATOM    198  OE2 GLU A  22      31.927 -10.082  -4.603  1.00 25.73           O  \\nATOM    199  N   GLY A  23      32.899  -5.860  -9.369  1.00 12.54           N  \\nATOM    200  CA  GLY A  23      33.714  -5.054 -10.291  1.00 12.77           C  \\nATOM    201  C   GLY A  23      33.925  -5.726 -11.631  1.00 13.27           C  \\nATOM    202  O   GLY A  23      34.746  -5.261 -12.389  1.00 12.49           O  \\nATOM    203  N   TYR A  24      33.188  -6.818 -11.934  1.00 12.52           N  \\nATOM    204  CA ATYR A  24      33.399  -7.500 -13.218  0.50 12.99           C  \\nATOM    205  CA BTYR A  24      33.342  -7.583 -13.178  0.50 13.06           C  \\nATOM    206  C   TYR A  24      32.400  -7.159 -14.255  1.00 12.20           C  \\nATOM    207  O   TYR A  24      31.233  -7.035 -13.968  1.00 12.55           O  \\nATOM    208  CB ATYR A  24      33.556  -9.021 -13.089  0.50 13.61           C  \\nATOM    209  CB BTYR A  24      33.041  -9.063 -12.949  0.50 13.86           C  \\nATOM    210  CG ATYR A  24      34.623  -9.343 -12.121  0.50 13.38           C  \\nATOM    211  CG BTYR A  24      33.927  -9.785 -11.988  0.50 13.37           C  \\nATOM    212  CD1ATYR A  24      35.916  -8.819 -12.279  0.50 11.36           C  \\nATOM    213  CD1BTYR A  24      35.285  -9.532 -11.952  0.50 17.24           C  \\nATOM    214  CD2ATYR A  24      34.349 -10.120 -11.004  0.50 14.00           C  \\nATOM    215  CD2BTYR A  24      33.402 -10.744 -11.107  0.50 15.02           C  \\nATOM    216  CE1ATYR A  24      36.918  -9.086 -11.342  0.50 12.77           C  \\nATOM    217  CE1BTYR A  24      36.106 -10.204 -11.059  0.50 16.72           C  \\nATOM    218  CE2ATYR A  24      35.317 -10.382 -10.083  0.50 15.94           C  \\nATOM    219  CE2BTYR A  24      34.209 -11.418 -10.221  0.50 15.43           C  \\nATOM    220  CZ ATYR A  24      36.598  -9.865 -10.238  0.50 14.47           C  \\nATOM    221  CZ BTYR A  24      35.565 -11.151 -10.195  0.50 16.64           C  \\nATOM    222  OH ATYR A  24      37.533 -10.179  -9.280  0.50 17.75           O  \\nATOM    223  OH BTYR A  24      36.411 -11.818  -9.312  0.50 13.96           O  \\nATOM    224  N   TYR A  25      32.932  -7.026 -15.486  1.00 12.09           N  \\nATOM    225  CA  TYR A  25      32.179  -6.584 -16.638  1.00 12.61           C  \\nATOM    226  C   TYR A  25      31.081  -7.581 -16.948  1.00 11.80           C  \\nATOM    227  O   TYR A  25      31.336  -8.785 -17.028  1.00 11.78           O  \\nATOM    228  CB  TYR A  25      33.048  -6.452 -17.840  1.00 11.99           C  \\nATOM    229  CG  TYR A  25      33.968  -5.305 -17.737  1.00 13.52           C  \\nATOM    230  CD1 TYR A  25      35.325  -5.518 -17.812  1.00 15.00           C  \\nATOM    231  CD2 TYR A  25      33.488  -4.013 -17.535  1.00 12.92           C  \\nATOM    232  CE1 TYR A  25      36.223  -4.433 -17.731  1.00 15.76           C  \\nATOM    233  CE2 TYR A  25      34.355  -2.917 -17.467  1.00 14.50           C  \\nATOM    234  CZ  TYR A  25      35.739  -3.147 -17.578  1.00 16.48           C  \\nATOM    235  OH  TYR A  25      36.629  -2.116 -17.499  1.00 18.00           O  \\nATOM    236  N   THR A  26      29.880  -7.035 -17.078  1.00 11.69           N  \\nATOM    237  CA  THR A  26      28.634  -7.821 -17.042  1.00 12.00           C  \\nATOM    238  C   THR A  26      27.677  -7.090 -17.975  1.00 11.69           C  \\nATOM    239  O   THR A  26      27.861  -5.934 -18.220  1.00 12.63           O  \\nATOM    240  CB  THR A  26      28.104  -7.933 -15.551  1.00 12.28           C  \\nATOM    241  OG1 THR A  26      29.112  -8.590 -14.733  1.00 13.67           O  \\nATOM    242  CG2 THR A  26      26.740  -8.671 -15.460  1.00 13.96           C  \\nATOM    243  N   ILE A  27      26.673  -7.754 -18.529  1.00 10.49           N  \\nATOM    244  CA  ILE A  27      25.623  -7.061 -19.275  1.00 11.85           C  \\nATOM    245  C   ILE A  27      24.289  -7.760 -19.021  1.00 10.90           C  \\nATOM    246  O   ILE A  27      24.262  -8.839 -18.484  1.00 13.57           O  \\nATOM    247  CB  ILE A  27      25.970  -6.982 -20.827  1.00  8.77           C  \\nATOM    248  CG1 ILE A  27      25.126  -5.864 -21.494  1.00  9.65           C  \\nATOM    249  CG2 ILE A  27      25.863  -8.366 -21.435  1.00 12.03           C  \\nATOM    250  CD1 ILE A  27      25.660  -5.372 -22.839  1.00 11.30           C  \\nATOM    251  N   GLY A  28      23.198  -7.134 -19.399  1.00 11.08           N  \\nATOM    252  CA  GLY A  28      21.893  -7.789 -19.451  1.00 11.75           C  \\nATOM    253  C   GLY A  28      21.405  -8.092 -18.068  1.00 11.50           C  \\nATOM    254  O   GLY A  28      21.389  -7.193 -17.197  1.00 11.34           O  \\nATOM    255  N   ILE A  29      21.008  -9.359 -17.869  1.00 11.68           N  \\nATOM    256  CA  ILE A  29      20.474  -9.822 -16.566  1.00 10.38           C  \\nATOM    257  C   ILE A  29      21.581 -10.615 -15.842  1.00 10.59           C  \\nATOM    258  O   ILE A  29      21.520 -11.830 -15.751  1.00 11.75           O  \\nATOM    259  CB  ILE A  29      19.130 -10.547 -16.693  1.00 11.65           C  \\nATOM    260  CG1 ILE A  29      18.055  -9.646 -17.356  1.00  8.43           C  \\nATOM    261  CG2 ILE A  29      18.591 -10.990 -15.328  1.00 10.08           C  \\nATOM    262  CD1 ILE A  29      16.933 -10.395 -18.113  1.00 12.83           C  \\nATOM    263  N   GLY A  30      22.601  -9.907 -15.332  1.00 10.90           N  \\nATOM    264  CA  GLY A  30      23.716 -10.556 -14.663  1.00 10.32           C  \\nATOM    265  C   GLY A  30      24.459 -11.550 -15.525  1.00 11.48           C  \\nATOM    266  O   GLY A  30      24.903 -12.643 -15.066  1.00 12.69           O  \\nATOM    267  N   HIS A  31      24.650 -11.172 -16.779  1.00  8.99           N  \\nATOM    268  CA  HIS A  31      25.436 -12.044 -17.632  1.00 10.80           C  \\nATOM    269  C   HIS A  31      26.876 -11.567 -17.520  1.00  8.81           C  \\nATOM    270  O   HIS A  31      27.255 -10.542 -18.111  1.00 10.50           O  \\nATOM    271  CB  HIS A  31      24.990 -11.990 -19.097  1.00  9.28           C  \\nATOM    272  CG  HIS A  31      25.845 -12.837 -19.965  1.00  9.54           C  \\nATOM    273  ND1 HIS A  31      25.671 -14.193 -20.067  1.00 14.49           N  \\nATOM    274  CD2 HIS A  31      26.987 -12.555 -20.634  1.00 13.34           C  \\nATOM    275  CE1 HIS A  31      26.628 -14.703 -20.827  1.00 14.65           C  \\nATOM    276  NE2 HIS A  31      27.438 -13.727 -21.177  1.00 13.40           N  \\nATOM    277  N   LEU A  32      27.674 -12.359 -16.827  1.00 10.44           N  \\nATOM    278  CA  LEU A  32      29.069 -12.061 -16.591  1.00 12.64           C  \\nATOM    279  C   LEU A  32      29.796 -12.233 -17.912  1.00 12.40           C  \\nATOM    280  O   LEU A  32      29.675 -13.272 -18.584  1.00 12.89           O  \\nATOM    281  CB  LEU A  32      29.615 -13.058 -15.554  1.00 13.09           C  \\nATOM    282  CG  LEU A  32      31.118 -12.943 -15.243  1.00 14.71           C  \\nATOM    283  CD1 LEU A  32      31.455 -11.547 -14.710  1.00 11.58           C  \\nATOM    284  CD2 LEU A  32      31.592 -14.089 -14.245  1.00 14.66           C  \\nATOM    285  N   LEU A  33      30.519 -11.216 -18.322  1.00 12.36           N  \\nATOM    286  CA  LEU A  33      31.266 -11.293 -19.602  1.00 13.55           C  \\nATOM    287  C   LEU A  33      32.696 -11.751 -19.366  1.00 15.00           C  \\nATOM    288  O   LEU A  33      33.203 -12.621 -20.102  1.00 15.58           O  \\nATOM    289  CB  LEU A  33      31.321  -9.920 -20.203  1.00 13.92           C  \\nATOM    290  CG  LEU A  33      29.961  -9.530 -20.748  1.00  9.98           C  \\nATOM    291  CD1 LEU A  33      29.967  -8.038 -21.078  1.00 11.52           C  \\nATOM    292  CD2 LEU A  33      29.599 -10.356 -22.046  1.00  6.96           C  \\nATOM    293  N   THR A  34      33.339 -11.200 -18.333  1.00 15.13           N  \\nATOM    294  CA  THR A  34      34.686 -11.561 -18.021  1.00 16.46           C  \\nATOM    295  C   THR A  34      35.082 -11.015 -16.666  1.00 17.47           C  \\nATOM    296  O   THR A  34      34.547  -9.979 -16.232  1.00 17.59           O  \\nATOM    297  CB  THR A  34      35.721 -10.977 -19.080  1.00 18.65           C  \\nATOM    298  OG1 THR A  34      37.052 -11.341 -18.700  1.00 19.78           O  \\nATOM    299  CG2 THR A  34      35.689  -9.465 -19.114  1.00 12.88           C  \\nATOM    300  N   LYS A  35      36.068 -11.674 -16.039  1.00 18.87           N  \\nATOM    301  CA  LYS A  35      36.806 -11.089 -14.902  1.00 21.97           C  \\nATOM    302  C   LYS A  35      37.974 -10.166 -15.236  1.00 23.16           C  \\nATOM    303  O   LYS A  35      38.512  -9.480 -14.335  1.00 23.53           O  \\nATOM    304  CB  LYS A  35      37.258 -12.169 -13.930  1.00 22.07           C  \\nATOM    305  CG  LYS A  35      36.033 -12.908 -13.404  1.00 22.54           C  \\nATOM    306  CD  LYS A  35      36.355 -13.859 -12.265  1.00 20.80           C  \\nATOM    307  CE  LYS A  35      35.035 -14.572 -11.907  1.00 28.15           C  \\nATOM    308  NZ  LYS A  35      35.218 -15.611 -10.823  1.00 29.37           N  \\nATOM    309  N   SER A  36      38.357 -10.125 -16.505  1.00 23.27           N  \\nATOM    310  CA  SER A  36      39.391  -9.206 -16.956  1.00 22.49           C  \\nATOM    311  C   SER A  36      39.054  -7.756 -16.718  1.00 22.79           C  \\nATOM    312  O   SER A  36      37.917  -7.313 -16.954  1.00 20.74           O  \\nATOM    313  CB  SER A  36      39.643  -9.383 -18.454  1.00 23.05           C  \\nATOM    314  OG  SER A  36      40.470  -8.323 -18.929  1.00 21.13           O  \\nATOM    315  N   PRO A  37      40.044  -6.993 -16.251  1.00 23.64           N  \\nATOM    316  CA  PRO A  37      39.856  -5.563 -16.100  1.00 23.78           C  \\nATOM    317  C   PRO A  37      39.896  -4.829 -17.439  1.00 24.01           C  \\nATOM    318  O   PRO A  37      39.743  -3.621 -17.474  1.00 23.95           O  \\nATOM    319  CB  PRO A  37      41.054  -5.135 -15.238  1.00 24.98           C  \\nATOM    320  CG  PRO A  37      42.145  -6.158 -15.541  1.00 24.78           C  \\nATOM    321  CD  PRO A  37      41.366  -7.465 -15.809  1.00 24.30           C  \\nATOM    322  N   ASP A  38      40.068  -5.565 -18.522  1.00 23.55           N  \\nATOM    323  CA  ASP A  38      40.176  -4.981 -19.861  1.00 23.61           C  \\nATOM    324  C   ASP A  38      38.763  -4.867 -20.435  1.00 22.10           C  \\nATOM    325  O   ASP A  38      38.113  -5.896 -20.726  1.00 23.06           O  \\nATOM    326  CB  ASP A  38      40.984  -5.939 -20.711  1.00 23.90           C  \\nATOM    327  CG  ASP A  38      41.359  -5.383 -22.079  1.00 29.00           C  \\nATOM    328  OD1 ASP A  38      40.917  -4.290 -22.515  1.00 31.63           O  \\nATOM    329  OD2 ASP A  38      42.140  -6.103 -22.744  0.50 31.87           O  \\nATOM    330  N   LEU A  39      38.291  -3.640 -20.593  1.00 20.06           N  \\nATOM    331  CA  LEU A  39      37.000  -3.399 -21.170  1.00 17.93           C  \\nATOM    332  C   LEU A  39      36.922  -4.016 -22.574  1.00 17.00           C  \\nATOM    333  O   LEU A  39      35.903  -4.585 -22.967  1.00 14.52           O  \\nATOM    334  CB  LEU A  39      36.636  -1.933 -21.144  1.00 19.75           C  \\nATOM    335  CG  LEU A  39      35.242  -1.577 -21.762  1.00 19.08           C  \\nATOM    336  CD1 LEU A  39      33.981  -2.226 -21.083  1.00 15.17           C  \\nATOM    337  CD2 LEU A  39      35.178  -0.079 -21.883  1.00 17.63           C  \\nATOM    338  N   ASN A  40      38.013  -3.974 -23.313  1.00 15.29           N  \\nATOM    339  CA  ASN A  40      37.986  -4.574 -24.624  1.00 16.57           C  \\nATOM    340  C   ASN A  40      37.790  -6.091 -24.605  1.00 15.17           C  \\nATOM    341  O   ASN A  40      37.255  -6.653 -25.553  1.00 15.96           O  \\nATOM    342  CB  ASN A  40      39.272  -4.248 -25.372  1.00 19.04           C  \\nATOM    343  CG  ASN A  40      39.309  -2.805 -25.835  1.00 24.09           C  \\nATOM    344  OD1 ASN A  40      38.287  -2.209 -26.268  1.00 27.52           O  \\nATOM    345  ND2 ASN A  40      40.500  -2.211 -25.714  1.00 29.99           N  \\nATOM    346  N   ALA A  41      38.321  -6.754 -23.585  1.00 15.24           N  \\nATOM    347  CA  ALA A  41      38.222  -8.195 -23.467  1.00 15.24           C  \\nATOM    348  C   ALA A  41      36.757  -8.490 -23.200  1.00 15.28           C  \\nATOM    349  O   ALA A  41      36.235  -9.509 -23.713  1.00 16.99           O  \\nATOM    350  CB  ALA A  41      39.085  -8.733 -22.392  1.00 13.34           C  \\nATOM    351  N   ALA A  42      36.085  -7.617 -22.421  1.00 15.41           N  \\nATOM    352  CA  ALA A  42      34.615  -7.764 -22.207  1.00 13.34           C  \\nATOM    353  C   ALA A  42      33.800  -7.533 -23.458  1.00 14.85           C  \\nATOM    354  O   ALA A  42      32.802  -8.239 -23.737  1.00 15.53           O  \\nATOM    355  CB  ALA A  42      34.111  -6.888 -21.007  1.00 14.75           C  \\nATOM    356  N   LYS A  43      34.207  -6.541 -24.235  1.00 14.45           N  \\nATOM    357  CA  LYS A  43      33.554  -6.246 -25.485  1.00 13.01           C  \\nATOM    358  C   LYS A  43      33.731  -7.366 -26.446  1.00 11.58           C  \\nATOM    359  O   LYS A  43      32.795  -7.672 -27.135  1.00 13.80           O  \\nATOM    360  CB  LYS A  43      34.002  -4.925 -26.119  1.00 13.83           C  \\nATOM    361  CG  LYS A  43      33.566  -3.712 -25.306  1.00 18.49           C  \\nATOM    362  CD  LYS A  43      34.132  -2.436 -25.871  1.00 21.84           C  \\nATOM    363  CE  LYS A  43      33.394  -1.273 -25.232  1.00 26.35           C  \\nATOM    364  NZ  LYS A  43      33.578  -0.015 -25.966  1.00 30.22           N  \\nATOM    365  N   SER A  44      34.896  -8.006 -26.487  1.00 11.60           N  \\nATOM    366  CA  SER A  44      35.087  -9.174 -27.387  1.00 12.83           C  \\nATOM    367  C   SER A  44      34.145 -10.342 -26.941  1.00 13.44           C  \\nATOM    368  O   SER A  44      33.436 -10.996 -27.768  1.00 13.24           O  \\nATOM    369  CB  SER A  44      36.594  -9.526 -27.412  1.00 14.76           C  \\nATOM    370  OG  SER A  44      36.850 -10.723 -28.102  1.00 18.81           O  \\nATOM    371  N   GLU A  45      34.089 -10.602 -25.629  1.00 13.03           N  \\nATOM    372  CA  GLU A  45      33.200 -11.666 -25.058  1.00 12.59           C  \\nATOM    373  C   GLU A  45      31.750 -11.385 -25.361  1.00 12.07           C  \\nATOM    374  O   GLU A  45      31.017 -12.296 -25.676  1.00 13.76           O  \\nATOM    375  CB  GLU A  45      33.334 -11.748 -23.555  1.00 10.62           C  \\nATOM    376  CG  GLU A  45      34.647 -12.347 -23.128  1.00 12.96           C  \\nATOM    377  CD  GLU A  45      34.855 -13.718 -23.805  1.00 15.13           C  \\nATOM    378  OE1 GLU A  45      34.075 -14.665 -23.575  1.00 13.31           O  \\nATOM    379  OE2 GLU A  45      35.826 -13.847 -24.550  1.00 17.67           O  \\nATOM    380  N   LEU A  46      31.316 -10.121 -25.250  1.00 11.28           N  \\nATOM    381  CA  LEU A  46      29.963  -9.716 -25.595  1.00 10.57           C  \\nATOM    382  C   LEU A  46      29.645 -10.066 -27.044  1.00 11.44           C  \\nATOM    383  O   LEU A  46      28.620 -10.666 -27.334  1.00 12.45           O  \\nATOM    384  CB  LEU A  46      29.680  -8.195 -25.388  1.00  7.82           C  \\nATOM    385  CG  LEU A  46      28.261  -7.700 -25.710  1.00  8.57           C  \\nATOM    386  CD1 LEU A  46      27.223  -8.416 -24.846  1.00 11.19           C  \\nATOM    387  CD2 LEU A  46      28.126  -6.246 -25.455  1.00 10.01           C  \\nATOM    388  N   ASP A  47      30.509  -9.645 -27.950  1.00 12.06           N  \\nATOM    389  CA  ASP A  47      30.287  -9.869 -29.345  1.00 11.19           C  \\nATOM    390  C   ASP A  47      30.254 -11.369 -29.653  1.00 11.07           C  \\nATOM    391  O   ASP A  47      29.487 -11.789 -30.501  1.00 10.42           O  \\nATOM    392  CB  ASP A  47      31.423  -9.217 -30.093  1.00 10.99           C  \\nATOM    393  CG  ASP A  47      31.363  -7.695 -30.024  1.00 12.43           C  \\nATOM    394  OD1 ASP A  47      30.355  -7.081 -29.552  1.00 10.46           O  \\nATOM    395  OD2 ASP A  47      32.309  -7.121 -30.573  1.00 18.98           O  \\nATOM    396  N   LYS A  48      31.150 -12.145 -29.021  1.00 10.81           N  \\nATOM    397  CA  LYS A  48      31.160 -13.618 -29.170  1.00 10.31           C  \\nATOM    398  C   LYS A  48      29.782 -14.205 -28.710  1.00  9.51           C  \\nATOM    399  O   LYS A  48      29.201 -15.075 -29.374  1.00 10.98           O  \\nATOM    400  CB  LYS A  48      32.335 -14.214 -28.396  1.00  8.87           C  \\nATOM    401  CG  LYS A  48      32.462 -15.715 -28.570  1.00  9.35           C  \\nATOM    402  CD  LYS A  48      33.818 -16.315 -28.181  1.00  8.34           C  \\nATOM    403  CE  LYS A  48      34.396 -15.833 -26.876  1.00  9.68           C  \\nATOM    404  NZ  LYS A  48      33.695 -16.293 -25.719  1.00 11.58           N  \\nATOM    405  N   ALA A  49      29.245 -13.662 -27.615  1.00 10.87           N  \\nATOM    406  CA  ALA A  49      28.052 -14.170 -26.929  1.00 12.51           C  \\nATOM    407  C   ALA A  49      26.820 -13.908 -27.790  1.00 12.83           C  \\nATOM    408  O   ALA A  49      25.892 -14.760 -27.952  1.00 11.18           O  \\nATOM    409  CB  ALA A  49      27.927 -13.423 -25.553  1.00 13.07           C  \\nATOM    410  N   ILE A  50      26.842 -12.746 -28.406  1.00 12.15           N  \\nATOM    411  CA  ILE A  50      25.673 -12.274 -29.151  1.00 12.61           C  \\nATOM    412  C   ILE A  50      25.735 -12.652 -30.633  1.00 11.87           C  \\nATOM    413  O   ILE A  50      24.695 -12.767 -31.255  1.00 12.43           O  \\nATOM    414  CB  ILE A  50      25.472 -10.730 -29.010  1.00 10.16           C  \\nATOM    415  CG1 ILE A  50      25.282 -10.393 -27.508  1.00 14.77           C  \\nATOM    416  CG2 ILE A  50      24.281 -10.260 -29.866  1.00 11.98           C  \\nATOM    417  CD1 ILE A  50      24.049 -10.949 -26.859  1.00 14.13           C  \\nATOM    418  N   GLY A  51      26.937 -12.913 -31.144  1.00 13.85           N  \\nATOM    419  CA  GLY A  51      27.113 -13.231 -32.576  1.00 14.53           C  \\nATOM    420  C   GLY A  51      27.105 -11.986 -33.492  1.00 17.21           C  \\nATOM    421  O   GLY A  51      26.856 -12.081 -34.685  1.00 17.73           O  \\nATOM    422  N   ARG A  52      27.351 -10.806 -32.950  1.00 16.02           N  \\nATOM    423  CA  ARG A  52      27.364  -9.594 -33.759  1.00 16.50           C  \\nATOM    424  C   ARG A  52      28.271  -8.634 -33.015  1.00 14.92           C  \\nATOM    425  O   ARG A  52      28.613  -8.905 -31.871  1.00 15.80           O  \\nATOM    426  CB  ARG A  52      25.933  -9.028 -34.021  1.00 15.77           C  \\nATOM    427  CG  ARG A  52      25.246  -8.424 -32.779  1.00 17.56           C  \\nATOM    428  CD  ARG A  52      23.915  -7.712 -33.120  1.00 20.09           C  \\nATOM    429  NE  ARG A  52      23.293  -7.136 -31.928  1.00 20.79           N  \\nATOM    430  CZ  ARG A  52      23.658  -6.002 -31.341  1.00 21.18           C  \\nATOM    431  NH1 ARG A  52      24.597  -5.250 -31.904  1.00 25.60           N  \\nATOM    432  NH2 ARG A  52      23.006  -5.576 -30.243  1.00 23.53           N  \\nATOM    433  N   ASN A  53      28.662  -7.545 -33.683  1.00 14.53           N  \\nATOM    434  CA  ASN A  53      29.520  -6.494 -33.171  1.00 15.36           C  \\nATOM    435  C   ASN A  53      28.632  -5.561 -32.350  1.00 15.47           C  \\nATOM    436  O   ASN A  53      27.881  -4.804 -32.906  1.00 13.54           O  \\nATOM    437  CB  ASN A  53      30.083  -5.698 -34.363  1.00 15.64           C  \\nATOM    438  CG  ASN A  53      31.367  -6.294 -34.930  0.50 16.35           C  \\nATOM    439  OD1 ASN A  53      32.043  -7.087 -34.292  0.50 17.84           O  \\nATOM    440  ND2 ASN A  53      31.703  -5.901 -36.141  0.50 14.99           N  \\nATOM    441  N   CYS A  54      28.636  -5.674 -31.027  1.00 15.19           N  \\nATOM    442  CA  CYS A  54      27.590  -4.959 -30.253  1.00 15.66           C  \\nATOM    443  C   CYS A  54      28.035  -3.621 -29.806  1.00 15.84           C  \\nATOM    444  O   CYS A  54      27.199  -2.775 -29.399  1.00 18.75           O  \\nATOM    445  CB  CYS A  54      27.165  -5.741 -29.019  1.00 14.40           C  \\nATOM    446  SG  CYS A  54      26.498  -7.306 -29.460  1.00 17.76           S  \\nATOM    447  N   ASN A  55      29.345  -3.411 -29.844  1.00 16.88           N  \\nATOM    448  CA  ASN A  55      29.936  -2.166 -29.332  1.00 17.33           C  \\nATOM    449  C   ASN A  55      29.426  -1.846 -27.898  1.00 17.29           C  \\nATOM    450  O   ASN A  55      29.010  -0.715 -27.600  1.00 18.40           O  \\nATOM    451  CB  ASN A  55      29.776  -1.019 -30.373  0.50 17.07           C  \\nATOM    452  CG  ASN A  55      30.752  -1.170 -31.559  0.50 16.33           C  \\nATOM    453  OD1 ASN A  55      30.405  -1.679 -32.645  0.50 15.28           O  \\nATOM    454  ND2 ASN A  55      32.004  -0.737 -31.339  0.50 17.57           N  \\nATOM    455  N   GLY A  56      29.441  -2.884 -27.041  1.00 17.17           N  \\nATOM    456  CA  GLY A  56      29.107  -2.757 -25.606  1.00 15.09           C  \\nATOM    457  C   GLY A  56      27.651  -2.511 -25.272  1.00 13.62           C  \\nATOM    458  O   GLY A  56      27.334  -2.204 -24.136  1.00 13.57           O  \\nATOM    459  N   VAL A  57      26.748  -2.702 -26.236  1.00 13.31           N  \\nATOM    460  CA  VAL A  57      25.346  -2.490 -26.026  1.00 13.69           C  \\nATOM    461  C   VAL A  57      24.535  -3.599 -26.695  1.00 12.83           C  \\nATOM    462  O   VAL A  57      24.850  -4.088 -27.791  1.00 12.42           O  \\nATOM    463  CB  VAL A  57      24.859  -1.101 -26.538  1.00 15.47           C  \\nATOM    464  CG1 VAL A  57      23.410  -0.916 -26.178  1.00 13.56           C  \\nATOM    465  CG2 VAL A  57      25.705   0.016 -25.893  1.00 14.18           C  \\nATOM    466  N   ILE A  58      23.511  -4.022 -25.982  1.00 13.06           N  \\nATOM    467  CA  ILE A  58      22.602  -5.022 -26.493  1.00 12.11           C  \\nATOM    468  C   ILE A  58      21.164  -4.584 -26.292  1.00 12.45           C  \\nATOM    469  O   ILE A  58      20.885  -3.604 -25.568  1.00 13.66           O  \\nATOM    470  CB  ILE A  58      22.798  -6.421 -25.791  1.00 10.33           C  \\nATOM    471  CG1 ILE A  58      22.427  -6.352 -24.291  1.00 12.49           C  \\nATOM    472  CG2 ILE A  58      24.250  -7.024 -26.093  1.00 12.03           C  \\nATOM    473  CD1 ILE A  58      22.387  -7.785 -23.587  1.00  9.93           C  \\nATOM    474  N   THR A  59      20.253  -5.328 -26.935  1.00 12.65           N  \\nATOM    475  CA  THR A  59      18.812  -5.151 -26.769  1.00 13.78           C  \\nATOM    476  C   THR A  59      18.222  -5.960 -25.596  1.00 14.47           C  \\nATOM    477  O   THR A  59      18.852  -6.901 -25.069  1.00 12.93           O  \\nATOM    478  CB  THR A  59      18.073  -5.512 -28.073  1.00 15.34           C  \\nATOM    479  OG1 THR A  59      18.130  -6.940 -28.269  1.00 14.31           O  \\nATOM    480  CG2 THR A  59      18.685  -4.675 -29.284  1.00 14.99           C  \\nATOM    481  N   LYS A  60      16.981  -5.603 -25.230  1.00 15.15           N  \\nATOM    482  CA  LYS A  60      16.272  -6.347 -24.200  1.00 15.55           C  \\nATOM    483  C   LYS A  60      16.150  -7.794 -24.630  1.00 15.96           C  \\nATOM    484  O   LYS A  60      16.365  -8.714 -23.817  1.00 15.57           O  \\nATOM    485  CB  LYS A  60      14.914  -5.735 -23.901  1.00 15.63           C  \\nATOM    486  CG  LYS A  60      14.212  -6.387 -22.697  1.00 14.56           C  \\nATOM    487  CD  LYS A  60      13.071  -5.601 -22.181  1.00 16.36           C  \\nATOM    488  CE  LYS A  60      12.125  -6.493 -21.386  1.00 21.55           C  \\nATOM    489  NZ  LYS A  60      10.958  -5.776 -20.764  0.50 24.65           N  \\nATOM    490  N   ASP A  61      15.803  -8.011 -25.912  1.00 16.94           N  \\nATOM    491  CA  ASP A  61      15.634  -9.389 -26.387  1.00 15.82           C  \\nATOM    492  C   ASP A  61      16.949 -10.149 -26.254  1.00 13.72           C  \\nATOM    493  O   ASP A  61      16.957 -11.323 -25.851  1.00 12.79           O  \\nATOM    494  CB  ASP A  61      15.230  -9.414 -27.845  1.00 16.67           C  \\nATOM    495  CG  ASP A  61      13.789  -9.038 -28.059  1.00 22.04           C  \\nATOM    496  OD1 ASP A  61      13.035  -8.672 -27.114  1.00 24.22           O  \\nATOM    497  OD2 ASP A  61      13.389  -9.094 -29.238  1.00 29.10           O  \\nATOM    498  N   GLU A  62      18.050  -9.502 -26.637  1.00 12.95           N  \\nATOM    499  CA  GLU A  62      19.371 -10.153 -26.539  1.00 13.13           C  \\nATOM    500  C   GLU A  62      19.666 -10.403 -25.071  1.00 11.06           C  \\nATOM    501  O   GLU A  62      20.270 -11.425 -24.758  1.00 10.10           O  \\nATOM    502  CB  GLU A  62      20.457  -9.318 -27.156  1.00 13.17           C  \\nATOM    503  CG  GLU A  62      20.188  -9.063 -28.645  1.00 16.48           C  \\nATOM    504  CD  GLU A  62      21.138  -8.105 -29.365  1.00 16.24           C  \\nATOM    505  OE1 GLU A  62      21.583  -7.055 -28.815  1.00 15.48           O  \\nATOM    506  OE2 GLU A  62      21.446  -8.420 -30.546  1.00 15.92           O  \\nATOM    507  N   ALA A  63      19.276  -9.464 -24.174  1.00 10.00           N  \\nATOM    508  CA  ALA A  63      19.507  -9.712 -22.738  1.00  8.92           C  \\nATOM    509  C   ALA A  63      18.773 -10.963 -22.260  1.00 10.79           C  \\nATOM    510  O   ALA A  63      19.393 -11.814 -21.590  1.00 11.01           O  \\nATOM    511  CB  ALA A  63      19.137  -8.549 -21.890  1.00 11.14           C  \\nATOM    512  N   GLU A  64      17.476 -11.074 -22.613  1.00 10.55           N  \\nATOM    513  CA  GLU A  64      16.654 -12.183 -22.194  1.00  9.59           C  \\nATOM    514  C   GLU A  64      17.154 -13.459 -22.831  1.00 10.50           C  \\nATOM    515  O   GLU A  64      17.118 -14.491 -22.222  1.00 10.93           O  \\nATOM    516  CB  GLU A  64      15.227 -11.879 -22.514  1.00 11.46           C  \\nATOM    517  CG  GLU A  64      14.650 -10.758 -21.559  1.00 12.95           C  \\nATOM    518  CD  GLU A  64      13.361 -10.129 -22.108  1.00 19.94           C  \\nATOM    519  OE1 GLU A  64      13.046 -10.395 -23.301  1.00 21.72           O  \\nATOM    520  OE2 GLU A  64      12.700  -9.325 -21.383  1.00 21.66           O  \\nATOM    521  N   LYS A  65      17.681 -13.388 -24.050  1.00  9.94           N  \\nATOM    522  CA  LYS A  65      18.256 -14.589 -24.614  1.00 10.27           C  \\nATOM    523  C   LYS A  65      19.452 -15.142 -23.818  1.00 10.44           C  \\nATOM    524  O   LYS A  65      19.510 -16.322 -23.500  1.00  8.28           O  \\nATOM    525  CB  LYS A  65      18.621 -14.364 -26.077  1.00 10.94           C  \\nATOM    526  CG  LYS A  65      19.120 -15.640 -26.661  1.00  9.62           C  \\nATOM    527  CD  LYS A  65      19.273 -15.438 -28.137  1.00 18.05           C  \\nATOM    528  CE  LYS A  65      19.717 -16.760 -28.669  1.00 20.75           C  \\nATOM    529  NZ  LYS A  65      19.257 -16.995 -30.009  1.00 22.44           N  \\nATOM    530  N   LEU A  66      20.416 -14.292 -23.518  1.00 11.27           N  \\nATOM    531  CA  LEU A  66      21.577 -14.664 -22.689  1.00 10.98           C  \\nATOM    532  C   LEU A  66      21.059 -15.219 -21.339  1.00 10.20           C  \\nATOM    533  O   LEU A  66      21.603 -16.197 -20.770  1.00  8.48           O  \\nATOM    534  CB  LEU A  66      22.431 -13.396 -22.435  1.00 11.43           C  \\nATOM    535  CG  LEU A  66      23.246 -12.880 -23.691  1.00 10.72           C  \\nATOM    536  CD1 LEU A  66      23.979 -11.568 -23.276  1.00 15.89           C  \\nATOM    537  CD2 LEU A  66      24.275 -13.877 -24.098  1.00 17.06           C  \\nATOM    538  N   PHE A  67      20.045 -14.540 -20.815  1.00 10.45           N  \\nATOM    539  CA  PHE A  67      19.483 -14.876 -19.493  1.00 11.64           C  \\nATOM    540  C   PHE A  67      18.889 -16.290 -19.535  1.00 11.66           C  \\nATOM    541  O   PHE A  67      19.155 -17.127 -18.662  1.00 12.35           O  \\nATOM    542  CB  PHE A  67      18.431 -13.838 -19.108  1.00 10.74           C  \\nATOM    543  CG  PHE A  67      17.788 -14.043 -17.704  1.00 13.29           C  \\nATOM    544  CD1 PHE A  67      18.546 -14.451 -16.611  1.00 11.59           C  \\nATOM    545  CD2 PHE A  67      16.417 -13.717 -17.508  1.00 14.66           C  \\nATOM    546  CE1 PHE A  67      18.012 -14.551 -15.339  1.00 13.70           C  \\nATOM    547  CE2 PHE A  67      15.844 -13.829 -16.240  1.00  8.46           C  \\nATOM    548  CZ  PHE A  67      16.641 -14.258 -15.165  1.00 14.46           C  \\nATOM    549  N   ASN A  68      18.036 -16.548 -20.516  1.00 11.62           N  \\nATOM    550  CA AASN A  68      17.541 -17.893 -20.780  0.50 11.70           C  \\nATOM    551  CA BASN A  68      17.543 -17.904 -20.656  0.50 11.62           C  \\nATOM    552  C   ASN A  68      18.665 -18.909 -20.772  1.00 11.78           C  \\nATOM    553  O   ASN A  68      18.594 -19.936 -20.142  1.00 13.01           O  \\nATOM    554  CB AASN A  68      16.820 -17.901 -22.136  0.50 11.53           C  \\nATOM    555  CB BASN A  68      16.563 -18.019 -21.810  0.50 11.63           C  \\nATOM    556  CG AASN A  68      15.372 -17.443 -22.038  0.50 12.13           C  \\nATOM    557  CG BASN A  68      15.825 -19.342 -21.829  0.50 11.61           C  \\nATOM    558  OD1AASN A  68      14.742 -17.598 -20.989  0.50 13.94           O  \\nATOM    559  OD1BASN A  68      16.124 -20.285 -21.087  0.50 13.56           O  \\nATOM    560  ND2AASN A  68      14.830 -16.893 -23.139  0.50  8.69           N  \\nATOM    561  ND2BASN A  68      14.820 -19.409 -22.683  0.50 15.20           N  \\nATOM    562  N   GLN A  69      19.727 -18.630 -21.556  1.00 11.81           N  \\nATOM    563  CA  GLN A  69      20.846 -19.553 -21.615  1.00 11.54           C  \\nATOM    564  C   GLN A  69      21.544 -19.724 -20.245  1.00 12.95           C  \\nATOM    565  O   GLN A  69      21.915 -20.861 -19.870  1.00 12.00           O  \\nATOM    566  CB  GLN A  69      21.893 -19.068 -22.615  1.00 12.40           C  \\nATOM    567  CG  GLN A  69      21.358 -19.052 -23.987  1.00  9.65           C  \\nATOM    568  CD  GLN A  69      22.297 -18.543 -25.025  1.00 15.93           C  \\nATOM    569  OE1 GLN A  69      22.004 -18.771 -26.199  1.00 14.26           O  \\nATOM    570  NE2 GLN A  69      23.447 -17.857 -24.639  1.00  7.52           N  \\nATOM    571  N   ASP A  70      21.682 -18.609 -19.520  1.00 12.06           N  \\nATOM    572  CA  ASP A  70      22.362 -18.581 -18.205  1.00 13.01           C  \\nATOM    573  C   ASP A  70      21.603 -19.373 -17.141  1.00 13.30           C  \\nATOM    574  O   ASP A  70      22.218 -20.158 -16.423  1.00 13.91           O  \\nATOM    575  CB  ASP A  70      22.656 -17.133 -17.741  1.00 12.93           C  \\nATOM    576  CG  ASP A  70      23.751 -16.485 -18.601  1.00 12.85           C  \\nATOM    577  OD1 ASP A  70      24.358 -17.190 -19.432  1.00 10.38           O  \\nATOM    578  OD2 ASP A  70      23.960 -15.296 -18.478  1.00 15.54           O  \\nATOM    579  N   VAL A  71      20.282 -19.221 -17.121  1.00 13.81           N  \\nATOM    580  CA  VAL A  71      19.446 -19.962 -16.161  1.00 14.32           C  \\nATOM    581  C   VAL A  71      19.507 -21.448 -16.479  1.00 13.97           C  \\nATOM    582  O   VAL A  71      19.792 -22.277 -15.617  1.00 13.66           O  \\nATOM    583  CB  VAL A  71      18.053 -19.421 -16.128  1.00 14.69           C  \\nATOM    584  CG1 VAL A  71      17.122 -20.311 -15.207  1.00 17.08           C  \\nATOM    585  CG2 VAL A  71      18.085 -17.953 -15.713  1.00 13.00           C  \\nATOM    586  N   ASP A  72      19.282 -21.772 -17.752  1.00 13.09           N  \\nATOM    587  CA AASP A  72      19.329 -23.119 -18.221  0.50 12.65           C  \\nATOM    588  CA BASP A  72      19.320 -23.135 -18.192  0.25 12.18           C  \\nATOM    589  C   ASP A  72      20.672 -23.728 -17.839  1.00 13.46           C  \\nATOM    590  O   ASP A  72      20.747 -24.804 -17.204  1.00 13.48           O  \\nATOM    591  CB AASP A  72      19.131 -23.105 -19.725  0.50 12.21           C  \\nATOM    592  CB BASP A  72      19.066 -23.195 -19.680  0.50 10.51           C  \\nATOM    593  CG AASP A  72      18.850 -24.456 -20.279  0.50 15.38           C  \\nATOM    594  CG BASP A  72      18.935 -24.600 -20.185  0.25  9.93           C  \\nATOM    595  OD1AASP A  72      18.703 -25.384 -19.461  0.50 14.46           O  \\nATOM    596  OD1BASP A  72      17.767 -25.017 -20.398  0.25 10.93           O  \\nATOM    597  OD2AASP A  72      18.757 -24.584 -21.537  0.50 17.74           O  \\nATOM    598  OD2BASP A  72      19.987 -25.267 -20.383  0.25  2.00           O  \\nATOM    599  N   ALA A  73      21.753 -23.034 -18.193  1.00 14.64           N  \\nATOM    600  CA  ALA A  73      23.066 -23.541 -17.803  1.00 16.63           C  \\nATOM    601  C   ALA A  73      23.235 -23.723 -16.280  1.00 15.99           C  \\nATOM    602  O   ALA A  73      23.863 -24.709 -15.861  1.00 16.82           O  \\nATOM    603  CB  ALA A  73      24.160 -22.645 -18.298  1.00 18.31           C  \\nATOM    604  N   ALA A  74      22.722 -22.800 -15.474  1.00 15.03           N  \\nATOM    605  CA  ALA A  74      22.859 -22.917 -13.996  1.00 14.63           C  \\nATOM    606  C   ALA A  74      22.242 -24.300 -13.543  1.00 14.71           C  \\nATOM    607  O   ALA A  74      22.849 -25.018 -12.790  1.00 15.11           O  \\nATOM    608  CB  ALA A  74      22.249 -21.719 -13.277  1.00 12.58           C  \\nATOM    609  N   VAL A  75      21.082 -24.664 -14.104  1.00 14.47           N  \\nATOM    610  CA  VAL A  75      20.326 -25.869 -13.679  1.00 15.31           C  \\nATOM    611  C   VAL A  75      21.103 -27.088 -14.098  1.00 16.89           C  \\nATOM    612  O   VAL A  75      21.338 -28.031 -13.300  1.00 16.13           O  \\nATOM    613  CB  VAL A  75      18.931 -25.940 -14.349  1.00 15.57           C  \\nATOM    614  CG1 VAL A  75      18.206 -27.287 -13.927  1.00 12.54           C  \\nATOM    615  CG2 VAL A  75      18.149 -24.774 -13.967  1.00 13.69           C  \\nATOM    616  N   ARG A  76      21.502 -27.052 -15.375  1.00 17.86           N  \\nATOM    617  CA  ARG A  76      22.166 -28.157 -15.972  1.00 18.45           C  \\nATOM    618  C   ARG A  76      23.495 -28.366 -15.231  1.00 18.97           C  \\nATOM    619  O   ARG A  76      23.886 -29.522 -15.042  1.00 18.42           O  \\nATOM    620  CB  ARG A  76      22.347 -27.987 -17.489  1.00 18.37           C  \\nATOM    621  CG  ARG A  76      21.030 -28.084 -18.280  1.00 21.02           C  \\nATOM    622  CD  ARG A  76      20.234 -29.467 -18.062  1.00 23.30           C  \\nATOM    623  NE  ARG A  76      20.859 -30.673 -18.667  1.00 24.78           N  \\nATOM    624  CZ  ARG A  76      20.870 -30.966 -19.981  1.00 24.82           C  \\nATOM    625  NH1 ARG A  76      20.309 -30.137 -20.881  1.00 23.72           N  \\nATOM    626  NH2 ARG A  76      21.417 -32.123 -20.383  1.00 21.50           N  \\nATOM    627  N   GLY A  77      24.123 -27.266 -14.783  1.00 17.52           N  \\nATOM    628  CA  GLY A  77      25.342 -27.371 -13.980  1.00 18.05           C  \\nATOM    629  C   GLY A  77      25.118 -28.051 -12.621  1.00 18.04           C  \\nATOM    630  O   GLY A  77      25.866 -28.978 -12.226  1.00 18.57           O  \\nATOM    631  N   ILE A  78      24.052 -27.641 -11.954  1.00 14.98           N  \\nATOM    632  CA  ILE A  78      23.681 -28.257 -10.693  1.00 15.97           C  \\nATOM    633  C   ILE A  78      23.470 -29.793 -10.905  1.00 16.71           C  \\nATOM    634  O   ILE A  78      24.019 -30.638 -10.151  1.00 16.13           O  \\nATOM    635  CB  ILE A  78      22.387 -27.607 -10.169  1.00 15.31           C  \\nATOM    636  CG1 ILE A  78      22.703 -26.258  -9.543  1.00 13.49           C  \\nATOM    637  CG2 ILE A  78      21.706 -28.544  -9.127  1.00 13.94           C  \\nATOM    638  CD1 ILE A  78      21.429 -25.340  -9.385  1.00 12.53           C  \\nATOM    639  N   LEU A  79      22.708 -30.137 -11.956  1.00 17.70           N  \\nATOM    640  CA  LEU A  79      22.342 -31.549 -12.249  1.00 18.29           C  \\nATOM    641  C   LEU A  79      23.567 -32.381 -12.593  1.00 19.08           C  \\nATOM    642  O   LEU A  79      23.559 -33.554 -12.312  1.00 20.14           O  \\nATOM    643  CB  LEU A  79      21.271 -31.636 -13.343  1.00 16.98           C  \\nATOM    644  CG  LEU A  79      19.942 -30.927 -13.080  1.00 18.32           C  \\nATOM    645  CD1 LEU A  79      18.969 -31.311 -14.196  1.00 20.14           C  \\nATOM    646  CD2 LEU A  79      19.316 -31.280 -11.687  1.00 14.70           C  \\nATOM    647  N   ARG A  80      24.639 -31.761 -13.106  1.00 20.00           N  \\nATOM    648  CA AARG A  80      25.922 -32.396 -13.482  0.50 21.00           C  \\nATOM    649  CA BARG A  80      25.851 -32.517 -13.445  0.50 21.04           C  \\nATOM    650  C   ARG A  80      26.840 -32.580 -12.270  1.00 21.27           C  \\nATOM    651  O   ARG A  80      27.798 -33.332 -12.294  1.00 21.73           O  \\nATOM    652  CB AARG A  80      26.679 -31.500 -14.496  0.50 20.88           C  \\nATOM    653  CB BARG A  80      26.521 -31.955 -14.712  0.50 21.20           C  \\nATOM    654  CG AARG A  80      26.661 -31.978 -15.932  0.50 21.97           C  \\nATOM    655  CG BARG A  80      25.714 -32.242 -15.982  0.50 22.66           C  \\nATOM    656  CD AARG A  80      27.524 -31.088 -16.870  0.50 21.53           C  \\nATOM    657  CD BARG A  80      26.428 -31.725 -17.224  0.50 21.75           C  \\nATOM    658  NE AARG A  80      26.737 -30.102 -17.636  0.50 22.62           N  \\nATOM    659  NE BARG A  80      25.862 -30.471 -17.728  0.50 25.51           N  \\nATOM    660  CZ AARG A  80      26.769 -28.788 -17.456  0.50 17.84           C  \\nATOM    661  CZ BARG A  80      25.006 -30.421 -18.737  0.50 22.61           C  \\nATOM    662  NH1AARG A  80      27.557 -28.243 -16.540  0.50 20.02           N  \\nATOM    663  NH1BARG A  80      24.649 -31.545 -19.324  0.50 24.25           N  \\nATOM    664  NH2AARG A  80      26.024 -28.018 -18.226  0.50 20.52           N  \\nATOM    665  NH2BARG A  80      24.535 -29.263 -19.166  0.50 22.32           N  \\nATOM    666  N   ASN A  81      26.536 -31.869 -11.203  1.00 20.47           N  \\nATOM    667  CA  ASN A  81      27.380 -31.831 -10.030  1.00 18.36           C  \\nATOM    668  C   ASN A  81      26.972 -32.828  -8.945  1.00 16.30           C  \\nATOM    669  O   ASN A  81      25.905 -32.741  -8.334  1.00 16.06           O  \\nATOM    670  CB  ASN A  81      27.447 -30.405  -9.547  1.00 18.17           C  \\nATOM    671  CG  ASN A  81      28.455 -30.186  -8.428  1.00 18.04           C  \\nATOM    672  OD1 ASN A  81      28.467 -30.868  -7.416  1.00 18.71           O  \\nATOM    673  ND2 ASN A  81      29.217 -29.158  -8.563  1.00 16.25           N  \\nATOM    674  N   ALA A  82      27.848 -33.795  -8.728  1.00 16.51           N  \\nATOM    675  CA  ALA A  82      27.607 -34.849  -7.726  1.00 17.01           C  \\nATOM    676  C   ALA A  82      27.338 -34.313  -6.348  1.00 16.74           C  \\nATOM    677  O   ALA A  82      26.596 -34.947  -5.598  1.00 17.60           O  \\nATOM    678  CB  ALA A  82      28.775 -35.854  -7.667  1.00 16.45           C  \\nATOM    679  N   LYS A  83      28.010 -33.219  -5.938  1.00 17.87           N  \\nATOM    680  CA  LYS A  83      27.694 -32.636  -4.634  1.00 18.19           C  \\nATOM    681  C   LYS A  83      26.325 -31.918  -4.610  1.00 16.92           C  \\nATOM    682  O   LYS A  83      25.613 -31.921  -3.576  1.00 15.75           O  \\nATOM    683  CB  LYS A  83      28.770 -31.632  -4.191  1.00 21.02           C  \\nATOM    684  CG  LYS A  83      30.229 -32.140  -3.925  1.00 21.08           C  \\nATOM    685  CD  LYS A  83      30.272 -33.505  -3.162  1.00 25.06           C  \\nATOM    686  CE  LYS A  83      31.717 -34.072  -3.176  0.50 22.78           C  \\nATOM    687  NZ  LYS A  83      31.791 -35.494  -2.660  0.50 21.91           N  \\nATOM    688  N   LEU A  84      25.966 -31.254  -5.698  1.00 15.29           N  \\nATOM    689  CA  LEU A  84      24.751 -30.451  -5.706  1.00 13.58           C  \\nATOM    690  C   LEU A  84      23.466 -31.194  -6.041  1.00 12.55           C  \\nATOM    691  O   LEU A  84      22.428 -30.921  -5.469  1.00 11.18           O  \\nATOM    692  CB  LEU A  84      24.852 -29.184  -6.614  1.00 13.15           C  \\nATOM    693  CG  LEU A  84      26.065 -28.311  -6.204  1.00 15.68           C  \\nATOM    694  CD1 LEU A  84      26.191 -27.075  -7.087  1.00 16.32           C  \\nATOM    695  CD2 LEU A  84      25.995 -27.895  -4.722  1.00 14.11           C  \\nATOM    696  N   LYS A  85      23.515 -32.069  -7.022  1.00 13.06           N  \\nATOM    697  CA  LYS A  85      22.313 -32.704  -7.507  1.00 12.55           C  \\nATOM    698  C   LYS A  85      21.534 -33.396  -6.373  1.00 12.36           C  \\nATOM    699  O   LYS A  85      20.339 -33.227  -6.321  1.00 11.04           O  \\nATOM    700  CB  LYS A  85      22.673 -33.751  -8.539  1.00 12.48           C  \\nATOM    701  CG  LYS A  85      21.472 -34.332  -9.236  1.00 14.44           C  \\nATOM    702  CD  LYS A  85      21.993 -35.262 -10.277  1.00 15.12           C  \\nATOM    703  CE  LYS A  85      20.899 -35.812 -11.231  1.00 21.52           C  \\nATOM    704  NZ  LYS A  85      19.645 -36.159 -10.573  1.00 27.30           N  \\nATOM    705  N   PRO A  86      22.209 -34.190  -5.494  1.00 13.36           N  \\nATOM    706  CA  PRO A  86      21.280 -34.862  -4.535  1.00 15.21           C  \\nATOM    707  C   PRO A  86      20.522 -33.860  -3.645  1.00 13.25           C  \\nATOM    708  O   PRO A  86      19.345 -34.059  -3.320  1.00 16.43           O  \\nATOM    709  CB  PRO A  86      22.178 -35.800  -3.746  1.00 15.18           C  \\nATOM    710  CG  PRO A  86      23.555 -35.276  -3.923  1.00 17.57           C  \\nATOM    711  CD  PRO A  86      23.593 -34.585  -5.289  1.00 14.59           C  \\nATOM    712  N   VAL A  87      21.162 -32.734  -3.333  1.00 12.97           N  \\nATOM    713  CA  VAL A  87      20.538 -31.742  -2.481  1.00 11.84           C  \\nATOM    714  C   VAL A  87      19.384 -31.031  -3.215  1.00 10.58           C  \\nATOM    715  O   VAL A  87      18.285 -30.956  -2.712  1.00 11.03           O  \\nATOM    716  CB  VAL A  87      21.580 -30.741  -1.902  1.00 10.54           C  \\nATOM    717  CG1 VAL A  87      20.855 -29.791  -0.991  1.00  9.28           C  \\nATOM    718  CG2 VAL A  87      22.690 -31.532  -1.118  1.00  8.89           C  \\nATOM    719  N   TYR A  88      19.657 -30.592  -4.441  1.00 11.45           N  \\nATOM    720  CA  TYR A  88      18.735 -29.889  -5.249  1.00 11.18           C  \\nATOM    721  C   TYR A  88      17.515 -30.773  -5.493  1.00 10.20           C  \\nATOM    722  O   TYR A  88      16.374 -30.335  -5.311  1.00 11.44           O  \\nATOM    723  CB  TYR A  88      19.432 -29.606  -6.576  1.00 12.02           C  \\nATOM    724  CG  TYR A  88      18.583 -28.932  -7.610  1.00 13.71           C  \\nATOM    725  CD1 TYR A  88      18.417 -27.497  -7.637  1.00 14.57           C  \\nATOM    726  CD2 TYR A  88      17.953 -29.679  -8.563  1.00 18.15           C  \\nATOM    727  CE1 TYR A  88      17.638 -26.906  -8.601  1.00 14.02           C  \\nATOM    728  CE2 TYR A  88      17.170 -29.092  -9.528  1.00 16.88           C  \\nATOM    729  CZ  TYR A  88      17.019 -27.705  -9.560  1.00 18.17           C  \\nATOM    730  OH  TYR A  88      16.204 -27.127 -10.551  1.00 19.79           O  \\nATOM    731  N   ASP A  89      17.776 -32.049  -5.774  1.00 10.74           N  \\nATOM    732  CA  ASP A  89      16.674 -33.006  -6.065  1.00 12.94           C  \\nATOM    733  C   ASP A  89      15.829 -33.304  -4.823  1.00 12.44           C  \\nATOM    734  O   ASP A  89      14.621 -33.549  -4.925  1.00 13.04           O  \\nATOM    735  CB  ASP A  89      17.194 -34.257  -6.743  1.00 13.12           C  \\nATOM    736  CG  ASP A  89      17.303 -34.074  -8.236  1.00 13.91           C  \\nATOM    737  OD1 ASP A  89      16.892 -33.042  -8.766  1.00 15.52           O  \\nATOM    738  OD2 ASP A  89      17.756 -34.978  -8.898  1.00 21.38           O  \\nATOM    739  N   SER A  90      16.409 -33.106  -3.638  1.00 11.72           N  \\nATOM    740  CA  SER A  90      15.660 -33.220  -2.405  1.00 10.95           C  \\nATOM    741  C   SER A  90      14.740 -32.080  -2.107  1.00 10.69           C  \\nATOM    742  O   SER A  90      13.852 -32.248  -1.280  1.00 12.25           O  \\nATOM    743  CB  SER A  90      16.581 -33.479  -1.198  1.00 12.41           C  \\nATOM    744  OG  SER A  90      17.194 -32.313  -0.763  1.00 11.47           O  \\nATOM    745  N   LEU A  91      14.952 -30.915  -2.737  1.00  9.12           N  \\nATOM    746  CA  LEU A  91      14.219 -29.656  -2.481  1.00 10.06           C  \\nATOM    747  C   LEU A  91      12.899 -29.664  -3.226  1.00 11.73           C  \\nATOM    748  O   LEU A  91      12.775 -30.329  -4.247  1.00 12.75           O  \\nATOM    749  CB  LEU A  91      15.033 -28.380  -2.897  1.00  9.72           C  \\nATOM    750  CG  LEU A  91      16.397 -28.299  -2.172  1.00 10.30           C  \\nATOM    751  CD1 LEU A  91      17.225 -27.138  -2.620  1.00  9.12           C  \\nATOM    752  CD2 LEU A  91      16.127 -28.114  -0.655  1.00  7.71           C  \\nATOM    753  N   ASP A  92      11.901 -29.001  -2.645  1.00  9.35           N  \\nATOM    754  CA  ASP A  92      10.708 -28.583  -3.358  1.00 10.21           C  \\nATOM    755  C   ASP A  92      11.087 -27.496  -4.376  1.00 10.92           C  \\nATOM    756  O   ASP A  92      12.196 -26.961  -4.323  1.00  8.42           O  \\nATOM    757  CB  ASP A  92       9.779 -27.935  -2.344  1.00  9.21           C  \\nATOM    758  CG  ASP A  92      10.462 -26.795  -1.590  1.00 11.69           C  \\nATOM    759  OD1 ASP A  92      10.324 -25.664  -2.069  1.00 11.88           O  \\nATOM    760  OD2 ASP A  92      11.169 -27.048  -0.563  1.00  8.60           O  \\nATOM    761  N   ALA A  93      10.135 -27.105  -5.210  1.00 11.76           N  \\nATOM    762  CA  ALA A  93      10.459 -26.266  -6.361  1.00 11.76           C  \\nATOM    763  C   ALA A  93      10.819 -24.799  -5.973  1.00 12.10           C  \\nATOM    764  O   ALA A  93      11.607 -24.135  -6.660  1.00 13.45           O  \\nATOM    765  CB  ALA A  93       9.300 -26.308  -7.353  1.00 12.18           C  \\nATOM    766  N   VAL A  94      10.265 -24.324  -4.887  1.00 10.43           N  \\nATOM    767  CA  VAL A  94      10.563 -22.938  -4.494  1.00 10.59           C  \\nATOM    768  C   VAL A  94      12.014 -22.930  -3.997  1.00 11.05           C  \\nATOM    769  O   VAL A  94      12.808 -22.118  -4.468  1.00 10.69           O  \\nATOM    770  CB  VAL A  94       9.579 -22.389  -3.465  1.00 10.05           C  \\nATOM    771  CG1 VAL A  94       9.988 -20.922  -3.089  1.00 11.85           C  \\nATOM    772  CG2 VAL A  94       8.204 -22.392  -4.010  1.00 12.61           C  \\nATOM    773  N   ARG A  95      12.371 -23.875  -3.110  1.00  8.92           N  \\nATOM    774  CA  ARG A  95      13.760 -23.926  -2.600  1.00  9.62           C  \\nATOM    775  C   ARG A  95      14.742 -24.247  -3.756  1.00  9.72           C  \\nATOM    776  O   ARG A  95      15.857 -23.756  -3.748  1.00  8.79           O  \\nATOM    777  CB  ARG A  95      13.836 -24.966  -1.488  1.00 11.89           C  \\nATOM    778  CG  ARG A  95      13.277 -24.382  -0.244  1.00 10.80           C  \\nATOM    779  CD  ARG A  95      13.419 -25.320   0.867  1.00 11.93           C  \\nATOM    780  NE  ARG A  95      12.876 -24.781   2.106  1.00 11.55           N  \\nATOM    781  CZ  ARG A  95      11.655 -25.119   2.579  1.00 11.32           C  \\nATOM    782  NH1 ARG A  95      10.848 -25.885   1.879  1.00 12.81           N  \\nATOM    783  NH2 ARG A  95      11.211 -24.679   3.739  1.00 11.15           N  \\nATOM    784  N   ARG A  96      14.345 -25.065  -4.745  1.00  9.12           N  \\nATOM    785  CA AARG A  96      15.185 -25.273  -5.950  0.50  8.63           C  \\nATOM    786  CA BARG A  96      15.176 -25.279  -5.959  0.50  8.79           C  \\nATOM    787  C   ARG A  96      15.495 -23.932  -6.656  1.00  7.08           C  \\nATOM    788  O   ARG A  96      16.568 -23.755  -7.190  1.00  8.19           O  \\nATOM    789  CB AARG A  96      14.515 -26.228  -6.922  0.50  8.23           C  \\nATOM    790  CB BARG A  96      14.503 -26.246  -6.932  0.50  8.34           C  \\nATOM    791  CG AARG A  96      14.768 -27.705  -6.629  0.50  9.50           C  \\nATOM    792  CG BARG A  96      14.639 -27.724  -6.525  0.50 10.32           C  \\nATOM    793  CD AARG A  96      13.742 -28.551  -7.424  0.50 10.51           C  \\nATOM    794  CD BARG A  96      14.291 -28.742  -7.662  0.50  9.14           C  \\nATOM    795  NE AARG A  96      13.699 -29.939  -6.952  0.50  6.20           N  \\nATOM    796  NE BARG A  96      13.056 -28.510  -8.408  0.50  9.17           N  \\nATOM    797  CZ AARG A  96      13.153 -30.933  -7.645  0.50  6.83           C  \\nATOM    798  CZ BARG A  96      11.821 -28.918  -8.093  0.50 11.58           C  \\nATOM    799  NH1AARG A  96      12.587 -30.642  -8.813  0.50  8.36           N  \\nATOM    800  NH1BARG A  96      11.577 -29.569  -6.966  0.50 10.45           N  \\nATOM    801  NH2AARG A  96      13.157 -32.198  -7.165  0.50  5.25           N  \\nATOM    802  NH2BARG A  96      10.794 -28.646  -8.925  0.50 11.70           N  \\nATOM    803  N   CYS A  97      14.542 -22.988  -6.653  1.00  8.69           N  \\nATOM    804  CA  CYS A  97      14.791 -21.653  -7.256  1.00  8.03           C  \\nATOM    805  C   CYS A  97      15.864 -20.875  -6.507  1.00  8.90           C  \\nATOM    806  O   CYS A  97      16.715 -20.228  -7.101  1.00 10.59           O  \\nATOM    807  CB  CYS A  97      13.521 -20.831  -7.294  1.00  7.91           C  \\nATOM    808  SG  CYS A  97      12.333 -21.430  -8.509  1.00 12.20           S  \\nATOM    809  N   ALA A  98      15.833 -21.000  -5.191  1.00  9.06           N  \\nATOM    810  CA  ALA A  98      16.902 -20.479  -4.327  1.00  8.80           C  \\nATOM    811  C   ALA A  98      18.283 -21.031  -4.676  1.00  8.73           C  \\nATOM    812  O   ALA A  98      19.300 -20.264  -4.795  1.00 10.13           O  \\nATOM    813  CB  ALA A  98      16.518 -20.760  -2.798  1.00  5.17           C  \\nATOM    814  N   ALA A  99      18.337 -22.353  -4.875  1.00  8.14           N  \\nATOM    815  CA  ALA A  99      19.545 -22.977  -5.293  1.00  9.46           C  \\nATOM    816  C   ALA A  99      20.063 -22.509  -6.628  1.00  8.72           C  \\nATOM    817  O   ALA A  99      21.288 -22.348  -6.795  1.00  9.14           O  \\nATOM    818  CB  ALA A  99      19.425 -24.530  -5.246  1.00  7.90           C  \\nATOM    819  N   ILE A 100      19.163 -22.333  -7.599  1.00 10.00           N  \\nATOM    820  CA  ILE A 100      19.533 -21.873  -8.925  1.00 11.25           C  \\nATOM    821  C   ILE A 100      20.058 -20.454  -8.854  1.00 10.47           C  \\nATOM    822  O   ILE A 100      21.064 -20.119  -9.507  1.00 10.91           O  \\nATOM    823  CB  ILE A 100      18.330 -21.935  -9.943  1.00 11.12           C  \\nATOM    824  CG1 ILE A 100      17.993 -23.392 -10.240  1.00 11.84           C  \\nATOM    825  CG2 ILE A 100      18.754 -21.252 -11.335  1.00 12.33           C  \\nATOM    826  CD1 ILE A 100      16.597 -23.601 -10.710  1.00 10.89           C  \\nATOM    827  N   ASN A 101      19.396 -19.643  -8.053  1.00  9.60           N  \\nATOM    828  CA  ASN A 101      19.780 -18.251  -7.858  1.00  9.45           C  \\nATOM    829  C   ASN A 101      21.190 -18.228  -7.300  1.00  9.85           C  \\nATOM    830  O   ASN A 101      22.059 -17.570  -7.844  1.00  7.36           O  \\nATOM    831  CB  ASN A 101      18.757 -17.616  -6.863  1.00  9.79           C  \\nATOM    832  CG  ASN A 101      18.899 -16.124  -6.756  1.00 11.86           C  \\nATOM    833  OD1 ASN A 101      20.001 -15.604  -6.532  1.00  8.31           O  \\nATOM    834  ND2 ASN A 101      17.803 -15.423  -6.923  1.00  8.50           N  \\nATOM    835  N   GLN A 102      21.432 -18.962  -6.208  1.00 10.12           N  \\nATOM    836  CA AGLN A 102      22.773 -19.016  -5.648  0.50 10.25           C  \\nATOM    837  CA BGLN A 102      22.780 -19.057  -5.640  0.50 10.50           C  \\nATOM    838  C   GLN A 102      23.869 -19.402  -6.676  1.00 11.18           C  \\nATOM    839  O   GLN A 102      24.889 -18.719  -6.760  1.00 10.66           O  \\nATOM    840  CB AGLN A 102      22.835 -19.912  -4.426  0.50 10.09           C  \\nATOM    841  CB BGLN A 102      22.815 -20.067  -4.510  0.50 10.33           C  \\nATOM    842  CG AGLN A 102      23.964 -19.497  -3.556  0.50  7.11           C  \\nATOM    843  CG BGLN A 102      22.822 -19.432  -3.151  0.50  9.08           C  \\nATOM    844  CD AGLN A 102      24.309 -20.473  -2.472  0.50  6.99           C  \\nATOM    845  CD BGLN A 102      23.305 -20.387  -2.078  0.50  7.94           C  \\nATOM    846  OE1AGLN A 102      24.096 -21.672  -2.600  0.50 12.92           O  \\nATOM    847  OE1BGLN A 102      22.987 -21.565  -2.092  0.50 16.10           O  \\nATOM    848  NE2AGLN A 102      24.931 -19.974  -1.427  0.50  7.77           N  \\nATOM    849  NE2BGLN A 102      24.063 -19.892  -1.164  0.50 10.57           N  \\nATOM    850  N   VAL A 103      23.649 -20.480  -7.431  1.00 10.87           N  \\nATOM    851  CA  VAL A 103      24.582 -20.956  -8.454  1.00 12.09           C  \\nATOM    852  C   VAL A 103      24.760 -19.919  -9.574  1.00 13.15           C  \\nATOM    853  O   VAL A 103      25.904 -19.673  -9.954  1.00 15.38           O  \\nATOM    854  CB  VAL A 103      24.236 -22.345  -8.974  1.00 13.34           C  \\nATOM    855  CG1 VAL A 103      25.129 -22.758 -10.142  1.00 14.34           C  \\nATOM    856  CG2 VAL A 103      24.491 -23.354  -7.840  1.00 11.72           C  \\nATOM    857  N   PHE A 104      23.663 -19.274 -10.027  1.00 12.45           N  \\nATOM    858  CA  PHE A 104      23.679 -18.145 -10.975  1.00 10.68           C  \\nATOM    859  C   PHE A 104      24.623 -17.044 -10.501  1.00 12.64           C  \\nATOM    860  O   PHE A 104      25.468 -16.555 -11.272  1.00 11.51           O  \\nATOM    861  CB  PHE A 104      22.257 -17.576 -11.180  1.00 11.00           C  \\nATOM    862  CG  PHE A 104      22.122 -16.652 -12.320  1.00  8.36           C  \\nATOM    863  CD1 PHE A 104      21.583 -17.092 -13.538  1.00 11.61           C  \\nATOM    864  CD2 PHE A 104      22.466 -15.320 -12.194  1.00  8.67           C  \\nATOM    865  CE1 PHE A 104      21.421 -16.175 -14.612  1.00  9.36           C  \\nATOM    866  CE2 PHE A 104      22.340 -14.431 -13.254  1.00 13.27           C  \\nATOM    867  CZ  PHE A 104      21.822 -14.865 -14.465  1.00 13.38           C  \\nATOM    868  N   GLN A 105      24.502 -16.649  -9.236  1.00 12.72           N  \\nATOM    869  CA  GLN A 105      25.319 -15.563  -8.728  1.00 15.86           C  \\nATOM    870  C   GLN A 105      26.751 -16.004  -8.510  1.00 17.35           C  \\nATOM    871  O   GLN A 105      27.691 -15.248  -8.830  1.00 17.48           O  \\nATOM    872  CB  GLN A 105      24.745 -15.058  -7.405  1.00 15.76           C  \\nATOM    873  CG  GLN A 105      25.578 -13.964  -6.774  1.00 14.27           C  \\nATOM    874  CD  GLN A 105      24.990 -13.465  -5.475  1.00 13.91           C  \\nATOM    875  OE1 GLN A 105      24.073 -14.069  -4.896  1.00 12.77           O  \\nATOM    876  NE2 GLN A 105      25.583 -12.422  -4.952  1.00 12.88           N  \\nATOM    877  N   MET A 106      26.911 -17.182  -7.927  1.00 16.86           N  \\nATOM    878  CA  MET A 106      28.168 -17.555  -7.304  1.00 19.93           C  \\nATOM    879  C   MET A 106      28.992 -18.528  -8.154  1.00 20.32           C  \\nATOM    880  O   MET A 106      30.235 -18.672  -7.947  1.00 19.35           O  \\nATOM    881  CB  MET A 106      27.924 -18.205  -5.934  1.00 18.60           C  \\nATOM    882  CG  MET A 106      27.386 -17.295  -4.850  1.00 21.31           C  \\nATOM    883  SD  MET A 106      27.471 -18.195  -3.241  1.00 24.31           S  \\nATOM    884  CE  MET A 106      29.254 -18.219  -3.077  1.00 21.71           C  \\nATOM    885  N   GLY A 107      28.305 -19.212  -9.072  1.00 19.11           N  \\nATOM    886  CA  GLY A 107      28.899 -20.293  -9.766  1.00 21.79           C  \\nATOM    887  C   GLY A 107      28.906 -21.551  -8.895  1.00 24.35           C  \\nATOM    888  O   GLY A 107      28.893 -21.551  -7.636  1.00 24.08           O  \\nATOM    889  N   GLU A 108      28.923 -22.661  -9.585  1.00 26.03           N  \\nATOM    890  CA  GLU A 108      28.804 -23.952  -8.941  1.00 27.70           C  \\nATOM    891  C   GLU A 108      30.069 -24.412  -8.154  1.00 28.39           C  \\nATOM    892  O   GLU A 108      29.948 -25.152  -7.168  1.00 30.18           O  \\nATOM    893  CB  GLU A 108      28.274 -24.891 -10.014  1.00 28.40           C  \\nATOM    894  CG  GLU A 108      28.614 -26.283  -9.905  1.00 30.02           C  \\nATOM    895  CD  GLU A 108      28.600 -26.900 -11.263  1.00 32.60           C  \\nATOM    896  OE1 GLU A 108      27.873 -26.389 -12.154  1.00 29.69           O  \\nATOM    897  OE2 GLU A 108      29.348 -27.896 -11.440  1.00 38.04           O  \\nATOM    898  N   THR A 109      31.250 -23.886  -8.486  0.50 27.47           N  \\nATOM    899  CA  THR A 109      32.414 -23.973  -7.598  0.50 26.96           C  \\nATOM    900  C   THR A 109      32.076 -23.316  -6.277  0.50 27.19           C  \\nATOM    901  O   THR A 109      32.057 -23.938  -5.197  0.50 26.88           O  \\nATOM    902  CB  THR A 109      33.597 -23.192  -8.190  0.50 26.80           C  \\nATOM    903  OG1 THR A 109      34.004 -23.821  -9.398  0.50 25.74           O  \\nATOM    904  CG2 THR A 109      34.768 -23.122  -7.219  0.50 26.77           C  \\nATOM    905  N   GLY A 110      31.829 -22.023  -6.405  1.00 27.36           N  \\nATOM    906  CA  GLY A 110      31.351 -21.143  -5.339  1.00 27.49           C  \\nATOM    907  C   GLY A 110      30.484 -21.680  -4.232  1.00 26.84           C  \\nATOM    908  O   GLY A 110      30.497 -21.143  -3.107  0.50 26.84           O  \\nATOM    909  N   VAL A 111      29.723 -22.732  -4.522  1.00 26.45           N  \\nATOM    910  CA  VAL A 111      28.772 -23.259  -3.532  1.00 26.47           C  \\nATOM    911  C   VAL A 111      28.878 -24.772  -3.281  1.00 25.98           C  \\nATOM    912  O   VAL A 111      28.406 -25.246  -2.229  1.00 26.31           O  \\nATOM    913  CB  VAL A 111      27.296 -22.956  -3.901  1.00 26.12           C  \\nATOM    914  CG1 VAL A 111      27.140 -21.547  -4.341  1.00 27.99           C  \\nATOM    915  CG2 VAL A 111      26.880 -23.853  -5.024  1.00 28.79           C  \\nATOM    916  N   ALA A 112      29.420 -25.534  -4.240  0.50 23.07           N  \\nATOM    917  CA  ALA A 112      29.546 -26.957  -4.037  0.50 21.62           C  \\nATOM    918  C   ALA A 112      30.355 -27.117  -2.781  0.50 20.44           C  \\nATOM    919  O   ALA A 112      30.278 -28.151  -2.113  0.50 19.71           O  \\nATOM    920  CB  ALA A 112      30.236 -27.620  -5.226  0.50 20.80           C  \\nATOM    921  N   GLY A 113      31.132 -26.077  -2.463  0.50 20.03           N  \\nATOM    922  CA  GLY A 113      31.970 -26.087  -1.267  0.50 20.03           C  \\nATOM    923  C   GLY A 113      31.194 -25.989   0.020  0.50 20.96           C  \\nATOM    924  O   GLY A 113      31.684 -26.463   1.023  0.50 21.46           O  \\nATOM    925  N   PHE A 114      29.986 -25.378  -0.004  0.50 21.11           N  \\nATOM    926  CA  PHE A 114      29.126 -25.087   1.195  1.00 20.65           C  \\nATOM    927  C   PHE A 114      28.571 -26.368   1.851  1.00 20.80           C  \\nATOM    928  O   PHE A 114      27.332 -26.502   2.086  1.00 20.43           O  \\nATOM    929  CB  PHE A 114      27.883 -24.332   0.771  1.00 20.55           C  \\nATOM    930  CG  PHE A 114      28.052 -22.879   0.652  1.00 21.45           C  \\nATOM    931  CD1 PHE A 114      29.220 -22.324   0.121  1.00 22.63           C  \\nATOM    932  CD2 PHE A 114      27.034 -22.035   1.068  1.00 21.02           C  \\nATOM    933  CE1 PHE A 114      29.361 -20.954  -0.006  1.00 22.30           C  \\nATOM    934  CE2 PHE A 114      27.166 -20.649   0.963  1.00 21.56           C  \\nATOM    935  CZ  PHE A 114      28.325 -20.124   0.398  1.00 17.62           C  \\nATOM    936  N   THR A 115      29.475 -27.271   2.169  1.00 20.48           N  \\nATOM    937  CA  THR A 115      29.179 -28.577   2.662  1.00 20.41           C  \\nATOM    938  C   THR A 115      28.165 -28.563   3.794  1.00 20.50           C  \\nATOM    939  O   THR A 115      27.201 -29.262   3.708  1.00 20.84           O  \\nATOM    940  CB  THR A 115      30.501 -29.245   3.078  1.00 20.89           C  \\nATOM    941  OG1 THR A 115      31.424 -29.087   1.987  1.00 23.33           O  \\nATOM    942  CG2 THR A 115      30.335 -30.728   3.347  1.00 18.66           C  \\nATOM    943  N   ASN A 116      28.371 -27.746   4.839  1.00 18.21           N  \\nATOM    944  CA  ASN A 116      27.469 -27.822   5.988  1.00 17.50           C  \\nATOM    945  C   ASN A 116      26.065 -27.346   5.652  1.00 13.78           C  \\nATOM    946  O   ASN A 116      25.105 -27.922   6.095  1.00 13.64           O  \\nATOM    947  CB  ASN A 116      28.106 -27.124   7.250  1.00 17.58           C  \\nATOM    948  CG  ASN A 116      29.504 -27.696   7.556  1.00 24.31           C  \\nATOM    949  OD1 ASN A 116      29.717 -28.907   7.411  1.00 29.56           O  \\nATOM    950  ND2 ASN A 116      30.470 -26.841   7.880  1.00 20.62           N  \\nATOM    951  N   SER A 117      25.952 -26.296   4.848  1.00 14.67           N  \\nATOM    952  CA  SER A 117      24.664 -25.789   4.444  1.00 12.70           C  \\nATOM    953  C   SER A 117      23.935 -26.835   3.589  1.00 13.95           C  \\nATOM    954  O   SER A 117      22.726 -26.999   3.751  1.00 11.13           O  \\nATOM    955  CB  SER A 117      24.749 -24.492   3.610  1.00 13.93           C  \\nATOM    956  OG  SER A 117      24.987 -23.395   4.421  1.00 16.91           O  \\nATOM    957  N   LEU A 118      24.680 -27.490   2.672  1.00 12.01           N  \\nATOM    958  CA  LEU A 118      24.140 -28.552   1.825  1.00 11.90           C  \\nATOM    959  C   LEU A 118      23.588 -29.687   2.682  1.00 12.14           C  \\nATOM    960  O   LEU A 118      22.451 -30.094   2.500  1.00 13.71           O  \\nATOM    961  CB  LEU A 118      25.203 -29.056   0.878  1.00 13.88           C  \\nATOM    962  CG  LEU A 118      25.595 -28.144  -0.309  1.00 12.09           C  \\nATOM    963  CD1 LEU A 118      26.960 -28.688  -0.910  1.00 13.87           C  \\nATOM    964  CD2 LEU A 118      24.462 -28.057  -1.353  1.00 16.87           C  \\nATOM    965  N   ARG A 119      24.386 -30.183   3.633  1.00 11.98           N  \\nATOM    966  CA  ARG A 119      23.886 -31.245   4.515  1.00 11.24           C  \\nATOM    967  C   ARG A 119      22.593 -30.742   5.202  1.00 11.22           C  \\nATOM    968  O   ARG A 119      21.570 -31.410   5.227  1.00  8.74           O  \\nATOM    969  CB  ARG A 119      24.954 -31.713   5.499  1.00 11.08           C  \\nATOM    970  CG  ARG A 119      24.600 -32.960   6.276  1.00 10.79           C  \\nATOM    971  CD  ARG A 119      25.527 -33.168   7.535  1.00 16.78           C  \\nATOM    972  NE  ARG A 119      25.625 -31.919   8.307  1.00 21.45           N  \\nATOM    973  CZ  ARG A 119      26.668 -31.083   8.324  1.00 29.04           C  \\nATOM    974  NH1 ARG A 119      26.543 -29.952   9.036  1.00 30.09           N  \\nATOM    975  NH2 ARG A 119      27.812 -31.376   7.662  1.00 25.65           N  \\nATOM    976  N   MET A 120      22.583 -29.522   5.725  1.00  9.62           N  \\nATOM    977  CA  MET A 120      21.418 -29.091   6.484  1.00 11.98           C  \\nATOM    978  C   MET A 120      20.134 -28.959   5.604  1.00 11.50           C  \\nATOM    979  O   MET A 120      19.002 -29.260   6.022  1.00  9.90           O  \\nATOM    980  CB  MET A 120      21.732 -27.796   7.222  1.00 11.41           C  \\nATOM    981  CG  MET A 120      22.750 -28.005   8.432  1.00 14.40           C  \\nATOM    982  SD  MET A 120      23.272 -26.344   8.882  1.00 16.62           S  \\nATOM    983  CE  MET A 120      24.670 -26.596   9.954  1.00 12.89           C  \\nATOM    984  N   LEU A 121      20.353 -28.505   4.371  1.00  8.95           N  \\nATOM    985  CA  LEU A 121      19.268 -28.354   3.446  1.00 10.95           C  \\nATOM    986  C   LEU A 121      18.731 -29.725   3.085  1.00  9.95           C  \\nATOM    987  O   LEU A 121      17.498 -29.930   3.091  1.00 10.79           O  \\nATOM    988  CB  LEU A 121      19.741 -27.609   2.202  1.00  9.04           C  \\nATOM    989  CG  LEU A 121      19.936 -26.112   2.375  1.00 11.90           C  \\nATOM    990  CD1 LEU A 121      20.679 -25.667   1.152  1.00 13.70           C  \\nATOM    991  CD2 LEU A 121      18.519 -25.356   2.591  1.00 11.27           C  \\nATOM    992  N   GLN A 122      19.663 -30.658   2.845  1.00 10.83           N  \\nATOM    993  CA  GLN A 122      19.257 -32.019   2.510  1.00 12.46           C  \\nATOM    994  C   GLN A 122      18.462 -32.615   3.648  1.00 12.54           C  \\nATOM    995  O   GLN A 122      17.474 -33.322   3.407  1.00 14.71           O  \\nATOM    996  CB  GLN A 122      20.407 -32.970   2.112  1.00 12.14           C  \\nATOM    997  CG  GLN A 122      19.742 -34.131   1.363  1.00 18.62           C  \\nATOM    998  CD  GLN A 122      20.606 -35.004   0.544  1.00 24.30           C  \\nATOM    999  OE1 GLN A 122      21.807 -34.819   0.482  1.00 27.12           O  \\nATOM   1000  NE2 GLN A 122      19.977 -36.021  -0.112  1.00 29.08           N  \\nATOM   1001  N   GLN A 123      18.911 -32.317   4.870  1.00 10.26           N  \\nATOM   1002  CA  GLN A 123      18.208 -32.763   6.077  1.00 12.09           C  \\nATOM   1003  C   GLN A 123      16.931 -32.015   6.330  1.00 10.49           C  \\nATOM   1004  O   GLN A 123      16.200 -32.435   7.234  1.00 10.22           O  \\nATOM   1005  CB  GLN A 123      19.106 -32.643   7.291  1.00 12.65           C  \\nATOM   1006  CG  GLN A 123      20.318 -33.565   7.214  1.00 14.54           C  \\nATOM   1007  CD  GLN A 123      21.269 -33.210   8.330  1.00 20.20           C  \\nATOM   1008  OE1 GLN A 123      21.588 -32.053   8.569  1.00 23.54           O  \\nATOM   1009  NE2 GLN A 123      21.653 -34.202   9.077  1.00 21.25           N  \\nATOM   1010  N   LYS A 124      16.695 -30.900   5.600  1.00  8.77           N  \\nATOM   1011  CA  LYS A 124      15.551 -30.031   5.775  1.00  9.57           C  \\nATOM   1012  C   LYS A 124      15.472 -29.396   7.157  1.00 10.32           C  \\nATOM   1013  O   LYS A 124      14.365 -29.133   7.691  1.00  8.99           O  \\nATOM   1014  CB  LYS A 124      14.224 -30.803   5.496  1.00 10.84           C  \\nATOM   1015  CG  LYS A 124      14.247 -31.517   4.127  1.00 10.03           C  \\nATOM   1016  CD  LYS A 124      12.790 -31.774   3.726  1.00 14.12           C  \\nATOM   1017  CE  LYS A 124      12.723 -32.564   2.425  1.00 13.03           C  \\nATOM   1018  NZ  LYS A 124      13.073 -31.565   1.389  1.00 11.75           N  \\nATOM   1019  N   ARG A 125      16.657 -29.170   7.740  1.00 11.02           N  \\nATOM   1020  CA  ARG A 125      16.816 -28.343   8.953  1.00 11.19           C  \\nATOM   1021  C   ARG A 125      16.901 -26.896   8.502  1.00 10.83           C  \\nATOM   1022  O   ARG A 125      17.994 -26.317   8.404  1.00  9.31           O  \\nATOM   1023  CB  ARG A 125      18.113 -28.762   9.609  1.00 11.56           C  \\nATOM   1024  CG  ARG A 125      18.068 -30.214  10.018  1.00 14.82           C  \\nATOM   1025  CD  ARG A 125      19.232 -30.566  10.788  1.00 17.30           C  \\nATOM   1026  NE  ARG A 125      18.951 -31.901  11.151  1.00 22.23           N  \\nATOM   1027  CZ  ARG A 125      19.706 -32.652  11.923  1.00 24.26           C  \\nATOM   1028  NH1 ARG A 125      20.837 -32.148  12.432  1.00 24.36           N  \\nATOM   1029  NH2 ARG A 125      19.320 -33.899  12.188  1.00 20.48           N  \\nATOM   1030  N   TRP A 126      15.746 -26.337   8.198  1.00 11.50           N  \\nATOM   1031  CA  TRP A 126      15.685 -25.119   7.433  1.00 11.31           C  \\nATOM   1032  C   TRP A 126      16.275 -23.953   8.184  1.00 10.57           C  \\nATOM   1033  O   TRP A 126      17.036 -23.165   7.611  1.00 10.01           O  \\nATOM   1034  CB  TRP A 126      14.257 -24.802   7.082  1.00 10.69           C  \\nATOM   1035  CG  TRP A 126      13.613 -25.871   6.252  1.00 10.97           C  \\nATOM   1036  CD1 TRP A 126      12.358 -26.454   6.493  1.00 10.96           C  \\nATOM   1037  CD2 TRP A 126      14.107 -26.481   5.039  1.00  8.18           C  \\nATOM   1038  NE1 TRP A 126      12.061 -27.350   5.497  1.00  7.24           N  \\nATOM   1039  CE2 TRP A 126      13.098 -27.377   4.586  1.00  7.76           C  \\nATOM   1040  CE3 TRP A 126      15.290 -26.325   4.258  1.00  8.21           C  \\nATOM   1041  CZ2 TRP A 126      13.245 -28.152   3.432  1.00  9.89           C  \\nATOM   1042  CZ3 TRP A 126      15.435 -27.102   3.119  1.00 11.23           C  \\nATOM   1043  CH2 TRP A 126      14.409 -28.011   2.710  1.00 12.37           C  \\nATOM   1044  N   ASP A 127      15.907 -23.826   9.446  1.00 10.56           N  \\nATOM   1045  CA  ASP A 127      16.403 -22.699  10.270  1.00 11.21           C  \\nATOM   1046  C   ASP A 127      17.898 -22.777  10.490  1.00 12.06           C  \\nATOM   1047  O   ASP A 127      18.585 -21.791  10.363  1.00 10.46           O  \\nATOM   1048  CB  ASP A 127      15.672 -22.650  11.597  1.00 11.48           C  \\nATOM   1049  CG  ASP A 127      14.328 -21.976  11.482  1.00 13.96           C  \\nATOM   1050  OD1 ASP A 127      13.703 -21.980  10.412  1.00 16.32           O  \\nATOM   1051  OD2 ASP A 127      13.868 -21.460  12.516  1.00 16.07           O  \\nATOM   1052  N   GLU A 128      18.406 -23.969  10.754  1.00 11.28           N  \\nATOM   1053  CA  GLU A 128      19.822 -24.183  10.852  1.00 10.84           C  \\nATOM   1054  C   GLU A 128      20.590 -23.895   9.551  1.00  9.95           C  \\nATOM   1055  O   GLU A 128      21.689 -23.278   9.605  1.00 10.56           O  \\nATOM   1056  CB  GLU A 128      20.059 -25.637  11.273  1.00 12.35           C  \\nATOM   1057  CG  GLU A 128      19.654 -25.892  12.743  1.00 14.29           C  \\nATOM   1058  CD  GLU A 128      19.518 -27.371  13.042  1.00 23.59           C  \\nATOM   1059  OE1 GLU A 128      20.571 -27.988  13.244  1.00 28.03           O  \\nATOM   1060  OE2 GLU A 128      18.393 -27.936  13.004  1.00 22.82           O  \\nATOM   1061  N   ALA A 129      20.059 -24.427   8.412  1.00  9.52           N  \\nATOM   1062  CA  ALA A 129      20.614 -24.150   7.121  1.00  8.08           C  \\nATOM   1063  C   ALA A 129      20.664 -22.660   6.960  1.00  9.66           C  \\nATOM   1064  O   ALA A 129      21.700 -22.135   6.548  1.00 10.47           O  \\nATOM   1065  CB  ALA A 129      19.752 -24.760   5.994  1.00  9.66           C  \\nATOM   1066  N   ALA A 130      19.540 -21.985   7.223  1.00  8.59           N  \\nATOM   1067  CA  ALA A 130      19.482 -20.501   7.031  1.00  9.27           C  \\nATOM   1068  C   ALA A 130      20.574 -19.751   7.877  1.00 11.55           C  \\nATOM   1069  O   ALA A 130      21.278 -18.835   7.360  1.00  9.06           O  \\nATOM   1070  CB  ALA A 130      18.069 -19.952   7.273  1.00 11.90           C  \\nATOM   1071  N   VAL A 131      20.722 -20.142   9.168  1.00  9.05           N  \\nATOM   1072  CA  VAL A 131      21.816 -19.616   9.977  1.00  9.62           C  \\nATOM   1073  C   VAL A 131      23.230 -19.906   9.329  1.00 10.40           C  \\nATOM   1074  O   VAL A 131      24.079 -18.998   9.194  1.00 11.43           O  \\nATOM   1075  CB  VAL A 131      21.717 -20.155  11.429  1.00  9.12           C  \\nATOM   1076  CG1 VAL A 131      23.013 -19.853  12.229  1.00  8.74           C  \\nATOM   1077  CG2 VAL A 131      20.483 -19.699  12.090  1.00  7.97           C  \\nATOM   1078  N   ASN A 132      23.468 -21.140   8.902  1.00  8.63           N  \\nATOM   1079  CA  ASN A 132      24.738 -21.475   8.298  1.00  9.35           C  \\nATOM   1080  C   ASN A 132      25.009 -20.676   6.989  1.00 10.31           C  \\nATOM   1081  O   ASN A 132      26.130 -20.183   6.752  1.00 11.19           O  \\nATOM   1082  CB  ASN A 132      24.859 -22.983   8.098  1.00 10.23           C  \\nATOM   1083  CG  ASN A 132      26.243 -23.402   7.634  1.00  9.00           C  \\nATOM   1084  OD1 ASN A 132      26.518 -23.466   6.454  1.00 10.71           O  \\nATOM   1085  ND2 ASN A 132      27.157 -23.579   8.585  1.00 12.84           N  \\nATOM   1086  N   LEU A 133      23.994 -20.536   6.159  1.00 10.56           N  \\nATOM   1087  CA  LEU A 133      24.183 -19.848   4.879  1.00 10.42           C  \\nATOM   1088  C   LEU A 133      24.692 -18.414   5.076  1.00 11.53           C  \\nATOM   1089  O   LEU A 133      25.361 -17.880   4.204  1.00  9.09           O  \\nATOM   1090  CB  LEU A 133      22.847 -19.880   4.082  1.00 12.47           C  \\nATOM   1091  CG  LEU A 133      22.511 -21.243   3.411  1.00 11.75           C  \\nATOM   1092  CD1 LEU A 133      21.076 -21.166   2.998  1.00 14.40           C  \\nATOM   1093  CD2 LEU A 133      23.509 -21.430   2.218  1.00 10.18           C  \\nATOM   1094  N   ALA A 134      24.244 -17.761   6.164  1.00  9.86           N  \\nATOM   1095  CA  ALA A 134      24.515 -16.342   6.376  1.00 11.13           C  \\nATOM   1096  C   ALA A 134      25.937 -16.135   6.860  1.00 10.53           C  \\nATOM   1097  O   ALA A 134      26.468 -15.019   6.763  1.00 13.61           O  \\nATOM   1098  CB  ALA A 134      23.540 -15.727   7.359  1.00  6.79           C  \\nATOM   1099  N   LYS A 135      26.521 -17.176   7.420  1.00 10.88           N  \\nATOM   1100  CA  LYS A 135      27.938 -17.210   7.824  1.00 12.29           C  \\nATOM   1101  C   LYS A 135      28.867 -17.317   6.622  1.00 10.63           C  \\nATOM   1102  O   LYS A 135      29.602 -18.282   6.499  1.00 11.00           O  \\nATOM   1103  CB  LYS A 135      28.212 -18.324   8.874  1.00 10.79           C  \\nATOM   1104  CG  LYS A 135      27.435 -18.174  10.139  1.00 12.16           C  \\nATOM   1105  CD  LYS A 135      27.536 -19.419  11.051  1.00 14.53           C  \\nATOM   1106  CE  LYS A 135      27.007 -19.193  12.427  0.50 14.32           C  \\nATOM   1107  NZ  LYS A 135      26.869 -20.512  13.183  0.50  7.91           N  \\nATOM   1108  N   SER A 136      28.856 -16.325   5.707  1.00  9.25           N  \\nATOM   1109  CA  SER A 136      29.565 -16.487   4.458  1.00  7.74           C  \\nATOM   1110  C   SER A 136      29.969 -15.082   3.896  1.00  8.32           C  \\nATOM   1111  O   SER A 136      29.318 -14.072   4.224  1.00  5.92           O  \\nATOM   1112  CB  SER A 136      28.638 -17.216   3.471  1.00  6.70           C  \\nATOM   1113  OG  SER A 136      27.458 -16.399   3.154  1.00  7.37           O  \\nATOM   1114  N   ARG A 137      31.044 -15.062   3.103  1.00  9.64           N  \\nATOM   1115  CA  ARG A 137      31.454 -13.895   2.335  1.00  9.18           C  \\nATOM   1116  C   ARG A 137      30.303 -13.518   1.444  1.00  9.66           C  \\nATOM   1117  O   ARG A 137      29.933 -12.374   1.386  1.00 10.57           O  \\nATOM   1118  CB  ARG A 137      32.711 -14.249   1.451  1.00  9.58           C  \\nATOM   1119  CG  ARG A 137      32.909 -13.118   0.439  1.00 13.45           C  \\nATOM   1120  CD  ARG A 137      34.044 -13.289  -0.494  1.00 19.25           C  \\nATOM   1121  NE  ARG A 137      34.397 -11.993  -1.080  1.00 21.02           N  \\nATOM   1122  CZ  ARG A 137      33.786 -11.405  -2.111  1.00 22.67           C  \\nATOM   1123  NH1 ARG A 137      32.706 -11.928  -2.706  1.00 20.47           N  \\nATOM   1124  NH2 ARG A 137      34.260 -10.228  -2.523  1.00 19.29           N  \\nATOM   1125  N   TRP A 138      29.623 -14.521   0.885  1.00 11.03           N  \\nATOM   1126  CA  TRP A 138      28.437 -14.316   0.098  1.00 11.24           C  \\nATOM   1127  C   TRP A 138      27.454 -13.347   0.764  1.00 11.55           C  \\nATOM   1128  O   TRP A 138      27.027 -12.314   0.188  1.00  9.89           O  \\nATOM   1129  CB  TRP A 138      27.744 -15.665  -0.146  1.00 10.91           C  \\nATOM   1130  CG  TRP A 138      26.395 -15.538  -0.873  1.00 12.27           C  \\nATOM   1131  CD1 TRP A 138      26.133 -14.884  -2.074  1.00 12.34           C  \\nATOM   1132  CD2 TRP A 138      25.152 -16.132  -0.462  1.00 12.34           C  \\nATOM   1133  NE1 TRP A 138      24.792 -15.025  -2.412  1.00 13.37           N  \\nATOM   1134  CE2 TRP A 138      24.172 -15.788  -1.447  1.00 11.66           C  \\nATOM   1135  CE3 TRP A 138      24.760 -16.870   0.682  1.00 12.11           C  \\nATOM   1136  CZ2 TRP A 138      22.839 -16.176  -1.361  1.00  8.21           C  \\nATOM   1137  CZ3 TRP A 138      23.431 -17.296   0.779  1.00 10.35           C  \\nATOM   1138  CH2 TRP A 138      22.456 -16.924  -0.247  1.00 14.47           C  \\nATOM   1139  N   TYR A 139      27.012 -13.737   1.949  1.00 11.34           N  \\nATOM   1140  CA  TYR A 139      26.026 -12.943   2.704  1.00 11.23           C  \\nATOM   1141  C   TYR A 139      26.575 -11.534   3.036  1.00  9.47           C  \\nATOM   1142  O   TYR A 139      25.897 -10.529   2.916  1.00 10.38           O  \\nATOM   1143  CB  TYR A 139      25.734 -13.665   4.018  1.00 12.01           C  \\nATOM   1144  CG  TYR A 139      24.693 -12.895   4.795  1.00 12.94           C  \\nATOM   1145  CD1 TYR A 139      23.352 -13.084   4.521  1.00 12.59           C  \\nATOM   1146  CD2 TYR A 139      25.067 -11.908   5.717  1.00 19.30           C  \\nATOM   1147  CE1 TYR A 139      22.350 -12.339   5.171  1.00 16.64           C  \\nATOM   1148  CE2 TYR A 139      24.090 -11.131   6.385  1.00 21.33           C  \\nATOM   1149  CZ  TYR A 139      22.735 -11.330   6.092  1.00 22.30           C  \\nATOM   1150  OH  TYR A 139      21.753 -10.556   6.754  1.00 24.45           O  \\nATOM   1151  N   ASN A 140      27.821 -11.472   3.470  1.00 10.13           N  \\nATOM   1152  CA  ASN A 140      28.380 -10.204   3.913  1.00  9.96           C  \\nATOM   1153  C   ASN A 140      28.594  -9.261   2.758  1.00  9.63           C  \\nATOM   1154  O   ASN A 140      28.414  -8.085   2.964  1.00 11.53           O  \\nATOM   1155  CB  ASN A 140      29.645 -10.332   4.669  1.00 11.45           C  \\nATOM   1156  CG  ASN A 140      29.432 -10.943   5.998  1.00 16.67           C  \\nATOM   1157  OD1 ASN A 140      29.744 -12.139   6.227  1.00 16.40           O  \\nATOM   1158  ND2 ASN A 140      28.909 -10.137   6.916  1.00 18.71           N  \\nATOM   1159  N   GLN A 141      28.875  -9.770   1.578  1.00  8.18           N  \\nATOM   1160  CA  GLN A 141      29.117  -8.909   0.408  1.00  9.37           C  \\nATOM   1161  C   GLN A 141      27.830  -8.437  -0.224  1.00  9.01           C  \\nATOM   1162  O   GLN A 141      27.732  -7.271  -0.722  1.00 10.59           O  \\nATOM   1163  CB  GLN A 141      30.005  -9.606  -0.625  1.00  9.35           C  \\nATOM   1164  CG  GLN A 141      31.492  -9.894  -0.173  1.00 13.96           C  \\nATOM   1165  CD  GLN A 141      32.188  -8.695   0.540  1.00 14.24           C  \\nATOM   1166  OE1 GLN A 141      32.719  -8.840   1.666  1.00 12.50           O  \\nATOM   1167  NE2 GLN A 141      32.211  -7.514  -0.159  1.00 14.10           N  \\nATOM   1168  N   THR A 142      26.849  -9.334  -0.296  1.00  7.29           N  \\nATOM   1169  CA  THR A 142      25.546  -8.991  -0.865  1.00  8.08           C  \\nATOM   1170  C   THR A 142      24.452  -9.380   0.129  1.00  8.74           C  \\nATOM   1171  O   THR A 142      23.703 -10.369  -0.122  1.00  8.55           O  \\nATOM   1172  CB  THR A 142      25.294  -9.708  -2.292  1.00  8.81           C  \\nATOM   1173  OG1 THR A 142      25.507 -11.144  -2.185  1.00 10.19           O  \\nATOM   1174  CG2 THR A 142      26.232  -9.107  -3.351  1.00  8.35           C  \\nATOM   1175  N   PRO A 143      24.377  -8.678   1.270  1.00 10.31           N  \\nATOM   1176  CA  PRO A 143      23.436  -9.139   2.315  1.00 10.69           C  \\nATOM   1177  C   PRO A 143      21.985  -9.007   1.926  1.00 11.77           C  \\nATOM   1178  O   PRO A 143      21.181  -9.846   2.330  1.00 13.01           O  \\nATOM   1179  CB  PRO A 143      23.788  -8.212   3.547  1.00 10.60           C  \\nATOM   1180  CG  PRO A 143      24.424  -7.016   2.957  1.00 12.90           C  \\nATOM   1181  CD  PRO A 143      25.164  -7.483   1.737  1.00  8.51           C  \\nATOM   1182  N   ASP A 144      21.612  -7.977   1.170  1.00  9.27           N  \\nATOM   1183  CA  ASP A 144      20.178  -7.796   0.924  1.00 10.93           C  \\nATOM   1184  C   ASP A 144      19.654  -8.950   0.028  1.00 10.02           C  \\nATOM   1185  O   ASP A 144      18.618  -9.573   0.307  1.00  6.13           O  \\nATOM   1186  CB  ASP A 144      19.906  -6.399   0.349  1.00 10.61           C  \\nATOM   1187  CG  ASP A 144      20.068  -5.269   1.463  1.00 12.99           C  \\nATOM   1188  OD1 ASP A 144      20.160  -5.566   2.651  1.00 19.65           O  \\nATOM   1189  OD2 ASP A 144      20.125  -4.131   1.116  1.00 20.27           O  \\nATOM   1190  N   ARG A 145      20.455  -9.241  -0.987  1.00  8.94           N  \\nATOM   1191  CA  ARG A 145      20.138 -10.336  -1.897  1.00 10.43           C  \\nATOM   1192  C   ARG A 145      20.211 -11.686  -1.194  1.00  9.22           C  \\nATOM   1193  O   ARG A 145      19.344 -12.520  -1.358  1.00  9.97           O  \\nATOM   1194  CB  ARG A 145      21.075 -10.344  -3.101  1.00 11.14           C  \\nATOM   1195  CG  ARG A 145      20.485 -11.315  -4.193  1.00 11.36           C  \\nATOM   1196  CD  ARG A 145      21.577 -11.846  -4.946  1.00 16.41           C  \\nATOM   1197  NE  ARG A 145      21.239 -12.817  -5.951  1.00 13.85           N  \\nATOM   1198  CZ  ARG A 145      21.814 -12.769  -7.147  1.00 14.83           C  \\nATOM   1199  NH1 ARG A 145      22.651 -11.764  -7.404  1.00 12.25           N  \\nATOM   1200  NH2 ARG A 145      21.533 -13.680  -8.075  1.00 10.86           N  \\nATOM   1201  N   ALA A 146      21.291 -11.919  -0.470  1.00 10.54           N  \\nATOM   1202  CA  ALA A 146      21.522 -13.175   0.219  1.00  8.75           C  \\nATOM   1203  C   ALA A 146      20.360 -13.395   1.244  1.00  9.60           C  \\nATOM   1204  O   ALA A 146      19.936 -14.521   1.446  1.00  9.60           O  \\nATOM   1205  CB  ALA A 146      22.907 -13.178   0.919  1.00 10.90           C  \\nATOM   1206  N   LYS A 147      19.917 -12.329   1.930  1.00  9.35           N  \\nATOM   1207  CA ALYS A 147      18.779 -12.380   2.883  0.50  9.70           C  \\nATOM   1208  CA BLYS A 147      18.806 -12.458   2.883  0.50  9.35           C  \\nATOM   1209  C   LYS A 147      17.519 -12.911   2.181  1.00  9.60           C  \\nATOM   1210  O   LYS A 147      16.809 -13.793   2.698  1.00  9.12           O  \\nATOM   1211  CB ALYS A 147      18.498 -10.981   3.453  0.50 10.21           C  \\nATOM   1212  CB BLYS A 147      18.603 -11.141   3.600  0.50  9.10           C  \\nATOM   1213  CG ALYS A 147      19.370 -10.521   4.638  0.50 11.22           C  \\nATOM   1214  CG BLYS A 147      17.454 -11.101   4.574  0.50  6.22           C  \\nATOM   1215  CD ALYS A 147      19.328  -8.952   4.874  0.50  8.64           C  \\nATOM   1216  CD BLYS A 147      17.268  -9.648   5.044  0.50  7.29           C  \\nATOM   1217  CE ALYS A 147      20.131  -8.574   6.141  0.50 13.87           C  \\nATOM   1218  CE BLYS A 147      18.370  -9.164   5.948  0.50  8.48           C  \\nATOM   1219  NZ ALYS A 147      19.929  -7.106   6.677  0.50 15.97           N  \\nATOM   1220  NZ BLYS A 147      17.931  -7.858   6.603  0.50 16.66           N  \\nATOM   1221  N   ARG A 148      17.234 -12.360   0.991  1.00  8.37           N  \\nATOM   1222  CA  ARG A 148      16.067 -12.838   0.171  1.00  8.61           C  \\nATOM   1223  C   ARG A 148      16.233 -14.314  -0.189  1.00  8.22           C  \\nATOM   1224  O   ARG A 148      15.310 -15.053  -0.090  1.00  7.25           O  \\nATOM   1225  CB  ARG A 148      15.944 -12.055  -1.149  1.00  9.76           C  \\nATOM   1226  CG  ARG A 148      15.473 -10.615  -0.941  1.00  9.47           C  \\nATOM   1227  CD  ARG A 148      14.955 -10.035  -2.231  1.00 11.55           C  \\nATOM   1228  NE  ARG A 148      16.083  -9.749  -3.139  1.00  9.12           N  \\nATOM   1229  CZ  ARG A 148      16.892  -8.676  -3.062  1.00 12.62           C  \\nATOM   1230  NH1 ARG A 148      16.699  -7.768  -2.117  1.00 11.46           N  \\nATOM   1231  NH2 ARG A 148      17.889  -8.526  -3.954  1.00  7.84           N  \\nATOM   1232  N   VAL A 149      17.429 -14.750  -0.595  1.00  9.31           N  \\nATOM   1233  CA  VAL A 149      17.599 -16.132  -1.123  1.00  7.43           C  \\nATOM   1234  C   VAL A 149      17.571 -17.102   0.084  1.00  9.63           C  \\nATOM   1235  O   VAL A 149      16.940 -18.198   0.029  1.00 10.27           O  \\nATOM   1236  CB  VAL A 149      18.979 -16.230  -1.786  1.00  8.60           C  \\nATOM   1237  CG1 VAL A 149      19.371 -17.719  -2.042  1.00  8.06           C  \\nATOM   1238  CG2 VAL A 149      18.972 -15.349  -3.090  1.00  7.73           C  \\nATOM   1239  N   ILE A 150      18.222 -16.666   1.177  1.00  9.83           N  \\nATOM   1240  CA  ILE A 150      18.142 -17.430   2.438  1.00 11.08           C  \\nATOM   1241  C   ILE A 150      16.717 -17.579   2.946  1.00 11.53           C  \\nATOM   1242  O   ILE A 150      16.341 -18.670   3.374  1.00 11.02           O  \\nATOM   1243  CB  ILE A 150      19.001 -16.834   3.572  1.00  9.45           C  \\nATOM   1244  CG1 ILE A 150      20.472 -17.088   3.243  1.00  9.95           C  \\nATOM   1245  CG2 ILE A 150      18.662 -17.599   4.911  1.00  7.97           C  \\nATOM   1246  CD1 ILE A 150      21.574 -16.163   4.027  1.00 11.27           C  \\nATOM   1247  N   THR A 151      15.922 -16.493   2.904  1.00 11.17           N  \\nATOM   1248  CA  THR A 151      14.541 -16.602   3.335  1.00 12.11           C  \\nATOM   1249  C   THR A 151      13.775 -17.631   2.473  1.00 12.25           C  \\nATOM   1250  O   THR A 151      12.927 -18.371   3.012  1.00 12.54           O  \\nATOM   1251  CB  THR A 151      13.820 -15.220   3.345  1.00 10.72           C  \\nATOM   1252  OG1 THR A 151      14.267 -14.471   4.478  1.00 13.62           O  \\nATOM   1253  CG2 THR A 151      12.318 -15.372   3.444  1.00 12.40           C  \\nATOM   1254  N   THR A 152      14.103 -17.685   1.177  1.00 11.02           N  \\nATOM   1255  CA  THR A 152      13.506 -18.620   0.217  1.00 11.59           C  \\nATOM   1256  C   THR A 152      13.851 -20.065   0.626  1.00 11.09           C  \\nATOM   1257  O   THR A 152      12.947 -20.915   0.681  1.00 11.15           O  \\nATOM   1258  CB  THR A 152      13.853 -18.286  -1.255  1.00  9.65           C  \\nATOM   1259  OG1 THR A 152      13.605 -16.884  -1.448  1.00 14.45           O  \\nATOM   1260  CG2 THR A 152      12.966 -19.074  -2.258  1.00 12.97           C  \\nATOM   1261  N   PHE A 153      15.141 -20.340   0.843  1.00 11.82           N  \\nATOM   1262  CA  PHE A 153      15.577 -21.606   1.457  1.00 11.41           C  \\nATOM   1263  C   PHE A 153      14.940 -21.933   2.811  1.00 12.38           C  \\nATOM   1264  O   PHE A 153      14.699 -23.136   3.120  1.00 15.74           O  \\nATOM   1265  CB  PHE A 153      17.093 -21.612   1.686  1.00  9.49           C  \\nATOM   1266  CG  PHE A 153      17.896 -21.945   0.481  1.00 10.80           C  \\nATOM   1267  CD1 PHE A 153      18.895 -21.077   0.047  1.00 10.33           C  \\nATOM   1268  CD2 PHE A 153      17.724 -23.180  -0.204  1.00 12.15           C  \\nATOM   1269  CE1 PHE A 153      19.701 -21.401  -1.129  1.00 12.42           C  \\nATOM   1270  CE2 PHE A 153      18.488 -23.533  -1.280  1.00 10.32           C  \\nATOM   1271  CZ  PHE A 153      19.528 -22.634  -1.772  1.00 11.42           C  \\nATOM   1272  N   ARG A 154      14.761 -20.930   3.673  1.00 12.17           N  \\nATOM   1273  CA AARG A 154      14.271 -21.230   5.013  0.50 12.64           C  \\nATOM   1274  CA BARG A 154      14.265 -21.155   5.019  0.50 12.11           C  \\nATOM   1275  C   ARG A 154      12.793 -21.588   4.990  1.00 11.62           C  \\nATOM   1276  O   ARG A 154      12.371 -22.461   5.725  1.00 11.54           O  \\nATOM   1277  CB AARG A 154      14.542 -20.110   6.040  0.50 12.03           C  \\nATOM   1278  CB BARG A 154      14.448 -19.882   5.864  0.50 11.14           C  \\nATOM   1279  CG AARG A 154      14.117 -20.513   7.498  0.50 12.79           C  \\nATOM   1280  CG BARG A 154      14.519 -20.121   7.388  0.50 12.64           C  \\nATOM   1281  CD AARG A 154      14.231 -19.378   8.534  0.50 13.25           C  \\nATOM   1282  CD BARG A 154      14.774 -18.832   8.189  0.50 10.89           C  \\nATOM   1283  NE AARG A 154      13.509 -18.163   8.171  0.50 14.10           N  \\nATOM   1284  NE BARG A 154      13.826 -17.758   7.886  0.50 13.71           N  \\nATOM   1285  CZ AARG A 154      12.194 -17.951   8.305  0.50 14.90           C  \\nATOM   1286  CZ BARG A 154      14.100 -16.680   7.145  0.50 13.45           C  \\nATOM   1287  NH1AARG A 154      11.388 -18.878   8.810  0.50 15.25           N  \\nATOM   1288  NH1BARG A 154      15.317 -16.513   6.641  0.50 14.29           N  \\nATOM   1289  NH2AARG A 154      11.679 -16.787   7.913  0.50 13.29           N  \\nATOM   1290  NH2BARG A 154      13.152 -15.754   6.927  0.50 14.08           N  \\nATOM   1291  N   THR A 155      12.024 -20.943   4.130  1.00 13.12           N  \\nATOM   1292  CA  THR A 155      10.549 -21.026   4.177  1.00 13.94           C  \\nATOM   1293  C   THR A 155       9.908 -21.788   3.051  1.00 14.32           C  \\nATOM   1294  O   THR A 155       8.759 -22.167   3.193  1.00 14.45           O  \\nATOM   1295  CB  THR A 155       9.926 -19.631   4.155  1.00 13.49           C  \\nATOM   1296  OG1 THR A 155      10.251 -19.012   2.897  1.00 15.46           O  \\nATOM   1297  CG2 THR A 155      10.442 -18.703   5.338  1.00 13.53           C  \\nATOM   1298  N   GLY A 156      10.633 -21.942   1.928  1.00 13.63           N  \\nATOM   1299  CA  GLY A 156      10.174 -22.488   0.706  1.00 11.64           C  \\nATOM   1300  C   GLY A 156       8.986 -21.701   0.179  1.00 11.69           C  \\nATOM   1301  O   GLY A 156       8.126 -22.272  -0.423  1.00 12.57           O  \\nATOM   1302  N   THR A 157       8.932 -20.389   0.508  1.00 10.85           N  \\nATOM   1303  CA  THR A 157       7.887 -19.474   0.069  1.00 11.02           C  \\nATOM   1304  C   THR A 157       8.547 -18.365  -0.713  1.00 10.31           C  \\nATOM   1305  O   THR A 157       9.768 -18.252  -0.731  1.00 10.58           O  \\nATOM   1306  CB  THR A 157       7.146 -18.727   1.212  1.00 11.05           C  \\nATOM   1307  OG1 THR A 157       8.033 -17.802   1.905  1.00 15.11           O  \\nATOM   1308  CG2 THR A 157       6.431 -19.683   2.169  1.00 11.04           C  \\nATOM   1309  N   TRP A 158       7.732 -17.524  -1.327  1.00 10.88           N  \\nATOM   1310  CA  TRP A 158       8.245 -16.440  -2.129  1.00 11.92           C  \\nATOM   1311  C   TRP A 158       8.123 -15.117  -1.329  1.00 11.55           C  \\nATOM   1312  O   TRP A 158       8.063 -14.022  -1.898  1.00 13.28           O  \\nATOM   1313  CB  TRP A 158       7.465 -16.359  -3.418  1.00 11.93           C  \\nATOM   1314  CG  TRP A 158       7.822 -17.470  -4.450  1.00 12.74           C  \\nATOM   1315  CD1 TRP A 158       6.994 -18.416  -4.898  1.00 13.77           C  \\nATOM   1316  CD2 TRP A 158       9.073 -17.655  -5.122  1.00 15.01           C  \\nATOM   1317  NE1 TRP A 158       7.622 -19.198  -5.820  1.00 14.08           N  \\nATOM   1318  CE2 TRP A 158       8.911 -18.751  -5.989  1.00 11.00           C  \\nATOM   1319  CE3 TRP A 158      10.330 -16.968  -5.102  1.00  8.15           C  \\nATOM   1320  CZ2 TRP A 158       9.950 -19.223  -6.823  1.00  9.81           C  \\nATOM   1321  CZ3 TRP A 158      11.341 -17.430  -5.941  1.00 10.77           C  \\nATOM   1322  CH2 TRP A 158      11.147 -18.560  -6.783  1.00 12.63           C  \\nATOM   1323  N   ASP A 159       8.038 -15.239  -0.012  1.00 11.99           N  \\nATOM   1324  CA  ASP A 159       7.758 -14.091   0.811  1.00 13.38           C  \\nATOM   1325  C   ASP A 159       8.791 -12.976   0.590  1.00 13.72           C  \\nATOM   1326  O   ASP A 159       8.420 -11.809   0.534  1.00 12.07           O  \\nATOM   1327  CB  ASP A 159       7.776 -14.531   2.270  1.00 14.76           C  \\nATOM   1328  CG  ASP A 159       6.512 -15.215   2.649  1.00 17.82           C  \\nATOM   1329  OD1 ASP A 159       5.653 -15.352   1.752  1.00 17.18           O  \\nATOM   1330  OD2 ASP A 159       6.407 -15.595   3.819  1.00 25.15           O  \\nATOM   1331  N   ALA A 160      10.058 -13.327   0.343  1.00 11.99           N  \\nATOM   1332  CA  ALA A 160      11.091 -12.278   0.261  1.00 11.80           C  \\nATOM   1333  C   ALA A 160      11.050 -11.555  -1.056  1.00 12.16           C  \\nATOM   1334  O   ALA A 160      11.750 -10.588  -1.236  1.00 11.65           O  \\nATOM   1335  CB  ALA A 160      12.506 -12.910   0.484  1.00 10.51           C  \\nATOM   1336  N   TYR A 161      10.216 -12.014  -2.004  1.00 14.08           N  \\nATOM   1337  CA  TYR A 161      10.175 -11.432  -3.346  1.00 14.80           C  \\nATOM   1338  C   TYR A 161       8.774 -10.867  -3.685  1.00 18.27           C  \\nATOM   1339  O   TYR A 161       8.596 -10.195  -4.714  1.00 18.91           O  \\nATOM   1340  CB  TYR A 161      10.570 -12.489  -4.414  1.00 14.76           C  \\nATOM   1341  CG  TYR A 161      12.018 -12.852  -4.385  1.00 12.49           C  \\nATOM   1342  CD1 TYR A 161      12.490 -13.904  -3.579  1.00 11.83           C  \\nATOM   1343  CD2 TYR A 161      12.928 -12.124  -5.112  1.00 10.82           C  \\nATOM   1344  CE1 TYR A 161      13.846 -14.213  -3.515  1.00 10.92           C  \\nATOM   1345  CE2 TYR A 161      14.310 -12.395  -5.068  1.00  8.48           C  \\nATOM   1346  CZ  TYR A 161      14.754 -13.457  -4.262  1.00 12.20           C  \\nATOM   1347  OH  TYR A 161      16.096 -13.759  -4.188  1.00 12.18           O  \\nATOM   1348  N   LYS A 162       7.786 -11.082  -2.826  0.50 18.90           N  \\nATOM   1349  CA  LYS A 162       6.443 -11.100  -3.371  0.50 19.75           C  \\nATOM   1350  C   LYS A 162       5.807  -9.773  -3.856  0.50 20.49           C  \\nATOM   1351  O   LYS A 162       5.003  -9.833  -4.775  0.50 20.39           O  \\nATOM   1352  CB  LYS A 162       5.494 -12.080  -2.646  0.50 19.69           C  \\nATOM   1353  CG  LYS A 162       5.382 -11.924  -1.136  0.50 20.78           C  \\nATOM   1354  CD  LYS A 162       4.505 -13.051  -0.566  0.50 19.81           C  \\nATOM   1355  CE  LYS A 162       3.705 -12.529   0.595  0.50 18.08           C  \\nATOM   1356  NZ  LYS A 162       2.689 -13.534   1.027  0.50 21.58           N  \\nATOM   1357  N   ASN A 163       6.166  -8.586  -3.355  0.50 21.64           N  \\nATOM   1358  CA  ASN A 163       6.996  -8.322  -2.203  0.50 23.15           C  \\nATOM   1359  C   ASN A 163       6.211  -7.397  -1.262  0.50 24.32           C  \\nATOM   1360  O   ASN A 163       6.241  -6.164  -1.395  0.50 24.66           O  \\nATOM   1361  CB  ASN A 163       8.345  -7.659  -2.590  0.50 24.09           C  \\nATOM   1362  CG  ASN A 163       8.264  -6.773  -3.876  0.50 24.52           C  \\nATOM   1363  OD1 ASN A 163       7.180  -6.439  -4.355  0.50 26.98           O  \\nATOM   1364  ND2 ASN A 163       9.430  -6.410  -4.423  0.50 24.01           N  \\nTER    1365      ASN A 163                                                       \\nEND\",\"pdb\");\n",
       "\tviewer_17198354657402534.setStyle({\"model\": 0},{\"cartoon\": {\"color\": \"white\", \"opacity\": 1, \"singleBonds\": false}});\n",
       "\tviewer_17198354657402534.addSurface(\"SES\",{\"colorscheme\": {\"prop\": \"resn\", \"map\": {\"ALA\": \"#4cff4c\", \"ARG\": \"#ffffff\", \"ASN\": \"#e2ffe2\", \"ASP\": \"#e2ffe2\", \"CYS\": \"#38ff38\", \"GLN\": \"#e2ffe2\", \"GLU\": \"#e2ffe2\", \"GLY\": \"#8aff8a\", \"HIS\": \"#daffda\", \"ILE\": \"#00ff00\", \"LEU\": \"#13ff13\", \"LYS\": \"#eeffee\", \"MET\": \"#49ff49\", \"PHE\": \"#30ff30\", \"PRO\": \"#acffac\", \"SER\": \"#96ff96\", \"THR\": \"#93ff93\", \"TRP\": \"#99ff99\", \"TYR\": \"#a4ffa4\", \"VAL\": \"#08ff08\"}}, \"opacity\": 1, \"singleBonds\": false},{\"model\": 0});\n",
       "\tviewer_17198354657402534.setBackgroundColor(\"0xFFFFFF\");\n",
       "\tviewer_17198354657402534.setProjection(\"orthographic\");\n",
       "\tviewer_17198354657402534.zoomTo({\"model\": -1});\n",
       "viewer_17198354657402534.render();\n",
       "});\n",
       "</script>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "-------------------------------------------------------\n",
      "Less                HYDROPHOBICITY                 More\n",
      "-------------------------------------------------------\n"
     ]
    },
    {
     "data": {
      "image/png": "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",
      "text/plain": [
       "<Figure size 485x25 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "# @title **Visualise 3D protein structure**\n",
    "# @markdown Enter the **< Protein >** to be viewed.\n",
    "\n",
    "#View = '3HTB_prot_A' # @param {type: 'string'}\n",
    "View = Accession_ID + '_prot_A'\n",
    "Representation_type = 'cartoon' # @param ['cartoon', 'cross', 'line', 'sphere', 'stick']\n",
    "Representation_style = 'white' # @param ['chain', 'white', 'whiteCarbon', 'ssJmol', 'ssPyMol', 'b factor', 'hydrophobicity', 'isoelectric points']\n",
    "Representation_opacity = 1 # @param {type: 'slider', min:0, max:1, step:0.1}\n",
    "Residue_number = '' # @param {type: 'string'}\n",
    "Surface_type = 'SES' # @param ['VDW', 'SAS', 'SES', 'MS']\n",
    "Surface_style = 'hydrophobicity' # @param ['chain', 'white', 'whiteCarbon', 'ssJmol', 'ssPyMol', 'b factor', 'hydrophobicity', 'isoelectric points']\n",
    "Surface_opacity = 1 # @param {type: 'slider', min:0, max:1, step:0.1}\n",
    "Show_representation = True # @param {type: 'boolean'}\n",
    "Show_residue = False # @param {type: 'boolean'}\n",
    "Show_surface = True # @param {type: 'boolean'}\n",
    "\n",
    "PROT_view_pFile = os.path.join(PRT_FLD, View + '.pdb')\n",
    "\n",
    "LBSP = LaboSpace(960, 640)\n",
    "LBSP.load_receptor(PROT_view_pFile)\\\n",
    "    .set_style(\n",
    "        show_represent=Show_representation,\n",
    "        represent_type=Representation_type,\n",
    "        represent_style=builtin_style(\n",
    "            style=Representation_style,\n",
    "            opacity=Representation_opacity))\\\n",
    "    .add_residues(\n",
    "        show_residues=Show_residue,\n",
    "        residue_number=Residue_number)\\\n",
    "    .add_surface(\n",
    "        show_surface=Show_surface,\n",
    "        surface_type=Surface_type,\n",
    "        surface_style=builtin_style(\n",
    "            style=Surface_style,\n",
    "            opacity=Surface_opacity))\n",
    "LBSP.view_space()\n",
    "\n",
    "show_cscale(\n",
    "    {Show_representation: Representation_style},\n",
    "    {Show_surface: Surface_style})"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "SDRJdQ7bkB6z",
    "outputId": "8bd24c38-d941-47ec-b6c1-0548b78bb05b",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ Parameterisation: 3HTB_prot_A.pdb > 3HTB_prot_A.pdbqt\n",
      "+ 3HTB_prot_A.pdbqt > DOCKING folder\n",
      "+ 3HTB_prot_A.pdb > DOCKING folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Parameterise protein with Gasteiger charges**\n",
    "# @markdown Enter the **< Target Protein >** to be parameterised.\\\n",
    "# @markdown This generate a **`protein.pdbqt`** file after:\n",
    "# @markdown + Addition of Gasteiger Partial Charge\n",
    "# @markdown + Addition of polar hydrogens\n",
    "# @markdown + Removal of non-polar hydrogens\n",
    "\n",
    "#Target_protein = '3HTB_prot_A' # @param {type: 'string'}\n",
    "Target_protein = Accession_ID + '_prot_A'\n",
    "PROT_pdb = Target_protein + '.pdb'\n",
    "PROT_pdbqt = Target_protein + '.pdbqt'\n",
    "PROT_pdb_pFile = os.path.join(PRT_FLD, PROT_pdb)\n",
    "PROT_pdb_dFile = os.path.join(DCK_FLD, PROT_pdb)\n",
    "PROT_pdbqt_dFile = os.path.join(DCK_FLD, PROT_pdbqt)\n",
    "\n",
    "!obabel {PROT_pdb_pFile} -xr -O {PROT_pdbqt_dFile} -h --partialcharge gasteiger > /dev/null 2>&1\n",
    "!mk_prepare_receptor.py --pdbqt {PROT_pdbqt_dFile} -o {PROT_pdbqt_dFile} --skip_gpf > /dev/null 2>&1\n",
    "print(f'+ Parameterisation: {PROT_pdb} > {PROT_pdbqt}')\n",
    "\n",
    "shutil.copy(PROT_pdb_pFile, PROT_pdb_dFile)\n",
    "print(f'+ {PROT_pdbqt} > DOCKING folder')\n",
    "print(f'+ {PROT_pdb} > DOCKING folder')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "JdKt0KAL7QRG",
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "---\n",
    "---\n",
    "# **03 | Preparing the Native Ligand** (optional)\n",
    "\n",
    "Next, we retrieve the native ligand from the **`pdb`** file to serve as a reference for later comparison. Noted that **this step is optional** as not all **`pdb`** files contain native ligand. However, we highly recommend proceeding with this step for an insightful visual (3D inspection) and qualtitative (RMSD) comparison of binding pose."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "LHAremEDIR7p",
    "outputId": "91fb7d91-3aea-4ec2-9885-de25ee1559fe",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ RCSB PDB link: https://www.rcsb.org/ligand/JZ4\n",
      "+ Entity extracted: JZ4.pdb > NATIVE folder\n",
      "+ Chains detected: 1 (A)\n",
      "+ Chain extracted: JZ4_A.pdb > NATIVE folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Retrieve native ligand and extract subunits**\n",
    "# @markdown Enter the **< Keyword >** assigned for query \\\n",
    "# @markdown This generates a **clean** native ligand structure containing multiple\n",
    "# @markdown binding poses corresponding to each protein subunit(s). \\\n",
    "# @markdown The binding poses are then extracted and corrected into individual\n",
    "# @markdown **`pdb`** files.\n",
    "\n",
    "#Keyword = 'JZ4' # @param {type: 'string'}\n",
    "Keyword = Native_lig\n",
    "def get_molblock(keyword: str) -> str:\n",
    "    url_path = 'http://files.rcsb.org/ligands/download/' + keyword + '_model.sdf'\n",
    "    sdf_file = os.path.join(NTV_FLD, keyword + '.sdf')\n",
    "    os.system(f'wget {url_path} -O {sdf_file} -q')\n",
    "    molblock = [mol for mol in  Chem.SDMolSupplier(sdf_file) if mol is not None][0]\n",
    "    os.remove(sdf_file)\n",
    "    return molblock\n",
    "\n",
    "def correct_bond_order(inpt_list: list, temp: Chem.rdchem.Mol) -> None:\n",
    "    for inpt_file in inpt_list:\n",
    "        targ = AllChem.MolFromPDBFile(inpt_file)\n",
    "        cmol = AllChem.AssignBondOrdersFromTemplate(temp, targ)\n",
    "        pdbb = Chem.MolToPDBBlock(cmol, flavor=4)\n",
    "        with open(inpt_file, 'w') as oupt:\n",
    "            oupt.write(pdbb)\n",
    "\n",
    "true_id = Keyword[-3:] if len(Keyword) > 3 else Keyword\n",
    "print(f'+ RCSB PDB link: https://www.rcsb.org/ligand/{true_id}')\n",
    "\n",
    "ntv_pdb = Keyword.upper() + '.pdb'\n",
    "ntv_pdb_nFile = os.path.join(NTV_FLD, ntv_pdb)\n",
    "extract_entity(PDB_pdb_pFile, ntv_pdb_nFile, [Keyword, 'HETATM'])\n",
    "extract_chains(ntv_pdb_nFile)\n",
    "\n",
    "ntv_nFiles = sorted(glob.glob(NTV_FLD + '/' + Keyword + '_*.pdb'))\n",
    "ntv_smiles = get_molblock(true_id)\n",
    "correct_bond_order(ntv_nFiles, ntv_smiles)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/",
     "height": 657
    },
    "id": "vqfYDslyFY-N",
    "outputId": "25e6943b-c905-4909-c864-f41c3bae0b11",
    "tags": []
   },
   "outputs": [
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       "        <tt>jupyter labextension install jupyterlab_3dmol</tt></p>\n",
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     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "# @title **Visualise 3D native ligand**\n",
    "# @markdown Enter the **< Native Ligand >** to be viewed.\n",
    "\n",
    "#View = 'JZ4_A' # @param {type: 'string'}\n",
    "View = Native_lig + '_A'\n",
    "Representation_type = 'stick' # @param ['line', 'sphere', 'stick']\n",
    "Show_atom_labels = False # @param {type: 'boolean'}\n",
    "\n",
    "NTV_view_nFile = os.path.join(NTV_FLD, View + '.pdb')\n",
    "\n",
    "LBSP = LaboSpace(960, 640)\n",
    "LBSP.load_ligand(NTV_view_nFile)\\\n",
    "    .set_style(\n",
    "        show_represent=True,\n",
    "        represent_type=Representation_type,\n",
    "        represent_style={'colorscheme': 'lightGreyCarbon'})\\\n",
    "    .label_atoms(\n",
    "        show_label=Show_atom_labels)\n",
    "LBSP.view_space()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "IlAlwF3rUfet",
    "outputId": "d954dbd9-17d1-4278-d438-7ac521700746",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ JZ4_A.pdb > DOCKING folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Select native ligand**\n",
    "# @markdown Enter the **< Target Native Ligand >** for later comparison.\n",
    "\n",
    "#Target_native_ligand = 'JZ4_A' # @param {type: 'string'}\n",
    "Target_native_ligand = Native_lig + '_A'\n",
    "NTV_pdb = Target_native_ligand + '.pdb'\n",
    "NTV_pdb_nFile = os.path.join(NTV_FLD, NTV_pdb)\n",
    "NTV_pdb_dFile = os.path.join(DCK_FLD, NTV_pdb)\n",
    "\n",
    "shutil.copy(NTV_pdb_nFile, NTV_pdb_dFile)\n",
    "print(f'+ {NTV_pdb} > DOCKING folder')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "_tluzw-AJrEa",
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "---\n",
    "---\n",
    "# **04 | Preparing the Ligand**\n",
    "\n",
    "Now, we start to prepare our ligand of interest. We will be using its SMILES notation to generate a 3D energetically minimised ligand **`sd`** file based on specifed force field and steepest gradient alogrithm. We also parameterise our target ligand to generate the **`pdbqt`** file required for docking."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "T2jsTHBFbY1w",
    "outputId": "5359eb43-1b1a-4256-b7f6-3044b994d50a",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ Ligand 'small' with 'c1ccccc1' ready for SDF generation\n"
     ]
    }
   ],
   "source": [
    "# @title **Provide ligand information**\n",
    "# @markdown Enter the **< ID >** and its **< SMILES >** notation.\n",
    "\n",
    "ID = 'small' # @param {type: 'string'}\n",
    "SMILES = smiles # @param {type: 'string'}\n",
    "\n",
    "assert ID.strip(), 'Expected \\'ID\\'; found \\'none\\''\n",
    "assert SMILES.strip(), 'Expected \\'SMILES\\'; found \\'none\\''\n",
    "\n",
    "print(f'+ Ligand \\'{ID}\\' with \\'{SMILES}\\' ready for SDF generation')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "8623P-E6J1Fg",
    "outputId": "11a37e3c-2f31-4aeb-f8bb-9301f014d52d",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ Selected UFF for energy minimisation up to 0.00001 iteration difference or at most 10,000 steps\n",
      "+ Steepest gradient has converged (20 steps)\n",
      "+ small.sdf > LIGAND folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Generate ligand SD file**\n",
    "# @markdown Select **< Force Field >** to set MM method for energy minimisation. \\\n",
    "# @markdown Select **< Convergence Criteria >** to set minimum iteration difference required before stopping. **[ Default is 0.00001 ]** \\\n",
    "# @markdown Select **< Maximum Steps >** to set maximum iterations allowed for minimisation. **[ Default is 10000 ]**\n",
    "\n",
    "Force_field = 'UFF' # @param ['GAFF', 'Ghemical', 'MMFF94', 'MMFF94s', 'UFF']\n",
    "Convergence_criteria = '0.00001' # @param ['0.1', '0.01','0.001', '0.0001', '0.00001', '0.000001', '0.0000001']\n",
    "Maximum_steps = 10000 # @param {type: 'slider', min:1000, max:100000, step:1000}\n",
    "\n",
    "def check_convergence(log_file: str) -> None:\n",
    "    with open(log_file, 'r') as inpt:\n",
    "        data = inpt.read()\n",
    "    if 'CONVERGED' in data:\n",
    "        verb = 'has'\n",
    "        step = data.split('\\n')[-4].split()[0]\n",
    "        step_str = f'({step} steps)'\n",
    "    else:\n",
    "        verb = 'has not'\n",
    "        step_str = ''\n",
    "    print(f'+ Steepest gradient {verb} converged {step_str}')\n",
    "\n",
    "LIG_ID = ID\n",
    "LIG_sdf = LIG_ID + '.sdf'\n",
    "LIG_obmin_log = LIG_ID + '_obmin.log'\n",
    "LIG_sdf_lFile = os.path.join(LIG_FLD, LIG_sdf)\n",
    "LIG_obmin_log_lFile = os.path.join(LIG_FLD, LIG_obmin_log)\n",
    "\n",
    "print(f'+ Selected {Force_field} for energy minimisation '\n",
    "      f'up to {Convergence_criteria} iteration difference or '\n",
    "      f'at most {Maximum_steps:,} steps')\n",
    "\n",
    "!obabel -:{'\"'+SMILES+'\"'} -O {LIG_sdf_lFile} --title {LIG_ID} --gen3d \\\n",
    "--best --minimize --ff {Force_field} --steps {Maximum_steps} --sd \\\n",
    "--crit {Convergence_criteria} --log &> {LIG_obmin_log_lFile}\n",
    "\n",
    "check_convergence(LIG_obmin_log_lFile)\n",
    "print(f'+ {LIG_sdf} > LIGAND folder')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {
    "cellView": "form",
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     "base_uri": "https://localhost:8080/",
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    },
    "id": "UtBrkZ-Pg1hQ",
    "outputId": "afdbecc9-a515-40a7-ba58-22a3970aeb5e",
    "tags": []
   },
   "outputs": [
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       "        <tt>jupyter labextension install jupyterlab_3dmol</tt></p>\n",
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       "</script>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "# @title **Visualise 3D ligand**\n",
    "# @markdown Enter the **< Ligand >** to be viewed.\n",
    "\n",
    "View = 'small' # @param {type: 'string'}\n",
    "Representation_type = 'stick' # @param ['line', 'sphere', 'stick']\n",
    "Show_atom_labels = False # @param {type: 'boolean'}\n",
    "\n",
    "LIG_view_lFile = os.path.join(LIG_FLD, View + '.sdf')\n",
    "\n",
    "LBSP = LaboSpace(960, 640)\n",
    "LBSP.load_ligand(LIG_view_lFile)\\\n",
    "    .set_style(\n",
    "        show_represent=True,\n",
    "        represent_type=Representation_type,\n",
    "        represent_style={'colorScheme': 'lightGreyCarbon'})\\\n",
    "    .label_atoms(\n",
    "        show_label=Show_atom_labels)\n",
    "LBSP.view_space()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "Qgp6BDDymQtX",
    "outputId": "f2f23f20-8e3e-4eaa-f9d2-4f689818608b",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ Parameterisation: small.sdf > small.pdbqt\n",
      "+ small.pdbqt > DOCKING folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Parameterise ligand with Gasteiger charges**\n",
    "# @markdown This generates a **`ligand.pdbqt`** file after:\n",
    "# @markdown + Addition of Gasteiger Partial Charge\n",
    "# @markdown + Removal of non-polar hydrogens\n",
    "\n",
    "def pdbqt_add_chid(inpt_file: str) -> None:\n",
    "    with open(inpt_file, 'r') as inpt:\n",
    "        data = inpt.read()\n",
    "    new_data = data.replace('  UNL  ', '  UNL A')\n",
    "    with open(inpt_file, 'w') as oupt:\n",
    "        oupt.write(new_data)\n",
    "\n",
    "LIG_pdbqt = ID + '.pdbqt'\n",
    "LIG_dFLD = os.path.join(DCK_FLD, ID)\n",
    "LIG_pdbqt_dFFile = os.path.join(LIG_dFLD, LIG_pdbqt)\n",
    "\n",
    "os.makedirs(LIG_dFLD, exist_ok=True)\n",
    "!mk_prepare_ligand.py -i {LIG_sdf_lFile} -o {LIG_pdbqt_dFFile} > /dev/null 2>&1\n",
    "pdbqt_add_chid(LIG_pdbqt_dFFile)\n",
    "\n",
    "print(f'+ Parameterisation: {LIG_sdf} > {LIG_pdbqt}')\n",
    "print(f'+ {LIG_pdbqt} > DOCKING folder')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "LMf2ZMMIHrxq",
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "---\n",
    "---\n",
    "# **05 | Setting Up Grid Box**\n",
    "\n",
    "Here, we define a chemical search space with the use of grid box, which often centered within the binding, active or allosteric site of the target protein."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "sZ8FYg49IDQR"
   },
   "source": [
    "Built-in methods for defining grid box include:\n",
    "\n",
    "+ **`LaBOX`** : Use the mean of XYZ extreme values from native ligand. [Link](https://github.com/RyanZR/LaBOX)\n",
    "+ **`eBoxSize`** : Use the radius of gyration of native ligand. [Link](https://github.com/michal-brylinski/eboxsize)\n",
    "+ **`eBoxSize-Mod`** : Similar to eBoxSize, but box center is computed using LaBOX method.\n",
    "+ **`Autodock-Grid`** : 22.5 × 22.5 × 22.5 Å\n",
    "+ **`Defined-by-Res`** : Use when important residues involved in binding interaction are known.\n",
    "+ **`Manual-Mode`** : Use the sliders below to define grid box."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/",
     "height": 677
    },
    "id": "cQooGBRdHrez",
    "outputId": "3639ebff-15d3-4a13-f96a-d57807c7f419",
    "tags": []
   },
   "outputs": [
    {
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\\nATOM      7  CB BMET A   1       7.591 -15.959  -7.473  0.50 16.50           C  \\nATOM      8  CG AMET A   1       9.121 -15.214  -7.502  0.50 15.40           C  \\nATOM      9  CG BMET A   1       7.587 -14.631  -6.772  0.50 17.53           C  \\nATOM     10  SD AMET A   1       9.709 -13.669  -8.227  0.50 14.04           S  \\nATOM     11  SD BMET A   1       8.595 -13.375  -7.571  0.50 24.67           S  \\nATOM     12  CE AMET A   1       8.304 -12.536  -8.057  0.50 10.74           C  \\nATOM     13  CE BMET A   1      10.121 -14.299  -7.810  0.50 22.50           C  \\nATOM     14  N   ASN A   2       8.696 -17.109 -10.221  1.00 13.04           N  \\nATOM     15  CA  ASN A   2       9.444 -18.214 -10.830  1.00 11.28           C  \\nATOM     16  C   ASN A   2      10.923 -17.749 -10.851  1.00 11.13           C  \\nATOM     17  O   ASN A   2      11.262 -16.586 -10.453  1.00  8.10           O  \\nATOM     18  CB  ASN A   2       8.903 -18.572 -12.242  1.00 11.33           C  \\nATOM     19  CG  ASN A   2       8.979 -17.384 -13.226  1.00 13.64           C  \\nATOM     20  OD1 ASN A   2      10.036 -16.854 -13.455  1.00  9.75           O  \\nATOM     21  ND2 ASN A   2       7.826 -16.975 -13.804  1.00 12.13           N  \\nATOM     22  N   ILE A   3      11.803 -18.653 -11.255  1.00  9.44           N  \\nATOM     23  CA  ILE A   3      13.215 -18.370 -11.247  1.00  9.32           C  \\nATOM     24  C   ILE A   3      13.649 -17.195 -12.132  1.00  7.70           C  \\nATOM     25  O   ILE A   3      14.597 -16.489 -11.782  1.00  9.80           O  \\nATOM     26  CB  ILE A   3      14.010 -19.669 -11.653  1.00  9.07           C  \\nATOM     27  CG1 ILE A   3      15.522 -19.542 -11.375  1.00  8.89           C  \\nATOM     28  CG2 ILE A   3      13.701 -20.044 -13.127  1.00  9.00           C  \\nATOM     29  CD1 ILE A   3      16.021 -18.938 -10.040  1.00 10.83           C  \\nATOM     30  N   PHE A   4      12.976 -16.982 -13.265  1.00  8.60           N  \\nATOM     31  CA  PHE A   4      13.313 -15.827 -14.061  1.00  8.69           C  \\nATOM     32  C   PHE A   4      12.939 -14.559 -13.370  1.00  9.89           C  \\nATOM     33  O   PHE A   4      13.695 -13.598 -13.393  1.00  9.06           O  \\nATOM     34  CB  PHE A   4      12.680 -15.895 -15.481  1.00  8.95           C  \\nATOM     35  CG  PHE A   4      13.207 -17.104 -16.277  1.00 11.87           C  \\nATOM     36  CD1 PHE A   4      12.684 -18.381 -16.087  1.00 12.45           C  \\nATOM     37  CD2 PHE A   4      14.252 -16.959 -17.165  1.00 10.91           C  \\nATOM     38  CE1 PHE A   4      13.203 -19.507 -16.757  1.00 10.97           C  \\nATOM     39  CE2 PHE A   4      14.737 -18.073 -17.875  1.00 13.68           C  \\nATOM     40  CZ  PHE A   4      14.194 -19.334 -17.662  1.00 13.03           C  \\nATOM     41  N   GLU A   5      11.735 -14.528 -12.804  1.00  9.90           N  \\nATOM     42  CA  GLU A   5      11.306 -13.288 -12.184  1.00 10.93           C  \\nATOM     43  C   GLU A   5      12.211 -12.996 -10.954  1.00  9.58           C  \\nATOM     44  O   GLU A   5      12.515 -11.866 -10.632  1.00  9.92           O  \\nATOM     45  CB  GLU A   5       9.901 -13.444 -11.758  1.00  9.58           C  \\nATOM     46  CG  GLU A   5       8.948 -13.592 -12.964  1.00 15.91           C  \\nATOM     47  CD  GLU A   5       7.492 -13.611 -12.523  1.00 20.54           C  \\nATOM     48  OE1 GLU A   5       7.233 -13.319 -11.345  1.00 25.87           O  \\nATOM     49  OE2 GLU A   5       6.590 -13.885 -13.346  1.00 24.46           O  \\nATOM     50  N   MET A   6      12.558 -14.075 -10.256  1.00 10.80           N  \\nATOM     51  CA  MET A   6      13.414 -13.998  -9.100  1.00 11.41           C  \\nATOM     52  C   MET A   6      14.747 -13.416  -9.466  1.00  9.30           C  \\nATOM     53  O   MET A   6      15.191 -12.450  -8.826  1.00 12.93           O  \\nATOM     54  CB  MET A   6      13.592 -15.388  -8.488  1.00 10.41           C  \\nATOM     55  CG  MET A   6      14.245 -15.365  -7.093  1.00 12.68           C  \\nATOM     56  SD  MET A   6      14.896 -16.987  -6.864  1.00 11.50           S  \\nATOM     57  CE  MET A   6      15.143 -17.019  -5.053  1.00 14.29           C  \\nATOM     58  N   LEU A   7      15.419 -14.013 -10.450  1.00  9.60           N  \\nATOM     59  CA  LEU A   7      16.760 -13.572 -10.840  1.00  9.70           C  \\nATOM     60  C   LEU A   7      16.725 -12.198 -11.446  1.00 10.08           C  \\nATOM     61  O   LEU A   7      17.663 -11.405 -11.248  1.00 10.17           O  \\nATOM     62  CB  LEU A   7      17.456 -14.566 -11.767  1.00  9.47           C  \\nATOM     63  CG  LEU A   7      18.050 -15.641 -10.882  1.00  9.83           C  \\nATOM     64  CD1 LEU A   7      18.407 -16.854 -11.660  1.00 11.30           C  \\nATOM     65  CD2 LEU A   7      19.263 -15.036 -10.178  1.00  7.37           C  \\nATOM     66  N   ARG A   8      15.623 -11.872 -12.125  1.00 10.56           N  \\nATOM     67  CA  ARG A   8      15.486 -10.533 -12.730  1.00 10.46           C  \\nATOM     68  C   ARG A   8      15.430  -9.437 -11.619  1.00 11.05           C  \\nATOM     69  O   ARG A   8      15.999  -8.357 -11.787  1.00 11.99           O  \\nATOM     70  CB  ARG A   8      14.207 -10.427 -13.573  1.00  9.24           C  \\nATOM     71  CG  ARG A   8      13.842  -8.998 -13.962  1.00  8.95           C  \\nATOM     72  CD  ARG A   8      14.682  -8.440 -15.117  1.00 10.45           C  \\nATOM     73  NE  ARG A   8      14.315  -7.024 -15.407  1.00 17.11           N  \\nATOM     74  CZ  ARG A   8      14.510  -5.992 -14.572  1.00 17.32           C  \\nATOM     75  NH1 ARG A   8      15.075  -6.150 -13.368  1.00 19.70           N  \\nATOM     76  NH2 ARG A   8      14.103  -4.781 -14.898  1.00 21.76           N  \\nATOM     77  N   ILE A   9      14.727  -9.723 -10.513  1.00 10.05           N  \\nATOM     78  CA  ILE A   9      14.736  -8.832  -9.354  1.00 11.98           C  \\nATOM     79  C   ILE A   9      16.184  -8.699  -8.794  1.00 10.19           C  \\nATOM     80  O   ILE A   9      16.685  -7.599  -8.621  1.00 11.01           O  \\nATOM     81  CB  ILE A   9      13.745  -9.307  -8.310  1.00 11.81           C  \\nATOM     82  CG1 ILE A   9      12.295  -8.991  -8.792  1.00 11.16           C  \\nATOM     83  CG2 ILE A   9      14.127  -8.715  -6.901  1.00 13.13           C  \\nATOM     84  CD1 ILE A   9      11.180  -9.833  -8.105  1.00 11.02           C  \\nATOM     85  N   ASP A  10      16.875  -9.822  -8.643  1.00  9.37           N  \\nATOM     86  CA  ASP A  10      18.185  -9.878  -7.994  1.00 10.57           C  \\nATOM     87  C   ASP A  10      19.311  -9.308  -8.857  1.00 10.86           C  \\nATOM     88  O   ASP A  10      20.255  -8.693  -8.331  1.00 10.88           O  \\nATOM     89  CB  ASP A  10      18.506 -11.300  -7.545  1.00  8.71           C  \\nATOM     90  CG  ASP A  10      17.731 -11.697  -6.281  1.00 10.36           C  \\nATOM     91  OD1 ASP A  10      17.176 -10.813  -5.602  1.00 12.18           O  \\nATOM     92  OD2 ASP A  10      17.610 -12.911  -5.989  1.00 15.40           O  \\nATOM     93  N   GLU A  11      19.154  -9.412 -10.175  1.00 10.35           N  \\nATOM     94  CA  GLU A  11      20.297  -9.178 -11.071  1.00  9.98           C  \\nATOM     95  C   GLU A  11      20.085  -7.849 -11.752  1.00 11.17           C  \\nATOM     96  O   GLU A  11      21.027  -7.244 -12.149  1.00 10.89           O  \\nATOM     97  CB  GLU A  11      20.423 -10.284 -12.090  1.00 11.45           C  \\nATOM     98  CG  GLU A  11      20.983 -11.570 -11.540  1.00  8.72           C  \\nATOM     99  CD  GLU A  11      22.331 -11.403 -10.856  1.00 14.34           C  \\nATOM    100  OE1 GLU A  11      22.997 -10.296 -10.924  1.00 19.80           O  \\nATOM    101  OE2 GLU A  11      22.765 -12.362 -10.191  1.00 13.76           O  \\nATOM    102  N   GLY A  12      18.835  -7.395 -11.858  1.00  9.73           N  \\nATOM    103  CA  GLY A  12      18.503  -6.196 -12.686  1.00 10.14           C  \\nATOM    104  C   GLY A  12      18.558  -6.457 -14.191  1.00  9.64           C  \\nATOM    105  O   GLY A  12      18.692  -7.612 -14.632  1.00  8.39           O  \\nATOM    106  N   LEU A  13      18.315  -5.384 -14.951  1.00 10.95           N  \\nATOM    107  CA  LEU A  13      18.476  -5.410 -16.395  1.00 10.93           C  \\nATOM    108  C   LEU A  13      19.230  -4.158 -16.821  1.00 12.47           C  \\nATOM    109  O   LEU A  13      18.764  -3.037 -16.638  1.00 10.09           O  \\nATOM    110  CB  LEU A  13      17.121  -5.551 -17.094  1.00 10.84           C  \\nATOM    111  CG  LEU A  13      17.051  -5.400 -18.622  1.00 13.98           C  \\nATOM    112  CD1 LEU A  13      17.887  -6.504 -19.296  1.00 14.85           C  \\nATOM    113  CD2 LEU A  13      15.573  -5.621 -18.963  1.00 20.16           C  \\nATOM    114  N   ARG A  14      20.427  -4.347 -17.366  1.00 13.51           N  \\nATOM    115  CA  ARG A  14      21.161  -3.231 -17.947  1.00 12.55           C  \\nATOM    116  C   ARG A  14      21.624  -3.631 -19.343  1.00 13.91           C  \\nATOM    117  O   ARG A  14      22.092  -4.770 -19.558  1.00 13.51           O  \\nATOM    118  CB  ARG A  14      22.348  -2.865 -17.057  1.00 13.69           C  \\nATOM    119  CG  ARG A  14      21.881  -2.627 -15.541  1.00 10.77           C  \\nATOM    120  CD  ARG A  14      22.950  -2.031 -14.624  1.00 14.02           C  \\nATOM    121  NE  ARG A  14      23.267  -0.711 -15.097  1.00 18.61           N  \\nATOM    122  CZ  ARG A  14      24.231   0.041 -14.576  1.00 23.42           C  \\nATOM    123  NH1 ARG A  14      24.992  -0.441 -13.583  1.00 21.81           N  \\nATOM    124  NH2 ARG A  14      24.456   1.241 -15.079  1.00 24.97           N  \\nATOM    125  N   LEU A  15      21.488  -2.704 -20.276  1.00 14.21           N  \\nATOM    126  CA  LEU A  15      21.708  -3.028 -21.647  1.00 13.95           C  \\nATOM    127  C   LEU A  15      23.062  -2.639 -22.085  1.00 15.21           C  \\nATOM    128  O   LEU A  15      23.426  -3.007 -23.183  1.00 16.83           O  \\nATOM    129  CB  LEU A  15      20.647  -2.401 -22.523  1.00 14.29           C  \\nATOM    130  CG  LEU A  15      19.175  -2.813 -22.276  1.00 14.19           C  \\nATOM    131  CD1 LEU A  15      18.319  -2.230 -23.411  1.00 16.89           C  \\nATOM    132  CD2 LEU A  15      18.984  -4.289 -22.191  1.00 16.65           C  \\nATOM    133  N   LYS A  16      23.837  -1.955 -21.239  1.00 13.81           N  \\nATOM    134  CA  LYS A  16      25.207  -1.511 -21.600  1.00 14.34           C  \\nATOM    135  C   LYS A  16      26.123  -2.220 -20.641  1.00 13.58           C  \\nATOM    136  O   LYS A  16      25.731  -2.428 -19.477  1.00 15.63           O  \\nATOM    137  CB  LYS A  16      25.445  -0.003 -21.420  1.00 13.23           C  \\nATOM    138  CG  LYS A  16      24.695   0.873 -22.429  1.00 15.23           C  \\nATOM    139  CD  LYS A  16      24.562   2.348 -21.919  1.00 18.50           C  \\nATOM    140  CE  LYS A  16      24.042   3.253 -23.023  0.50 18.65           C  \\nATOM    141  NZ  LYS A  16      23.452   4.494 -22.483  0.50 21.53           N  \\nATOM    142  N   ILE A  17      27.336  -2.553 -21.085  1.00 14.54           N  \\nATOM    143  CA  ILE A  17      28.286  -3.207 -20.207  1.00 12.07           C  \\nATOM    144  C   ILE A  17      28.445  -2.430 -18.902  1.00 12.48           C  \\nATOM    145  O   ILE A  17      28.560  -1.225 -18.904  1.00 11.54           O  \\nATOM    146  CB  ILE A  17      29.634  -3.435 -20.873  1.00 12.95           C  \\nATOM    147  CG1 ILE A  17      29.493  -4.310 -22.144  1.00  8.75           C  \\nATOM    148  CG2 ILE A  17      30.696  -3.989 -19.862  1.00 12.45           C  \\nATOM    149  CD1 ILE A  17      30.848  -4.603 -22.812  1.00 12.23           C  \\nATOM    150  N   TYR A  18      28.373  -3.145 -17.790  1.00 14.39           N  \\nATOM    151  CA  TYR A  18      28.495  -2.515 -16.435  1.00 14.47           C  \\nATOM    152  C   TYR A  18      29.363  -3.471 -15.607  1.00 11.71           C  \\nATOM    153  O   TYR A  18      29.567  -4.613 -16.003  1.00 11.89           O  \\nATOM    154  CB  TYR A  18      27.118  -2.287 -15.749  1.00 13.83           C  \\nATOM    155  CG  TYR A  18      26.357  -3.552 -15.398  1.00 16.86           C  \\nATOM    156  CD1 TYR A  18      26.399  -4.107 -14.085  1.00 18.55           C  \\nATOM    157  CD2 TYR A  18      25.550  -4.229 -16.381  1.00 17.94           C  \\nATOM    158  CE1 TYR A  18      25.696  -5.338 -13.766  1.00 17.18           C  \\nATOM    159  CE2 TYR A  18      24.833  -5.419 -16.053  1.00 14.72           C  \\nATOM    160  CZ  TYR A  18      24.891  -5.954 -14.728  1.00 19.33           C  \\nATOM    161  OH  TYR A  18      24.153  -7.143 -14.446  1.00 17.43           O  \\nATOM    162  N   LYS A  19      29.830  -2.990 -14.466  1.00 10.51           N  \\nATOM    163  CA  LYS A  19      30.548  -3.762 -13.546  1.00 11.63           C  \\nATOM    164  C   LYS A  19      29.558  -4.240 -12.469  1.00 10.87           C  \\nATOM    165  O   LYS A  19      28.710  -3.454 -11.952  1.00 10.79           O  \\nATOM    166  CB  LYS A  19      31.682  -2.988 -12.948  1.00 10.53           C  \\nATOM    167  CG  LYS A  19      32.726  -2.643 -13.946  1.00 12.17           C  \\nATOM    168  CD  LYS A  19      33.877  -2.083 -13.250  1.00 13.68           C  \\nATOM    169  CE  LYS A  19      34.967  -1.539 -14.227  1.00 14.68           C  \\nATOM    170  NZ  LYS A  19      35.970  -0.819 -13.352  1.00 14.18           N  \\nATOM    171  N   ASP A  20      29.600  -5.541 -12.238  1.00 10.28           N  \\nATOM    172  CA  ASP A  20      28.755  -6.178 -11.230  1.00 10.35           C  \\nATOM    173  C   ASP A  20      29.298  -5.856  -9.825  1.00 11.13           C  \\nATOM    174  O   ASP A  20      30.226  -5.065  -9.684  1.00 13.25           O  \\nATOM    175  CB  ASP A  20      28.668  -7.714 -11.433  1.00  9.98           C  \\nATOM    176  CG  ASP A  20      29.988  -8.465 -11.129  1.00 12.88           C  \\nATOM    177  OD1 ASP A  20      30.984  -7.917 -10.654  1.00 12.47           O  \\nATOM    178  OD2 ASP A  20      30.049  -9.702 -11.403  1.00 17.43           O  \\nATOM    179  N   THR A  21      28.720  -6.477  -8.805  1.00 11.25           N  \\nATOM    180  CA ATHR A  21      29.009  -6.152  -7.390  0.50 11.50           C  \\nATOM    181  CA BTHR A  21      29.034  -6.058  -7.448  0.50 12.55           C  \\nATOM    182  C   THR A  21      30.477  -6.421  -7.079  1.00 13.05           C  \\nATOM    183  O   THR A  21      31.021  -5.897  -6.128  1.00 13.00           O  \\nATOM    184  CB ATHR A  21      28.137  -6.999  -6.443  0.50 11.96           C  \\nATOM    185  CB BTHR A  21      28.006  -6.598  -6.483  0.50 13.53           C  \\nATOM    186  OG1ATHR A  21      28.532  -8.367  -6.545  0.50  9.71           O  \\nATOM    187  OG1BTHR A  21      28.188  -5.969  -5.222  0.50 15.74           O  \\nATOM    188  CG2ATHR A  21      26.613  -6.864  -6.788  0.50  9.51           C  \\nATOM    189  CG2BTHR A  21      28.126  -8.101  -6.356  0.50 11.11           C  \\nATOM    190  N   GLU A  22      31.092  -7.317  -7.862  1.00 13.35           N  \\nATOM    191  CA  GLU A  22      32.490  -7.662  -7.724  1.00 12.75           C  \\nATOM    192  C   GLU A  22      33.430  -6.817  -8.601  1.00 12.79           C  \\nATOM    193  O   GLU A  22      34.654  -7.008  -8.550  1.00 14.56           O  \\nATOM    194  CB  GLU A  22      32.706  -9.174  -7.929  1.00 14.64           C  \\nATOM    195  CG  GLU A  22      32.057 -10.100  -6.954  1.00 15.63           C  \\nATOM    196  CD  GLU A  22      32.687  -9.982  -5.568  1.00 24.42           C  \\nATOM    197  OE1 GLU A  22      33.939  -9.752  -5.413  1.00 27.57           O  \\nATOM    198  OE2 GLU A  22      31.927 -10.082  -4.603  1.00 25.73           O  \\nATOM    199  N   GLY A  23      32.899  -5.860  -9.369  1.00 12.54           N  \\nATOM    200  CA  GLY A  23      33.714  -5.054 -10.291  1.00 12.77           C  \\nATOM    201  C   GLY A  23      33.925  -5.726 -11.631  1.00 13.27           C  \\nATOM    202  O   GLY A  23      34.746  -5.261 -12.389  1.00 12.49           O  \\nATOM    203  N   TYR A  24      33.188  -6.818 -11.934  1.00 12.52           N  \\nATOM    204  CA ATYR A  24      33.399  -7.500 -13.218  0.50 12.99           C  \\nATOM    205  CA BTYR A  24      33.342  -7.583 -13.178  0.50 13.06           C  \\nATOM    206  C   TYR A  24      32.400  -7.159 -14.255  1.00 12.20           C  \\nATOM    207  O   TYR A  24      31.233  -7.035 -13.968  1.00 12.55           O  \\nATOM    208  CB ATYR A  24      33.556  -9.021 -13.089  0.50 13.61           C  \\nATOM    209  CB BTYR A  24      33.041  -9.063 -12.949  0.50 13.86           C  \\nATOM    210  CG ATYR A  24      34.623  -9.343 -12.121  0.50 13.38           C  \\nATOM    211  CG BTYR A  24      33.927  -9.785 -11.988  0.50 13.37           C  \\nATOM    212  CD1ATYR A  24      35.916  -8.819 -12.279  0.50 11.36           C  \\nATOM    213  CD1BTYR A  24      35.285  -9.532 -11.952  0.50 17.24           C  \\nATOM    214  CD2ATYR A  24      34.349 -10.120 -11.004  0.50 14.00           C  \\nATOM    215  CD2BTYR A  24      33.402 -10.744 -11.107  0.50 15.02           C  \\nATOM    216  CE1ATYR A  24      36.918  -9.086 -11.342  0.50 12.77           C  \\nATOM    217  CE1BTYR A  24      36.106 -10.204 -11.059  0.50 16.72           C  \\nATOM    218  CE2ATYR A  24      35.317 -10.382 -10.083  0.50 15.94           C  \\nATOM    219  CE2BTYR A  24      34.209 -11.418 -10.221  0.50 15.43           C  \\nATOM    220  CZ ATYR A  24      36.598  -9.865 -10.238  0.50 14.47           C  \\nATOM    221  CZ BTYR A  24      35.565 -11.151 -10.195  0.50 16.64           C  \\nATOM    222  OH ATYR A  24      37.533 -10.179  -9.280  0.50 17.75           O  \\nATOM    223  OH BTYR A  24      36.411 -11.818  -9.312  0.50 13.96           O  \\nATOM    224  N   TYR A  25      32.932  -7.026 -15.486  1.00 12.09           N  \\nATOM    225  CA  TYR A  25      32.179  -6.584 -16.638  1.00 12.61           C  \\nATOM    226  C   TYR A  25      31.081  -7.581 -16.948  1.00 11.80           C  \\nATOM    227  O   TYR A  25      31.336  -8.785 -17.028  1.00 11.78           O  \\nATOM    228  CB  TYR A  25      33.048  -6.452 -17.840  1.00 11.99           C  \\nATOM    229  CG  TYR A  25      33.968  -5.305 -17.737  1.00 13.52           C  \\nATOM    230  CD1 TYR A  25      35.325  -5.518 -17.812  1.00 15.00           C  \\nATOM    231  CD2 TYR A  25      33.488  -4.013 -17.535  1.00 12.92           C  \\nATOM    232  CE1 TYR A  25      36.223  -4.433 -17.731  1.00 15.76           C  \\nATOM    233  CE2 TYR A  25      34.355  -2.917 -17.467  1.00 14.50           C  \\nATOM    234  CZ  TYR A  25      35.739  -3.147 -17.578  1.00 16.48           C  \\nATOM    235  OH  TYR A  25      36.629  -2.116 -17.499  1.00 18.00           O  \\nATOM    236  N   THR A  26      29.880  -7.035 -17.078  1.00 11.69           N  \\nATOM    237  CA  THR A  26      28.634  -7.821 -17.042  1.00 12.00           C  \\nATOM    238  C   THR A  26      27.677  -7.090 -17.975  1.00 11.69           C  \\nATOM    239  O   THR A  26      27.861  -5.934 -18.220  1.00 12.63           O  \\nATOM    240  CB  THR A  26      28.104  -7.933 -15.551  1.00 12.28           C  \\nATOM    241  OG1 THR A  26      29.112  -8.590 -14.733  1.00 13.67           O  \\nATOM    242  CG2 THR A  26      26.740  -8.671 -15.460  1.00 13.96           C  \\nATOM    243  N   ILE A  27      26.673  -7.754 -18.529  1.00 10.49           N  \\nATOM    244  CA  ILE A  27      25.623  -7.061 -19.275  1.00 11.85           C  \\nATOM    245  C   ILE A  27      24.289  -7.760 -19.021  1.00 10.90           C  \\nATOM    246  O   ILE A  27      24.262  -8.839 -18.484  1.00 13.57           O  \\nATOM    247  CB  ILE A  27      25.970  -6.982 -20.827  1.00  8.77           C  \\nATOM    248  CG1 ILE A  27      25.126  -5.864 -21.494  1.00  9.65           C  \\nATOM    249  CG2 ILE A  27      25.863  -8.366 -21.435  1.00 12.03           C  \\nATOM    250  CD1 ILE A  27      25.660  -5.372 -22.839  1.00 11.30           C  \\nATOM    251  N   GLY A  28      23.198  -7.134 -19.399  1.00 11.08           N  \\nATOM    252  CA  GLY A  28      21.893  -7.789 -19.451  1.00 11.75           C  \\nATOM    253  C   GLY A  28      21.405  -8.092 -18.068  1.00 11.50           C  \\nATOM    254  O   GLY A  28      21.389  -7.193 -17.197  1.00 11.34           O  \\nATOM    255  N   ILE A  29      21.008  -9.359 -17.869  1.00 11.68           N  \\nATOM    256  CA  ILE A  29      20.474  -9.822 -16.566  1.00 10.38           C  \\nATOM    257  C   ILE A  29      21.581 -10.615 -15.842  1.00 10.59           C  \\nATOM    258  O   ILE A  29      21.520 -11.830 -15.751  1.00 11.75           O  \\nATOM    259  CB  ILE A  29      19.130 -10.547 -16.693  1.00 11.65           C  \\nATOM    260  CG1 ILE A  29      18.055  -9.646 -17.356  1.00  8.43           C  \\nATOM    261  CG2 ILE A  29      18.591 -10.990 -15.328  1.00 10.08           C  \\nATOM    262  CD1 ILE A  29      16.933 -10.395 -18.113  1.00 12.83           C  \\nATOM    263  N   GLY A  30      22.601  -9.907 -15.332  1.00 10.90           N  \\nATOM    264  CA  GLY A  30      23.716 -10.556 -14.663  1.00 10.32           C  \\nATOM    265  C   GLY A  30      24.459 -11.550 -15.525  1.00 11.48           C  \\nATOM    266  O   GLY A  30      24.903 -12.643 -15.066  1.00 12.69           O  \\nATOM    267  N   HIS A  31      24.650 -11.172 -16.779  1.00  8.99           N  \\nATOM    268  CA  HIS A  31      25.436 -12.044 -17.632  1.00 10.80           C  \\nATOM    269  C   HIS A  31      26.876 -11.567 -17.520  1.00  8.81           C  \\nATOM    270  O   HIS A  31      27.255 -10.542 -18.111  1.00 10.50           O  \\nATOM    271  CB  HIS A  31      24.990 -11.990 -19.097  1.00  9.28           C  \\nATOM    272  CG  HIS A  31      25.845 -12.837 -19.965  1.00  9.54           C  \\nATOM    273  ND1 HIS A  31      25.671 -14.193 -20.067  1.00 14.49           N  \\nATOM    274  CD2 HIS A  31      26.987 -12.555 -20.634  1.00 13.34           C  \\nATOM    275  CE1 HIS A  31      26.628 -14.703 -20.827  1.00 14.65           C  \\nATOM    276  NE2 HIS A  31      27.438 -13.727 -21.177  1.00 13.40           N  \\nATOM    277  N   LEU A  32      27.674 -12.359 -16.827  1.00 10.44           N  \\nATOM    278  CA  LEU A  32      29.069 -12.061 -16.591  1.00 12.64           C  \\nATOM    279  C   LEU A  32      29.796 -12.233 -17.912  1.00 12.40           C  \\nATOM    280  O   LEU A  32      29.675 -13.272 -18.584  1.00 12.89           O  \\nATOM    281  CB  LEU A  32      29.615 -13.058 -15.554  1.00 13.09           C  \\nATOM    282  CG  LEU A  32      31.118 -12.943 -15.243  1.00 14.71           C  \\nATOM    283  CD1 LEU A  32      31.455 -11.547 -14.710  1.00 11.58           C  \\nATOM    284  CD2 LEU A  32      31.592 -14.089 -14.245  1.00 14.66           C  \\nATOM    285  N   LEU A  33      30.519 -11.216 -18.322  1.00 12.36           N  \\nATOM    286  CA  LEU A  33      31.266 -11.293 -19.602  1.00 13.55           C  \\nATOM    287  C   LEU A  33      32.696 -11.751 -19.366  1.00 15.00           C  \\nATOM    288  O   LEU A  33      33.203 -12.621 -20.102  1.00 15.58           O  \\nATOM    289  CB  LEU A  33      31.321  -9.920 -20.203  1.00 13.92           C  \\nATOM    290  CG  LEU A  33      29.961  -9.530 -20.748  1.00  9.98           C  \\nATOM    291  CD1 LEU A  33      29.967  -8.038 -21.078  1.00 11.52           C  \\nATOM    292  CD2 LEU A  33      29.599 -10.356 -22.046  1.00  6.96           C  \\nATOM    293  N   THR A  34      33.339 -11.200 -18.333  1.00 15.13           N  \\nATOM    294  CA  THR A  34      34.686 -11.561 -18.021  1.00 16.46           C  \\nATOM    295  C   THR A  34      35.082 -11.015 -16.666  1.00 17.47           C  \\nATOM    296  O   THR A  34      34.547  -9.979 -16.232  1.00 17.59           O  \\nATOM    297  CB  THR A  34      35.721 -10.977 -19.080  1.00 18.65           C  \\nATOM    298  OG1 THR A  34      37.052 -11.341 -18.700  1.00 19.78           O  \\nATOM    299  CG2 THR A  34      35.689  -9.465 -19.114  1.00 12.88           C  \\nATOM    300  N   LYS A  35      36.068 -11.674 -16.039  1.00 18.87           N  \\nATOM    301  CA  LYS A  35      36.806 -11.089 -14.902  1.00 21.97           C  \\nATOM    302  C   LYS A  35      37.974 -10.166 -15.236  1.00 23.16           C  \\nATOM    303  O   LYS A  35      38.512  -9.480 -14.335  1.00 23.53           O  \\nATOM    304  CB  LYS A  35      37.258 -12.169 -13.930  1.00 22.07           C  \\nATOM    305  CG  LYS A  35      36.033 -12.908 -13.404  1.00 22.54           C  \\nATOM    306  CD  LYS A  35      36.355 -13.859 -12.265  1.00 20.80           C  \\nATOM    307  CE  LYS A  35      35.035 -14.572 -11.907  1.00 28.15           C  \\nATOM    308  NZ  LYS A  35      35.218 -15.611 -10.823  1.00 29.37           N  \\nATOM    309  N   SER A  36      38.357 -10.125 -16.505  1.00 23.27           N  \\nATOM    310  CA  SER A  36      39.391  -9.206 -16.956  1.00 22.49           C  \\nATOM    311  C   SER A  36      39.054  -7.756 -16.718  1.00 22.79           C  \\nATOM    312  O   SER A  36      37.917  -7.313 -16.954  1.00 20.74           O  \\nATOM    313  CB  SER A  36      39.643  -9.383 -18.454  1.00 23.05           C  \\nATOM    314  OG  SER A  36      40.470  -8.323 -18.929  1.00 21.13           O  \\nATOM    315  N   PRO A  37      40.044  -6.993 -16.251  1.00 23.64           N  \\nATOM    316  CA  PRO A  37      39.856  -5.563 -16.100  1.00 23.78           C  \\nATOM    317  C   PRO A  37      39.896  -4.829 -17.439  1.00 24.01           C  \\nATOM    318  O   PRO A  37      39.743  -3.621 -17.474  1.00 23.95           O  \\nATOM    319  CB  PRO A  37      41.054  -5.135 -15.238  1.00 24.98           C  \\nATOM    320  CG  PRO A  37      42.145  -6.158 -15.541  1.00 24.78           C  \\nATOM    321  CD  PRO A  37      41.366  -7.465 -15.809  1.00 24.30           C  \\nATOM    322  N   ASP A  38      40.068  -5.565 -18.522  1.00 23.55           N  \\nATOM    323  CA  ASP A  38      40.176  -4.981 -19.861  1.00 23.61           C  \\nATOM    324  C   ASP A  38      38.763  -4.867 -20.435  1.00 22.10           C  \\nATOM    325  O   ASP A  38      38.113  -5.896 -20.726  1.00 23.06           O  \\nATOM    326  CB  ASP A  38      40.984  -5.939 -20.711  1.00 23.90           C  \\nATOM    327  CG  ASP A  38      41.359  -5.383 -22.079  1.00 29.00           C  \\nATOM    328  OD1 ASP A  38      40.917  -4.290 -22.515  1.00 31.63           O  \\nATOM    329  OD2 ASP A  38      42.140  -6.103 -22.744  0.50 31.87           O  \\nATOM    330  N   LEU A  39      38.291  -3.640 -20.593  1.00 20.06           N  \\nATOM    331  CA  LEU A  39      37.000  -3.399 -21.170  1.00 17.93           C  \\nATOM    332  C   LEU A  39      36.922  -4.016 -22.574  1.00 17.00           C  \\nATOM    333  O   LEU A  39      35.903  -4.585 -22.967  1.00 14.52           O  \\nATOM    334  CB  LEU A  39      36.636  -1.933 -21.144  1.00 19.75           C  \\nATOM    335  CG  LEU A  39      35.242  -1.577 -21.762  1.00 19.08           C  \\nATOM    336  CD1 LEU A  39      33.981  -2.226 -21.083  1.00 15.17           C  \\nATOM    337  CD2 LEU A  39      35.178  -0.079 -21.883  1.00 17.63           C  \\nATOM    338  N   ASN A  40      38.013  -3.974 -23.313  1.00 15.29           N  \\nATOM    339  CA  ASN A  40      37.986  -4.574 -24.624  1.00 16.57           C  \\nATOM    340  C   ASN A  40      37.790  -6.091 -24.605  1.00 15.17           C  \\nATOM    341  O   ASN A  40      37.255  -6.653 -25.553  1.00 15.96           O  \\nATOM    342  CB  ASN A  40      39.272  -4.248 -25.372  1.00 19.04           C  \\nATOM    343  CG  ASN A  40      39.309  -2.805 -25.835  1.00 24.09           C  \\nATOM    344  OD1 ASN A  40      38.287  -2.209 -26.268  1.00 27.52           O  \\nATOM    345  ND2 ASN A  40      40.500  -2.211 -25.714  1.00 29.99           N  \\nATOM    346  N   ALA A  41      38.321  -6.754 -23.585  1.00 15.24           N  \\nATOM    347  CA  ALA A  41      38.222  -8.195 -23.467  1.00 15.24           C  \\nATOM    348  C   ALA A  41      36.757  -8.490 -23.200  1.00 15.28           C  \\nATOM    349  O   ALA A  41      36.235  -9.509 -23.713  1.00 16.99           O  \\nATOM    350  CB  ALA A  41      39.085  -8.733 -22.392  1.00 13.34           C  \\nATOM    351  N   ALA A  42      36.085  -7.617 -22.421  1.00 15.41           N  \\nATOM    352  CA  ALA A  42      34.615  -7.764 -22.207  1.00 13.34           C  \\nATOM    353  C   ALA A  42      33.800  -7.533 -23.458  1.00 14.85           C  \\nATOM    354  O   ALA A  42      32.802  -8.239 -23.737  1.00 15.53           O  \\nATOM    355  CB  ALA A  42      34.111  -6.888 -21.007  1.00 14.75           C  \\nATOM    356  N   LYS A  43      34.207  -6.541 -24.235  1.00 14.45           N  \\nATOM    357  CA  LYS A  43      33.554  -6.246 -25.485  1.00 13.01           C  \\nATOM    358  C   LYS A  43      33.731  -7.366 -26.446  1.00 11.58           C  \\nATOM    359  O   LYS A  43      32.795  -7.672 -27.135  1.00 13.80           O  \\nATOM    360  CB  LYS A  43      34.002  -4.925 -26.119  1.00 13.83           C  \\nATOM    361  CG  LYS A  43      33.566  -3.712 -25.306  1.00 18.49           C  \\nATOM    362  CD  LYS A  43      34.132  -2.436 -25.871  1.00 21.84           C  \\nATOM    363  CE  LYS A  43      33.394  -1.273 -25.232  1.00 26.35           C  \\nATOM    364  NZ  LYS A  43      33.578  -0.015 -25.966  1.00 30.22           N  \\nATOM    365  N   SER A  44      34.896  -8.006 -26.487  1.00 11.60           N  \\nATOM    366  CA  SER A  44      35.087  -9.174 -27.387  1.00 12.83           C  \\nATOM    367  C   SER A  44      34.145 -10.342 -26.941  1.00 13.44           C  \\nATOM    368  O   SER A  44      33.436 -10.996 -27.768  1.00 13.24           O  \\nATOM    369  CB  SER A  44      36.594  -9.526 -27.412  1.00 14.76           C  \\nATOM    370  OG  SER A  44      36.850 -10.723 -28.102  1.00 18.81           O  \\nATOM    371  N   GLU A  45      34.089 -10.602 -25.629  1.00 13.03           N  \\nATOM    372  CA  GLU A  45      33.200 -11.666 -25.058  1.00 12.59           C  \\nATOM    373  C   GLU A  45      31.750 -11.385 -25.361  1.00 12.07           C  \\nATOM    374  O   GLU A  45      31.017 -12.296 -25.676  1.00 13.76           O  \\nATOM    375  CB  GLU A  45      33.334 -11.748 -23.555  1.00 10.62           C  \\nATOM    376  CG  GLU A  45      34.647 -12.347 -23.128  1.00 12.96           C  \\nATOM    377  CD  GLU A  45      34.855 -13.718 -23.805  1.00 15.13           C  \\nATOM    378  OE1 GLU A  45      34.075 -14.665 -23.575  1.00 13.31           O  \\nATOM    379  OE2 GLU A  45      35.826 -13.847 -24.550  1.00 17.67           O  \\nATOM    380  N   LEU A  46      31.316 -10.121 -25.250  1.00 11.28           N  \\nATOM    381  CA  LEU A  46      29.963  -9.716 -25.595  1.00 10.57           C  \\nATOM    382  C   LEU A  46      29.645 -10.066 -27.044  1.00 11.44           C  \\nATOM    383  O   LEU A  46      28.620 -10.666 -27.334  1.00 12.45           O  \\nATOM    384  CB  LEU A  46      29.680  -8.195 -25.388  1.00  7.82           C  \\nATOM    385  CG  LEU A  46      28.261  -7.700 -25.710  1.00  8.57           C  \\nATOM    386  CD1 LEU A  46      27.223  -8.416 -24.846  1.00 11.19           C  \\nATOM    387  CD2 LEU A  46      28.126  -6.246 -25.455  1.00 10.01           C  \\nATOM    388  N   ASP A  47      30.509  -9.645 -27.950  1.00 12.06           N  \\nATOM    389  CA  ASP A  47      30.287  -9.869 -29.345  1.00 11.19           C  \\nATOM    390  C   ASP A  47      30.254 -11.369 -29.653  1.00 11.07           C  \\nATOM    391  O   ASP A  47      29.487 -11.789 -30.501  1.00 10.42           O  \\nATOM    392  CB  ASP A  47      31.423  -9.217 -30.093  1.00 10.99           C  \\nATOM    393  CG  ASP A  47      31.363  -7.695 -30.024  1.00 12.43           C  \\nATOM    394  OD1 ASP A  47      30.355  -7.081 -29.552  1.00 10.46           O  \\nATOM    395  OD2 ASP A  47      32.309  -7.121 -30.573  1.00 18.98           O  \\nATOM    396  N   LYS A  48      31.150 -12.145 -29.021  1.00 10.81           N  \\nATOM    397  CA  LYS A  48      31.160 -13.618 -29.170  1.00 10.31           C  \\nATOM    398  C   LYS A  48      29.782 -14.205 -28.710  1.00  9.51           C  \\nATOM    399  O   LYS A  48      29.201 -15.075 -29.374  1.00 10.98           O  \\nATOM    400  CB  LYS A  48      32.335 -14.214 -28.396  1.00  8.87           C  \\nATOM    401  CG  LYS A  48      32.462 -15.715 -28.570  1.00  9.35           C  \\nATOM    402  CD  LYS A  48      33.818 -16.315 -28.181  1.00  8.34           C  \\nATOM    403  CE  LYS A  48      34.396 -15.833 -26.876  1.00  9.68           C  \\nATOM    404  NZ  LYS A  48      33.695 -16.293 -25.719  1.00 11.58           N  \\nATOM    405  N   ALA A  49      29.245 -13.662 -27.615  1.00 10.87           N  \\nATOM    406  CA  ALA A  49      28.052 -14.170 -26.929  1.00 12.51           C  \\nATOM    407  C   ALA A  49      26.820 -13.908 -27.790  1.00 12.83           C  \\nATOM    408  O   ALA A  49      25.892 -14.760 -27.952  1.00 11.18           O  \\nATOM    409  CB  ALA A  49      27.927 -13.423 -25.553  1.00 13.07           C  \\nATOM    410  N   ILE A  50      26.842 -12.746 -28.406  1.00 12.15           N  \\nATOM    411  CA  ILE A  50      25.673 -12.274 -29.151  1.00 12.61           C  \\nATOM    412  C   ILE A  50      25.735 -12.652 -30.633  1.00 11.87           C  \\nATOM    413  O   ILE A  50      24.695 -12.767 -31.255  1.00 12.43           O  \\nATOM    414  CB  ILE A  50      25.472 -10.730 -29.010  1.00 10.16           C  \\nATOM    415  CG1 ILE A  50      25.282 -10.393 -27.508  1.00 14.77           C  \\nATOM    416  CG2 ILE A  50      24.281 -10.260 -29.866  1.00 11.98           C  \\nATOM    417  CD1 ILE A  50      24.049 -10.949 -26.859  1.00 14.13           C  \\nATOM    418  N   GLY A  51      26.937 -12.913 -31.144  1.00 13.85           N  \\nATOM    419  CA  GLY A  51      27.113 -13.231 -32.576  1.00 14.53           C  \\nATOM    420  C   GLY A  51      27.105 -11.986 -33.492  1.00 17.21           C  \\nATOM    421  O   GLY A  51      26.856 -12.081 -34.685  1.00 17.73           O  \\nATOM    422  N   ARG A  52      27.351 -10.806 -32.950  1.00 16.02           N  \\nATOM    423  CA  ARG A  52      27.364  -9.594 -33.759  1.00 16.50           C  \\nATOM    424  C   ARG A  52      28.271  -8.634 -33.015  1.00 14.92           C  \\nATOM    425  O   ARG A  52      28.613  -8.905 -31.871  1.00 15.80           O  \\nATOM    426  CB  ARG A  52      25.933  -9.028 -34.021  1.00 15.77           C  \\nATOM    427  CG  ARG A  52      25.246  -8.424 -32.779  1.00 17.56           C  \\nATOM    428  CD  ARG A  52      23.915  -7.712 -33.120  1.00 20.09           C  \\nATOM    429  NE  ARG A  52      23.293  -7.136 -31.928  1.00 20.79           N  \\nATOM    430  CZ  ARG A  52      23.658  -6.002 -31.341  1.00 21.18           C  \\nATOM    431  NH1 ARG A  52      24.597  -5.250 -31.904  1.00 25.60           N  \\nATOM    432  NH2 ARG A  52      23.006  -5.576 -30.243  1.00 23.53           N  \\nATOM    433  N   ASN A  53      28.662  -7.545 -33.683  1.00 14.53           N  \\nATOM    434  CA  ASN A  53      29.520  -6.494 -33.171  1.00 15.36           C  \\nATOM    435  C   ASN A  53      28.632  -5.561 -32.350  1.00 15.47           C  \\nATOM    436  O   ASN A  53      27.881  -4.804 -32.906  1.00 13.54           O  \\nATOM    437  CB  ASN A  53      30.083  -5.698 -34.363  1.00 15.64           C  \\nATOM    438  CG  ASN A  53      31.367  -6.294 -34.930  0.50 16.35           C  \\nATOM    439  OD1 ASN A  53      32.043  -7.087 -34.292  0.50 17.84           O  \\nATOM    440  ND2 ASN A  53      31.703  -5.901 -36.141  0.50 14.99           N  \\nATOM    441  N   CYS A  54      28.636  -5.674 -31.027  1.00 15.19           N  \\nATOM    442  CA  CYS A  54      27.590  -4.959 -30.253  1.00 15.66           C  \\nATOM    443  C   CYS A  54      28.035  -3.621 -29.806  1.00 15.84           C  \\nATOM    444  O   CYS A  54      27.199  -2.775 -29.399  1.00 18.75           O  \\nATOM    445  CB  CYS A  54      27.165  -5.741 -29.019  1.00 14.40           C  \\nATOM    446  SG  CYS A  54      26.498  -7.306 -29.460  1.00 17.76           S  \\nATOM    447  N   ASN A  55      29.345  -3.411 -29.844  1.00 16.88           N  \\nATOM    448  CA  ASN A  55      29.936  -2.166 -29.332  1.00 17.33           C  \\nATOM    449  C   ASN A  55      29.426  -1.846 -27.898  1.00 17.29           C  \\nATOM    450  O   ASN A  55      29.010  -0.715 -27.600  1.00 18.40           O  \\nATOM    451  CB  ASN A  55      29.776  -1.019 -30.373  0.50 17.07           C  \\nATOM    452  CG  ASN A  55      30.752  -1.170 -31.559  0.50 16.33           C  \\nATOM    453  OD1 ASN A  55      30.405  -1.679 -32.645  0.50 15.28           O  \\nATOM    454  ND2 ASN A  55      32.004  -0.737 -31.339  0.50 17.57           N  \\nATOM    455  N   GLY A  56      29.441  -2.884 -27.041  1.00 17.17           N  \\nATOM    456  CA  GLY A  56      29.107  -2.757 -25.606  1.00 15.09           C  \\nATOM    457  C   GLY A  56      27.651  -2.511 -25.272  1.00 13.62           C  \\nATOM    458  O   GLY A  56      27.334  -2.204 -24.136  1.00 13.57           O  \\nATOM    459  N   VAL A  57      26.748  -2.702 -26.236  1.00 13.31           N  \\nATOM    460  CA  VAL A  57      25.346  -2.490 -26.026  1.00 13.69           C  \\nATOM    461  C   VAL A  57      24.535  -3.599 -26.695  1.00 12.83           C  \\nATOM    462  O   VAL A  57      24.850  -4.088 -27.791  1.00 12.42           O  \\nATOM    463  CB  VAL A  57      24.859  -1.101 -26.538  1.00 15.47           C  \\nATOM    464  CG1 VAL A  57      23.410  -0.916 -26.178  1.00 13.56           C  \\nATOM    465  CG2 VAL A  57      25.705   0.016 -25.893  1.00 14.18           C  \\nATOM    466  N   ILE A  58      23.511  -4.022 -25.982  1.00 13.06           N  \\nATOM    467  CA  ILE A  58      22.602  -5.022 -26.493  1.00 12.11           C  \\nATOM    468  C   ILE A  58      21.164  -4.584 -26.292  1.00 12.45           C  \\nATOM    469  O   ILE A  58      20.885  -3.604 -25.568  1.00 13.66           O  \\nATOM    470  CB  ILE A  58      22.798  -6.421 -25.791  1.00 10.33           C  \\nATOM    471  CG1 ILE A  58      22.427  -6.352 -24.291  1.00 12.49           C  \\nATOM    472  CG2 ILE A  58      24.250  -7.024 -26.093  1.00 12.03           C  \\nATOM    473  CD1 ILE A  58      22.387  -7.785 -23.587  1.00  9.93           C  \\nATOM    474  N   THR A  59      20.253  -5.328 -26.935  1.00 12.65           N  \\nATOM    475  CA  THR A  59      18.812  -5.151 -26.769  1.00 13.78           C  \\nATOM    476  C   THR A  59      18.222  -5.960 -25.596  1.00 14.47           C  \\nATOM    477  O   THR A  59      18.852  -6.901 -25.069  1.00 12.93           O  \\nATOM    478  CB  THR A  59      18.073  -5.512 -28.073  1.00 15.34           C  \\nATOM    479  OG1 THR A  59      18.130  -6.940 -28.269  1.00 14.31           O  \\nATOM    480  CG2 THR A  59      18.685  -4.675 -29.284  1.00 14.99           C  \\nATOM    481  N   LYS A  60      16.981  -5.603 -25.230  1.00 15.15           N  \\nATOM    482  CA  LYS A  60      16.272  -6.347 -24.200  1.00 15.55           C  \\nATOM    483  C   LYS A  60      16.150  -7.794 -24.630  1.00 15.96           C  \\nATOM    484  O   LYS A  60      16.365  -8.714 -23.817  1.00 15.57           O  \\nATOM    485  CB  LYS A  60      14.914  -5.735 -23.901  1.00 15.63           C  \\nATOM    486  CG  LYS A  60      14.212  -6.387 -22.697  1.00 14.56           C  \\nATOM    487  CD  LYS A  60      13.071  -5.601 -22.181  1.00 16.36           C  \\nATOM    488  CE  LYS A  60      12.125  -6.493 -21.386  1.00 21.55           C  \\nATOM    489  NZ  LYS A  60      10.958  -5.776 -20.764  0.50 24.65           N  \\nATOM    490  N   ASP A  61      15.803  -8.011 -25.912  1.00 16.94           N  \\nATOM    491  CA  ASP A  61      15.634  -9.389 -26.387  1.00 15.82           C  \\nATOM    492  C   ASP A  61      16.949 -10.149 -26.254  1.00 13.72           C  \\nATOM    493  O   ASP A  61      16.957 -11.323 -25.851  1.00 12.79           O  \\nATOM    494  CB  ASP A  61      15.230  -9.414 -27.845  1.00 16.67           C  \\nATOM    495  CG  ASP A  61      13.789  -9.038 -28.059  1.00 22.04           C  \\nATOM    496  OD1 ASP A  61      13.035  -8.672 -27.114  1.00 24.22           O  \\nATOM    497  OD2 ASP A  61      13.389  -9.094 -29.238  1.00 29.10           O  \\nATOM    498  N   GLU A  62      18.050  -9.502 -26.637  1.00 12.95           N  \\nATOM    499  CA  GLU A  62      19.371 -10.153 -26.539  1.00 13.13           C  \\nATOM    500  C   GLU A  62      19.666 -10.403 -25.071  1.00 11.06           C  \\nATOM    501  O   GLU A  62      20.270 -11.425 -24.758  1.00 10.10           O  \\nATOM    502  CB  GLU A  62      20.457  -9.318 -27.156  1.00 13.17           C  \\nATOM    503  CG  GLU A  62      20.188  -9.063 -28.645  1.00 16.48           C  \\nATOM    504  CD  GLU A  62      21.138  -8.105 -29.365  1.00 16.24           C  \\nATOM    505  OE1 GLU A  62      21.583  -7.055 -28.815  1.00 15.48           O  \\nATOM    506  OE2 GLU A  62      21.446  -8.420 -30.546  1.00 15.92           O  \\nATOM    507  N   ALA A  63      19.276  -9.464 -24.174  1.00 10.00           N  \\nATOM    508  CA  ALA A  63      19.507  -9.712 -22.738  1.00  8.92           C  \\nATOM    509  C   ALA A  63      18.773 -10.963 -22.260  1.00 10.79           C  \\nATOM    510  O   ALA A  63      19.393 -11.814 -21.590  1.00 11.01           O  \\nATOM    511  CB  ALA A  63      19.137  -8.549 -21.890  1.00 11.14           C  \\nATOM    512  N   GLU A  64      17.476 -11.074 -22.613  1.00 10.55           N  \\nATOM    513  CA  GLU A  64      16.654 -12.183 -22.194  1.00  9.59           C  \\nATOM    514  C   GLU A  64      17.154 -13.459 -22.831  1.00 10.50           C  \\nATOM    515  O   GLU A  64      17.118 -14.491 -22.222  1.00 10.93           O  \\nATOM    516  CB  GLU A  64      15.227 -11.879 -22.514  1.00 11.46           C  \\nATOM    517  CG  GLU A  64      14.650 -10.758 -21.559  1.00 12.95           C  \\nATOM    518  CD  GLU A  64      13.361 -10.129 -22.108  1.00 19.94           C  \\nATOM    519  OE1 GLU A  64      13.046 -10.395 -23.301  1.00 21.72           O  \\nATOM    520  OE2 GLU A  64      12.700  -9.325 -21.383  1.00 21.66           O  \\nATOM    521  N   LYS A  65      17.681 -13.388 -24.050  1.00  9.94           N  \\nATOM    522  CA  LYS A  65      18.256 -14.589 -24.614  1.00 10.27           C  \\nATOM    523  C   LYS A  65      19.452 -15.142 -23.818  1.00 10.44           C  \\nATOM    524  O   LYS A  65      19.510 -16.322 -23.500  1.00  8.28           O  \\nATOM    525  CB  LYS A  65      18.621 -14.364 -26.077  1.00 10.94           C  \\nATOM    526  CG  LYS A  65      19.120 -15.640 -26.661  1.00  9.62           C  \\nATOM    527  CD  LYS A  65      19.273 -15.438 -28.137  1.00 18.05           C  \\nATOM    528  CE  LYS A  65      19.717 -16.760 -28.669  1.00 20.75           C  \\nATOM    529  NZ  LYS A  65      19.257 -16.995 -30.009  1.00 22.44           N  \\nATOM    530  N   LEU A  66      20.416 -14.292 -23.518  1.00 11.27           N  \\nATOM    531  CA  LEU A  66      21.577 -14.664 -22.689  1.00 10.98           C  \\nATOM    532  C   LEU A  66      21.059 -15.219 -21.339  1.00 10.20           C  \\nATOM    533  O   LEU A  66      21.603 -16.197 -20.770  1.00  8.48           O  \\nATOM    534  CB  LEU A  66      22.431 -13.396 -22.435  1.00 11.43           C  \\nATOM    535  CG  LEU A  66      23.246 -12.880 -23.691  1.00 10.72           C  \\nATOM    536  CD1 LEU A  66      23.979 -11.568 -23.276  1.00 15.89           C  \\nATOM    537  CD2 LEU A  66      24.275 -13.877 -24.098  1.00 17.06           C  \\nATOM    538  N   PHE A  67      20.045 -14.540 -20.815  1.00 10.45           N  \\nATOM    539  CA  PHE A  67      19.483 -14.876 -19.493  1.00 11.64           C  \\nATOM    540  C   PHE A  67      18.889 -16.290 -19.535  1.00 11.66           C  \\nATOM    541  O   PHE A  67      19.155 -17.127 -18.662  1.00 12.35           O  \\nATOM    542  CB  PHE A  67      18.431 -13.838 -19.108  1.00 10.74           C  \\nATOM    543  CG  PHE A  67      17.788 -14.043 -17.704  1.00 13.29           C  \\nATOM    544  CD1 PHE A  67      18.546 -14.451 -16.611  1.00 11.59           C  \\nATOM    545  CD2 PHE A  67      16.417 -13.717 -17.508  1.00 14.66           C  \\nATOM    546  CE1 PHE A  67      18.012 -14.551 -15.339  1.00 13.70           C  \\nATOM    547  CE2 PHE A  67      15.844 -13.829 -16.240  1.00  8.46           C  \\nATOM    548  CZ  PHE A  67      16.641 -14.258 -15.165  1.00 14.46           C  \\nATOM    549  N   ASN A  68      18.036 -16.548 -20.516  1.00 11.62           N  \\nATOM    550  CA AASN A  68      17.541 -17.893 -20.780  0.50 11.70           C  \\nATOM    551  CA BASN A  68      17.543 -17.904 -20.656  0.50 11.62           C  \\nATOM    552  C   ASN A  68      18.665 -18.909 -20.772  1.00 11.78           C  \\nATOM    553  O   ASN A  68      18.594 -19.936 -20.142  1.00 13.01           O  \\nATOM    554  CB AASN A  68      16.820 -17.901 -22.136  0.50 11.53           C  \\nATOM    555  CB BASN A  68      16.563 -18.019 -21.810  0.50 11.63           C  \\nATOM    556  CG AASN A  68      15.372 -17.443 -22.038  0.50 12.13           C  \\nATOM    557  CG BASN A  68      15.825 -19.342 -21.829  0.50 11.61           C  \\nATOM    558  OD1AASN A  68      14.742 -17.598 -20.989  0.50 13.94           O  \\nATOM    559  OD1BASN A  68      16.124 -20.285 -21.087  0.50 13.56           O  \\nATOM    560  ND2AASN A  68      14.830 -16.893 -23.139  0.50  8.69           N  \\nATOM    561  ND2BASN A  68      14.820 -19.409 -22.683  0.50 15.20           N  \\nATOM    562  N   GLN A  69      19.727 -18.630 -21.556  1.00 11.81           N  \\nATOM    563  CA  GLN A  69      20.846 -19.553 -21.615  1.00 11.54           C  \\nATOM    564  C   GLN A  69      21.544 -19.724 -20.245  1.00 12.95           C  \\nATOM    565  O   GLN A  69      21.915 -20.861 -19.870  1.00 12.00           O  \\nATOM    566  CB  GLN A  69      21.893 -19.068 -22.615  1.00 12.40           C  \\nATOM    567  CG  GLN A  69      21.358 -19.052 -23.987  1.00  9.65           C  \\nATOM    568  CD  GLN A  69      22.297 -18.543 -25.025  1.00 15.93           C  \\nATOM    569  OE1 GLN A  69      22.004 -18.771 -26.199  1.00 14.26           O  \\nATOM    570  NE2 GLN A  69      23.447 -17.857 -24.639  1.00  7.52           N  \\nATOM    571  N   ASP A  70      21.682 -18.609 -19.520  1.00 12.06           N  \\nATOM    572  CA  ASP A  70      22.362 -18.581 -18.205  1.00 13.01           C  \\nATOM    573  C   ASP A  70      21.603 -19.373 -17.141  1.00 13.30           C  \\nATOM    574  O   ASP A  70      22.218 -20.158 -16.423  1.00 13.91           O  \\nATOM    575  CB  ASP A  70      22.656 -17.133 -17.741  1.00 12.93           C  \\nATOM    576  CG  ASP A  70      23.751 -16.485 -18.601  1.00 12.85           C  \\nATOM    577  OD1 ASP A  70      24.358 -17.190 -19.432  1.00 10.38           O  \\nATOM    578  OD2 ASP A  70      23.960 -15.296 -18.478  1.00 15.54           O  \\nATOM    579  N   VAL A  71      20.282 -19.221 -17.121  1.00 13.81           N  \\nATOM    580  CA  VAL A  71      19.446 -19.962 -16.161  1.00 14.32           C  \\nATOM    581  C   VAL A  71      19.507 -21.448 -16.479  1.00 13.97           C  \\nATOM    582  O   VAL A  71      19.792 -22.277 -15.617  1.00 13.66           O  \\nATOM    583  CB  VAL A  71      18.053 -19.421 -16.128  1.00 14.69           C  \\nATOM    584  CG1 VAL A  71      17.122 -20.311 -15.207  1.00 17.08           C  \\nATOM    585  CG2 VAL A  71      18.085 -17.953 -15.713  1.00 13.00           C  \\nATOM    586  N   ASP A  72      19.282 -21.772 -17.752  1.00 13.09           N  \\nATOM    587  CA AASP A  72      19.329 -23.119 -18.221  0.50 12.65           C  \\nATOM    588  CA BASP A  72      19.320 -23.135 -18.192  0.25 12.18           C  \\nATOM    589  C   ASP A  72      20.672 -23.728 -17.839  1.00 13.46           C  \\nATOM    590  O   ASP A  72      20.747 -24.804 -17.204  1.00 13.48           O  \\nATOM    591  CB AASP A  72      19.131 -23.105 -19.725  0.50 12.21           C  \\nATOM    592  CB BASP A  72      19.066 -23.195 -19.680  0.50 10.51           C  \\nATOM    593  CG AASP A  72      18.850 -24.456 -20.279  0.50 15.38           C  \\nATOM    594  CG BASP A  72      18.935 -24.600 -20.185  0.25  9.93           C  \\nATOM    595  OD1AASP A  72      18.703 -25.384 -19.461  0.50 14.46           O  \\nATOM    596  OD1BASP A  72      17.767 -25.017 -20.398  0.25 10.93           O  \\nATOM    597  OD2AASP A  72      18.757 -24.584 -21.537  0.50 17.74           O  \\nATOM    598  OD2BASP A  72      19.987 -25.267 -20.383  0.25  2.00           O  \\nATOM    599  N   ALA A  73      21.753 -23.034 -18.193  1.00 14.64           N  \\nATOM    600  CA  ALA A  73      23.066 -23.541 -17.803  1.00 16.63           C  \\nATOM    601  C   ALA A  73      23.235 -23.723 -16.280  1.00 15.99           C  \\nATOM    602  O   ALA A  73      23.863 -24.709 -15.861  1.00 16.82           O  \\nATOM    603  CB  ALA A  73      24.160 -22.645 -18.298  1.00 18.31           C  \\nATOM    604  N   ALA A  74      22.722 -22.800 -15.474  1.00 15.03           N  \\nATOM    605  CA  ALA A  74      22.859 -22.917 -13.996  1.00 14.63           C  \\nATOM    606  C   ALA A  74      22.242 -24.300 -13.543  1.00 14.71           C  \\nATOM    607  O   ALA A  74      22.849 -25.018 -12.790  1.00 15.11           O  \\nATOM    608  CB  ALA A  74      22.249 -21.719 -13.277  1.00 12.58           C  \\nATOM    609  N   VAL A  75      21.082 -24.664 -14.104  1.00 14.47           N  \\nATOM    610  CA  VAL A  75      20.326 -25.869 -13.679  1.00 15.31           C  \\nATOM    611  C   VAL A  75      21.103 -27.088 -14.098  1.00 16.89           C  \\nATOM    612  O   VAL A  75      21.338 -28.031 -13.300  1.00 16.13           O  \\nATOM    613  CB  VAL A  75      18.931 -25.940 -14.349  1.00 15.57           C  \\nATOM    614  CG1 VAL A  75      18.206 -27.287 -13.927  1.00 12.54           C  \\nATOM    615  CG2 VAL A  75      18.149 -24.774 -13.967  1.00 13.69           C  \\nATOM    616  N   ARG A  76      21.502 -27.052 -15.375  1.00 17.86           N  \\nATOM    617  CA  ARG A  76      22.166 -28.157 -15.972  1.00 18.45           C  \\nATOM    618  C   ARG A  76      23.495 -28.366 -15.231  1.00 18.97           C  \\nATOM    619  O   ARG A  76      23.886 -29.522 -15.042  1.00 18.42           O  \\nATOM    620  CB  ARG A  76      22.347 -27.987 -17.489  1.00 18.37           C  \\nATOM    621  CG  ARG A  76      21.030 -28.084 -18.280  1.00 21.02           C  \\nATOM    622  CD  ARG A  76      20.234 -29.467 -18.062  1.00 23.30           C  \\nATOM    623  NE  ARG A  76      20.859 -30.673 -18.667  1.00 24.78           N  \\nATOM    624  CZ  ARG A  76      20.870 -30.966 -19.981  1.00 24.82           C  \\nATOM    625  NH1 ARG A  76      20.309 -30.137 -20.881  1.00 23.72           N  \\nATOM    626  NH2 ARG A  76      21.417 -32.123 -20.383  1.00 21.50           N  \\nATOM    627  N   GLY A  77      24.123 -27.266 -14.783  1.00 17.52           N  \\nATOM    628  CA  GLY A  77      25.342 -27.371 -13.980  1.00 18.05           C  \\nATOM    629  C   GLY A  77      25.118 -28.051 -12.621  1.00 18.04           C  \\nATOM    630  O   GLY A  77      25.866 -28.978 -12.226  1.00 18.57           O  \\nATOM    631  N   ILE A  78      24.052 -27.641 -11.954  1.00 14.98           N  \\nATOM    632  CA  ILE A  78      23.681 -28.257 -10.693  1.00 15.97           C  \\nATOM    633  C   ILE A  78      23.470 -29.793 -10.905  1.00 16.71           C  \\nATOM    634  O   ILE A  78      24.019 -30.638 -10.151  1.00 16.13           O  \\nATOM    635  CB  ILE A  78      22.387 -27.607 -10.169  1.00 15.31           C  \\nATOM    636  CG1 ILE A  78      22.703 -26.258  -9.543  1.00 13.49           C  \\nATOM    637  CG2 ILE A  78      21.706 -28.544  -9.127  1.00 13.94           C  \\nATOM    638  CD1 ILE A  78      21.429 -25.340  -9.385  1.00 12.53           C  \\nATOM    639  N   LEU A  79      22.708 -30.137 -11.956  1.00 17.70           N  \\nATOM    640  CA  LEU A  79      22.342 -31.549 -12.249  1.00 18.29           C  \\nATOM    641  C   LEU A  79      23.567 -32.381 -12.593  1.00 19.08           C  \\nATOM    642  O   LEU A  79      23.559 -33.554 -12.312  1.00 20.14           O  \\nATOM    643  CB  LEU A  79      21.271 -31.636 -13.343  1.00 16.98           C  \\nATOM    644  CG  LEU A  79      19.942 -30.927 -13.080  1.00 18.32           C  \\nATOM    645  CD1 LEU A  79      18.969 -31.311 -14.196  1.00 20.14           C  \\nATOM    646  CD2 LEU A  79      19.316 -31.280 -11.687  1.00 14.70           C  \\nATOM    647  N   ARG A  80      24.639 -31.761 -13.106  1.00 20.00           N  \\nATOM    648  CA AARG A  80      25.922 -32.396 -13.482  0.50 21.00           C  \\nATOM    649  CA BARG A  80      25.851 -32.517 -13.445  0.50 21.04           C  \\nATOM    650  C   ARG A  80      26.840 -32.580 -12.270  1.00 21.27           C  \\nATOM    651  O   ARG A  80      27.798 -33.332 -12.294  1.00 21.73           O  \\nATOM    652  CB AARG A  80      26.679 -31.500 -14.496  0.50 20.88           C  \\nATOM    653  CB BARG A  80      26.521 -31.955 -14.712  0.50 21.20           C  \\nATOM    654  CG AARG A  80      26.661 -31.978 -15.932  0.50 21.97           C  \\nATOM    655  CG BARG A  80      25.714 -32.242 -15.982  0.50 22.66           C  \\nATOM    656  CD AARG A  80      27.524 -31.088 -16.870  0.50 21.53           C  \\nATOM    657  CD BARG A  80      26.428 -31.725 -17.224  0.50 21.75           C  \\nATOM    658  NE AARG A  80      26.737 -30.102 -17.636  0.50 22.62           N  \\nATOM    659  NE BARG A  80      25.862 -30.471 -17.728  0.50 25.51           N  \\nATOM    660  CZ AARG A  80      26.769 -28.788 -17.456  0.50 17.84           C  \\nATOM    661  CZ BARG A  80      25.006 -30.421 -18.737  0.50 22.61           C  \\nATOM    662  NH1AARG A  80      27.557 -28.243 -16.540  0.50 20.02           N  \\nATOM    663  NH1BARG A  80      24.649 -31.545 -19.324  0.50 24.25           N  \\nATOM    664  NH2AARG A  80      26.024 -28.018 -18.226  0.50 20.52           N  \\nATOM    665  NH2BARG A  80      24.535 -29.263 -19.166  0.50 22.32           N  \\nATOM    666  N   ASN A  81      26.536 -31.869 -11.203  1.00 20.47           N  \\nATOM    667  CA  ASN A  81      27.380 -31.831 -10.030  1.00 18.36           C  \\nATOM    668  C   ASN A  81      26.972 -32.828  -8.945  1.00 16.30           C  \\nATOM    669  O   ASN A  81      25.905 -32.741  -8.334  1.00 16.06           O  \\nATOM    670  CB  ASN A  81      27.447 -30.405  -9.547  1.00 18.17           C  \\nATOM    671  CG  ASN A  81      28.455 -30.186  -8.428  1.00 18.04           C  \\nATOM    672  OD1 ASN A  81      28.467 -30.868  -7.416  1.00 18.71           O  \\nATOM    673  ND2 ASN A  81      29.217 -29.158  -8.563  1.00 16.25           N  \\nATOM    674  N   ALA A  82      27.848 -33.795  -8.728  1.00 16.51           N  \\nATOM    675  CA  ALA A  82      27.607 -34.849  -7.726  1.00 17.01           C  \\nATOM    676  C   ALA A  82      27.338 -34.313  -6.348  1.00 16.74           C  \\nATOM    677  O   ALA A  82      26.596 -34.947  -5.598  1.00 17.60           O  \\nATOM    678  CB  ALA A  82      28.775 -35.854  -7.667  1.00 16.45           C  \\nATOM    679  N   LYS A  83      28.010 -33.219  -5.938  1.00 17.87           N  \\nATOM    680  CA  LYS A  83      27.694 -32.636  -4.634  1.00 18.19           C  \\nATOM    681  C   LYS A  83      26.325 -31.918  -4.610  1.00 16.92           C  \\nATOM    682  O   LYS A  83      25.613 -31.921  -3.576  1.00 15.75           O  \\nATOM    683  CB  LYS A  83      28.770 -31.632  -4.191  1.00 21.02           C  \\nATOM    684  CG  LYS A  83      30.229 -32.140  -3.925  1.00 21.08           C  \\nATOM    685  CD  LYS A  83      30.272 -33.505  -3.162  1.00 25.06           C  \\nATOM    686  CE  LYS A  83      31.717 -34.072  -3.176  0.50 22.78           C  \\nATOM    687  NZ  LYS A  83      31.791 -35.494  -2.660  0.50 21.91           N  \\nATOM    688  N   LEU A  84      25.966 -31.254  -5.698  1.00 15.29           N  \\nATOM    689  CA  LEU A  84      24.751 -30.451  -5.706  1.00 13.58           C  \\nATOM    690  C   LEU A  84      23.466 -31.194  -6.041  1.00 12.55           C  \\nATOM    691  O   LEU A  84      22.428 -30.921  -5.469  1.00 11.18           O  \\nATOM    692  CB  LEU A  84      24.852 -29.184  -6.614  1.00 13.15           C  \\nATOM    693  CG  LEU A  84      26.065 -28.311  -6.204  1.00 15.68           C  \\nATOM    694  CD1 LEU A  84      26.191 -27.075  -7.087  1.00 16.32           C  \\nATOM    695  CD2 LEU A  84      25.995 -27.895  -4.722  1.00 14.11           C  \\nATOM    696  N   LYS A  85      23.515 -32.069  -7.022  1.00 13.06           N  \\nATOM    697  CA  LYS A  85      22.313 -32.704  -7.507  1.00 12.55           C  \\nATOM    698  C   LYS A  85      21.534 -33.396  -6.373  1.00 12.36           C  \\nATOM    699  O   LYS A  85      20.339 -33.227  -6.321  1.00 11.04           O  \\nATOM    700  CB  LYS A  85      22.673 -33.751  -8.539  1.00 12.48           C  \\nATOM    701  CG  LYS A  85      21.472 -34.332  -9.236  1.00 14.44           C  \\nATOM    702  CD  LYS A  85      21.993 -35.262 -10.277  1.00 15.12           C  \\nATOM    703  CE  LYS A  85      20.899 -35.812 -11.231  1.00 21.52           C  \\nATOM    704  NZ  LYS A  85      19.645 -36.159 -10.573  1.00 27.30           N  \\nATOM    705  N   PRO A  86      22.209 -34.190  -5.494  1.00 13.36           N  \\nATOM    706  CA  PRO A  86      21.280 -34.862  -4.535  1.00 15.21           C  \\nATOM    707  C   PRO A  86      20.522 -33.860  -3.645  1.00 13.25           C  \\nATOM    708  O   PRO A  86      19.345 -34.059  -3.320  1.00 16.43           O  \\nATOM    709  CB  PRO A  86      22.178 -35.800  -3.746  1.00 15.18           C  \\nATOM    710  CG  PRO A  86      23.555 -35.276  -3.923  1.00 17.57           C  \\nATOM    711  CD  PRO A  86      23.593 -34.585  -5.289  1.00 14.59           C  \\nATOM    712  N   VAL A  87      21.162 -32.734  -3.333  1.00 12.97           N  \\nATOM    713  CA  VAL A  87      20.538 -31.742  -2.481  1.00 11.84           C  \\nATOM    714  C   VAL A  87      19.384 -31.031  -3.215  1.00 10.58           C  \\nATOM    715  O   VAL A  87      18.285 -30.956  -2.712  1.00 11.03           O  \\nATOM    716  CB  VAL A  87      21.580 -30.741  -1.902  1.00 10.54           C  \\nATOM    717  CG1 VAL A  87      20.855 -29.791  -0.991  1.00  9.28           C  \\nATOM    718  CG2 VAL A  87      22.690 -31.532  -1.118  1.00  8.89           C  \\nATOM    719  N   TYR A  88      19.657 -30.592  -4.441  1.00 11.45           N  \\nATOM    720  CA  TYR A  88      18.735 -29.889  -5.249  1.00 11.18           C  \\nATOM    721  C   TYR A  88      17.515 -30.773  -5.493  1.00 10.20           C  \\nATOM    722  O   TYR A  88      16.374 -30.335  -5.311  1.00 11.44           O  \\nATOM    723  CB  TYR A  88      19.432 -29.606  -6.576  1.00 12.02           C  \\nATOM    724  CG  TYR A  88      18.583 -28.932  -7.610  1.00 13.71           C  \\nATOM    725  CD1 TYR A  88      18.417 -27.497  -7.637  1.00 14.57           C  \\nATOM    726  CD2 TYR A  88      17.953 -29.679  -8.563  1.00 18.15           C  \\nATOM    727  CE1 TYR A  88      17.638 -26.906  -8.601  1.00 14.02           C  \\nATOM    728  CE2 TYR A  88      17.170 -29.092  -9.528  1.00 16.88           C  \\nATOM    729  CZ  TYR A  88      17.019 -27.705  -9.560  1.00 18.17           C  \\nATOM    730  OH  TYR A  88      16.204 -27.127 -10.551  1.00 19.79           O  \\nATOM    731  N   ASP A  89      17.776 -32.049  -5.774  1.00 10.74           N  \\nATOM    732  CA  ASP A  89      16.674 -33.006  -6.065  1.00 12.94           C  \\nATOM    733  C   ASP A  89      15.829 -33.304  -4.823  1.00 12.44           C  \\nATOM    734  O   ASP A  89      14.621 -33.549  -4.925  1.00 13.04           O  \\nATOM    735  CB  ASP A  89      17.194 -34.257  -6.743  1.00 13.12           C  \\nATOM    736  CG  ASP A  89      17.303 -34.074  -8.236  1.00 13.91           C  \\nATOM    737  OD1 ASP A  89      16.892 -33.042  -8.766  1.00 15.52           O  \\nATOM    738  OD2 ASP A  89      17.756 -34.978  -8.898  1.00 21.38           O  \\nATOM    739  N   SER A  90      16.409 -33.106  -3.638  1.00 11.72           N  \\nATOM    740  CA  SER A  90      15.660 -33.220  -2.405  1.00 10.95           C  \\nATOM    741  C   SER A  90      14.740 -32.080  -2.107  1.00 10.69           C  \\nATOM    742  O   SER A  90      13.852 -32.248  -1.280  1.00 12.25           O  \\nATOM    743  CB  SER A  90      16.581 -33.479  -1.198  1.00 12.41           C  \\nATOM    744  OG  SER A  90      17.194 -32.313  -0.763  1.00 11.47           O  \\nATOM    745  N   LEU A  91      14.952 -30.915  -2.737  1.00  9.12           N  \\nATOM    746  CA  LEU A  91      14.219 -29.656  -2.481  1.00 10.06           C  \\nATOM    747  C   LEU A  91      12.899 -29.664  -3.226  1.00 11.73           C  \\nATOM    748  O   LEU A  91      12.775 -30.329  -4.247  1.00 12.75           O  \\nATOM    749  CB  LEU A  91      15.033 -28.380  -2.897  1.00  9.72           C  \\nATOM    750  CG  LEU A  91      16.397 -28.299  -2.172  1.00 10.30           C  \\nATOM    751  CD1 LEU A  91      17.225 -27.138  -2.620  1.00  9.12           C  \\nATOM    752  CD2 LEU A  91      16.127 -28.114  -0.655  1.00  7.71           C  \\nATOM    753  N   ASP A  92      11.901 -29.001  -2.645  1.00  9.35           N  \\nATOM    754  CA  ASP A  92      10.708 -28.583  -3.358  1.00 10.21           C  \\nATOM    755  C   ASP A  92      11.087 -27.496  -4.376  1.00 10.92           C  \\nATOM    756  O   ASP A  92      12.196 -26.961  -4.323  1.00  8.42           O  \\nATOM    757  CB  ASP A  92       9.779 -27.935  -2.344  1.00  9.21           C  \\nATOM    758  CG  ASP A  92      10.462 -26.795  -1.590  1.00 11.69           C  \\nATOM    759  OD1 ASP A  92      10.324 -25.664  -2.069  1.00 11.88           O  \\nATOM    760  OD2 ASP A  92      11.169 -27.048  -0.563  1.00  8.60           O  \\nATOM    761  N   ALA A  93      10.135 -27.105  -5.210  1.00 11.76           N  \\nATOM    762  CA  ALA A  93      10.459 -26.266  -6.361  1.00 11.76           C  \\nATOM    763  C   ALA A  93      10.819 -24.799  -5.973  1.00 12.10           C  \\nATOM    764  O   ALA A  93      11.607 -24.135  -6.660  1.00 13.45           O  \\nATOM    765  CB  ALA A  93       9.300 -26.308  -7.353  1.00 12.18           C  \\nATOM    766  N   VAL A  94      10.265 -24.324  -4.887  1.00 10.43           N  \\nATOM    767  CA  VAL A  94      10.563 -22.938  -4.494  1.00 10.59           C  \\nATOM    768  C   VAL A  94      12.014 -22.930  -3.997  1.00 11.05           C  \\nATOM    769  O   VAL A  94      12.808 -22.118  -4.468  1.00 10.69           O  \\nATOM    770  CB  VAL A  94       9.579 -22.389  -3.465  1.00 10.05           C  \\nATOM    771  CG1 VAL A  94       9.988 -20.922  -3.089  1.00 11.85           C  \\nATOM    772  CG2 VAL A  94       8.204 -22.392  -4.010  1.00 12.61           C  \\nATOM    773  N   ARG A  95      12.371 -23.875  -3.110  1.00  8.92           N  \\nATOM    774  CA  ARG A  95      13.760 -23.926  -2.600  1.00  9.62           C  \\nATOM    775  C   ARG A  95      14.742 -24.247  -3.756  1.00  9.72           C  \\nATOM    776  O   ARG A  95      15.857 -23.756  -3.748  1.00  8.79           O  \\nATOM    777  CB  ARG A  95      13.836 -24.966  -1.488  1.00 11.89           C  \\nATOM    778  CG  ARG A  95      13.277 -24.382  -0.244  1.00 10.80           C  \\nATOM    779  CD  ARG A  95      13.419 -25.320   0.867  1.00 11.93           C  \\nATOM    780  NE  ARG A  95      12.876 -24.781   2.106  1.00 11.55           N  \\nATOM    781  CZ  ARG A  95      11.655 -25.119   2.579  1.00 11.32           C  \\nATOM    782  NH1 ARG A  95      10.848 -25.885   1.879  1.00 12.81           N  \\nATOM    783  NH2 ARG A  95      11.211 -24.679   3.739  1.00 11.15           N  \\nATOM    784  N   ARG A  96      14.345 -25.065  -4.745  1.00  9.12           N  \\nATOM    785  CA AARG A  96      15.185 -25.273  -5.950  0.50  8.63           C  \\nATOM    786  CA BARG A  96      15.176 -25.279  -5.959  0.50  8.79           C  \\nATOM    787  C   ARG A  96      15.495 -23.932  -6.656  1.00  7.08           C  \\nATOM    788  O   ARG A  96      16.568 -23.755  -7.190  1.00  8.19           O  \\nATOM    789  CB AARG A  96      14.515 -26.228  -6.922  0.50  8.23           C  \\nATOM    790  CB BARG A  96      14.503 -26.246  -6.932  0.50  8.34           C  \\nATOM    791  CG AARG A  96      14.768 -27.705  -6.629  0.50  9.50           C  \\nATOM    792  CG BARG A  96      14.639 -27.724  -6.525  0.50 10.32           C  \\nATOM    793  CD AARG A  96      13.742 -28.551  -7.424  0.50 10.51           C  \\nATOM    794  CD BARG A  96      14.291 -28.742  -7.662  0.50  9.14           C  \\nATOM    795  NE AARG A  96      13.699 -29.939  -6.952  0.50  6.20           N  \\nATOM    796  NE BARG A  96      13.056 -28.510  -8.408  0.50  9.17           N  \\nATOM    797  CZ AARG A  96      13.153 -30.933  -7.645  0.50  6.83           C  \\nATOM    798  CZ BARG A  96      11.821 -28.918  -8.093  0.50 11.58           C  \\nATOM    799  NH1AARG A  96      12.587 -30.642  -8.813  0.50  8.36           N  \\nATOM    800  NH1BARG A  96      11.577 -29.569  -6.966  0.50 10.45           N  \\nATOM    801  NH2AARG A  96      13.157 -32.198  -7.165  0.50  5.25           N  \\nATOM    802  NH2BARG A  96      10.794 -28.646  -8.925  0.50 11.70           N  \\nATOM    803  N   CYS A  97      14.542 -22.988  -6.653  1.00  8.69           N  \\nATOM    804  CA  CYS A  97      14.791 -21.653  -7.256  1.00  8.03           C  \\nATOM    805  C   CYS A  97      15.864 -20.875  -6.507  1.00  8.90           C  \\nATOM    806  O   CYS A  97      16.715 -20.228  -7.101  1.00 10.59           O  \\nATOM    807  CB  CYS A  97      13.521 -20.831  -7.294  1.00  7.91           C  \\nATOM    808  SG  CYS A  97      12.333 -21.430  -8.509  1.00 12.20           S  \\nATOM    809  N   ALA A  98      15.833 -21.000  -5.191  1.00  9.06           N  \\nATOM    810  CA  ALA A  98      16.902 -20.479  -4.327  1.00  8.80           C  \\nATOM    811  C   ALA A  98      18.283 -21.031  -4.676  1.00  8.73           C  \\nATOM    812  O   ALA A  98      19.300 -20.264  -4.795  1.00 10.13           O  \\nATOM    813  CB  ALA A  98      16.518 -20.760  -2.798  1.00  5.17           C  \\nATOM    814  N   ALA A  99      18.337 -22.353  -4.875  1.00  8.14           N  \\nATOM    815  CA  ALA A  99      19.545 -22.977  -5.293  1.00  9.46           C  \\nATOM    816  C   ALA A  99      20.063 -22.509  -6.628  1.00  8.72           C  \\nATOM    817  O   ALA A  99      21.288 -22.348  -6.795  1.00  9.14           O  \\nATOM    818  CB  ALA A  99      19.425 -24.530  -5.246  1.00  7.90           C  \\nATOM    819  N   ILE A 100      19.163 -22.333  -7.599  1.00 10.00           N  \\nATOM    820  CA  ILE A 100      19.533 -21.873  -8.925  1.00 11.25           C  \\nATOM    821  C   ILE A 100      20.058 -20.454  -8.854  1.00 10.47           C  \\nATOM    822  O   ILE A 100      21.064 -20.119  -9.507  1.00 10.91           O  \\nATOM    823  CB  ILE A 100      18.330 -21.935  -9.943  1.00 11.12           C  \\nATOM    824  CG1 ILE A 100      17.993 -23.392 -10.240  1.00 11.84           C  \\nATOM    825  CG2 ILE A 100      18.754 -21.252 -11.335  1.00 12.33           C  \\nATOM    826  CD1 ILE A 100      16.597 -23.601 -10.710  1.00 10.89           C  \\nATOM    827  N   ASN A 101      19.396 -19.643  -8.053  1.00  9.60           N  \\nATOM    828  CA  ASN A 101      19.780 -18.251  -7.858  1.00  9.45           C  \\nATOM    829  C   ASN A 101      21.190 -18.228  -7.300  1.00  9.85           C  \\nATOM    830  O   ASN A 101      22.059 -17.570  -7.844  1.00  7.36           O  \\nATOM    831  CB  ASN A 101      18.757 -17.616  -6.863  1.00  9.79           C  \\nATOM    832  CG  ASN A 101      18.899 -16.124  -6.756  1.00 11.86           C  \\nATOM    833  OD1 ASN A 101      20.001 -15.604  -6.532  1.00  8.31           O  \\nATOM    834  ND2 ASN A 101      17.803 -15.423  -6.923  1.00  8.50           N  \\nATOM    835  N   GLN A 102      21.432 -18.962  -6.208  1.00 10.12           N  \\nATOM    836  CA AGLN A 102      22.773 -19.016  -5.648  0.50 10.25           C  \\nATOM    837  CA BGLN A 102      22.780 -19.057  -5.640  0.50 10.50           C  \\nATOM    838  C   GLN A 102      23.869 -19.402  -6.676  1.00 11.18           C  \\nATOM    839  O   GLN A 102      24.889 -18.719  -6.760  1.00 10.66           O  \\nATOM    840  CB AGLN A 102      22.835 -19.912  -4.426  0.50 10.09           C  \\nATOM    841  CB BGLN A 102      22.815 -20.067  -4.510  0.50 10.33           C  \\nATOM    842  CG AGLN A 102      23.964 -19.497  -3.556  0.50  7.11           C  \\nATOM    843  CG BGLN A 102      22.822 -19.432  -3.151  0.50  9.08           C  \\nATOM    844  CD AGLN A 102      24.309 -20.473  -2.472  0.50  6.99           C  \\nATOM    845  CD BGLN A 102      23.305 -20.387  -2.078  0.50  7.94           C  \\nATOM    846  OE1AGLN A 102      24.096 -21.672  -2.600  0.50 12.92           O  \\nATOM    847  OE1BGLN A 102      22.987 -21.565  -2.092  0.50 16.10           O  \\nATOM    848  NE2AGLN A 102      24.931 -19.974  -1.427  0.50  7.77           N  \\nATOM    849  NE2BGLN A 102      24.063 -19.892  -1.164  0.50 10.57           N  \\nATOM    850  N   VAL A 103      23.649 -20.480  -7.431  1.00 10.87           N  \\nATOM    851  CA  VAL A 103      24.582 -20.956  -8.454  1.00 12.09           C  \\nATOM    852  C   VAL A 103      24.760 -19.919  -9.574  1.00 13.15           C  \\nATOM    853  O   VAL A 103      25.904 -19.673  -9.954  1.00 15.38           O  \\nATOM    854  CB  VAL A 103      24.236 -22.345  -8.974  1.00 13.34           C  \\nATOM    855  CG1 VAL A 103      25.129 -22.758 -10.142  1.00 14.34           C  \\nATOM    856  CG2 VAL A 103      24.491 -23.354  -7.840  1.00 11.72           C  \\nATOM    857  N   PHE A 104      23.663 -19.274 -10.027  1.00 12.45           N  \\nATOM    858  CA  PHE A 104      23.679 -18.145 -10.975  1.00 10.68           C  \\nATOM    859  C   PHE A 104      24.623 -17.044 -10.501  1.00 12.64           C  \\nATOM    860  O   PHE A 104      25.468 -16.555 -11.272  1.00 11.51           O  \\nATOM    861  CB  PHE A 104      22.257 -17.576 -11.180  1.00 11.00           C  \\nATOM    862  CG  PHE A 104      22.122 -16.652 -12.320  1.00  8.36           C  \\nATOM    863  CD1 PHE A 104      21.583 -17.092 -13.538  1.00 11.61           C  \\nATOM    864  CD2 PHE A 104      22.466 -15.320 -12.194  1.00  8.67           C  \\nATOM    865  CE1 PHE A 104      21.421 -16.175 -14.612  1.00  9.36           C  \\nATOM    866  CE2 PHE A 104      22.340 -14.431 -13.254  1.00 13.27           C  \\nATOM    867  CZ  PHE A 104      21.822 -14.865 -14.465  1.00 13.38           C  \\nATOM    868  N   GLN A 105      24.502 -16.649  -9.236  1.00 12.72           N  \\nATOM    869  CA  GLN A 105      25.319 -15.563  -8.728  1.00 15.86           C  \\nATOM    870  C   GLN A 105      26.751 -16.004  -8.510  1.00 17.35           C  \\nATOM    871  O   GLN A 105      27.691 -15.248  -8.830  1.00 17.48           O  \\nATOM    872  CB  GLN A 105      24.745 -15.058  -7.405  1.00 15.76           C  \\nATOM    873  CG  GLN A 105      25.578 -13.964  -6.774  1.00 14.27           C  \\nATOM    874  CD  GLN A 105      24.990 -13.465  -5.475  1.00 13.91           C  \\nATOM    875  OE1 GLN A 105      24.073 -14.069  -4.896  1.00 12.77           O  \\nATOM    876  NE2 GLN A 105      25.583 -12.422  -4.952  1.00 12.88           N  \\nATOM    877  N   MET A 106      26.911 -17.182  -7.927  1.00 16.86           N  \\nATOM    878  CA  MET A 106      28.168 -17.555  -7.304  1.00 19.93           C  \\nATOM    879  C   MET A 106      28.992 -18.528  -8.154  1.00 20.32           C  \\nATOM    880  O   MET A 106      30.235 -18.672  -7.947  1.00 19.35           O  \\nATOM    881  CB  MET A 106      27.924 -18.205  -5.934  1.00 18.60           C  \\nATOM    882  CG  MET A 106      27.386 -17.295  -4.850  1.00 21.31           C  \\nATOM    883  SD  MET A 106      27.471 -18.195  -3.241  1.00 24.31           S  \\nATOM    884  CE  MET A 106      29.254 -18.219  -3.077  1.00 21.71           C  \\nATOM    885  N   GLY A 107      28.305 -19.212  -9.072  1.00 19.11           N  \\nATOM    886  CA  GLY A 107      28.899 -20.293  -9.766  1.00 21.79           C  \\nATOM    887  C   GLY A 107      28.906 -21.551  -8.895  1.00 24.35           C  \\nATOM    888  O   GLY A 107      28.893 -21.551  -7.636  1.00 24.08           O  \\nATOM    889  N   GLU A 108      28.923 -22.661  -9.585  1.00 26.03           N  \\nATOM    890  CA  GLU A 108      28.804 -23.952  -8.941  1.00 27.70           C  \\nATOM    891  C   GLU A 108      30.069 -24.412  -8.154  1.00 28.39           C  \\nATOM    892  O   GLU A 108      29.948 -25.152  -7.168  1.00 30.18           O  \\nATOM    893  CB  GLU A 108      28.274 -24.891 -10.014  1.00 28.40           C  \\nATOM    894  CG  GLU A 108      28.614 -26.283  -9.905  1.00 30.02           C  \\nATOM    895  CD  GLU A 108      28.600 -26.900 -11.263  1.00 32.60           C  \\nATOM    896  OE1 GLU A 108      27.873 -26.389 -12.154  1.00 29.69           O  \\nATOM    897  OE2 GLU A 108      29.348 -27.896 -11.440  1.00 38.04           O  \\nATOM    898  N   THR A 109      31.250 -23.886  -8.486  0.50 27.47           N  \\nATOM    899  CA  THR A 109      32.414 -23.973  -7.598  0.50 26.96           C  \\nATOM    900  C   THR A 109      32.076 -23.316  -6.277  0.50 27.19           C  \\nATOM    901  O   THR A 109      32.057 -23.938  -5.197  0.50 26.88           O  \\nATOM    902  CB  THR A 109      33.597 -23.192  -8.190  0.50 26.80           C  \\nATOM    903  OG1 THR A 109      34.004 -23.821  -9.398  0.50 25.74           O  \\nATOM    904  CG2 THR A 109      34.768 -23.122  -7.219  0.50 26.77           C  \\nATOM    905  N   GLY A 110      31.829 -22.023  -6.405  1.00 27.36           N  \\nATOM    906  CA  GLY A 110      31.351 -21.143  -5.339  1.00 27.49           C  \\nATOM    907  C   GLY A 110      30.484 -21.680  -4.232  1.00 26.84           C  \\nATOM    908  O   GLY A 110      30.497 -21.143  -3.107  0.50 26.84           O  \\nATOM    909  N   VAL A 111      29.723 -22.732  -4.522  1.00 26.45           N  \\nATOM    910  CA  VAL A 111      28.772 -23.259  -3.532  1.00 26.47           C  \\nATOM    911  C   VAL A 111      28.878 -24.772  -3.281  1.00 25.98           C  \\nATOM    912  O   VAL A 111      28.406 -25.246  -2.229  1.00 26.31           O  \\nATOM    913  CB  VAL A 111      27.296 -22.956  -3.901  1.00 26.12           C  \\nATOM    914  CG1 VAL A 111      27.140 -21.547  -4.341  1.00 27.99           C  \\nATOM    915  CG2 VAL A 111      26.880 -23.853  -5.024  1.00 28.79           C  \\nATOM    916  N   ALA A 112      29.420 -25.534  -4.240  0.50 23.07           N  \\nATOM    917  CA  ALA A 112      29.546 -26.957  -4.037  0.50 21.62           C  \\nATOM    918  C   ALA A 112      30.355 -27.117  -2.781  0.50 20.44           C  \\nATOM    919  O   ALA A 112      30.278 -28.151  -2.113  0.50 19.71           O  \\nATOM    920  CB  ALA A 112      30.236 -27.620  -5.226  0.50 20.80           C  \\nATOM    921  N   GLY A 113      31.132 -26.077  -2.463  0.50 20.03           N  \\nATOM    922  CA  GLY A 113      31.970 -26.087  -1.267  0.50 20.03           C  \\nATOM    923  C   GLY A 113      31.194 -25.989   0.020  0.50 20.96           C  \\nATOM    924  O   GLY A 113      31.684 -26.463   1.023  0.50 21.46           O  \\nATOM    925  N   PHE A 114      29.986 -25.378  -0.004  0.50 21.11           N  \\nATOM    926  CA  PHE A 114      29.126 -25.087   1.195  1.00 20.65           C  \\nATOM    927  C   PHE A 114      28.571 -26.368   1.851  1.00 20.80           C  \\nATOM    928  O   PHE A 114      27.332 -26.502   2.086  1.00 20.43           O  \\nATOM    929  CB  PHE A 114      27.883 -24.332   0.771  1.00 20.55           C  \\nATOM    930  CG  PHE A 114      28.052 -22.879   0.652  1.00 21.45           C  \\nATOM    931  CD1 PHE A 114      29.220 -22.324   0.121  1.00 22.63           C  \\nATOM    932  CD2 PHE A 114      27.034 -22.035   1.068  1.00 21.02           C  \\nATOM    933  CE1 PHE A 114      29.361 -20.954  -0.006  1.00 22.30           C  \\nATOM    934  CE2 PHE A 114      27.166 -20.649   0.963  1.00 21.56           C  \\nATOM    935  CZ  PHE A 114      28.325 -20.124   0.398  1.00 17.62           C  \\nATOM    936  N   THR A 115      29.475 -27.271   2.169  1.00 20.48           N  \\nATOM    937  CA  THR A 115      29.179 -28.577   2.662  1.00 20.41           C  \\nATOM    938  C   THR A 115      28.165 -28.563   3.794  1.00 20.50           C  \\nATOM    939  O   THR A 115      27.201 -29.262   3.708  1.00 20.84           O  \\nATOM    940  CB  THR A 115      30.501 -29.245   3.078  1.00 20.89           C  \\nATOM    941  OG1 THR A 115      31.424 -29.087   1.987  1.00 23.33           O  \\nATOM    942  CG2 THR A 115      30.335 -30.728   3.347  1.00 18.66           C  \\nATOM    943  N   ASN A 116      28.371 -27.746   4.839  1.00 18.21           N  \\nATOM    944  CA  ASN A 116      27.469 -27.822   5.988  1.00 17.50           C  \\nATOM    945  C   ASN A 116      26.065 -27.346   5.652  1.00 13.78           C  \\nATOM    946  O   ASN A 116      25.105 -27.922   6.095  1.00 13.64           O  \\nATOM    947  CB  ASN A 116      28.106 -27.124   7.250  1.00 17.58           C  \\nATOM    948  CG  ASN A 116      29.504 -27.696   7.556  1.00 24.31           C  \\nATOM    949  OD1 ASN A 116      29.717 -28.907   7.411  1.00 29.56           O  \\nATOM    950  ND2 ASN A 116      30.470 -26.841   7.880  1.00 20.62           N  \\nATOM    951  N   SER A 117      25.952 -26.296   4.848  1.00 14.67           N  \\nATOM    952  CA  SER A 117      24.664 -25.789   4.444  1.00 12.70           C  \\nATOM    953  C   SER A 117      23.935 -26.835   3.589  1.00 13.95           C  \\nATOM    954  O   SER A 117      22.726 -26.999   3.751  1.00 11.13           O  \\nATOM    955  CB  SER A 117      24.749 -24.492   3.610  1.00 13.93           C  \\nATOM    956  OG  SER A 117      24.987 -23.395   4.421  1.00 16.91           O  \\nATOM    957  N   LEU A 118      24.680 -27.490   2.672  1.00 12.01           N  \\nATOM    958  CA  LEU A 118      24.140 -28.552   1.825  1.00 11.90           C  \\nATOM    959  C   LEU A 118      23.588 -29.687   2.682  1.00 12.14           C  \\nATOM    960  O   LEU A 118      22.451 -30.094   2.500  1.00 13.71           O  \\nATOM    961  CB  LEU A 118      25.203 -29.056   0.878  1.00 13.88           C  \\nATOM    962  CG  LEU A 118      25.595 -28.144  -0.309  1.00 12.09           C  \\nATOM    963  CD1 LEU A 118      26.960 -28.688  -0.910  1.00 13.87           C  \\nATOM    964  CD2 LEU A 118      24.462 -28.057  -1.353  1.00 16.87           C  \\nATOM    965  N   ARG A 119      24.386 -30.183   3.633  1.00 11.98           N  \\nATOM    966  CA  ARG A 119      23.886 -31.245   4.515  1.00 11.24           C  \\nATOM    967  C   ARG A 119      22.593 -30.742   5.202  1.00 11.22           C  \\nATOM    968  O   ARG A 119      21.570 -31.410   5.227  1.00  8.74           O  \\nATOM    969  CB  ARG A 119      24.954 -31.713   5.499  1.00 11.08           C  \\nATOM    970  CG  ARG A 119      24.600 -32.960   6.276  1.00 10.79           C  \\nATOM    971  CD  ARG A 119      25.527 -33.168   7.535  1.00 16.78           C  \\nATOM    972  NE  ARG A 119      25.625 -31.919   8.307  1.00 21.45           N  \\nATOM    973  CZ  ARG A 119      26.668 -31.083   8.324  1.00 29.04           C  \\nATOM    974  NH1 ARG A 119      26.543 -29.952   9.036  1.00 30.09           N  \\nATOM    975  NH2 ARG A 119      27.812 -31.376   7.662  1.00 25.65           N  \\nATOM    976  N   MET A 120      22.583 -29.522   5.725  1.00  9.62           N  \\nATOM    977  CA  MET A 120      21.418 -29.091   6.484  1.00 11.98           C  \\nATOM    978  C   MET A 120      20.134 -28.959   5.604  1.00 11.50           C  \\nATOM    979  O   MET A 120      19.002 -29.260   6.022  1.00  9.90           O  \\nATOM    980  CB  MET A 120      21.732 -27.796   7.222  1.00 11.41           C  \\nATOM    981  CG  MET A 120      22.750 -28.005   8.432  1.00 14.40           C  \\nATOM    982  SD  MET A 120      23.272 -26.344   8.882  1.00 16.62           S  \\nATOM    983  CE  MET A 120      24.670 -26.596   9.954  1.00 12.89           C  \\nATOM    984  N   LEU A 121      20.353 -28.505   4.371  1.00  8.95           N  \\nATOM    985  CA  LEU A 121      19.268 -28.354   3.446  1.00 10.95           C  \\nATOM    986  C   LEU A 121      18.731 -29.725   3.085  1.00  9.95           C  \\nATOM    987  O   LEU A 121      17.498 -29.930   3.091  1.00 10.79           O  \\nATOM    988  CB  LEU A 121      19.741 -27.609   2.202  1.00  9.04           C  \\nATOM    989  CG  LEU A 121      19.936 -26.112   2.375  1.00 11.90           C  \\nATOM    990  CD1 LEU A 121      20.679 -25.667   1.152  1.00 13.70           C  \\nATOM    991  CD2 LEU A 121      18.519 -25.356   2.591  1.00 11.27           C  \\nATOM    992  N   GLN A 122      19.663 -30.658   2.845  1.00 10.83           N  \\nATOM    993  CA  GLN A 122      19.257 -32.019   2.510  1.00 12.46           C  \\nATOM    994  C   GLN A 122      18.462 -32.615   3.648  1.00 12.54           C  \\nATOM    995  O   GLN A 122      17.474 -33.322   3.407  1.00 14.71           O  \\nATOM    996  CB  GLN A 122      20.407 -32.970   2.112  1.00 12.14           C  \\nATOM    997  CG  GLN A 122      19.742 -34.131   1.363  1.00 18.62           C  \\nATOM    998  CD  GLN A 122      20.606 -35.004   0.544  1.00 24.30           C  \\nATOM    999  OE1 GLN A 122      21.807 -34.819   0.482  1.00 27.12           O  \\nATOM   1000  NE2 GLN A 122      19.977 -36.021  -0.112  1.00 29.08           N  \\nATOM   1001  N   GLN A 123      18.911 -32.317   4.870  1.00 10.26           N  \\nATOM   1002  CA  GLN A 123      18.208 -32.763   6.077  1.00 12.09           C  \\nATOM   1003  C   GLN A 123      16.931 -32.015   6.330  1.00 10.49           C  \\nATOM   1004  O   GLN A 123      16.200 -32.435   7.234  1.00 10.22           O  \\nATOM   1005  CB  GLN A 123      19.106 -32.643   7.291  1.00 12.65           C  \\nATOM   1006  CG  GLN A 123      20.318 -33.565   7.214  1.00 14.54           C  \\nATOM   1007  CD  GLN A 123      21.269 -33.210   8.330  1.00 20.20           C  \\nATOM   1008  OE1 GLN A 123      21.588 -32.053   8.569  1.00 23.54           O  \\nATOM   1009  NE2 GLN A 123      21.653 -34.202   9.077  1.00 21.25           N  \\nATOM   1010  N   LYS A 124      16.695 -30.900   5.600  1.00  8.77           N  \\nATOM   1011  CA  LYS A 124      15.551 -30.031   5.775  1.00  9.57           C  \\nATOM   1012  C   LYS A 124      15.472 -29.396   7.157  1.00 10.32           C  \\nATOM   1013  O   LYS A 124      14.365 -29.133   7.691  1.00  8.99           O  \\nATOM   1014  CB  LYS A 124      14.224 -30.803   5.496  1.00 10.84           C  \\nATOM   1015  CG  LYS A 124      14.247 -31.517   4.127  1.00 10.03           C  \\nATOM   1016  CD  LYS A 124      12.790 -31.774   3.726  1.00 14.12           C  \\nATOM   1017  CE  LYS A 124      12.723 -32.564   2.425  1.00 13.03           C  \\nATOM   1018  NZ  LYS A 124      13.073 -31.565   1.389  1.00 11.75           N  \\nATOM   1019  N   ARG A 125      16.657 -29.170   7.740  1.00 11.02           N  \\nATOM   1020  CA  ARG A 125      16.816 -28.343   8.953  1.00 11.19           C  \\nATOM   1021  C   ARG A 125      16.901 -26.896   8.502  1.00 10.83           C  \\nATOM   1022  O   ARG A 125      17.994 -26.317   8.404  1.00  9.31           O  \\nATOM   1023  CB  ARG A 125      18.113 -28.762   9.609  1.00 11.56           C  \\nATOM   1024  CG  ARG A 125      18.068 -30.214  10.018  1.00 14.82           C  \\nATOM   1025  CD  ARG A 125      19.232 -30.566  10.788  1.00 17.30           C  \\nATOM   1026  NE  ARG A 125      18.951 -31.901  11.151  1.00 22.23           N  \\nATOM   1027  CZ  ARG A 125      19.706 -32.652  11.923  1.00 24.26           C  \\nATOM   1028  NH1 ARG A 125      20.837 -32.148  12.432  1.00 24.36           N  \\nATOM   1029  NH2 ARG A 125      19.320 -33.899  12.188  1.00 20.48           N  \\nATOM   1030  N   TRP A 126      15.746 -26.337   8.198  1.00 11.50           N  \\nATOM   1031  CA  TRP A 126      15.685 -25.119   7.433  1.00 11.31           C  \\nATOM   1032  C   TRP A 126      16.275 -23.953   8.184  1.00 10.57           C  \\nATOM   1033  O   TRP A 126      17.036 -23.165   7.611  1.00 10.01           O  \\nATOM   1034  CB  TRP A 126      14.257 -24.802   7.082  1.00 10.69           C  \\nATOM   1035  CG  TRP A 126      13.613 -25.871   6.252  1.00 10.97           C  \\nATOM   1036  CD1 TRP A 126      12.358 -26.454   6.493  1.00 10.96           C  \\nATOM   1037  CD2 TRP A 126      14.107 -26.481   5.039  1.00  8.18           C  \\nATOM   1038  NE1 TRP A 126      12.061 -27.350   5.497  1.00  7.24           N  \\nATOM   1039  CE2 TRP A 126      13.098 -27.377   4.586  1.00  7.76           C  \\nATOM   1040  CE3 TRP A 126      15.290 -26.325   4.258  1.00  8.21           C  \\nATOM   1041  CZ2 TRP A 126      13.245 -28.152   3.432  1.00  9.89           C  \\nATOM   1042  CZ3 TRP A 126      15.435 -27.102   3.119  1.00 11.23           C  \\nATOM   1043  CH2 TRP A 126      14.409 -28.011   2.710  1.00 12.37           C  \\nATOM   1044  N   ASP A 127      15.907 -23.826   9.446  1.00 10.56           N  \\nATOM   1045  CA  ASP A 127      16.403 -22.699  10.270  1.00 11.21           C  \\nATOM   1046  C   ASP A 127      17.898 -22.777  10.490  1.00 12.06           C  \\nATOM   1047  O   ASP A 127      18.585 -21.791  10.363  1.00 10.46           O  \\nATOM   1048  CB  ASP A 127      15.672 -22.650  11.597  1.00 11.48           C  \\nATOM   1049  CG  ASP A 127      14.328 -21.976  11.482  1.00 13.96           C  \\nATOM   1050  OD1 ASP A 127      13.703 -21.980  10.412  1.00 16.32           O  \\nATOM   1051  OD2 ASP A 127      13.868 -21.460  12.516  1.00 16.07           O  \\nATOM   1052  N   GLU A 128      18.406 -23.969  10.754  1.00 11.28           N  \\nATOM   1053  CA  GLU A 128      19.822 -24.183  10.852  1.00 10.84           C  \\nATOM   1054  C   GLU A 128      20.590 -23.895   9.551  1.00  9.95           C  \\nATOM   1055  O   GLU A 128      21.689 -23.278   9.605  1.00 10.56           O  \\nATOM   1056  CB  GLU A 128      20.059 -25.637  11.273  1.00 12.35           C  \\nATOM   1057  CG  GLU A 128      19.654 -25.892  12.743  1.00 14.29           C  \\nATOM   1058  CD  GLU A 128      19.518 -27.371  13.042  1.00 23.59           C  \\nATOM   1059  OE1 GLU A 128      20.571 -27.988  13.244  1.00 28.03           O  \\nATOM   1060  OE2 GLU A 128      18.393 -27.936  13.004  1.00 22.82           O  \\nATOM   1061  N   ALA A 129      20.059 -24.427   8.412  1.00  9.52           N  \\nATOM   1062  CA  ALA A 129      20.614 -24.150   7.121  1.00  8.08           C  \\nATOM   1063  C   ALA A 129      20.664 -22.660   6.960  1.00  9.66           C  \\nATOM   1064  O   ALA A 129      21.700 -22.135   6.548  1.00 10.47           O  \\nATOM   1065  CB  ALA A 129      19.752 -24.760   5.994  1.00  9.66           C  \\nATOM   1066  N   ALA A 130      19.540 -21.985   7.223  1.00  8.59           N  \\nATOM   1067  CA  ALA A 130      19.482 -20.501   7.031  1.00  9.27           C  \\nATOM   1068  C   ALA A 130      20.574 -19.751   7.877  1.00 11.55           C  \\nATOM   1069  O   ALA A 130      21.278 -18.835   7.360  1.00  9.06           O  \\nATOM   1070  CB  ALA A 130      18.069 -19.952   7.273  1.00 11.90           C  \\nATOM   1071  N   VAL A 131      20.722 -20.142   9.168  1.00  9.05           N  \\nATOM   1072  CA  VAL A 131      21.816 -19.616   9.977  1.00  9.62           C  \\nATOM   1073  C   VAL A 131      23.230 -19.906   9.329  1.00 10.40           C  \\nATOM   1074  O   VAL A 131      24.079 -18.998   9.194  1.00 11.43           O  \\nATOM   1075  CB  VAL A 131      21.717 -20.155  11.429  1.00  9.12           C  \\nATOM   1076  CG1 VAL A 131      23.013 -19.853  12.229  1.00  8.74           C  \\nATOM   1077  CG2 VAL A 131      20.483 -19.699  12.090  1.00  7.97           C  \\nATOM   1078  N   ASN A 132      23.468 -21.140   8.902  1.00  8.63           N  \\nATOM   1079  CA  ASN A 132      24.738 -21.475   8.298  1.00  9.35           C  \\nATOM   1080  C   ASN A 132      25.009 -20.676   6.989  1.00 10.31           C  \\nATOM   1081  O   ASN A 132      26.130 -20.183   6.752  1.00 11.19           O  \\nATOM   1082  CB  ASN A 132      24.859 -22.983   8.098  1.00 10.23           C  \\nATOM   1083  CG  ASN A 132      26.243 -23.402   7.634  1.00  9.00           C  \\nATOM   1084  OD1 ASN A 132      26.518 -23.466   6.454  1.00 10.71           O  \\nATOM   1085  ND2 ASN A 132      27.157 -23.579   8.585  1.00 12.84           N  \\nATOM   1086  N   LEU A 133      23.994 -20.536   6.159  1.00 10.56           N  \\nATOM   1087  CA  LEU A 133      24.183 -19.848   4.879  1.00 10.42           C  \\nATOM   1088  C   LEU A 133      24.692 -18.414   5.076  1.00 11.53           C  \\nATOM   1089  O   LEU A 133      25.361 -17.880   4.204  1.00  9.09           O  \\nATOM   1090  CB  LEU A 133      22.847 -19.880   4.082  1.00 12.47           C  \\nATOM   1091  CG  LEU A 133      22.511 -21.243   3.411  1.00 11.75           C  \\nATOM   1092  CD1 LEU A 133      21.076 -21.166   2.998  1.00 14.40           C  \\nATOM   1093  CD2 LEU A 133      23.509 -21.430   2.218  1.00 10.18           C  \\nATOM   1094  N   ALA A 134      24.244 -17.761   6.164  1.00  9.86           N  \\nATOM   1095  CA  ALA A 134      24.515 -16.342   6.376  1.00 11.13           C  \\nATOM   1096  C   ALA A 134      25.937 -16.135   6.860  1.00 10.53           C  \\nATOM   1097  O   ALA A 134      26.468 -15.019   6.763  1.00 13.61           O  \\nATOM   1098  CB  ALA A 134      23.540 -15.727   7.359  1.00  6.79           C  \\nATOM   1099  N   LYS A 135      26.521 -17.176   7.420  1.00 10.88           N  \\nATOM   1100  CA  LYS A 135      27.938 -17.210   7.824  1.00 12.29           C  \\nATOM   1101  C   LYS A 135      28.867 -17.317   6.622  1.00 10.63           C  \\nATOM   1102  O   LYS A 135      29.602 -18.282   6.499  1.00 11.00           O  \\nATOM   1103  CB  LYS A 135      28.212 -18.324   8.874  1.00 10.79           C  \\nATOM   1104  CG  LYS A 135      27.435 -18.174  10.139  1.00 12.16           C  \\nATOM   1105  CD  LYS A 135      27.536 -19.419  11.051  1.00 14.53           C  \\nATOM   1106  CE  LYS A 135      27.007 -19.193  12.427  0.50 14.32           C  \\nATOM   1107  NZ  LYS A 135      26.869 -20.512  13.183  0.50  7.91           N  \\nATOM   1108  N   SER A 136      28.856 -16.325   5.707  1.00  9.25           N  \\nATOM   1109  CA  SER A 136      29.565 -16.487   4.458  1.00  7.74           C  \\nATOM   1110  C   SER A 136      29.969 -15.082   3.896  1.00  8.32           C  \\nATOM   1111  O   SER A 136      29.318 -14.072   4.224  1.00  5.92           O  \\nATOM   1112  CB  SER A 136      28.638 -17.216   3.471  1.00  6.70           C  \\nATOM   1113  OG  SER A 136      27.458 -16.399   3.154  1.00  7.37           O  \\nATOM   1114  N   ARG A 137      31.044 -15.062   3.103  1.00  9.64           N  \\nATOM   1115  CA  ARG A 137      31.454 -13.895   2.335  1.00  9.18           C  \\nATOM   1116  C   ARG A 137      30.303 -13.518   1.444  1.00  9.66           C  \\nATOM   1117  O   ARG A 137      29.933 -12.374   1.386  1.00 10.57           O  \\nATOM   1118  CB  ARG A 137      32.711 -14.249   1.451  1.00  9.58           C  \\nATOM   1119  CG  ARG A 137      32.909 -13.118   0.439  1.00 13.45           C  \\nATOM   1120  CD  ARG A 137      34.044 -13.289  -0.494  1.00 19.25           C  \\nATOM   1121  NE  ARG A 137      34.397 -11.993  -1.080  1.00 21.02           N  \\nATOM   1122  CZ  ARG A 137      33.786 -11.405  -2.111  1.00 22.67           C  \\nATOM   1123  NH1 ARG A 137      32.706 -11.928  -2.706  1.00 20.47           N  \\nATOM   1124  NH2 ARG A 137      34.260 -10.228  -2.523  1.00 19.29           N  \\nATOM   1125  N   TRP A 138      29.623 -14.521   0.885  1.00 11.03           N  \\nATOM   1126  CA  TRP A 138      28.437 -14.316   0.098  1.00 11.24           C  \\nATOM   1127  C   TRP A 138      27.454 -13.347   0.764  1.00 11.55           C  \\nATOM   1128  O   TRP A 138      27.027 -12.314   0.188  1.00  9.89           O  \\nATOM   1129  CB  TRP A 138      27.744 -15.665  -0.146  1.00 10.91           C  \\nATOM   1130  CG  TRP A 138      26.395 -15.538  -0.873  1.00 12.27           C  \\nATOM   1131  CD1 TRP A 138      26.133 -14.884  -2.074  1.00 12.34           C  \\nATOM   1132  CD2 TRP A 138      25.152 -16.132  -0.462  1.00 12.34           C  \\nATOM   1133  NE1 TRP A 138      24.792 -15.025  -2.412  1.00 13.37           N  \\nATOM   1134  CE2 TRP A 138      24.172 -15.788  -1.447  1.00 11.66           C  \\nATOM   1135  CE3 TRP A 138      24.760 -16.870   0.682  1.00 12.11           C  \\nATOM   1136  CZ2 TRP A 138      22.839 -16.176  -1.361  1.00  8.21           C  \\nATOM   1137  CZ3 TRP A 138      23.431 -17.296   0.779  1.00 10.35           C  \\nATOM   1138  CH2 TRP A 138      22.456 -16.924  -0.247  1.00 14.47           C  \\nATOM   1139  N   TYR A 139      27.012 -13.737   1.949  1.00 11.34           N  \\nATOM   1140  CA  TYR A 139      26.026 -12.943   2.704  1.00 11.23           C  \\nATOM   1141  C   TYR A 139      26.575 -11.534   3.036  1.00  9.47           C  \\nATOM   1142  O   TYR A 139      25.897 -10.529   2.916  1.00 10.38           O  \\nATOM   1143  CB  TYR A 139      25.734 -13.665   4.018  1.00 12.01           C  \\nATOM   1144  CG  TYR A 139      24.693 -12.895   4.795  1.00 12.94           C  \\nATOM   1145  CD1 TYR A 139      23.352 -13.084   4.521  1.00 12.59           C  \\nATOM   1146  CD2 TYR A 139      25.067 -11.908   5.717  1.00 19.30           C  \\nATOM   1147  CE1 TYR A 139      22.350 -12.339   5.171  1.00 16.64           C  \\nATOM   1148  CE2 TYR A 139      24.090 -11.131   6.385  1.00 21.33           C  \\nATOM   1149  CZ  TYR A 139      22.735 -11.330   6.092  1.00 22.30           C  \\nATOM   1150  OH  TYR A 139      21.753 -10.556   6.754  1.00 24.45           O  \\nATOM   1151  N   ASN A 140      27.821 -11.472   3.470  1.00 10.13           N  \\nATOM   1152  CA  ASN A 140      28.380 -10.204   3.913  1.00  9.96           C  \\nATOM   1153  C   ASN A 140      28.594  -9.261   2.758  1.00  9.63           C  \\nATOM   1154  O   ASN A 140      28.414  -8.085   2.964  1.00 11.53           O  \\nATOM   1155  CB  ASN A 140      29.645 -10.332   4.669  1.00 11.45           C  \\nATOM   1156  CG  ASN A 140      29.432 -10.943   5.998  1.00 16.67           C  \\nATOM   1157  OD1 ASN A 140      29.744 -12.139   6.227  1.00 16.40           O  \\nATOM   1158  ND2 ASN A 140      28.909 -10.137   6.916  1.00 18.71           N  \\nATOM   1159  N   GLN A 141      28.875  -9.770   1.578  1.00  8.18           N  \\nATOM   1160  CA  GLN A 141      29.117  -8.909   0.408  1.00  9.37           C  \\nATOM   1161  C   GLN A 141      27.830  -8.437  -0.224  1.00  9.01           C  \\nATOM   1162  O   GLN A 141      27.732  -7.271  -0.722  1.00 10.59           O  \\nATOM   1163  CB  GLN A 141      30.005  -9.606  -0.625  1.00  9.35           C  \\nATOM   1164  CG  GLN A 141      31.492  -9.894  -0.173  1.00 13.96           C  \\nATOM   1165  CD  GLN A 141      32.188  -8.695   0.540  1.00 14.24           C  \\nATOM   1166  OE1 GLN A 141      32.719  -8.840   1.666  1.00 12.50           O  \\nATOM   1167  NE2 GLN A 141      32.211  -7.514  -0.159  1.00 14.10           N  \\nATOM   1168  N   THR A 142      26.849  -9.334  -0.296  1.00  7.29           N  \\nATOM   1169  CA  THR A 142      25.546  -8.991  -0.865  1.00  8.08           C  \\nATOM   1170  C   THR A 142      24.452  -9.380   0.129  1.00  8.74           C  \\nATOM   1171  O   THR A 142      23.703 -10.369  -0.122  1.00  8.55           O  \\nATOM   1172  CB  THR A 142      25.294  -9.708  -2.292  1.00  8.81           C  \\nATOM   1173  OG1 THR A 142      25.507 -11.144  -2.185  1.00 10.19           O  \\nATOM   1174  CG2 THR A 142      26.232  -9.107  -3.351  1.00  8.35           C  \\nATOM   1175  N   PRO A 143      24.377  -8.678   1.270  1.00 10.31           N  \\nATOM   1176  CA  PRO A 143      23.436  -9.139   2.315  1.00 10.69           C  \\nATOM   1177  C   PRO A 143      21.985  -9.007   1.926  1.00 11.77           C  \\nATOM   1178  O   PRO A 143      21.181  -9.846   2.330  1.00 13.01           O  \\nATOM   1179  CB  PRO A 143      23.788  -8.212   3.547  1.00 10.60           C  \\nATOM   1180  CG  PRO A 143      24.424  -7.016   2.957  1.00 12.90           C  \\nATOM   1181  CD  PRO A 143      25.164  -7.483   1.737  1.00  8.51           C  \\nATOM   1182  N   ASP A 144      21.612  -7.977   1.170  1.00  9.27           N  \\nATOM   1183  CA  ASP A 144      20.178  -7.796   0.924  1.00 10.93           C  \\nATOM   1184  C   ASP A 144      19.654  -8.950   0.028  1.00 10.02           C  \\nATOM   1185  O   ASP A 144      18.618  -9.573   0.307  1.00  6.13           O  \\nATOM   1186  CB  ASP A 144      19.906  -6.399   0.349  1.00 10.61           C  \\nATOM   1187  CG  ASP A 144      20.068  -5.269   1.463  1.00 12.99           C  \\nATOM   1188  OD1 ASP A 144      20.160  -5.566   2.651  1.00 19.65           O  \\nATOM   1189  OD2 ASP A 144      20.125  -4.131   1.116  1.00 20.27           O  \\nATOM   1190  N   ARG A 145      20.455  -9.241  -0.987  1.00  8.94           N  \\nATOM   1191  CA  ARG A 145      20.138 -10.336  -1.897  1.00 10.43           C  \\nATOM   1192  C   ARG A 145      20.211 -11.686  -1.194  1.00  9.22           C  \\nATOM   1193  O   ARG A 145      19.344 -12.520  -1.358  1.00  9.97           O  \\nATOM   1194  CB  ARG A 145      21.075 -10.344  -3.101  1.00 11.14           C  \\nATOM   1195  CG  ARG A 145      20.485 -11.315  -4.193  1.00 11.36           C  \\nATOM   1196  CD  ARG A 145      21.577 -11.846  -4.946  1.00 16.41           C  \\nATOM   1197  NE  ARG A 145      21.239 -12.817  -5.951  1.00 13.85           N  \\nATOM   1198  CZ  ARG A 145      21.814 -12.769  -7.147  1.00 14.83           C  \\nATOM   1199  NH1 ARG A 145      22.651 -11.764  -7.404  1.00 12.25           N  \\nATOM   1200  NH2 ARG A 145      21.533 -13.680  -8.075  1.00 10.86           N  \\nATOM   1201  N   ALA A 146      21.291 -11.919  -0.470  1.00 10.54           N  \\nATOM   1202  CA  ALA A 146      21.522 -13.175   0.219  1.00  8.75           C  \\nATOM   1203  C   ALA A 146      20.360 -13.395   1.244  1.00  9.60           C  \\nATOM   1204  O   ALA A 146      19.936 -14.521   1.446  1.00  9.60           O  \\nATOM   1205  CB  ALA A 146      22.907 -13.178   0.919  1.00 10.90           C  \\nATOM   1206  N   LYS A 147      19.917 -12.329   1.930  1.00  9.35           N  \\nATOM   1207  CA ALYS A 147      18.779 -12.380   2.883  0.50  9.70           C  \\nATOM   1208  CA BLYS A 147      18.806 -12.458   2.883  0.50  9.35           C  \\nATOM   1209  C   LYS A 147      17.519 -12.911   2.181  1.00  9.60           C  \\nATOM   1210  O   LYS A 147      16.809 -13.793   2.698  1.00  9.12           O  \\nATOM   1211  CB ALYS A 147      18.498 -10.981   3.453  0.50 10.21           C  \\nATOM   1212  CB BLYS A 147      18.603 -11.141   3.600  0.50  9.10           C  \\nATOM   1213  CG ALYS A 147      19.370 -10.521   4.638  0.50 11.22           C  \\nATOM   1214  CG BLYS A 147      17.454 -11.101   4.574  0.50  6.22           C  \\nATOM   1215  CD ALYS A 147      19.328  -8.952   4.874  0.50  8.64           C  \\nATOM   1216  CD BLYS A 147      17.268  -9.648   5.044  0.50  7.29           C  \\nATOM   1217  CE ALYS A 147      20.131  -8.574   6.141  0.50 13.87           C  \\nATOM   1218  CE BLYS A 147      18.370  -9.164   5.948  0.50  8.48           C  \\nATOM   1219  NZ ALYS A 147      19.929  -7.106   6.677  0.50 15.97           N  \\nATOM   1220  NZ BLYS A 147      17.931  -7.858   6.603  0.50 16.66           N  \\nATOM   1221  N   ARG A 148      17.234 -12.360   0.991  1.00  8.37           N  \\nATOM   1222  CA  ARG A 148      16.067 -12.838   0.171  1.00  8.61           C  \\nATOM   1223  C   ARG A 148      16.233 -14.314  -0.189  1.00  8.22           C  \\nATOM   1224  O   ARG A 148      15.310 -15.053  -0.090  1.00  7.25           O  \\nATOM   1225  CB  ARG A 148      15.944 -12.055  -1.149  1.00  9.76           C  \\nATOM   1226  CG  ARG A 148      15.473 -10.615  -0.941  1.00  9.47           C  \\nATOM   1227  CD  ARG A 148      14.955 -10.035  -2.231  1.00 11.55           C  \\nATOM   1228  NE  ARG A 148      16.083  -9.749  -3.139  1.00  9.12           N  \\nATOM   1229  CZ  ARG A 148      16.892  -8.676  -3.062  1.00 12.62           C  \\nATOM   1230  NH1 ARG A 148      16.699  -7.768  -2.117  1.00 11.46           N  \\nATOM   1231  NH2 ARG A 148      17.889  -8.526  -3.954  1.00  7.84           N  \\nATOM   1232  N   VAL A 149      17.429 -14.750  -0.595  1.00  9.31           N  \\nATOM   1233  CA  VAL A 149      17.599 -16.132  -1.123  1.00  7.43           C  \\nATOM   1234  C   VAL A 149      17.571 -17.102   0.084  1.00  9.63           C  \\nATOM   1235  O   VAL A 149      16.940 -18.198   0.029  1.00 10.27           O  \\nATOM   1236  CB  VAL A 149      18.979 -16.230  -1.786  1.00  8.60           C  \\nATOM   1237  CG1 VAL A 149      19.371 -17.719  -2.042  1.00  8.06           C  \\nATOM   1238  CG2 VAL A 149      18.972 -15.349  -3.090  1.00  7.73           C  \\nATOM   1239  N   ILE A 150      18.222 -16.666   1.177  1.00  9.83           N  \\nATOM   1240  CA  ILE A 150      18.142 -17.430   2.438  1.00 11.08           C  \\nATOM   1241  C   ILE A 150      16.717 -17.579   2.946  1.00 11.53           C  \\nATOM   1242  O   ILE A 150      16.341 -18.670   3.374  1.00 11.02           O  \\nATOM   1243  CB  ILE A 150      19.001 -16.834   3.572  1.00  9.45           C  \\nATOM   1244  CG1 ILE A 150      20.472 -17.088   3.243  1.00  9.95           C  \\nATOM   1245  CG2 ILE A 150      18.662 -17.599   4.911  1.00  7.97           C  \\nATOM   1246  CD1 ILE A 150      21.574 -16.163   4.027  1.00 11.27           C  \\nATOM   1247  N   THR A 151      15.922 -16.493   2.904  1.00 11.17           N  \\nATOM   1248  CA  THR A 151      14.541 -16.602   3.335  1.00 12.11           C  \\nATOM   1249  C   THR A 151      13.775 -17.631   2.473  1.00 12.25           C  \\nATOM   1250  O   THR A 151      12.927 -18.371   3.012  1.00 12.54           O  \\nATOM   1251  CB  THR A 151      13.820 -15.220   3.345  1.00 10.72           C  \\nATOM   1252  OG1 THR A 151      14.267 -14.471   4.478  1.00 13.62           O  \\nATOM   1253  CG2 THR A 151      12.318 -15.372   3.444  1.00 12.40           C  \\nATOM   1254  N   THR A 152      14.103 -17.685   1.177  1.00 11.02           N  \\nATOM   1255  CA  THR A 152      13.506 -18.620   0.217  1.00 11.59           C  \\nATOM   1256  C   THR A 152      13.851 -20.065   0.626  1.00 11.09           C  \\nATOM   1257  O   THR A 152      12.947 -20.915   0.681  1.00 11.15           O  \\nATOM   1258  CB  THR A 152      13.853 -18.286  -1.255  1.00  9.65           C  \\nATOM   1259  OG1 THR A 152      13.605 -16.884  -1.448  1.00 14.45           O  \\nATOM   1260  CG2 THR A 152      12.966 -19.074  -2.258  1.00 12.97           C  \\nATOM   1261  N   PHE A 153      15.141 -20.340   0.843  1.00 11.82           N  \\nATOM   1262  CA  PHE A 153      15.577 -21.606   1.457  1.00 11.41           C  \\nATOM   1263  C   PHE A 153      14.940 -21.933   2.811  1.00 12.38           C  \\nATOM   1264  O   PHE A 153      14.699 -23.136   3.120  1.00 15.74           O  \\nATOM   1265  CB  PHE A 153      17.093 -21.612   1.686  1.00  9.49           C  \\nATOM   1266  CG  PHE A 153      17.896 -21.945   0.481  1.00 10.80           C  \\nATOM   1267  CD1 PHE A 153      18.895 -21.077   0.047  1.00 10.33           C  \\nATOM   1268  CD2 PHE A 153      17.724 -23.180  -0.204  1.00 12.15           C  \\nATOM   1269  CE1 PHE A 153      19.701 -21.401  -1.129  1.00 12.42           C  \\nATOM   1270  CE2 PHE A 153      18.488 -23.533  -1.280  1.00 10.32           C  \\nATOM   1271  CZ  PHE A 153      19.528 -22.634  -1.772  1.00 11.42           C  \\nATOM   1272  N   ARG A 154      14.761 -20.930   3.673  1.00 12.17           N  \\nATOM   1273  CA AARG A 154      14.271 -21.230   5.013  0.50 12.64           C  \\nATOM   1274  CA BARG A 154      14.265 -21.155   5.019  0.50 12.11           C  \\nATOM   1275  C   ARG A 154      12.793 -21.588   4.990  1.00 11.62           C  \\nATOM   1276  O   ARG A 154      12.371 -22.461   5.725  1.00 11.54           O  \\nATOM   1277  CB AARG A 154      14.542 -20.110   6.040  0.50 12.03           C  \\nATOM   1278  CB BARG A 154      14.448 -19.882   5.864  0.50 11.14           C  \\nATOM   1279  CG AARG A 154      14.117 -20.513   7.498  0.50 12.79           C  \\nATOM   1280  CG BARG A 154      14.519 -20.121   7.388  0.50 12.64           C  \\nATOM   1281  CD AARG A 154      14.231 -19.378   8.534  0.50 13.25           C  \\nATOM   1282  CD BARG A 154      14.774 -18.832   8.189  0.50 10.89           C  \\nATOM   1283  NE AARG A 154      13.509 -18.163   8.171  0.50 14.10           N  \\nATOM   1284  NE BARG A 154      13.826 -17.758   7.886  0.50 13.71           N  \\nATOM   1285  CZ AARG A 154      12.194 -17.951   8.305  0.50 14.90           C  \\nATOM   1286  CZ BARG A 154      14.100 -16.680   7.145  0.50 13.45           C  \\nATOM   1287  NH1AARG A 154      11.388 -18.878   8.810  0.50 15.25           N  \\nATOM   1288  NH1BARG A 154      15.317 -16.513   6.641  0.50 14.29           N  \\nATOM   1289  NH2AARG A 154      11.679 -16.787   7.913  0.50 13.29           N  \\nATOM   1290  NH2BARG A 154      13.152 -15.754   6.927  0.50 14.08           N  \\nATOM   1291  N   THR A 155      12.024 -20.943   4.130  1.00 13.12           N  \\nATOM   1292  CA  THR A 155      10.549 -21.026   4.177  1.00 13.94           C  \\nATOM   1293  C   THR A 155       9.908 -21.788   3.051  1.00 14.32           C  \\nATOM   1294  O   THR A 155       8.759 -22.167   3.193  1.00 14.45           O  \\nATOM   1295  CB  THR A 155       9.926 -19.631   4.155  1.00 13.49           C  \\nATOM   1296  OG1 THR A 155      10.251 -19.012   2.897  1.00 15.46           O  \\nATOM   1297  CG2 THR A 155      10.442 -18.703   5.338  1.00 13.53           C  \\nATOM   1298  N   GLY A 156      10.633 -21.942   1.928  1.00 13.63           N  \\nATOM   1299  CA  GLY A 156      10.174 -22.488   0.706  1.00 11.64           C  \\nATOM   1300  C   GLY A 156       8.986 -21.701   0.179  1.00 11.69           C  \\nATOM   1301  O   GLY A 156       8.126 -22.272  -0.423  1.00 12.57           O  \\nATOM   1302  N   THR A 157       8.932 -20.389   0.508  1.00 10.85           N  \\nATOM   1303  CA  THR A 157       7.887 -19.474   0.069  1.00 11.02           C  \\nATOM   1304  C   THR A 157       8.547 -18.365  -0.713  1.00 10.31           C  \\nATOM   1305  O   THR A 157       9.768 -18.252  -0.731  1.00 10.58           O  \\nATOM   1306  CB  THR A 157       7.146 -18.727   1.212  1.00 11.05           C  \\nATOM   1307  OG1 THR A 157       8.033 -17.802   1.905  1.00 15.11           O  \\nATOM   1308  CG2 THR A 157       6.431 -19.683   2.169  1.00 11.04           C  \\nATOM   1309  N   TRP A 158       7.732 -17.524  -1.327  1.00 10.88           N  \\nATOM   1310  CA  TRP A 158       8.245 -16.440  -2.129  1.00 11.92           C  \\nATOM   1311  C   TRP A 158       8.123 -15.117  -1.329  1.00 11.55           C  \\nATOM   1312  O   TRP A 158       8.063 -14.022  -1.898  1.00 13.28           O  \\nATOM   1313  CB  TRP A 158       7.465 -16.359  -3.418  1.00 11.93           C  \\nATOM   1314  CG  TRP A 158       7.822 -17.470  -4.450  1.00 12.74           C  \\nATOM   1315  CD1 TRP A 158       6.994 -18.416  -4.898  1.00 13.77           C  \\nATOM   1316  CD2 TRP A 158       9.073 -17.655  -5.122  1.00 15.01           C  \\nATOM   1317  NE1 TRP A 158       7.622 -19.198  -5.820  1.00 14.08           N  \\nATOM   1318  CE2 TRP A 158       8.911 -18.751  -5.989  1.00 11.00           C  \\nATOM   1319  CE3 TRP A 158      10.330 -16.968  -5.102  1.00  8.15           C  \\nATOM   1320  CZ2 TRP A 158       9.950 -19.223  -6.823  1.00  9.81           C  \\nATOM   1321  CZ3 TRP A 158      11.341 -17.430  -5.941  1.00 10.77           C  \\nATOM   1322  CH2 TRP A 158      11.147 -18.560  -6.783  1.00 12.63           C  \\nATOM   1323  N   ASP A 159       8.038 -15.239  -0.012  1.00 11.99           N  \\nATOM   1324  CA  ASP A 159       7.758 -14.091   0.811  1.00 13.38           C  \\nATOM   1325  C   ASP A 159       8.791 -12.976   0.590  1.00 13.72           C  \\nATOM   1326  O   ASP A 159       8.420 -11.809   0.534  1.00 12.07           O  \\nATOM   1327  CB  ASP A 159       7.776 -14.531   2.270  1.00 14.76           C  \\nATOM   1328  CG  ASP A 159       6.512 -15.215   2.649  1.00 17.82           C  \\nATOM   1329  OD1 ASP A 159       5.653 -15.352   1.752  1.00 17.18           O  \\nATOM   1330  OD2 ASP A 159       6.407 -15.595   3.819  1.00 25.15           O  \\nATOM   1331  N   ALA A 160      10.058 -13.327   0.343  1.00 11.99           N  \\nATOM   1332  CA  ALA A 160      11.091 -12.278   0.261  1.00 11.80           C  \\nATOM   1333  C   ALA A 160      11.050 -11.555  -1.056  1.00 12.16           C  \\nATOM   1334  O   ALA A 160      11.750 -10.588  -1.236  1.00 11.65           O  \\nATOM   1335  CB  ALA A 160      12.506 -12.910   0.484  1.00 10.51           C  \\nATOM   1336  N   TYR A 161      10.216 -12.014  -2.004  1.00 14.08           N  \\nATOM   1337  CA  TYR A 161      10.175 -11.432  -3.346  1.00 14.80           C  \\nATOM   1338  C   TYR A 161       8.774 -10.867  -3.685  1.00 18.27           C  \\nATOM   1339  O   TYR A 161       8.596 -10.195  -4.714  1.00 18.91           O  \\nATOM   1340  CB  TYR A 161      10.570 -12.489  -4.414  1.00 14.76           C  \\nATOM   1341  CG  TYR A 161      12.018 -12.852  -4.385  1.00 12.49           C  \\nATOM   1342  CD1 TYR A 161      12.490 -13.904  -3.579  1.00 11.83           C  \\nATOM   1343  CD2 TYR A 161      12.928 -12.124  -5.112  1.00 10.82           C  \\nATOM   1344  CE1 TYR A 161      13.846 -14.213  -3.515  1.00 10.92           C  \\nATOM   1345  CE2 TYR A 161      14.310 -12.395  -5.068  1.00  8.48           C  \\nATOM   1346  CZ  TYR A 161      14.754 -13.457  -4.262  1.00 12.20           C  \\nATOM   1347  OH  TYR A 161      16.096 -13.759  -4.188  1.00 12.18           O  \\nATOM   1348  N   LYS A 162       7.786 -11.082  -2.826  0.50 18.90           N  \\nATOM   1349  CA  LYS A 162       6.443 -11.100  -3.371  0.50 19.75           C  \\nATOM   1350  C   LYS A 162       5.807  -9.773  -3.856  0.50 20.49           C  \\nATOM   1351  O   LYS A 162       5.003  -9.833  -4.775  0.50 20.39           O  \\nATOM   1352  CB  LYS A 162       5.494 -12.080  -2.646  0.50 19.69           C  \\nATOM   1353  CG  LYS A 162       5.382 -11.924  -1.136  0.50 20.78           C  \\nATOM   1354  CD  LYS A 162       4.505 -13.051  -0.566  0.50 19.81           C  \\nATOM   1355  CE  LYS A 162       3.705 -12.529   0.595  0.50 18.08           C  \\nATOM   1356  NZ  LYS A 162       2.689 -13.534   1.027  0.50 21.58           N  \\nATOM   1357  N   ASN A 163       6.166  -8.586  -3.355  0.50 21.64           N  \\nATOM   1358  CA  ASN A 163       6.996  -8.322  -2.203  0.50 23.15           C  \\nATOM   1359  C   ASN A 163       6.211  -7.397  -1.262  0.50 24.32           C  \\nATOM   1360  O   ASN A 163       6.241  -6.164  -1.395  0.50 24.66           O  \\nATOM   1361  CB  ASN A 163       8.345  -7.659  -2.590  0.50 24.09           C  \\nATOM   1362  CG  ASN A 163       8.264  -6.773  -3.876  0.50 24.52           C  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       "        <p id=\"3dmolwarning_17198354767055447\" style=\"background-color:#ffcccc;color:black\">You appear to be running in JupyterLab (or JavaScript failed to load for some other reason).  You need to install the 3dmol extension: <br>\n",
       "        <tt>jupyter labextension install jupyterlab_3dmol</tt></p>\n",
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-12.536  -8.057  0.50 10.74           C  \\nATOM     13  CE BMET A   1      10.121 -14.299  -7.810  0.50 22.50           C  \\nATOM     14  N   ASN A   2       8.696 -17.109 -10.221  1.00 13.04           N  \\nATOM     15  CA  ASN A   2       9.444 -18.214 -10.830  1.00 11.28           C  \\nATOM     16  C   ASN A   2      10.923 -17.749 -10.851  1.00 11.13           C  \\nATOM     17  O   ASN A   2      11.262 -16.586 -10.453  1.00  8.10           O  \\nATOM     18  CB  ASN A   2       8.903 -18.572 -12.242  1.00 11.33           C  \\nATOM     19  CG  ASN A   2       8.979 -17.384 -13.226  1.00 13.64           C  \\nATOM     20  OD1 ASN A   2      10.036 -16.854 -13.455  1.00  9.75           O  \\nATOM     21  ND2 ASN A   2       7.826 -16.975 -13.804  1.00 12.13           N  \\nATOM     22  N   ILE A   3      11.803 -18.653 -11.255  1.00  9.44           N  \\nATOM     23  CA  ILE A   3      13.215 -18.370 -11.247  1.00  9.32           C  \\nATOM     24  C   ILE A   3      13.649 -17.195 -12.132  1.00  7.70           C  \\nATOM     25  O   ILE A   3      14.597 -16.489 -11.782  1.00  9.80           O  \\nATOM     26  CB  ILE A   3      14.010 -19.669 -11.653  1.00  9.07           C  \\nATOM     27  CG1 ILE A   3      15.522 -19.542 -11.375  1.00  8.89           C  \\nATOM     28  CG2 ILE A   3      13.701 -20.044 -13.127  1.00  9.00           C  \\nATOM     29  CD1 ILE A   3      16.021 -18.938 -10.040  1.00 10.83           C  \\nATOM     30  N   PHE A   4      12.976 -16.982 -13.265  1.00  8.60           N  \\nATOM     31  CA  PHE A   4      13.313 -15.827 -14.061  1.00  8.69           C  \\nATOM     32  C   PHE A   4      12.939 -14.559 -13.370  1.00  9.89           C  \\nATOM     33  O   PHE A   4      13.695 -13.598 -13.393  1.00  9.06           O  \\nATOM     34  CB  PHE A   4      12.680 -15.895 -15.481  1.00  8.95           C  \\nATOM     35  CG  PHE A   4      13.207 -17.104 -16.277  1.00 11.87           C  \\nATOM     36  CD1 PHE A   4      12.684 -18.381 -16.087  1.00 12.45           C  \\nATOM     37  CD2 PHE A   4      14.252 -16.959 -17.165  1.00 10.91           C  \\nATOM     38  CE1 PHE A   4      13.203 -19.507 -16.757  1.00 10.97           C  \\nATOM     39  CE2 PHE A   4      14.737 -18.073 -17.875  1.00 13.68           C  \\nATOM     40  CZ  PHE A   4      14.194 -19.334 -17.662  1.00 13.03           C  \\nATOM     41  N   GLU A   5      11.735 -14.528 -12.804  1.00  9.90           N  \\nATOM     42  CA  GLU A   5      11.306 -13.288 -12.184  1.00 10.93           C  \\nATOM     43  C   GLU A   5      12.211 -12.996 -10.954  1.00  9.58           C  \\nATOM     44  O   GLU A   5      12.515 -11.866 -10.632  1.00  9.92           O  \\nATOM     45  CB  GLU A   5       9.901 -13.444 -11.758  1.00  9.58           C  \\nATOM     46  CG  GLU A   5       8.948 -13.592 -12.964  1.00 15.91           C  \\nATOM     47  CD  GLU A   5       7.492 -13.611 -12.523  1.00 20.54           C  \\nATOM     48  OE1 GLU A   5       7.233 -13.319 -11.345  1.00 25.87           O  \\nATOM     49  OE2 GLU A   5       6.590 -13.885 -13.346  1.00 24.46           O  \\nATOM     50  N   MET A   6      12.558 -14.075 -10.256  1.00 10.80           N  \\nATOM     51  CA  MET A   6      13.414 -13.998  -9.100  1.00 11.41           C  \\nATOM     52  C   MET A   6      14.747 -13.416  -9.466  1.00  9.30           C  \\nATOM     53  O   MET A   6      15.191 -12.450  -8.826  1.00 12.93           O  \\nATOM     54  CB  MET A   6      13.592 -15.388  -8.488  1.00 10.41           C  \\nATOM     55  CG  MET A   6      14.245 -15.365  -7.093  1.00 12.68           C  \\nATOM     56  SD  MET A   6      14.896 -16.987  -6.864  1.00 11.50           S  \\nATOM     57  CE  MET A   6      15.143 -17.019  -5.053  1.00 14.29           C  \\nATOM     58  N   LEU A   7      15.419 -14.013 -10.450  1.00  9.60           N  \\nATOM     59  CA  LEU A   7      16.760 -13.572 -10.840  1.00  9.70           C  \\nATOM     60  C   LEU A   7      16.725 -12.198 -11.446  1.00 10.08           C  \\nATOM     61  O   LEU A   7      17.663 -11.405 -11.248  1.00 10.17           O  \\nATOM     62  CB  LEU A   7      17.456 -14.566 -11.767  1.00  9.47           C  \\nATOM     63  CG  LEU A   7      18.050 -15.641 -10.882  1.00  9.83           C  \\nATOM     64  CD1 LEU A   7      18.407 -16.854 -11.660  1.00 11.30           C  \\nATOM     65  CD2 LEU A   7      19.263 -15.036 -10.178  1.00  7.37           C  \\nATOM     66  N   ARG A   8      15.623 -11.872 -12.125  1.00 10.56           N  \\nATOM     67  CA  ARG A   8      15.486 -10.533 -12.730  1.00 10.46           C  \\nATOM     68  C   ARG A   8      15.430  -9.437 -11.619  1.00 11.05           C  \\nATOM     69  O   ARG A   8      15.999  -8.357 -11.787  1.00 11.99           O  \\nATOM     70  CB  ARG A   8      14.207 -10.427 -13.573  1.00  9.24           C  \\nATOM     71  CG  ARG A   8      13.842  -8.998 -13.962  1.00  8.95           C  \\nATOM     72  CD  ARG A   8      14.682  -8.440 -15.117  1.00 10.45           C  \\nATOM     73  NE  ARG A   8      14.315  -7.024 -15.407  1.00 17.11           N  \\nATOM     74  CZ  ARG A   8      14.510  -5.992 -14.572  1.00 17.32           C  \\nATOM     75  NH1 ARG A   8      15.075  -6.150 -13.368  1.00 19.70           N  \\nATOM     76  NH2 ARG A   8      14.103  -4.781 -14.898  1.00 21.76           N  \\nATOM     77  N   ILE A   9      14.727  -9.723 -10.513  1.00 10.05           N  \\nATOM     78  CA  ILE A   9      14.736  -8.832  -9.354  1.00 11.98           C  \\nATOM     79  C   ILE A   9      16.184  -8.699  -8.794  1.00 10.19           C  \\nATOM     80  O   ILE A   9      16.685  -7.599  -8.621  1.00 11.01           O  \\nATOM     81  CB  ILE A   9      13.745  -9.307  -8.310  1.00 11.81           C  \\nATOM     82  CG1 ILE A   9      12.295  -8.991  -8.792  1.00 11.16           C  \\nATOM     83  CG2 ILE A   9      14.127  -8.715  -6.901  1.00 13.13           C  \\nATOM     84  CD1 ILE A   9      11.180  -9.833  -8.105  1.00 11.02           C  \\nATOM     85  N   ASP A  10      16.875  -9.822  -8.643  1.00  9.37           N  \\nATOM     86  CA  ASP A  10      18.185  -9.878  -7.994  1.00 10.57           C  \\nATOM     87  C   ASP A  10      19.311  -9.308  -8.857  1.00 10.86           C  \\nATOM     88  O   ASP A  10      20.255  -8.693  -8.331  1.00 10.88           O  \\nATOM     89  CB  ASP A  10      18.506 -11.300  -7.545  1.00  8.71           C  \\nATOM     90  CG  ASP A  10      17.731 -11.697  -6.281  1.00 10.36           C  \\nATOM     91  OD1 ASP A  10      17.176 -10.813  -5.602  1.00 12.18           O  \\nATOM     92  OD2 ASP A  10      17.610 -12.911  -5.989  1.00 15.40           O  \\nATOM     93  N   GLU A  11      19.154  -9.412 -10.175  1.00 10.35           N  \\nATOM     94  CA  GLU A  11      20.297  -9.178 -11.071  1.00  9.98           C  \\nATOM     95  C   GLU A  11      20.085  -7.849 -11.752  1.00 11.17           C  \\nATOM     96  O   GLU A  11      21.027  -7.244 -12.149  1.00 10.89           O  \\nATOM     97  CB  GLU A  11      20.423 -10.284 -12.090  1.00 11.45           C  \\nATOM     98  CG  GLU A  11      20.983 -11.570 -11.540  1.00  8.72           C  \\nATOM     99  CD  GLU A  11      22.331 -11.403 -10.856  1.00 14.34           C  \\nATOM    100  OE1 GLU A  11      22.997 -10.296 -10.924  1.00 19.80           O  \\nATOM    101  OE2 GLU A  11      22.765 -12.362 -10.191  1.00 13.76           O  \\nATOM    102  N   GLY A  12      18.835  -7.395 -11.858  1.00  9.73           N  \\nATOM    103  CA  GLY A  12      18.503  -6.196 -12.686  1.00 10.14           C  \\nATOM    104  C   GLY A  12      18.558  -6.457 -14.191  1.00  9.64           C  \\nATOM    105  O   GLY A  12      18.692  -7.612 -14.632  1.00  8.39           O  \\nATOM    106  N   LEU A  13      18.315  -5.384 -14.951  1.00 10.95           N  \\nATOM    107  CA  LEU A  13      18.476  -5.410 -16.395  1.00 10.93           C  \\nATOM    108  C   LEU A  13      19.230  -4.158 -16.821  1.00 12.47           C  \\nATOM    109  O   LEU A  13      18.764  -3.037 -16.638  1.00 10.09           O  \\nATOM    110  CB  LEU A  13      17.121  -5.551 -17.094  1.00 10.84           C  \\nATOM    111  CG  LEU A  13      17.051  -5.400 -18.622  1.00 13.98           C  \\nATOM    112  CD1 LEU A  13      17.887  -6.504 -19.296  1.00 14.85           C  \\nATOM    113  CD2 LEU A  13      15.573  -5.621 -18.963  1.00 20.16           C  \\nATOM    114  N   ARG A  14      20.427  -4.347 -17.366  1.00 13.51           N  \\nATOM    115  CA  ARG A  14      21.161  -3.231 -17.947  1.00 12.55           C  \\nATOM    116  C   ARG A  14      21.624  -3.631 -19.343  1.00 13.91           C  \\nATOM    117  O   ARG A  14      22.092  -4.770 -19.558  1.00 13.51           O  \\nATOM    118  CB  ARG A  14      22.348  -2.865 -17.057  1.00 13.69           C  \\nATOM    119  CG  ARG A  14      21.881  -2.627 -15.541  1.00 10.77           C  \\nATOM    120  CD  ARG A  14      22.950  -2.031 -14.624  1.00 14.02           C  \\nATOM    121  NE  ARG A  14      23.267  -0.711 -15.097  1.00 18.61           N  \\nATOM    122  CZ  ARG A  14      24.231   0.041 -14.576  1.00 23.42           C  \\nATOM    123  NH1 ARG A  14      24.992  -0.441 -13.583  1.00 21.81           N  \\nATOM    124  NH2 ARG A  14      24.456   1.241 -15.079  1.00 24.97           N  \\nATOM    125  N   LEU A  15      21.488  -2.704 -20.276  1.00 14.21           N  \\nATOM    126  CA  LEU A  15      21.708  -3.028 -21.647  1.00 13.95           C  \\nATOM    127  C   LEU A  15      23.062  -2.639 -22.085  1.00 15.21           C  \\nATOM    128  O   LEU A  15      23.426  -3.007 -23.183  1.00 16.83           O  \\nATOM    129  CB  LEU A  15      20.647  -2.401 -22.523  1.00 14.29           C  \\nATOM    130  CG  LEU A  15      19.175  -2.813 -22.276  1.00 14.19           C  \\nATOM    131  CD1 LEU A  15      18.319  -2.230 -23.411  1.00 16.89           C  \\nATOM    132  CD2 LEU A  15      18.984  -4.289 -22.191  1.00 16.65           C  \\nATOM    133  N   LYS A  16      23.837  -1.955 -21.239  1.00 13.81           N  \\nATOM    134  CA  LYS A  16      25.207  -1.511 -21.600  1.00 14.34           C  \\nATOM    135  C   LYS A  16      26.123  -2.220 -20.641  1.00 13.58           C  \\nATOM    136  O   LYS A  16      25.731  -2.428 -19.477  1.00 15.63           O  \\nATOM    137  CB  LYS A  16      25.445  -0.003 -21.420  1.00 13.23           C  \\nATOM    138  CG  LYS A  16      24.695   0.873 -22.429  1.00 15.23           C  \\nATOM    139  CD  LYS A  16      24.562   2.348 -21.919  1.00 18.50           C  \\nATOM    140  CE  LYS A  16      24.042   3.253 -23.023  0.50 18.65           C  \\nATOM    141  NZ  LYS A  16      23.452   4.494 -22.483  0.50 21.53           N  \\nATOM    142  N   ILE A  17      27.336  -2.553 -21.085  1.00 14.54           N  \\nATOM    143  CA  ILE A  17      28.286  -3.207 -20.207  1.00 12.07           C  \\nATOM    144  C   ILE A  17      28.445  -2.430 -18.902  1.00 12.48           C  \\nATOM    145  O   ILE A  17      28.560  -1.225 -18.904  1.00 11.54           O  \\nATOM    146  CB  ILE A  17      29.634  -3.435 -20.873  1.00 12.95           C  \\nATOM    147  CG1 ILE A  17      29.493  -4.310 -22.144  1.00  8.75           C  \\nATOM    148  CG2 ILE A  17      30.696  -3.989 -19.862  1.00 12.45           C  \\nATOM    149  CD1 ILE A  17      30.848  -4.603 -22.812  1.00 12.23           C  \\nATOM    150  N   TYR A  18      28.373  -3.145 -17.790  1.00 14.39           N  \\nATOM    151  CA  TYR A  18      28.495  -2.515 -16.435  1.00 14.47           C  \\nATOM    152  C   TYR A  18      29.363  -3.471 -15.607  1.00 11.71           C  \\nATOM    153  O   TYR A  18      29.567  -4.613 -16.003  1.00 11.89           O  \\nATOM    154  CB  TYR A  18      27.118  -2.287 -15.749  1.00 13.83           C  \\nATOM    155  CG  TYR A  18      26.357  -3.552 -15.398  1.00 16.86           C  \\nATOM    156  CD1 TYR A  18      26.399  -4.107 -14.085  1.00 18.55           C  \\nATOM    157  CD2 TYR A  18      25.550  -4.229 -16.381  1.00 17.94           C  \\nATOM    158  CE1 TYR A  18      25.696  -5.338 -13.766  1.00 17.18           C  \\nATOM    159  CE2 TYR A  18      24.833  -5.419 -16.053  1.00 14.72           C  \\nATOM    160  CZ  TYR A  18      24.891  -5.954 -14.728  1.00 19.33           C  \\nATOM    161  OH  TYR A  18      24.153  -7.143 -14.446  1.00 17.43           O  \\nATOM    162  N   LYS A  19      29.830  -2.990 -14.466  1.00 10.51           N  \\nATOM    163  CA  LYS A  19      30.548  -3.762 -13.546  1.00 11.63           C  \\nATOM    164  C   LYS A  19      29.558  -4.240 -12.469  1.00 10.87           C  \\nATOM    165  O   LYS A  19      28.710  -3.454 -11.952  1.00 10.79           O  \\nATOM    166  CB  LYS A  19      31.682  -2.988 -12.948  1.00 10.53           C  \\nATOM    167  CG  LYS A  19      32.726  -2.643 -13.946  1.00 12.17           C  \\nATOM    168  CD  LYS A  19      33.877  -2.083 -13.250  1.00 13.68           C  \\nATOM    169  CE  LYS A  19      34.967  -1.539 -14.227  1.00 14.68           C  \\nATOM    170  NZ  LYS A  19      35.970  -0.819 -13.352  1.00 14.18           N  \\nATOM    171  N   ASP A  20      29.600  -5.541 -12.238  1.00 10.28           N  \\nATOM    172  CA  ASP A  20      28.755  -6.178 -11.230  1.00 10.35           C  \\nATOM    173  C   ASP A  20      29.298  -5.856  -9.825  1.00 11.13           C  \\nATOM    174  O   ASP A  20      30.226  -5.065  -9.684  1.00 13.25           O  \\nATOM    175  CB  ASP A  20      28.668  -7.714 -11.433  1.00  9.98           C  \\nATOM    176  CG  ASP A  20      29.988  -8.465 -11.129  1.00 12.88           C  \\nATOM    177  OD1 ASP A  20      30.984  -7.917 -10.654  1.00 12.47           O  \\nATOM    178  OD2 ASP A  20      30.049  -9.702 -11.403  1.00 17.43           O  \\nATOM    179  N   THR A  21      28.720  -6.477  -8.805  1.00 11.25           N  \\nATOM    180  CA ATHR A  21      29.009  -6.152  -7.390  0.50 11.50           C  \\nATOM    181  CA BTHR A  21      29.034  -6.058  -7.448  0.50 12.55           C  \\nATOM    182  C   THR A  21      30.477  -6.421  -7.079  1.00 13.05           C  \\nATOM    183  O   THR A  21      31.021  -5.897  -6.128  1.00 13.00           O  \\nATOM    184  CB ATHR A  21      28.137  -6.999  -6.443  0.50 11.96           C  \\nATOM    185  CB BTHR A  21      28.006  -6.598  -6.483  0.50 13.53           C  \\nATOM    186  OG1ATHR A  21      28.532  -8.367  -6.545  0.50  9.71           O  \\nATOM    187  OG1BTHR A  21      28.188  -5.969  -5.222  0.50 15.74           O  \\nATOM    188  CG2ATHR A  21      26.613  -6.864  -6.788  0.50  9.51           C  \\nATOM    189  CG2BTHR A  21      28.126  -8.101  -6.356  0.50 11.11           C  \\nATOM    190  N   GLU A  22      31.092  -7.317  -7.862  1.00 13.35           N  \\nATOM    191  CA  GLU A  22      32.490  -7.662  -7.724  1.00 12.75           C  \\nATOM    192  C   GLU A  22      33.430  -6.817  -8.601  1.00 12.79           C  \\nATOM    193  O   GLU A  22      34.654  -7.008  -8.550  1.00 14.56           O  \\nATOM    194  CB  GLU A  22      32.706  -9.174  -7.929  1.00 14.64           C  \\nATOM    195  CG  GLU A  22      32.057 -10.100  -6.954  1.00 15.63           C  \\nATOM    196  CD  GLU A  22      32.687  -9.982  -5.568  1.00 24.42           C  \\nATOM    197  OE1 GLU A  22      33.939  -9.752  -5.413  1.00 27.57           O  \\nATOM    198  OE2 GLU A  22      31.927 -10.082  -4.603  1.00 25.73           O  \\nATOM    199  N   GLY A  23      32.899  -5.860  -9.369  1.00 12.54           N  \\nATOM    200  CA  GLY A  23      33.714  -5.054 -10.291  1.00 12.77           C  \\nATOM    201  C   GLY A  23      33.925  -5.726 -11.631  1.00 13.27           C  \\nATOM    202  O   GLY A  23      34.746  -5.261 -12.389  1.00 12.49           O  \\nATOM    203  N   TYR A  24      33.188  -6.818 -11.934  1.00 12.52           N  \\nATOM    204  CA ATYR A  24      33.399  -7.500 -13.218  0.50 12.99           C  \\nATOM    205  CA BTYR A  24      33.342  -7.583 -13.178  0.50 13.06           C  \\nATOM    206  C   TYR A  24      32.400  -7.159 -14.255  1.00 12.20           C  \\nATOM    207  O   TYR A  24      31.233  -7.035 -13.968  1.00 12.55           O  \\nATOM    208  CB ATYR A  24      33.556  -9.021 -13.089  0.50 13.61           C  \\nATOM    209  CB BTYR A  24      33.041  -9.063 -12.949  0.50 13.86           C  \\nATOM    210  CG ATYR A  24      34.623  -9.343 -12.121  0.50 13.38           C  \\nATOM    211  CG BTYR A  24      33.927  -9.785 -11.988  0.50 13.37           C  \\nATOM    212  CD1ATYR A  24      35.916  -8.819 -12.279  0.50 11.36           C  \\nATOM    213  CD1BTYR A  24      35.285  -9.532 -11.952  0.50 17.24           C  \\nATOM    214  CD2ATYR A  24      34.349 -10.120 -11.004  0.50 14.00           C  \\nATOM    215  CD2BTYR A  24      33.402 -10.744 -11.107  0.50 15.02           C  \\nATOM    216  CE1ATYR A  24      36.918  -9.086 -11.342  0.50 12.77           C  \\nATOM    217  CE1BTYR A  24      36.106 -10.204 -11.059  0.50 16.72           C  \\nATOM    218  CE2ATYR A  24      35.317 -10.382 -10.083  0.50 15.94           C  \\nATOM    219  CE2BTYR A  24      34.209 -11.418 -10.221  0.50 15.43           C  \\nATOM    220  CZ ATYR A  24      36.598  -9.865 -10.238  0.50 14.47           C  \\nATOM    221  CZ BTYR A  24      35.565 -11.151 -10.195  0.50 16.64           C  \\nATOM    222  OH ATYR A  24      37.533 -10.179  -9.280  0.50 17.75           O  \\nATOM    223  OH BTYR A  24      36.411 -11.818  -9.312  0.50 13.96           O  \\nATOM    224  N   TYR A  25      32.932  -7.026 -15.486  1.00 12.09           N  \\nATOM    225  CA  TYR A  25      32.179  -6.584 -16.638  1.00 12.61           C  \\nATOM    226  C   TYR A  25      31.081  -7.581 -16.948  1.00 11.80           C  \\nATOM    227  O   TYR A  25      31.336  -8.785 -17.028  1.00 11.78           O  \\nATOM    228  CB  TYR A  25      33.048  -6.452 -17.840  1.00 11.99           C  \\nATOM    229  CG  TYR A  25      33.968  -5.305 -17.737  1.00 13.52           C  \\nATOM    230  CD1 TYR A  25      35.325  -5.518 -17.812  1.00 15.00           C  \\nATOM    231  CD2 TYR A  25      33.488  -4.013 -17.535  1.00 12.92           C  \\nATOM    232  CE1 TYR A  25      36.223  -4.433 -17.731  1.00 15.76           C  \\nATOM    233  CE2 TYR A  25      34.355  -2.917 -17.467  1.00 14.50           C  \\nATOM    234  CZ  TYR A  25      35.739  -3.147 -17.578  1.00 16.48           C  \\nATOM    235  OH  TYR A  25      36.629  -2.116 -17.499  1.00 18.00           O  \\nATOM    236  N   THR A  26      29.880  -7.035 -17.078  1.00 11.69           N  \\nATOM    237  CA  THR A  26      28.634  -7.821 -17.042  1.00 12.00           C  \\nATOM    238  C   THR A  26      27.677  -7.090 -17.975  1.00 11.69           C  \\nATOM    239  O   THR A  26      27.861  -5.934 -18.220  1.00 12.63           O  \\nATOM    240  CB  THR A  26      28.104  -7.933 -15.551  1.00 12.28           C  \\nATOM    241  OG1 THR A  26      29.112  -8.590 -14.733  1.00 13.67           O  \\nATOM    242  CG2 THR A  26      26.740  -8.671 -15.460  1.00 13.96           C  \\nATOM    243  N   ILE A  27      26.673  -7.754 -18.529  1.00 10.49           N  \\nATOM    244  CA  ILE A  27      25.623  -7.061 -19.275  1.00 11.85           C  \\nATOM    245  C   ILE A  27      24.289  -7.760 -19.021  1.00 10.90           C  \\nATOM    246  O   ILE A  27      24.262  -8.839 -18.484  1.00 13.57           O  \\nATOM    247  CB  ILE A  27      25.970  -6.982 -20.827  1.00  8.77           C  \\nATOM    248  CG1 ILE A  27      25.126  -5.864 -21.494  1.00  9.65           C  \\nATOM    249  CG2 ILE A  27      25.863  -8.366 -21.435  1.00 12.03           C  \\nATOM    250  CD1 ILE A  27      25.660  -5.372 -22.839  1.00 11.30           C  \\nATOM    251  N   GLY A  28      23.198  -7.134 -19.399  1.00 11.08           N  \\nATOM    252  CA  GLY A  28      21.893  -7.789 -19.451  1.00 11.75           C  \\nATOM    253  C   GLY A  28      21.405  -8.092 -18.068  1.00 11.50           C  \\nATOM    254  O   GLY A  28      21.389  -7.193 -17.197  1.00 11.34           O  \\nATOM    255  N   ILE A  29      21.008  -9.359 -17.869  1.00 11.68           N  \\nATOM    256  CA  ILE A  29      20.474  -9.822 -16.566  1.00 10.38           C  \\nATOM    257  C   ILE A  29      21.581 -10.615 -15.842  1.00 10.59           C  \\nATOM    258  O   ILE A  29      21.520 -11.830 -15.751  1.00 11.75           O  \\nATOM    259  CB  ILE A  29      19.130 -10.547 -16.693  1.00 11.65           C  \\nATOM    260  CG1 ILE A  29      18.055  -9.646 -17.356  1.00  8.43           C  \\nATOM    261  CG2 ILE A  29      18.591 -10.990 -15.328  1.00 10.08           C  \\nATOM    262  CD1 ILE A  29      16.933 -10.395 -18.113  1.00 12.83           C  \\nATOM    263  N   GLY A  30      22.601  -9.907 -15.332  1.00 10.90           N  \\nATOM    264  CA  GLY A  30      23.716 -10.556 -14.663  1.00 10.32           C  \\nATOM    265  C   GLY A  30      24.459 -11.550 -15.525  1.00 11.48           C  \\nATOM    266  O   GLY A  30      24.903 -12.643 -15.066  1.00 12.69           O  \\nATOM    267  N   HIS A  31      24.650 -11.172 -16.779  1.00  8.99           N  \\nATOM    268  CA  HIS A  31      25.436 -12.044 -17.632  1.00 10.80           C  \\nATOM    269  C   HIS A  31      26.876 -11.567 -17.520  1.00  8.81           C  \\nATOM    270  O   HIS A  31      27.255 -10.542 -18.111  1.00 10.50           O  \\nATOM    271  CB  HIS A  31      24.990 -11.990 -19.097  1.00  9.28           C  \\nATOM    272  CG  HIS A  31      25.845 -12.837 -19.965  1.00  9.54           C  \\nATOM    273  ND1 HIS A  31      25.671 -14.193 -20.067  1.00 14.49           N  \\nATOM    274  CD2 HIS A  31      26.987 -12.555 -20.634  1.00 13.34           C  \\nATOM    275  CE1 HIS A  31      26.628 -14.703 -20.827  1.00 14.65           C  \\nATOM    276  NE2 HIS A  31      27.438 -13.727 -21.177  1.00 13.40           N  \\nATOM    277  N   LEU A  32      27.674 -12.359 -16.827  1.00 10.44           N  \\nATOM    278  CA  LEU A  32      29.069 -12.061 -16.591  1.00 12.64           C  \\nATOM    279  C   LEU A  32      29.796 -12.233 -17.912  1.00 12.40           C  \\nATOM    280  O   LEU A  32      29.675 -13.272 -18.584  1.00 12.89           O  \\nATOM    281  CB  LEU A  32      29.615 -13.058 -15.554  1.00 13.09           C  \\nATOM    282  CG  LEU A  32      31.118 -12.943 -15.243  1.00 14.71           C  \\nATOM    283  CD1 LEU A  32      31.455 -11.547 -14.710  1.00 11.58           C  \\nATOM    284  CD2 LEU A  32      31.592 -14.089 -14.245  1.00 14.66           C  \\nATOM    285  N   LEU A  33      30.519 -11.216 -18.322  1.00 12.36           N  \\nATOM    286  CA  LEU A  33      31.266 -11.293 -19.602  1.00 13.55           C  \\nATOM    287  C   LEU A  33      32.696 -11.751 -19.366  1.00 15.00           C  \\nATOM    288  O   LEU A  33      33.203 -12.621 -20.102  1.00 15.58           O  \\nATOM    289  CB  LEU A  33      31.321  -9.920 -20.203  1.00 13.92           C  \\nATOM    290  CG  LEU A  33      29.961  -9.530 -20.748  1.00  9.98           C  \\nATOM    291  CD1 LEU A  33      29.967  -8.038 -21.078  1.00 11.52           C  \\nATOM    292  CD2 LEU A  33      29.599 -10.356 -22.046  1.00  6.96           C  \\nATOM    293  N   THR A  34      33.339 -11.200 -18.333  1.00 15.13           N  \\nATOM    294  CA  THR A  34      34.686 -11.561 -18.021  1.00 16.46           C  \\nATOM    295  C   THR A  34      35.082 -11.015 -16.666  1.00 17.47           C  \\nATOM    296  O   THR A  34      34.547  -9.979 -16.232  1.00 17.59           O  \\nATOM    297  CB  THR A  34      35.721 -10.977 -19.080  1.00 18.65           C  \\nATOM    298  OG1 THR A  34      37.052 -11.341 -18.700  1.00 19.78           O  \\nATOM    299  CG2 THR A  34      35.689  -9.465 -19.114  1.00 12.88           C  \\nATOM    300  N   LYS A  35      36.068 -11.674 -16.039  1.00 18.87           N  \\nATOM    301  CA  LYS A  35      36.806 -11.089 -14.902  1.00 21.97           C  \\nATOM    302  C   LYS A  35      37.974 -10.166 -15.236  1.00 23.16           C  \\nATOM    303  O   LYS A  35      38.512  -9.480 -14.335  1.00 23.53           O  \\nATOM    304  CB  LYS A  35      37.258 -12.169 -13.930  1.00 22.07           C  \\nATOM    305  CG  LYS A  35      36.033 -12.908 -13.404  1.00 22.54           C  \\nATOM    306  CD  LYS A  35      36.355 -13.859 -12.265  1.00 20.80           C  \\nATOM    307  CE  LYS A  35      35.035 -14.572 -11.907  1.00 28.15           C  \\nATOM    308  NZ  LYS A  35      35.218 -15.611 -10.823  1.00 29.37           N  \\nATOM    309  N   SER A  36      38.357 -10.125 -16.505  1.00 23.27           N  \\nATOM    310  CA  SER A  36      39.391  -9.206 -16.956  1.00 22.49           C  \\nATOM    311  C   SER A  36      39.054  -7.756 -16.718  1.00 22.79           C  \\nATOM    312  O   SER A  36      37.917  -7.313 -16.954  1.00 20.74           O  \\nATOM    313  CB  SER A  36      39.643  -9.383 -18.454  1.00 23.05           C  \\nATOM    314  OG  SER A  36      40.470  -8.323 -18.929  1.00 21.13           O  \\nATOM    315  N   PRO A  37      40.044  -6.993 -16.251  1.00 23.64           N  \\nATOM    316  CA  PRO A  37      39.856  -5.563 -16.100  1.00 23.78           C  \\nATOM    317  C   PRO A  37      39.896  -4.829 -17.439  1.00 24.01           C  \\nATOM    318  O   PRO A  37      39.743  -3.621 -17.474  1.00 23.95           O  \\nATOM    319  CB  PRO A  37      41.054  -5.135 -15.238  1.00 24.98           C  \\nATOM    320  CG  PRO A  37      42.145  -6.158 -15.541  1.00 24.78           C  \\nATOM    321  CD  PRO A  37      41.366  -7.465 -15.809  1.00 24.30           C  \\nATOM    322  N   ASP A  38      40.068  -5.565 -18.522  1.00 23.55           N  \\nATOM    323  CA  ASP A  38      40.176  -4.981 -19.861  1.00 23.61           C  \\nATOM    324  C   ASP A  38      38.763  -4.867 -20.435  1.00 22.10           C  \\nATOM    325  O   ASP A  38      38.113  -5.896 -20.726  1.00 23.06           O  \\nATOM    326  CB  ASP A  38      40.984  -5.939 -20.711  1.00 23.90           C  \\nATOM    327  CG  ASP A  38      41.359  -5.383 -22.079  1.00 29.00           C  \\nATOM    328  OD1 ASP A  38      40.917  -4.290 -22.515  1.00 31.63           O  \\nATOM    329  OD2 ASP A  38      42.140  -6.103 -22.744  0.50 31.87           O  \\nATOM    330  N   LEU A  39      38.291  -3.640 -20.593  1.00 20.06           N  \\nATOM    331  CA  LEU A  39      37.000  -3.399 -21.170  1.00 17.93           C  \\nATOM    332  C   LEU A  39      36.922  -4.016 -22.574  1.00 17.00           C  \\nATOM    333  O   LEU A  39      35.903  -4.585 -22.967  1.00 14.52           O  \\nATOM    334  CB  LEU A  39      36.636  -1.933 -21.144  1.00 19.75           C  \\nATOM    335  CG  LEU A  39      35.242  -1.577 -21.762  1.00 19.08           C  \\nATOM    336  CD1 LEU A  39      33.981  -2.226 -21.083  1.00 15.17           C  \\nATOM    337  CD2 LEU A  39      35.178  -0.079 -21.883  1.00 17.63           C  \\nATOM    338  N   ASN A  40      38.013  -3.974 -23.313  1.00 15.29           N  \\nATOM    339  CA  ASN A  40      37.986  -4.574 -24.624  1.00 16.57           C  \\nATOM    340  C   ASN A  40      37.790  -6.091 -24.605  1.00 15.17           C  \\nATOM    341  O   ASN A  40      37.255  -6.653 -25.553  1.00 15.96           O  \\nATOM    342  CB  ASN A  40      39.272  -4.248 -25.372  1.00 19.04           C  \\nATOM    343  CG  ASN A  40      39.309  -2.805 -25.835  1.00 24.09           C  \\nATOM    344  OD1 ASN A  40      38.287  -2.209 -26.268  1.00 27.52           O  \\nATOM    345  ND2 ASN A  40      40.500  -2.211 -25.714  1.00 29.99           N  \\nATOM    346  N   ALA A  41      38.321  -6.754 -23.585  1.00 15.24           N  \\nATOM    347  CA  ALA A  41      38.222  -8.195 -23.467  1.00 15.24           C  \\nATOM    348  C   ALA A  41      36.757  -8.490 -23.200  1.00 15.28           C  \\nATOM    349  O   ALA A  41      36.235  -9.509 -23.713  1.00 16.99           O  \\nATOM    350  CB  ALA A  41      39.085  -8.733 -22.392  1.00 13.34           C  \\nATOM    351  N   ALA A  42      36.085  -7.617 -22.421  1.00 15.41           N  \\nATOM    352  CA  ALA A  42      34.615  -7.764 -22.207  1.00 13.34           C  \\nATOM    353  C   ALA A  42      33.800  -7.533 -23.458  1.00 14.85           C  \\nATOM    354  O   ALA A  42      32.802  -8.239 -23.737  1.00 15.53           O  \\nATOM    355  CB  ALA A  42      34.111  -6.888 -21.007  1.00 14.75           C  \\nATOM    356  N   LYS A  43      34.207  -6.541 -24.235  1.00 14.45           N  \\nATOM    357  CA  LYS A  43      33.554  -6.246 -25.485  1.00 13.01           C  \\nATOM    358  C   LYS A  43      33.731  -7.366 -26.446  1.00 11.58           C  \\nATOM    359  O   LYS A  43      32.795  -7.672 -27.135  1.00 13.80           O  \\nATOM    360  CB  LYS A  43      34.002  -4.925 -26.119  1.00 13.83           C  \\nATOM    361  CG  LYS A  43      33.566  -3.712 -25.306  1.00 18.49           C  \\nATOM    362  CD  LYS A  43      34.132  -2.436 -25.871  1.00 21.84           C  \\nATOM    363  CE  LYS A  43      33.394  -1.273 -25.232  1.00 26.35           C  \\nATOM    364  NZ  LYS A  43      33.578  -0.015 -25.966  1.00 30.22           N  \\nATOM    365  N   SER A  44      34.896  -8.006 -26.487  1.00 11.60           N  \\nATOM    366  CA  SER A  44      35.087  -9.174 -27.387  1.00 12.83           C  \\nATOM    367  C   SER A  44      34.145 -10.342 -26.941  1.00 13.44           C  \\nATOM    368  O   SER A  44      33.436 -10.996 -27.768  1.00 13.24           O  \\nATOM    369  CB  SER A  44      36.594  -9.526 -27.412  1.00 14.76           C  \\nATOM    370  OG  SER A  44      36.850 -10.723 -28.102  1.00 18.81           O  \\nATOM    371  N   GLU A  45      34.089 -10.602 -25.629  1.00 13.03           N  \\nATOM    372  CA  GLU A  45      33.200 -11.666 -25.058  1.00 12.59           C  \\nATOM    373  C   GLU A  45      31.750 -11.385 -25.361  1.00 12.07           C  \\nATOM    374  O   GLU A  45      31.017 -12.296 -25.676  1.00 13.76           O  \\nATOM    375  CB  GLU A  45      33.334 -11.748 -23.555  1.00 10.62           C  \\nATOM    376  CG  GLU A  45      34.647 -12.347 -23.128  1.00 12.96           C  \\nATOM    377  CD  GLU A  45      34.855 -13.718 -23.805  1.00 15.13           C  \\nATOM    378  OE1 GLU A  45      34.075 -14.665 -23.575  1.00 13.31           O  \\nATOM    379  OE2 GLU A  45      35.826 -13.847 -24.550  1.00 17.67           O  \\nATOM    380  N   LEU A  46      31.316 -10.121 -25.250  1.00 11.28           N  \\nATOM    381  CA  LEU A  46      29.963  -9.716 -25.595  1.00 10.57           C  \\nATOM    382  C   LEU A  46      29.645 -10.066 -27.044  1.00 11.44           C  \\nATOM    383  O   LEU A  46      28.620 -10.666 -27.334  1.00 12.45           O  \\nATOM    384  CB  LEU A  46      29.680  -8.195 -25.388  1.00  7.82           C  \\nATOM    385  CG  LEU A  46      28.261  -7.700 -25.710  1.00  8.57           C  \\nATOM    386  CD1 LEU A  46      27.223  -8.416 -24.846  1.00 11.19           C  \\nATOM    387  CD2 LEU A  46      28.126  -6.246 -25.455  1.00 10.01           C  \\nATOM    388  N   ASP A  47      30.509  -9.645 -27.950  1.00 12.06           N  \\nATOM    389  CA  ASP A  47      30.287  -9.869 -29.345  1.00 11.19           C  \\nATOM    390  C   ASP A  47      30.254 -11.369 -29.653  1.00 11.07           C  \\nATOM    391  O   ASP A  47      29.487 -11.789 -30.501  1.00 10.42           O  \\nATOM    392  CB  ASP A  47      31.423  -9.217 -30.093  1.00 10.99           C  \\nATOM    393  CG  ASP A  47      31.363  -7.695 -30.024  1.00 12.43           C  \\nATOM    394  OD1 ASP A  47      30.355  -7.081 -29.552  1.00 10.46           O  \\nATOM    395  OD2 ASP A  47      32.309  -7.121 -30.573  1.00 18.98           O  \\nATOM    396  N   LYS A  48      31.150 -12.145 -29.021  1.00 10.81           N  \\nATOM    397  CA  LYS A  48      31.160 -13.618 -29.170  1.00 10.31           C  \\nATOM    398  C   LYS A  48      29.782 -14.205 -28.710  1.00  9.51           C  \\nATOM    399  O   LYS A  48      29.201 -15.075 -29.374  1.00 10.98           O  \\nATOM    400  CB  LYS A  48      32.335 -14.214 -28.396  1.00  8.87           C  \\nATOM    401  CG  LYS A  48      32.462 -15.715 -28.570  1.00  9.35           C  \\nATOM    402  CD  LYS A  48      33.818 -16.315 -28.181  1.00  8.34           C  \\nATOM    403  CE  LYS A  48      34.396 -15.833 -26.876  1.00  9.68           C  \\nATOM    404  NZ  LYS A  48      33.695 -16.293 -25.719  1.00 11.58           N  \\nATOM    405  N   ALA A  49      29.245 -13.662 -27.615  1.00 10.87           N  \\nATOM    406  CA  ALA A  49      28.052 -14.170 -26.929  1.00 12.51           C  \\nATOM    407  C   ALA A  49      26.820 -13.908 -27.790  1.00 12.83           C  \\nATOM    408  O   ALA A  49      25.892 -14.760 -27.952  1.00 11.18           O  \\nATOM    409  CB  ALA A  49      27.927 -13.423 -25.553  1.00 13.07           C  \\nATOM    410  N   ILE A  50      26.842 -12.746 -28.406  1.00 12.15           N  \\nATOM    411  CA  ILE A  50      25.673 -12.274 -29.151  1.00 12.61           C  \\nATOM    412  C   ILE A  50      25.735 -12.652 -30.633  1.00 11.87           C  \\nATOM    413  O   ILE A  50      24.695 -12.767 -31.255  1.00 12.43           O  \\nATOM    414  CB  ILE A  50      25.472 -10.730 -29.010  1.00 10.16           C  \\nATOM    415  CG1 ILE A  50      25.282 -10.393 -27.508  1.00 14.77           C  \\nATOM    416  CG2 ILE A  50      24.281 -10.260 -29.866  1.00 11.98           C  \\nATOM    417  CD1 ILE A  50      24.049 -10.949 -26.859  1.00 14.13           C  \\nATOM    418  N   GLY A  51      26.937 -12.913 -31.144  1.00 13.85           N  \\nATOM    419  CA  GLY A  51      27.113 -13.231 -32.576  1.00 14.53           C  \\nATOM    420  C   GLY A  51      27.105 -11.986 -33.492  1.00 17.21           C  \\nATOM    421  O   GLY A  51      26.856 -12.081 -34.685  1.00 17.73           O  \\nATOM    422  N   ARG A  52      27.351 -10.806 -32.950  1.00 16.02           N  \\nATOM    423  CA  ARG A  52      27.364  -9.594 -33.759  1.00 16.50           C  \\nATOM    424  C   ARG A  52      28.271  -8.634 -33.015  1.00 14.92           C  \\nATOM    425  O   ARG A  52      28.613  -8.905 -31.871  1.00 15.80           O  \\nATOM    426  CB  ARG A  52      25.933  -9.028 -34.021  1.00 15.77           C  \\nATOM    427  CG  ARG A  52      25.246  -8.424 -32.779  1.00 17.56           C  \\nATOM    428  CD  ARG A  52      23.915  -7.712 -33.120  1.00 20.09           C  \\nATOM    429  NE  ARG A  52      23.293  -7.136 -31.928  1.00 20.79           N  \\nATOM    430  CZ  ARG A  52      23.658  -6.002 -31.341  1.00 21.18           C  \\nATOM    431  NH1 ARG A  52      24.597  -5.250 -31.904  1.00 25.60           N  \\nATOM    432  NH2 ARG A  52      23.006  -5.576 -30.243  1.00 23.53           N  \\nATOM    433  N   ASN A  53      28.662  -7.545 -33.683  1.00 14.53           N  \\nATOM    434  CA  ASN A  53      29.520  -6.494 -33.171  1.00 15.36           C  \\nATOM    435  C   ASN A  53      28.632  -5.561 -32.350  1.00 15.47           C  \\nATOM    436  O   ASN A  53      27.881  -4.804 -32.906  1.00 13.54           O  \\nATOM    437  CB  ASN A  53      30.083  -5.698 -34.363  1.00 15.64           C  \\nATOM    438  CG  ASN A  53      31.367  -6.294 -34.930  0.50 16.35           C  \\nATOM    439  OD1 ASN A  53      32.043  -7.087 -34.292  0.50 17.84           O  \\nATOM    440  ND2 ASN A  53      31.703  -5.901 -36.141  0.50 14.99           N  \\nATOM    441  N   CYS A  54      28.636  -5.674 -31.027  1.00 15.19           N  \\nATOM    442  CA  CYS A  54      27.590  -4.959 -30.253  1.00 15.66           C  \\nATOM    443  C   CYS A  54      28.035  -3.621 -29.806  1.00 15.84           C  \\nATOM    444  O   CYS A  54      27.199  -2.775 -29.399  1.00 18.75           O  \\nATOM    445  CB  CYS A  54      27.165  -5.741 -29.019  1.00 14.40           C  \\nATOM    446  SG  CYS A  54      26.498  -7.306 -29.460  1.00 17.76           S  \\nATOM    447  N   ASN A  55      29.345  -3.411 -29.844  1.00 16.88           N  \\nATOM    448  CA  ASN A  55      29.936  -2.166 -29.332  1.00 17.33           C  \\nATOM    449  C   ASN A  55      29.426  -1.846 -27.898  1.00 17.29           C  \\nATOM    450  O   ASN A  55      29.010  -0.715 -27.600  1.00 18.40           O  \\nATOM    451  CB  ASN A  55      29.776  -1.019 -30.373  0.50 17.07           C  \\nATOM    452  CG  ASN A  55      30.752  -1.170 -31.559  0.50 16.33           C  \\nATOM    453  OD1 ASN A  55      30.405  -1.679 -32.645  0.50 15.28           O  \\nATOM    454  ND2 ASN A  55      32.004  -0.737 -31.339  0.50 17.57           N  \\nATOM    455  N   GLY A  56      29.441  -2.884 -27.041  1.00 17.17           N  \\nATOM    456  CA  GLY A  56      29.107  -2.757 -25.606  1.00 15.09           C  \\nATOM    457  C   GLY A  56      27.651  -2.511 -25.272  1.00 13.62           C  \\nATOM    458  O   GLY A  56      27.334  -2.204 -24.136  1.00 13.57           O  \\nATOM    459  N   VAL A  57      26.748  -2.702 -26.236  1.00 13.31           N  \\nATOM    460  CA  VAL A  57      25.346  -2.490 -26.026  1.00 13.69           C  \\nATOM    461  C   VAL A  57      24.535  -3.599 -26.695  1.00 12.83           C  \\nATOM    462  O   VAL A  57      24.850  -4.088 -27.791  1.00 12.42           O  \\nATOM    463  CB  VAL A  57      24.859  -1.101 -26.538  1.00 15.47           C  \\nATOM    464  CG1 VAL A  57      23.410  -0.916 -26.178  1.00 13.56           C  \\nATOM    465  CG2 VAL A  57      25.705   0.016 -25.893  1.00 14.18           C  \\nATOM    466  N   ILE A  58      23.511  -4.022 -25.982  1.00 13.06           N  \\nATOM    467  CA  ILE A  58      22.602  -5.022 -26.493  1.00 12.11           C  \\nATOM    468  C   ILE A  58      21.164  -4.584 -26.292  1.00 12.45           C  \\nATOM    469  O   ILE A  58      20.885  -3.604 -25.568  1.00 13.66           O  \\nATOM    470  CB  ILE A  58      22.798  -6.421 -25.791  1.00 10.33           C  \\nATOM    471  CG1 ILE A  58      22.427  -6.352 -24.291  1.00 12.49           C  \\nATOM    472  CG2 ILE A  58      24.250  -7.024 -26.093  1.00 12.03           C  \\nATOM    473  CD1 ILE A  58      22.387  -7.785 -23.587  1.00  9.93           C  \\nATOM    474  N   THR A  59      20.253  -5.328 -26.935  1.00 12.65           N  \\nATOM    475  CA  THR A  59      18.812  -5.151 -26.769  1.00 13.78           C  \\nATOM    476  C   THR A  59      18.222  -5.960 -25.596  1.00 14.47           C  \\nATOM    477  O   THR A  59      18.852  -6.901 -25.069  1.00 12.93           O  \\nATOM    478  CB  THR A  59      18.073  -5.512 -28.073  1.00 15.34           C  \\nATOM    479  OG1 THR A  59      18.130  -6.940 -28.269  1.00 14.31           O  \\nATOM    480  CG2 THR A  59      18.685  -4.675 -29.284  1.00 14.99           C  \\nATOM    481  N   LYS A  60      16.981  -5.603 -25.230  1.00 15.15           N  \\nATOM    482  CA  LYS A  60      16.272  -6.347 -24.200  1.00 15.55           C  \\nATOM    483  C   LYS A  60      16.150  -7.794 -24.630  1.00 15.96           C  \\nATOM    484  O   LYS A  60      16.365  -8.714 -23.817  1.00 15.57           O  \\nATOM    485  CB  LYS A  60      14.914  -5.735 -23.901  1.00 15.63           C  \\nATOM    486  CG  LYS A  60      14.212  -6.387 -22.697  1.00 14.56           C  \\nATOM    487  CD  LYS A  60      13.071  -5.601 -22.181  1.00 16.36           C  \\nATOM    488  CE  LYS A  60      12.125  -6.493 -21.386  1.00 21.55           C  \\nATOM    489  NZ  LYS A  60      10.958  -5.776 -20.764  0.50 24.65           N  \\nATOM    490  N   ASP A  61      15.803  -8.011 -25.912  1.00 16.94           N  \\nATOM    491  CA  ASP A  61      15.634  -9.389 -26.387  1.00 15.82           C  \\nATOM    492  C   ASP A  61      16.949 -10.149 -26.254  1.00 13.72           C  \\nATOM    493  O   ASP A  61      16.957 -11.323 -25.851  1.00 12.79           O  \\nATOM    494  CB  ASP A  61      15.230  -9.414 -27.845  1.00 16.67           C  \\nATOM    495  CG  ASP A  61      13.789  -9.038 -28.059  1.00 22.04           C  \\nATOM    496  OD1 ASP A  61      13.035  -8.672 -27.114  1.00 24.22           O  \\nATOM    497  OD2 ASP A  61      13.389  -9.094 -29.238  1.00 29.10           O  \\nATOM    498  N   GLU A  62      18.050  -9.502 -26.637  1.00 12.95           N  \\nATOM    499  CA  GLU A  62      19.371 -10.153 -26.539  1.00 13.13           C  \\nATOM    500  C   GLU A  62      19.666 -10.403 -25.071  1.00 11.06           C  \\nATOM    501  O   GLU A  62      20.270 -11.425 -24.758  1.00 10.10           O  \\nATOM    502  CB  GLU A  62      20.457  -9.318 -27.156  1.00 13.17           C  \\nATOM    503  CG  GLU A  62      20.188  -9.063 -28.645  1.00 16.48           C  \\nATOM    504  CD  GLU A  62      21.138  -8.105 -29.365  1.00 16.24           C  \\nATOM    505  OE1 GLU A  62      21.583  -7.055 -28.815  1.00 15.48           O  \\nATOM    506  OE2 GLU A  62      21.446  -8.420 -30.546  1.00 15.92           O  \\nATOM    507  N   ALA A  63      19.276  -9.464 -24.174  1.00 10.00           N  \\nATOM    508  CA  ALA A  63      19.507  -9.712 -22.738  1.00  8.92           C  \\nATOM    509  C   ALA A  63      18.773 -10.963 -22.260  1.00 10.79           C  \\nATOM    510  O   ALA A  63      19.393 -11.814 -21.590  1.00 11.01           O  \\nATOM    511  CB  ALA A  63      19.137  -8.549 -21.890  1.00 11.14           C  \\nATOM    512  N   GLU A  64      17.476 -11.074 -22.613  1.00 10.55           N  \\nATOM    513  CA  GLU A  64      16.654 -12.183 -22.194  1.00  9.59           C  \\nATOM    514  C   GLU A  64      17.154 -13.459 -22.831  1.00 10.50           C  \\nATOM    515  O   GLU A  64      17.118 -14.491 -22.222  1.00 10.93           O  \\nATOM    516  CB  GLU A  64      15.227 -11.879 -22.514  1.00 11.46           C  \\nATOM    517  CG  GLU A  64      14.650 -10.758 -21.559  1.00 12.95           C  \\nATOM    518  CD  GLU A  64      13.361 -10.129 -22.108  1.00 19.94           C  \\nATOM    519  OE1 GLU A  64      13.046 -10.395 -23.301  1.00 21.72           O  \\nATOM    520  OE2 GLU A  64      12.700  -9.325 -21.383  1.00 21.66           O  \\nATOM    521  N   LYS A  65      17.681 -13.388 -24.050  1.00  9.94           N  \\nATOM    522  CA  LYS A  65      18.256 -14.589 -24.614  1.00 10.27           C  \\nATOM    523  C   LYS A  65      19.452 -15.142 -23.818  1.00 10.44           C  \\nATOM    524  O   LYS A  65      19.510 -16.322 -23.500  1.00  8.28           O  \\nATOM    525  CB  LYS A  65      18.621 -14.364 -26.077  1.00 10.94           C  \\nATOM    526  CG  LYS A  65      19.120 -15.640 -26.661  1.00  9.62           C  \\nATOM    527  CD  LYS A  65      19.273 -15.438 -28.137  1.00 18.05           C  \\nATOM    528  CE  LYS A  65      19.717 -16.760 -28.669  1.00 20.75           C  \\nATOM    529  NZ  LYS A  65      19.257 -16.995 -30.009  1.00 22.44           N  \\nATOM    530  N   LEU A  66      20.416 -14.292 -23.518  1.00 11.27           N  \\nATOM    531  CA  LEU A  66      21.577 -14.664 -22.689  1.00 10.98           C  \\nATOM    532  C   LEU A  66      21.059 -15.219 -21.339  1.00 10.20           C  \\nATOM    533  O   LEU A  66      21.603 -16.197 -20.770  1.00  8.48           O  \\nATOM    534  CB  LEU A  66      22.431 -13.396 -22.435  1.00 11.43           C  \\nATOM    535  CG  LEU A  66      23.246 -12.880 -23.691  1.00 10.72           C  \\nATOM    536  CD1 LEU A  66      23.979 -11.568 -23.276  1.00 15.89           C  \\nATOM    537  CD2 LEU A  66      24.275 -13.877 -24.098  1.00 17.06           C  \\nATOM    538  N   PHE A  67      20.045 -14.540 -20.815  1.00 10.45           N  \\nATOM    539  CA  PHE A  67      19.483 -14.876 -19.493  1.00 11.64           C  \\nATOM    540  C   PHE A  67      18.889 -16.290 -19.535  1.00 11.66           C  \\nATOM    541  O   PHE A  67      19.155 -17.127 -18.662  1.00 12.35           O  \\nATOM    542  CB  PHE A  67      18.431 -13.838 -19.108  1.00 10.74           C  \\nATOM    543  CG  PHE A  67      17.788 -14.043 -17.704  1.00 13.29           C  \\nATOM    544  CD1 PHE A  67      18.546 -14.451 -16.611  1.00 11.59           C  \\nATOM    545  CD2 PHE A  67      16.417 -13.717 -17.508  1.00 14.66           C  \\nATOM    546  CE1 PHE A  67      18.012 -14.551 -15.339  1.00 13.70           C  \\nATOM    547  CE2 PHE A  67      15.844 -13.829 -16.240  1.00  8.46           C  \\nATOM    548  CZ  PHE A  67      16.641 -14.258 -15.165  1.00 14.46           C  \\nATOM    549  N   ASN A  68      18.036 -16.548 -20.516  1.00 11.62           N  \\nATOM    550  CA AASN A  68      17.541 -17.893 -20.780  0.50 11.70           C  \\nATOM    551  CA BASN A  68      17.543 -17.904 -20.656  0.50 11.62           C  \\nATOM    552  C   ASN A  68      18.665 -18.909 -20.772  1.00 11.78           C  \\nATOM    553  O   ASN A  68      18.594 -19.936 -20.142  1.00 13.01           O  \\nATOM    554  CB AASN A  68      16.820 -17.901 -22.136  0.50 11.53           C  \\nATOM    555  CB BASN A  68      16.563 -18.019 -21.810  0.50 11.63           C  \\nATOM    556  CG AASN A  68      15.372 -17.443 -22.038  0.50 12.13           C  \\nATOM    557  CG BASN A  68      15.825 -19.342 -21.829  0.50 11.61           C  \\nATOM    558  OD1AASN A  68      14.742 -17.598 -20.989  0.50 13.94           O  \\nATOM    559  OD1BASN A  68      16.124 -20.285 -21.087  0.50 13.56           O  \\nATOM    560  ND2AASN A  68      14.830 -16.893 -23.139  0.50  8.69           N  \\nATOM    561  ND2BASN A  68      14.820 -19.409 -22.683  0.50 15.20           N  \\nATOM    562  N   GLN A  69      19.727 -18.630 -21.556  1.00 11.81           N  \\nATOM    563  CA  GLN A  69      20.846 -19.553 -21.615  1.00 11.54           C  \\nATOM    564  C   GLN A  69      21.544 -19.724 -20.245  1.00 12.95           C  \\nATOM    565  O   GLN A  69      21.915 -20.861 -19.870  1.00 12.00           O  \\nATOM    566  CB  GLN A  69      21.893 -19.068 -22.615  1.00 12.40           C  \\nATOM    567  CG  GLN A  69      21.358 -19.052 -23.987  1.00  9.65           C  \\nATOM    568  CD  GLN A  69      22.297 -18.543 -25.025  1.00 15.93           C  \\nATOM    569  OE1 GLN A  69      22.004 -18.771 -26.199  1.00 14.26           O  \\nATOM    570  NE2 GLN A  69      23.447 -17.857 -24.639  1.00  7.52           N  \\nATOM    571  N   ASP A  70      21.682 -18.609 -19.520  1.00 12.06           N  \\nATOM    572  CA  ASP A  70      22.362 -18.581 -18.205  1.00 13.01           C  \\nATOM    573  C   ASP A  70      21.603 -19.373 -17.141  1.00 13.30           C  \\nATOM    574  O   ASP A  70      22.218 -20.158 -16.423  1.00 13.91           O  \\nATOM    575  CB  ASP A  70      22.656 -17.133 -17.741  1.00 12.93           C  \\nATOM    576  CG  ASP A  70      23.751 -16.485 -18.601  1.00 12.85           C  \\nATOM    577  OD1 ASP A  70      24.358 -17.190 -19.432  1.00 10.38           O  \\nATOM    578  OD2 ASP A  70      23.960 -15.296 -18.478  1.00 15.54           O  \\nATOM    579  N   VAL A  71      20.282 -19.221 -17.121  1.00 13.81           N  \\nATOM    580  CA  VAL A  71      19.446 -19.962 -16.161  1.00 14.32           C  \\nATOM    581  C   VAL A  71      19.507 -21.448 -16.479  1.00 13.97           C  \\nATOM    582  O   VAL A  71      19.792 -22.277 -15.617  1.00 13.66           O  \\nATOM    583  CB  VAL A  71      18.053 -19.421 -16.128  1.00 14.69           C  \\nATOM    584  CG1 VAL A  71      17.122 -20.311 -15.207  1.00 17.08           C  \\nATOM    585  CG2 VAL A  71      18.085 -17.953 -15.713  1.00 13.00           C  \\nATOM    586  N   ASP A  72      19.282 -21.772 -17.752  1.00 13.09           N  \\nATOM    587  CA AASP A  72      19.329 -23.119 -18.221  0.50 12.65           C  \\nATOM    588  CA BASP A  72      19.320 -23.135 -18.192  0.25 12.18           C  \\nATOM    589  C   ASP A  72      20.672 -23.728 -17.839  1.00 13.46           C  \\nATOM    590  O   ASP A  72      20.747 -24.804 -17.204  1.00 13.48           O  \\nATOM    591  CB AASP A  72      19.131 -23.105 -19.725  0.50 12.21           C  \\nATOM    592  CB BASP A  72      19.066 -23.195 -19.680  0.50 10.51           C  \\nATOM    593  CG AASP A  72      18.850 -24.456 -20.279  0.50 15.38           C  \\nATOM    594  CG BASP A  72      18.935 -24.600 -20.185  0.25  9.93           C  \\nATOM    595  OD1AASP A  72      18.703 -25.384 -19.461  0.50 14.46           O  \\nATOM    596  OD1BASP A  72      17.767 -25.017 -20.398  0.25 10.93           O  \\nATOM    597  OD2AASP A  72      18.757 -24.584 -21.537  0.50 17.74           O  \\nATOM    598  OD2BASP A  72      19.987 -25.267 -20.383  0.25  2.00           O  \\nATOM    599  N   ALA A  73      21.753 -23.034 -18.193  1.00 14.64           N  \\nATOM    600  CA  ALA A  73      23.066 -23.541 -17.803  1.00 16.63           C  \\nATOM    601  C   ALA A  73      23.235 -23.723 -16.280  1.00 15.99           C  \\nATOM    602  O   ALA A  73      23.863 -24.709 -15.861  1.00 16.82           O  \\nATOM    603  CB  ALA A  73      24.160 -22.645 -18.298  1.00 18.31           C  \\nATOM    604  N   ALA A  74      22.722 -22.800 -15.474  1.00 15.03           N  \\nATOM    605  CA  ALA A  74      22.859 -22.917 -13.996  1.00 14.63           C  \\nATOM    606  C   ALA A  74      22.242 -24.300 -13.543  1.00 14.71           C  \\nATOM    607  O   ALA A  74      22.849 -25.018 -12.790  1.00 15.11           O  \\nATOM    608  CB  ALA A  74      22.249 -21.719 -13.277  1.00 12.58           C  \\nATOM    609  N   VAL A  75      21.082 -24.664 -14.104  1.00 14.47           N  \\nATOM    610  CA  VAL A  75      20.326 -25.869 -13.679  1.00 15.31           C  \\nATOM    611  C   VAL A  75      21.103 -27.088 -14.098  1.00 16.89           C  \\nATOM    612  O   VAL A  75      21.338 -28.031 -13.300  1.00 16.13           O  \\nATOM    613  CB  VAL A  75      18.931 -25.940 -14.349  1.00 15.57           C  \\nATOM    614  CG1 VAL A  75      18.206 -27.287 -13.927  1.00 12.54           C  \\nATOM    615  CG2 VAL A  75      18.149 -24.774 -13.967  1.00 13.69           C  \\nATOM    616  N   ARG A  76      21.502 -27.052 -15.375  1.00 17.86           N  \\nATOM    617  CA  ARG A  76      22.166 -28.157 -15.972  1.00 18.45           C  \\nATOM    618  C   ARG A  76      23.495 -28.366 -15.231  1.00 18.97           C  \\nATOM    619  O   ARG A  76      23.886 -29.522 -15.042  1.00 18.42           O  \\nATOM    620  CB  ARG A  76      22.347 -27.987 -17.489  1.00 18.37           C  \\nATOM    621  CG  ARG A  76      21.030 -28.084 -18.280  1.00 21.02           C  \\nATOM    622  CD  ARG A  76      20.234 -29.467 -18.062  1.00 23.30           C  \\nATOM    623  NE  ARG A  76      20.859 -30.673 -18.667  1.00 24.78           N  \\nATOM    624  CZ  ARG A  76      20.870 -30.966 -19.981  1.00 24.82           C  \\nATOM    625  NH1 ARG A  76      20.309 -30.137 -20.881  1.00 23.72           N  \\nATOM    626  NH2 ARG A  76      21.417 -32.123 -20.383  1.00 21.50           N  \\nATOM    627  N   GLY A  77      24.123 -27.266 -14.783  1.00 17.52           N  \\nATOM    628  CA  GLY A  77      25.342 -27.371 -13.980  1.00 18.05           C  \\nATOM    629  C   GLY A  77      25.118 -28.051 -12.621  1.00 18.04           C  \\nATOM    630  O   GLY A  77      25.866 -28.978 -12.226  1.00 18.57           O  \\nATOM    631  N   ILE A  78      24.052 -27.641 -11.954  1.00 14.98           N  \\nATOM    632  CA  ILE A  78      23.681 -28.257 -10.693  1.00 15.97           C  \\nATOM    633  C   ILE A  78      23.470 -29.793 -10.905  1.00 16.71           C  \\nATOM    634  O   ILE A  78      24.019 -30.638 -10.151  1.00 16.13           O  \\nATOM    635  CB  ILE A  78      22.387 -27.607 -10.169  1.00 15.31           C  \\nATOM    636  CG1 ILE A  78      22.703 -26.258  -9.543  1.00 13.49           C  \\nATOM    637  CG2 ILE A  78      21.706 -28.544  -9.127  1.00 13.94           C  \\nATOM    638  CD1 ILE A  78      21.429 -25.340  -9.385  1.00 12.53           C  \\nATOM    639  N   LEU A  79      22.708 -30.137 -11.956  1.00 17.70           N  \\nATOM    640  CA  LEU A  79      22.342 -31.549 -12.249  1.00 18.29           C  \\nATOM    641  C   LEU A  79      23.567 -32.381 -12.593  1.00 19.08           C  \\nATOM    642  O   LEU A  79      23.559 -33.554 -12.312  1.00 20.14           O  \\nATOM    643  CB  LEU A  79      21.271 -31.636 -13.343  1.00 16.98           C  \\nATOM    644  CG  LEU A  79      19.942 -30.927 -13.080  1.00 18.32           C  \\nATOM    645  CD1 LEU A  79      18.969 -31.311 -14.196  1.00 20.14           C  \\nATOM    646  CD2 LEU A  79      19.316 -31.280 -11.687  1.00 14.70           C  \\nATOM    647  N   ARG A  80      24.639 -31.761 -13.106  1.00 20.00           N  \\nATOM    648  CA AARG A  80      25.922 -32.396 -13.482  0.50 21.00           C  \\nATOM    649  CA BARG A  80      25.851 -32.517 -13.445  0.50 21.04           C  \\nATOM    650  C   ARG A  80      26.840 -32.580 -12.270  1.00 21.27           C  \\nATOM    651  O   ARG A  80      27.798 -33.332 -12.294  1.00 21.73           O  \\nATOM    652  CB AARG A  80      26.679 -31.500 -14.496  0.50 20.88           C  \\nATOM    653  CB BARG A  80      26.521 -31.955 -14.712  0.50 21.20           C  \\nATOM    654  CG AARG A  80      26.661 -31.978 -15.932  0.50 21.97           C  \\nATOM    655  CG BARG A  80      25.714 -32.242 -15.982  0.50 22.66           C  \\nATOM    656  CD AARG A  80      27.524 -31.088 -16.870  0.50 21.53           C  \\nATOM    657  CD BARG A  80      26.428 -31.725 -17.224  0.50 21.75           C  \\nATOM    658  NE AARG A  80      26.737 -30.102 -17.636  0.50 22.62           N  \\nATOM    659  NE BARG A  80      25.862 -30.471 -17.728  0.50 25.51           N  \\nATOM    660  CZ AARG A  80      26.769 -28.788 -17.456  0.50 17.84           C  \\nATOM    661  CZ BARG A  80      25.006 -30.421 -18.737  0.50 22.61           C  \\nATOM    662  NH1AARG A  80      27.557 -28.243 -16.540  0.50 20.02           N  \\nATOM    663  NH1BARG A  80      24.649 -31.545 -19.324  0.50 24.25           N  \\nATOM    664  NH2AARG A  80      26.024 -28.018 -18.226  0.50 20.52           N  \\nATOM    665  NH2BARG A  80      24.535 -29.263 -19.166  0.50 22.32           N  \\nATOM    666  N   ASN A  81      26.536 -31.869 -11.203  1.00 20.47           N  \\nATOM    667  CA  ASN A  81      27.380 -31.831 -10.030  1.00 18.36           C  \\nATOM    668  C   ASN A  81      26.972 -32.828  -8.945  1.00 16.30           C  \\nATOM    669  O   ASN A  81      25.905 -32.741  -8.334  1.00 16.06           O  \\nATOM    670  CB  ASN A  81      27.447 -30.405  -9.547  1.00 18.17           C  \\nATOM    671  CG  ASN A  81      28.455 -30.186  -8.428  1.00 18.04           C  \\nATOM    672  OD1 ASN A  81      28.467 -30.868  -7.416  1.00 18.71           O  \\nATOM    673  ND2 ASN A  81      29.217 -29.158  -8.563  1.00 16.25           N  \\nATOM    674  N   ALA A  82      27.848 -33.795  -8.728  1.00 16.51           N  \\nATOM    675  CA  ALA A  82      27.607 -34.849  -7.726  1.00 17.01           C  \\nATOM    676  C   ALA A  82      27.338 -34.313  -6.348  1.00 16.74           C  \\nATOM    677  O   ALA A  82      26.596 -34.947  -5.598  1.00 17.60           O  \\nATOM    678  CB  ALA A  82      28.775 -35.854  -7.667  1.00 16.45           C  \\nATOM    679  N   LYS A  83      28.010 -33.219  -5.938  1.00 17.87           N  \\nATOM    680  CA  LYS A  83      27.694 -32.636  -4.634  1.00 18.19           C  \\nATOM    681  C   LYS A  83      26.325 -31.918  -4.610  1.00 16.92           C  \\nATOM    682  O   LYS A  83      25.613 -31.921  -3.576  1.00 15.75           O  \\nATOM    683  CB  LYS A  83      28.770 -31.632  -4.191  1.00 21.02           C  \\nATOM    684  CG  LYS A  83      30.229 -32.140  -3.925  1.00 21.08           C  \\nATOM    685  CD  LYS A  83      30.272 -33.505  -3.162  1.00 25.06           C  \\nATOM    686  CE  LYS A  83      31.717 -34.072  -3.176  0.50 22.78           C  \\nATOM    687  NZ  LYS A  83      31.791 -35.494  -2.660  0.50 21.91           N  \\nATOM    688  N   LEU A  84      25.966 -31.254  -5.698  1.00 15.29           N  \\nATOM    689  CA  LEU A  84      24.751 -30.451  -5.706  1.00 13.58           C  \\nATOM    690  C   LEU A  84      23.466 -31.194  -6.041  1.00 12.55           C  \\nATOM    691  O   LEU A  84      22.428 -30.921  -5.469  1.00 11.18           O  \\nATOM    692  CB  LEU A  84      24.852 -29.184  -6.614  1.00 13.15           C  \\nATOM    693  CG  LEU A  84      26.065 -28.311  -6.204  1.00 15.68           C  \\nATOM    694  CD1 LEU A  84      26.191 -27.075  -7.087  1.00 16.32           C  \\nATOM    695  CD2 LEU A  84      25.995 -27.895  -4.722  1.00 14.11           C  \\nATOM    696  N   LYS A  85      23.515 -32.069  -7.022  1.00 13.06           N  \\nATOM    697  CA  LYS A  85      22.313 -32.704  -7.507  1.00 12.55           C  \\nATOM    698  C   LYS A  85      21.534 -33.396  -6.373  1.00 12.36           C  \\nATOM    699  O   LYS A  85      20.339 -33.227  -6.321  1.00 11.04           O  \\nATOM    700  CB  LYS A  85      22.673 -33.751  -8.539  1.00 12.48           C  \\nATOM    701  CG  LYS A  85      21.472 -34.332  -9.236  1.00 14.44           C  \\nATOM    702  CD  LYS A  85      21.993 -35.262 -10.277  1.00 15.12           C  \\nATOM    703  CE  LYS A  85      20.899 -35.812 -11.231  1.00 21.52           C  \\nATOM    704  NZ  LYS A  85      19.645 -36.159 -10.573  1.00 27.30           N  \\nATOM    705  N   PRO A  86      22.209 -34.190  -5.494  1.00 13.36           N  \\nATOM    706  CA  PRO A  86      21.280 -34.862  -4.535  1.00 15.21           C  \\nATOM    707  C   PRO A  86      20.522 -33.860  -3.645  1.00 13.25           C  \\nATOM    708  O   PRO A  86      19.345 -34.059  -3.320  1.00 16.43           O  \\nATOM    709  CB  PRO A  86      22.178 -35.800  -3.746  1.00 15.18           C  \\nATOM    710  CG  PRO A  86      23.555 -35.276  -3.923  1.00 17.57           C  \\nATOM    711  CD  PRO A  86      23.593 -34.585  -5.289  1.00 14.59           C  \\nATOM    712  N   VAL A  87      21.162 -32.734  -3.333  1.00 12.97           N  \\nATOM    713  CA  VAL A  87      20.538 -31.742  -2.481  1.00 11.84           C  \\nATOM    714  C   VAL A  87      19.384 -31.031  -3.215  1.00 10.58           C  \\nATOM    715  O   VAL A  87      18.285 -30.956  -2.712  1.00 11.03           O  \\nATOM    716  CB  VAL A  87      21.580 -30.741  -1.902  1.00 10.54           C  \\nATOM    717  CG1 VAL A  87      20.855 -29.791  -0.991  1.00  9.28           C  \\nATOM    718  CG2 VAL A  87      22.690 -31.532  -1.118  1.00  8.89           C  \\nATOM    719  N   TYR A  88      19.657 -30.592  -4.441  1.00 11.45           N  \\nATOM    720  CA  TYR A  88      18.735 -29.889  -5.249  1.00 11.18           C  \\nATOM    721  C   TYR A  88      17.515 -30.773  -5.493  1.00 10.20           C  \\nATOM    722  O   TYR A  88      16.374 -30.335  -5.311  1.00 11.44           O  \\nATOM    723  CB  TYR A  88      19.432 -29.606  -6.576  1.00 12.02           C  \\nATOM    724  CG  TYR A  88      18.583 -28.932  -7.610  1.00 13.71           C  \\nATOM    725  CD1 TYR A  88      18.417 -27.497  -7.637  1.00 14.57           C  \\nATOM    726  CD2 TYR A  88      17.953 -29.679  -8.563  1.00 18.15           C  \\nATOM    727  CE1 TYR A  88      17.638 -26.906  -8.601  1.00 14.02           C  \\nATOM    728  CE2 TYR A  88      17.170 -29.092  -9.528  1.00 16.88           C  \\nATOM    729  CZ  TYR A  88      17.019 -27.705  -9.560  1.00 18.17           C  \\nATOM    730  OH  TYR A  88      16.204 -27.127 -10.551  1.00 19.79           O  \\nATOM    731  N   ASP A  89      17.776 -32.049  -5.774  1.00 10.74           N  \\nATOM    732  CA  ASP A  89      16.674 -33.006  -6.065  1.00 12.94           C  \\nATOM    733  C   ASP A  89      15.829 -33.304  -4.823  1.00 12.44           C  \\nATOM    734  O   ASP A  89      14.621 -33.549  -4.925  1.00 13.04           O  \\nATOM    735  CB  ASP A  89      17.194 -34.257  -6.743  1.00 13.12           C  \\nATOM    736  CG  ASP A  89      17.303 -34.074  -8.236  1.00 13.91           C  \\nATOM    737  OD1 ASP A  89      16.892 -33.042  -8.766  1.00 15.52           O  \\nATOM    738  OD2 ASP A  89      17.756 -34.978  -8.898  1.00 21.38           O  \\nATOM    739  N   SER A  90      16.409 -33.106  -3.638  1.00 11.72           N  \\nATOM    740  CA  SER A  90      15.660 -33.220  -2.405  1.00 10.95           C  \\nATOM    741  C   SER A  90      14.740 -32.080  -2.107  1.00 10.69           C  \\nATOM    742  O   SER A  90      13.852 -32.248  -1.280  1.00 12.25           O  \\nATOM    743  CB  SER A  90      16.581 -33.479  -1.198  1.00 12.41           C  \\nATOM    744  OG  SER A  90      17.194 -32.313  -0.763  1.00 11.47           O  \\nATOM    745  N   LEU A  91      14.952 -30.915  -2.737  1.00  9.12           N  \\nATOM    746  CA  LEU A  91      14.219 -29.656  -2.481  1.00 10.06           C  \\nATOM    747  C   LEU A  91      12.899 -29.664  -3.226  1.00 11.73           C  \\nATOM    748  O   LEU A  91      12.775 -30.329  -4.247  1.00 12.75           O  \\nATOM    749  CB  LEU A  91      15.033 -28.380  -2.897  1.00  9.72           C  \\nATOM    750  CG  LEU A  91      16.397 -28.299  -2.172  1.00 10.30           C  \\nATOM    751  CD1 LEU A  91      17.225 -27.138  -2.620  1.00  9.12           C  \\nATOM    752  CD2 LEU A  91      16.127 -28.114  -0.655  1.00  7.71           C  \\nATOM    753  N   ASP A  92      11.901 -29.001  -2.645  1.00  9.35           N  \\nATOM    754  CA  ASP A  92      10.708 -28.583  -3.358  1.00 10.21           C  \\nATOM    755  C   ASP A  92      11.087 -27.496  -4.376  1.00 10.92           C  \\nATOM    756  O   ASP A  92      12.196 -26.961  -4.323  1.00  8.42           O  \\nATOM    757  CB  ASP A  92       9.779 -27.935  -2.344  1.00  9.21           C  \\nATOM    758  CG  ASP A  92      10.462 -26.795  -1.590  1.00 11.69           C  \\nATOM    759  OD1 ASP A  92      10.324 -25.664  -2.069  1.00 11.88           O  \\nATOM    760  OD2 ASP A  92      11.169 -27.048  -0.563  1.00  8.60           O  \\nATOM    761  N   ALA A  93      10.135 -27.105  -5.210  1.00 11.76           N  \\nATOM    762  CA  ALA A  93      10.459 -26.266  -6.361  1.00 11.76           C  \\nATOM    763  C   ALA A  93      10.819 -24.799  -5.973  1.00 12.10           C  \\nATOM    764  O   ALA A  93      11.607 -24.135  -6.660  1.00 13.45           O  \\nATOM    765  CB  ALA A  93       9.300 -26.308  -7.353  1.00 12.18           C  \\nATOM    766  N   VAL A  94      10.265 -24.324  -4.887  1.00 10.43           N  \\nATOM    767  CA  VAL A  94      10.563 -22.938  -4.494  1.00 10.59           C  \\nATOM    768  C   VAL A  94      12.014 -22.930  -3.997  1.00 11.05           C  \\nATOM    769  O   VAL A  94      12.808 -22.118  -4.468  1.00 10.69           O  \\nATOM    770  CB  VAL A  94       9.579 -22.389  -3.465  1.00 10.05           C  \\nATOM    771  CG1 VAL A  94       9.988 -20.922  -3.089  1.00 11.85           C  \\nATOM    772  CG2 VAL A  94       8.204 -22.392  -4.010  1.00 12.61           C  \\nATOM    773  N   ARG A  95      12.371 -23.875  -3.110  1.00  8.92           N  \\nATOM    774  CA  ARG A  95      13.760 -23.926  -2.600  1.00  9.62           C  \\nATOM    775  C   ARG A  95      14.742 -24.247  -3.756  1.00  9.72           C  \\nATOM    776  O   ARG A  95      15.857 -23.756  -3.748  1.00  8.79           O  \\nATOM    777  CB  ARG A  95      13.836 -24.966  -1.488  1.00 11.89           C  \\nATOM    778  CG  ARG A  95      13.277 -24.382  -0.244  1.00 10.80           C  \\nATOM    779  CD  ARG A  95      13.419 -25.320   0.867  1.00 11.93           C  \\nATOM    780  NE  ARG A  95      12.876 -24.781   2.106  1.00 11.55           N  \\nATOM    781  CZ  ARG A  95      11.655 -25.119   2.579  1.00 11.32           C  \\nATOM    782  NH1 ARG A  95      10.848 -25.885   1.879  1.00 12.81           N  \\nATOM    783  NH2 ARG A  95      11.211 -24.679   3.739  1.00 11.15           N  \\nATOM    784  N   ARG A  96      14.345 -25.065  -4.745  1.00  9.12           N  \\nATOM    785  CA AARG A  96      15.185 -25.273  -5.950  0.50  8.63           C  \\nATOM    786  CA BARG A  96      15.176 -25.279  -5.959  0.50  8.79           C  \\nATOM    787  C   ARG A  96      15.495 -23.932  -6.656  1.00  7.08           C  \\nATOM    788  O   ARG A  96      16.568 -23.755  -7.190  1.00  8.19           O  \\nATOM    789  CB AARG A  96      14.515 -26.228  -6.922  0.50  8.23           C  \\nATOM    790  CB BARG A  96      14.503 -26.246  -6.932  0.50  8.34           C  \\nATOM    791  CG AARG A  96      14.768 -27.705  -6.629  0.50  9.50           C  \\nATOM    792  CG BARG A  96      14.639 -27.724  -6.525  0.50 10.32           C  \\nATOM    793  CD AARG A  96      13.742 -28.551  -7.424  0.50 10.51           C  \\nATOM    794  CD BARG A  96      14.291 -28.742  -7.662  0.50  9.14           C  \\nATOM    795  NE AARG A  96      13.699 -29.939  -6.952  0.50  6.20           N  \\nATOM    796  NE BARG A  96      13.056 -28.510  -8.408  0.50  9.17           N  \\nATOM    797  CZ AARG A  96      13.153 -30.933  -7.645  0.50  6.83           C  \\nATOM    798  CZ BARG A  96      11.821 -28.918  -8.093  0.50 11.58           C  \\nATOM    799  NH1AARG A  96      12.587 -30.642  -8.813  0.50  8.36           N  \\nATOM    800  NH1BARG A  96      11.577 -29.569  -6.966  0.50 10.45           N  \\nATOM    801  NH2AARG A  96      13.157 -32.198  -7.165  0.50  5.25           N  \\nATOM    802  NH2BARG A  96      10.794 -28.646  -8.925  0.50 11.70           N  \\nATOM    803  N   CYS A  97      14.542 -22.988  -6.653  1.00  8.69           N  \\nATOM    804  CA  CYS A  97      14.791 -21.653  -7.256  1.00  8.03           C  \\nATOM    805  C   CYS A  97      15.864 -20.875  -6.507  1.00  8.90           C  \\nATOM    806  O   CYS A  97      16.715 -20.228  -7.101  1.00 10.59           O  \\nATOM    807  CB  CYS A  97      13.521 -20.831  -7.294  1.00  7.91           C  \\nATOM    808  SG  CYS A  97      12.333 -21.430  -8.509  1.00 12.20           S  \\nATOM    809  N   ALA A  98      15.833 -21.000  -5.191  1.00  9.06           N  \\nATOM    810  CA  ALA A  98      16.902 -20.479  -4.327  1.00  8.80           C  \\nATOM    811  C   ALA A  98      18.283 -21.031  -4.676  1.00  8.73           C  \\nATOM    812  O   ALA A  98      19.300 -20.264  -4.795  1.00 10.13           O  \\nATOM    813  CB  ALA A  98      16.518 -20.760  -2.798  1.00  5.17           C  \\nATOM    814  N   ALA A  99      18.337 -22.353  -4.875  1.00  8.14           N  \\nATOM    815  CA  ALA A  99      19.545 -22.977  -5.293  1.00  9.46           C  \\nATOM    816  C   ALA A  99      20.063 -22.509  -6.628  1.00  8.72           C  \\nATOM    817  O   ALA A  99      21.288 -22.348  -6.795  1.00  9.14           O  \\nATOM    818  CB  ALA A  99      19.425 -24.530  -5.246  1.00  7.90           C  \\nATOM    819  N   ILE A 100      19.163 -22.333  -7.599  1.00 10.00           N  \\nATOM    820  CA  ILE A 100      19.533 -21.873  -8.925  1.00 11.25           C  \\nATOM    821  C   ILE A 100      20.058 -20.454  -8.854  1.00 10.47           C  \\nATOM    822  O   ILE A 100      21.064 -20.119  -9.507  1.00 10.91           O  \\nATOM    823  CB  ILE A 100      18.330 -21.935  -9.943  1.00 11.12           C  \\nATOM    824  CG1 ILE A 100      17.993 -23.392 -10.240  1.00 11.84           C  \\nATOM    825  CG2 ILE A 100      18.754 -21.252 -11.335  1.00 12.33           C  \\nATOM    826  CD1 ILE A 100      16.597 -23.601 -10.710  1.00 10.89           C  \\nATOM    827  N   ASN A 101      19.396 -19.643  -8.053  1.00  9.60           N  \\nATOM    828  CA  ASN A 101      19.780 -18.251  -7.858  1.00  9.45           C  \\nATOM    829  C   ASN A 101      21.190 -18.228  -7.300  1.00  9.85           C  \\nATOM    830  O   ASN A 101      22.059 -17.570  -7.844  1.00  7.36           O  \\nATOM    831  CB  ASN A 101      18.757 -17.616  -6.863  1.00  9.79           C  \\nATOM    832  CG  ASN A 101      18.899 -16.124  -6.756  1.00 11.86           C  \\nATOM    833  OD1 ASN A 101      20.001 -15.604  -6.532  1.00  8.31           O  \\nATOM    834  ND2 ASN A 101      17.803 -15.423  -6.923  1.00  8.50           N  \\nATOM    835  N   GLN A 102      21.432 -18.962  -6.208  1.00 10.12           N  \\nATOM    836  CA AGLN A 102      22.773 -19.016  -5.648  0.50 10.25           C  \\nATOM    837  CA BGLN A 102      22.780 -19.057  -5.640  0.50 10.50           C  \\nATOM    838  C   GLN A 102      23.869 -19.402  -6.676  1.00 11.18           C  \\nATOM    839  O   GLN A 102      24.889 -18.719  -6.760  1.00 10.66           O  \\nATOM    840  CB AGLN A 102      22.835 -19.912  -4.426  0.50 10.09           C  \\nATOM    841  CB BGLN A 102      22.815 -20.067  -4.510  0.50 10.33           C  \\nATOM    842  CG AGLN A 102      23.964 -19.497  -3.556  0.50  7.11           C  \\nATOM    843  CG BGLN A 102      22.822 -19.432  -3.151  0.50  9.08           C  \\nATOM    844  CD AGLN A 102      24.309 -20.473  -2.472  0.50  6.99           C  \\nATOM    845  CD BGLN A 102      23.305 -20.387  -2.078  0.50  7.94           C  \\nATOM    846  OE1AGLN A 102      24.096 -21.672  -2.600  0.50 12.92           O  \\nATOM    847  OE1BGLN A 102      22.987 -21.565  -2.092  0.50 16.10           O  \\nATOM    848  NE2AGLN A 102      24.931 -19.974  -1.427  0.50  7.77           N  \\nATOM    849  NE2BGLN A 102      24.063 -19.892  -1.164  0.50 10.57           N  \\nATOM    850  N   VAL A 103      23.649 -20.480  -7.431  1.00 10.87           N  \\nATOM    851  CA  VAL A 103      24.582 -20.956  -8.454  1.00 12.09           C  \\nATOM    852  C   VAL A 103      24.760 -19.919  -9.574  1.00 13.15           C  \\nATOM    853  O   VAL A 103      25.904 -19.673  -9.954  1.00 15.38           O  \\nATOM    854  CB  VAL A 103      24.236 -22.345  -8.974  1.00 13.34           C  \\nATOM    855  CG1 VAL A 103      25.129 -22.758 -10.142  1.00 14.34           C  \\nATOM    856  CG2 VAL A 103      24.491 -23.354  -7.840  1.00 11.72           C  \\nATOM    857  N   PHE A 104      23.663 -19.274 -10.027  1.00 12.45           N  \\nATOM    858  CA  PHE A 104      23.679 -18.145 -10.975  1.00 10.68           C  \\nATOM    859  C   PHE A 104      24.623 -17.044 -10.501  1.00 12.64           C  \\nATOM    860  O   PHE A 104      25.468 -16.555 -11.272  1.00 11.51           O  \\nATOM    861  CB  PHE A 104      22.257 -17.576 -11.180  1.00 11.00           C  \\nATOM    862  CG  PHE A 104      22.122 -16.652 -12.320  1.00  8.36           C  \\nATOM    863  CD1 PHE A 104      21.583 -17.092 -13.538  1.00 11.61           C  \\nATOM    864  CD2 PHE A 104      22.466 -15.320 -12.194  1.00  8.67           C  \\nATOM    865  CE1 PHE A 104      21.421 -16.175 -14.612  1.00  9.36           C  \\nATOM    866  CE2 PHE A 104      22.340 -14.431 -13.254  1.00 13.27           C  \\nATOM    867  CZ  PHE A 104      21.822 -14.865 -14.465  1.00 13.38           C  \\nATOM    868  N   GLN A 105      24.502 -16.649  -9.236  1.00 12.72           N  \\nATOM    869  CA  GLN A 105      25.319 -15.563  -8.728  1.00 15.86           C  \\nATOM    870  C   GLN A 105      26.751 -16.004  -8.510  1.00 17.35           C  \\nATOM    871  O   GLN A 105      27.691 -15.248  -8.830  1.00 17.48           O  \\nATOM    872  CB  GLN A 105      24.745 -15.058  -7.405  1.00 15.76           C  \\nATOM    873  CG  GLN A 105      25.578 -13.964  -6.774  1.00 14.27           C  \\nATOM    874  CD  GLN A 105      24.990 -13.465  -5.475  1.00 13.91           C  \\nATOM    875  OE1 GLN A 105      24.073 -14.069  -4.896  1.00 12.77           O  \\nATOM    876  NE2 GLN A 105      25.583 -12.422  -4.952  1.00 12.88           N  \\nATOM    877  N   MET A 106      26.911 -17.182  -7.927  1.00 16.86           N  \\nATOM    878  CA  MET A 106      28.168 -17.555  -7.304  1.00 19.93           C  \\nATOM    879  C   MET A 106      28.992 -18.528  -8.154  1.00 20.32           C  \\nATOM    880  O   MET A 106      30.235 -18.672  -7.947  1.00 19.35           O  \\nATOM    881  CB  MET A 106      27.924 -18.205  -5.934  1.00 18.60           C  \\nATOM    882  CG  MET A 106      27.386 -17.295  -4.850  1.00 21.31           C  \\nATOM    883  SD  MET A 106      27.471 -18.195  -3.241  1.00 24.31           S  \\nATOM    884  CE  MET A 106      29.254 -18.219  -3.077  1.00 21.71           C  \\nATOM    885  N   GLY A 107      28.305 -19.212  -9.072  1.00 19.11           N  \\nATOM    886  CA  GLY A 107      28.899 -20.293  -9.766  1.00 21.79           C  \\nATOM    887  C   GLY A 107      28.906 -21.551  -8.895  1.00 24.35           C  \\nATOM    888  O   GLY A 107      28.893 -21.551  -7.636  1.00 24.08           O  \\nATOM    889  N   GLU A 108      28.923 -22.661  -9.585  1.00 26.03           N  \\nATOM    890  CA  GLU A 108      28.804 -23.952  -8.941  1.00 27.70           C  \\nATOM    891  C   GLU A 108      30.069 -24.412  -8.154  1.00 28.39           C  \\nATOM    892  O   GLU A 108      29.948 -25.152  -7.168  1.00 30.18           O  \\nATOM    893  CB  GLU A 108      28.274 -24.891 -10.014  1.00 28.40           C  \\nATOM    894  CG  GLU A 108      28.614 -26.283  -9.905  1.00 30.02           C  \\nATOM    895  CD  GLU A 108      28.600 -26.900 -11.263  1.00 32.60           C  \\nATOM    896  OE1 GLU A 108      27.873 -26.389 -12.154  1.00 29.69           O  \\nATOM    897  OE2 GLU A 108      29.348 -27.896 -11.440  1.00 38.04           O  \\nATOM    898  N   THR A 109      31.250 -23.886  -8.486  0.50 27.47           N  \\nATOM    899  CA  THR A 109      32.414 -23.973  -7.598  0.50 26.96           C  \\nATOM    900  C   THR A 109      32.076 -23.316  -6.277  0.50 27.19           C  \\nATOM    901  O   THR A 109      32.057 -23.938  -5.197  0.50 26.88           O  \\nATOM    902  CB  THR A 109      33.597 -23.192  -8.190  0.50 26.80           C  \\nATOM    903  OG1 THR A 109      34.004 -23.821  -9.398  0.50 25.74           O  \\nATOM    904  CG2 THR A 109      34.768 -23.122  -7.219  0.50 26.77           C  \\nATOM    905  N   GLY A 110      31.829 -22.023  -6.405  1.00 27.36           N  \\nATOM    906  CA  GLY A 110      31.351 -21.143  -5.339  1.00 27.49           C  \\nATOM    907  C   GLY A 110      30.484 -21.680  -4.232  1.00 26.84           C  \\nATOM    908  O   GLY A 110      30.497 -21.143  -3.107  0.50 26.84           O  \\nATOM    909  N   VAL A 111      29.723 -22.732  -4.522  1.00 26.45           N  \\nATOM    910  CA  VAL A 111      28.772 -23.259  -3.532  1.00 26.47           C  \\nATOM    911  C   VAL A 111      28.878 -24.772  -3.281  1.00 25.98           C  \\nATOM    912  O   VAL A 111      28.406 -25.246  -2.229  1.00 26.31           O  \\nATOM    913  CB  VAL A 111      27.296 -22.956  -3.901  1.00 26.12           C  \\nATOM    914  CG1 VAL A 111      27.140 -21.547  -4.341  1.00 27.99           C  \\nATOM    915  CG2 VAL A 111      26.880 -23.853  -5.024  1.00 28.79           C  \\nATOM    916  N   ALA A 112      29.420 -25.534  -4.240  0.50 23.07           N  \\nATOM    917  CA  ALA A 112      29.546 -26.957  -4.037  0.50 21.62           C  \\nATOM    918  C   ALA A 112      30.355 -27.117  -2.781  0.50 20.44           C  \\nATOM    919  O   ALA A 112      30.278 -28.151  -2.113  0.50 19.71           O  \\nATOM    920  CB  ALA A 112      30.236 -27.620  -5.226  0.50 20.80           C  \\nATOM    921  N   GLY A 113      31.132 -26.077  -2.463  0.50 20.03           N  \\nATOM    922  CA  GLY A 113      31.970 -26.087  -1.267  0.50 20.03           C  \\nATOM    923  C   GLY A 113      31.194 -25.989   0.020  0.50 20.96           C  \\nATOM    924  O   GLY A 113      31.684 -26.463   1.023  0.50 21.46           O  \\nATOM    925  N   PHE A 114      29.986 -25.378  -0.004  0.50 21.11           N  \\nATOM    926  CA  PHE A 114      29.126 -25.087   1.195  1.00 20.65           C  \\nATOM    927  C   PHE A 114      28.571 -26.368   1.851  1.00 20.80           C  \\nATOM    928  O   PHE A 114      27.332 -26.502   2.086  1.00 20.43           O  \\nATOM    929  CB  PHE A 114      27.883 -24.332   0.771  1.00 20.55           C  \\nATOM    930  CG  PHE A 114      28.052 -22.879   0.652  1.00 21.45           C  \\nATOM    931  CD1 PHE A 114      29.220 -22.324   0.121  1.00 22.63           C  \\nATOM    932  CD2 PHE A 114      27.034 -22.035   1.068  1.00 21.02           C  \\nATOM    933  CE1 PHE A 114      29.361 -20.954  -0.006  1.00 22.30           C  \\nATOM    934  CE2 PHE A 114      27.166 -20.649   0.963  1.00 21.56           C  \\nATOM    935  CZ  PHE A 114      28.325 -20.124   0.398  1.00 17.62           C  \\nATOM    936  N   THR A 115      29.475 -27.271   2.169  1.00 20.48           N  \\nATOM    937  CA  THR A 115      29.179 -28.577   2.662  1.00 20.41           C  \\nATOM    938  C   THR A 115      28.165 -28.563   3.794  1.00 20.50           C  \\nATOM    939  O   THR A 115      27.201 -29.262   3.708  1.00 20.84           O  \\nATOM    940  CB  THR A 115      30.501 -29.245   3.078  1.00 20.89           C  \\nATOM    941  OG1 THR A 115      31.424 -29.087   1.987  1.00 23.33           O  \\nATOM    942  CG2 THR A 115      30.335 -30.728   3.347  1.00 18.66           C  \\nATOM    943  N   ASN A 116      28.371 -27.746   4.839  1.00 18.21           N  \\nATOM    944  CA  ASN A 116      27.469 -27.822   5.988  1.00 17.50           C  \\nATOM    945  C   ASN A 116      26.065 -27.346   5.652  1.00 13.78           C  \\nATOM    946  O   ASN A 116      25.105 -27.922   6.095  1.00 13.64           O  \\nATOM    947  CB  ASN A 116      28.106 -27.124   7.250  1.00 17.58           C  \\nATOM    948  CG  ASN A 116      29.504 -27.696   7.556  1.00 24.31           C  \\nATOM    949  OD1 ASN A 116      29.717 -28.907   7.411  1.00 29.56           O  \\nATOM    950  ND2 ASN A 116      30.470 -26.841   7.880  1.00 20.62           N  \\nATOM    951  N   SER A 117      25.952 -26.296   4.848  1.00 14.67           N  \\nATOM    952  CA  SER A 117      24.664 -25.789   4.444  1.00 12.70           C  \\nATOM    953  C   SER A 117      23.935 -26.835   3.589  1.00 13.95           C  \\nATOM    954  O   SER A 117      22.726 -26.999   3.751  1.00 11.13           O  \\nATOM    955  CB  SER A 117      24.749 -24.492   3.610  1.00 13.93           C  \\nATOM    956  OG  SER A 117      24.987 -23.395   4.421  1.00 16.91           O  \\nATOM    957  N   LEU A 118      24.680 -27.490   2.672  1.00 12.01           N  \\nATOM    958  CA  LEU A 118      24.140 -28.552   1.825  1.00 11.90           C  \\nATOM    959  C   LEU A 118      23.588 -29.687   2.682  1.00 12.14           C  \\nATOM    960  O   LEU A 118      22.451 -30.094   2.500  1.00 13.71           O  \\nATOM    961  CB  LEU A 118      25.203 -29.056   0.878  1.00 13.88           C  \\nATOM    962  CG  LEU A 118      25.595 -28.144  -0.309  1.00 12.09           C  \\nATOM    963  CD1 LEU A 118      26.960 -28.688  -0.910  1.00 13.87           C  \\nATOM    964  CD2 LEU A 118      24.462 -28.057  -1.353  1.00 16.87           C  \\nATOM    965  N   ARG A 119      24.386 -30.183   3.633  1.00 11.98           N  \\nATOM    966  CA  ARG A 119      23.886 -31.245   4.515  1.00 11.24           C  \\nATOM    967  C   ARG A 119      22.593 -30.742   5.202  1.00 11.22           C  \\nATOM    968  O   ARG A 119      21.570 -31.410   5.227  1.00  8.74           O  \\nATOM    969  CB  ARG A 119      24.954 -31.713   5.499  1.00 11.08           C  \\nATOM    970  CG  ARG A 119      24.600 -32.960   6.276  1.00 10.79           C  \\nATOM    971  CD  ARG A 119      25.527 -33.168   7.535  1.00 16.78           C  \\nATOM    972  NE  ARG A 119      25.625 -31.919   8.307  1.00 21.45           N  \\nATOM    973  CZ  ARG A 119      26.668 -31.083   8.324  1.00 29.04           C  \\nATOM    974  NH1 ARG A 119      26.543 -29.952   9.036  1.00 30.09           N  \\nATOM    975  NH2 ARG A 119      27.812 -31.376   7.662  1.00 25.65           N  \\nATOM    976  N   MET A 120      22.583 -29.522   5.725  1.00  9.62           N  \\nATOM    977  CA  MET A 120      21.418 -29.091   6.484  1.00 11.98           C  \\nATOM    978  C   MET A 120      20.134 -28.959   5.604  1.00 11.50           C  \\nATOM    979  O   MET A 120      19.002 -29.260   6.022  1.00  9.90           O  \\nATOM    980  CB  MET A 120      21.732 -27.796   7.222  1.00 11.41           C  \\nATOM    981  CG  MET A 120      22.750 -28.005   8.432  1.00 14.40           C  \\nATOM    982  SD  MET A 120      23.272 -26.344   8.882  1.00 16.62           S  \\nATOM    983  CE  MET A 120      24.670 -26.596   9.954  1.00 12.89           C  \\nATOM    984  N   LEU A 121      20.353 -28.505   4.371  1.00  8.95           N  \\nATOM    985  CA  LEU A 121      19.268 -28.354   3.446  1.00 10.95           C  \\nATOM    986  C   LEU A 121      18.731 -29.725   3.085  1.00  9.95           C  \\nATOM    987  O   LEU A 121      17.498 -29.930   3.091  1.00 10.79           O  \\nATOM    988  CB  LEU A 121      19.741 -27.609   2.202  1.00  9.04           C  \\nATOM    989  CG  LEU A 121      19.936 -26.112   2.375  1.00 11.90           C  \\nATOM    990  CD1 LEU A 121      20.679 -25.667   1.152  1.00 13.70           C  \\nATOM    991  CD2 LEU A 121      18.519 -25.356   2.591  1.00 11.27           C  \\nATOM    992  N   GLN A 122      19.663 -30.658   2.845  1.00 10.83           N  \\nATOM    993  CA  GLN A 122      19.257 -32.019   2.510  1.00 12.46           C  \\nATOM    994  C   GLN A 122      18.462 -32.615   3.648  1.00 12.54           C  \\nATOM    995  O   GLN A 122      17.474 -33.322   3.407  1.00 14.71           O  \\nATOM    996  CB  GLN A 122      20.407 -32.970   2.112  1.00 12.14           C  \\nATOM    997  CG  GLN A 122      19.742 -34.131   1.363  1.00 18.62           C  \\nATOM    998  CD  GLN A 122      20.606 -35.004   0.544  1.00 24.30           C  \\nATOM    999  OE1 GLN A 122      21.807 -34.819   0.482  1.00 27.12           O  \\nATOM   1000  NE2 GLN A 122      19.977 -36.021  -0.112  1.00 29.08           N  \\nATOM   1001  N   GLN A 123      18.911 -32.317   4.870  1.00 10.26           N  \\nATOM   1002  CA  GLN A 123      18.208 -32.763   6.077  1.00 12.09           C  \\nATOM   1003  C   GLN A 123      16.931 -32.015   6.330  1.00 10.49           C  \\nATOM   1004  O   GLN A 123      16.200 -32.435   7.234  1.00 10.22           O  \\nATOM   1005  CB  GLN A 123      19.106 -32.643   7.291  1.00 12.65           C  \\nATOM   1006  CG  GLN A 123      20.318 -33.565   7.214  1.00 14.54           C  \\nATOM   1007  CD  GLN A 123      21.269 -33.210   8.330  1.00 20.20           C  \\nATOM   1008  OE1 GLN A 123      21.588 -32.053   8.569  1.00 23.54           O  \\nATOM   1009  NE2 GLN A 123      21.653 -34.202   9.077  1.00 21.25           N  \\nATOM   1010  N   LYS A 124      16.695 -30.900   5.600  1.00  8.77           N  \\nATOM   1011  CA  LYS A 124      15.551 -30.031   5.775  1.00  9.57           C  \\nATOM   1012  C   LYS A 124      15.472 -29.396   7.157  1.00 10.32           C  \\nATOM   1013  O   LYS A 124      14.365 -29.133   7.691  1.00  8.99           O  \\nATOM   1014  CB  LYS A 124      14.224 -30.803   5.496  1.00 10.84           C  \\nATOM   1015  CG  LYS A 124      14.247 -31.517   4.127  1.00 10.03           C  \\nATOM   1016  CD  LYS A 124      12.790 -31.774   3.726  1.00 14.12           C  \\nATOM   1017  CE  LYS A 124      12.723 -32.564   2.425  1.00 13.03           C  \\nATOM   1018  NZ  LYS A 124      13.073 -31.565   1.389  1.00 11.75           N  \\nATOM   1019  N   ARG A 125      16.657 -29.170   7.740  1.00 11.02           N  \\nATOM   1020  CA  ARG A 125      16.816 -28.343   8.953  1.00 11.19           C  \\nATOM   1021  C   ARG A 125      16.901 -26.896   8.502  1.00 10.83           C  \\nATOM   1022  O   ARG A 125      17.994 -26.317   8.404  1.00  9.31           O  \\nATOM   1023  CB  ARG A 125      18.113 -28.762   9.609  1.00 11.56           C  \\nATOM   1024  CG  ARG A 125      18.068 -30.214  10.018  1.00 14.82           C  \\nATOM   1025  CD  ARG A 125      19.232 -30.566  10.788  1.00 17.30           C  \\nATOM   1026  NE  ARG A 125      18.951 -31.901  11.151  1.00 22.23           N  \\nATOM   1027  CZ  ARG A 125      19.706 -32.652  11.923  1.00 24.26           C  \\nATOM   1028  NH1 ARG A 125      20.837 -32.148  12.432  1.00 24.36           N  \\nATOM   1029  NH2 ARG A 125      19.320 -33.899  12.188  1.00 20.48           N  \\nATOM   1030  N   TRP A 126      15.746 -26.337   8.198  1.00 11.50           N  \\nATOM   1031  CA  TRP A 126      15.685 -25.119   7.433  1.00 11.31           C  \\nATOM   1032  C   TRP A 126      16.275 -23.953   8.184  1.00 10.57           C  \\nATOM   1033  O   TRP A 126      17.036 -23.165   7.611  1.00 10.01           O  \\nATOM   1034  CB  TRP A 126      14.257 -24.802   7.082  1.00 10.69           C  \\nATOM   1035  CG  TRP A 126      13.613 -25.871   6.252  1.00 10.97           C  \\nATOM   1036  CD1 TRP A 126      12.358 -26.454   6.493  1.00 10.96           C  \\nATOM   1037  CD2 TRP A 126      14.107 -26.481   5.039  1.00  8.18           C  \\nATOM   1038  NE1 TRP A 126      12.061 -27.350   5.497  1.00  7.24           N  \\nATOM   1039  CE2 TRP A 126      13.098 -27.377   4.586  1.00  7.76           C  \\nATOM   1040  CE3 TRP A 126      15.290 -26.325   4.258  1.00  8.21           C  \\nATOM   1041  CZ2 TRP A 126      13.245 -28.152   3.432  1.00  9.89           C  \\nATOM   1042  CZ3 TRP A 126      15.435 -27.102   3.119  1.00 11.23           C  \\nATOM   1043  CH2 TRP A 126      14.409 -28.011   2.710  1.00 12.37           C  \\nATOM   1044  N   ASP A 127      15.907 -23.826   9.446  1.00 10.56           N  \\nATOM   1045  CA  ASP A 127      16.403 -22.699  10.270  1.00 11.21           C  \\nATOM   1046  C   ASP A 127      17.898 -22.777  10.490  1.00 12.06           C  \\nATOM   1047  O   ASP A 127      18.585 -21.791  10.363  1.00 10.46           O  \\nATOM   1048  CB  ASP A 127      15.672 -22.650  11.597  1.00 11.48           C  \\nATOM   1049  CG  ASP A 127      14.328 -21.976  11.482  1.00 13.96           C  \\nATOM   1050  OD1 ASP A 127      13.703 -21.980  10.412  1.00 16.32           O  \\nATOM   1051  OD2 ASP A 127      13.868 -21.460  12.516  1.00 16.07           O  \\nATOM   1052  N   GLU A 128      18.406 -23.969  10.754  1.00 11.28           N  \\nATOM   1053  CA  GLU A 128      19.822 -24.183  10.852  1.00 10.84           C  \\nATOM   1054  C   GLU A 128      20.590 -23.895   9.551  1.00  9.95           C  \\nATOM   1055  O   GLU A 128      21.689 -23.278   9.605  1.00 10.56           O  \\nATOM   1056  CB  GLU A 128      20.059 -25.637  11.273  1.00 12.35           C  \\nATOM   1057  CG  GLU A 128      19.654 -25.892  12.743  1.00 14.29           C  \\nATOM   1058  CD  GLU A 128      19.518 -27.371  13.042  1.00 23.59           C  \\nATOM   1059  OE1 GLU A 128      20.571 -27.988  13.244  1.00 28.03           O  \\nATOM   1060  OE2 GLU A 128      18.393 -27.936  13.004  1.00 22.82           O  \\nATOM   1061  N   ALA A 129      20.059 -24.427   8.412  1.00  9.52           N  \\nATOM   1062  CA  ALA A 129      20.614 -24.150   7.121  1.00  8.08           C  \\nATOM   1063  C   ALA A 129      20.664 -22.660   6.960  1.00  9.66           C  \\nATOM   1064  O   ALA A 129      21.700 -22.135   6.548  1.00 10.47           O  \\nATOM   1065  CB  ALA A 129      19.752 -24.760   5.994  1.00  9.66           C  \\nATOM   1066  N   ALA A 130      19.540 -21.985   7.223  1.00  8.59           N  \\nATOM   1067  CA  ALA A 130      19.482 -20.501   7.031  1.00  9.27           C  \\nATOM   1068  C   ALA A 130      20.574 -19.751   7.877  1.00 11.55           C  \\nATOM   1069  O   ALA A 130      21.278 -18.835   7.360  1.00  9.06           O  \\nATOM   1070  CB  ALA A 130      18.069 -19.952   7.273  1.00 11.90           C  \\nATOM   1071  N   VAL A 131      20.722 -20.142   9.168  1.00  9.05           N  \\nATOM   1072  CA  VAL A 131      21.816 -19.616   9.977  1.00  9.62           C  \\nATOM   1073  C   VAL A 131      23.230 -19.906   9.329  1.00 10.40           C  \\nATOM   1074  O   VAL A 131      24.079 -18.998   9.194  1.00 11.43           O  \\nATOM   1075  CB  VAL A 131      21.717 -20.155  11.429  1.00  9.12           C  \\nATOM   1076  CG1 VAL A 131      23.013 -19.853  12.229  1.00  8.74           C  \\nATOM   1077  CG2 VAL A 131      20.483 -19.699  12.090  1.00  7.97           C  \\nATOM   1078  N   ASN A 132      23.468 -21.140   8.902  1.00  8.63           N  \\nATOM   1079  CA  ASN A 132      24.738 -21.475   8.298  1.00  9.35           C  \\nATOM   1080  C   ASN A 132      25.009 -20.676   6.989  1.00 10.31           C  \\nATOM   1081  O   ASN A 132      26.130 -20.183   6.752  1.00 11.19           O  \\nATOM   1082  CB  ASN A 132      24.859 -22.983   8.098  1.00 10.23           C  \\nATOM   1083  CG  ASN A 132      26.243 -23.402   7.634  1.00  9.00           C  \\nATOM   1084  OD1 ASN A 132      26.518 -23.466   6.454  1.00 10.71           O  \\nATOM   1085  ND2 ASN A 132      27.157 -23.579   8.585  1.00 12.84           N  \\nATOM   1086  N   LEU A 133      23.994 -20.536   6.159  1.00 10.56           N  \\nATOM   1087  CA  LEU A 133      24.183 -19.848   4.879  1.00 10.42           C  \\nATOM   1088  C   LEU A 133      24.692 -18.414   5.076  1.00 11.53           C  \\nATOM   1089  O   LEU A 133      25.361 -17.880   4.204  1.00  9.09           O  \\nATOM   1090  CB  LEU A 133      22.847 -19.880   4.082  1.00 12.47           C  \\nATOM   1091  CG  LEU A 133      22.511 -21.243   3.411  1.00 11.75           C  \\nATOM   1092  CD1 LEU A 133      21.076 -21.166   2.998  1.00 14.40           C  \\nATOM   1093  CD2 LEU A 133      23.509 -21.430   2.218  1.00 10.18           C  \\nATOM   1094  N   ALA A 134      24.244 -17.761   6.164  1.00  9.86           N  \\nATOM   1095  CA  ALA A 134      24.515 -16.342   6.376  1.00 11.13           C  \\nATOM   1096  C   ALA A 134      25.937 -16.135   6.860  1.00 10.53           C  \\nATOM   1097  O   ALA A 134      26.468 -15.019   6.763  1.00 13.61           O  \\nATOM   1098  CB  ALA A 134      23.540 -15.727   7.359  1.00  6.79           C  \\nATOM   1099  N   LYS A 135      26.521 -17.176   7.420  1.00 10.88           N  \\nATOM   1100  CA  LYS A 135      27.938 -17.210   7.824  1.00 12.29           C  \\nATOM   1101  C   LYS A 135      28.867 -17.317   6.622  1.00 10.63           C  \\nATOM   1102  O   LYS A 135      29.602 -18.282   6.499  1.00 11.00           O  \\nATOM   1103  CB  LYS A 135      28.212 -18.324   8.874  1.00 10.79           C  \\nATOM   1104  CG  LYS A 135      27.435 -18.174  10.139  1.00 12.16           C  \\nATOM   1105  CD  LYS A 135      27.536 -19.419  11.051  1.00 14.53           C  \\nATOM   1106  CE  LYS A 135      27.007 -19.193  12.427  0.50 14.32           C  \\nATOM   1107  NZ  LYS A 135      26.869 -20.512  13.183  0.50  7.91           N  \\nATOM   1108  N   SER A 136      28.856 -16.325   5.707  1.00  9.25           N  \\nATOM   1109  CA  SER A 136      29.565 -16.487   4.458  1.00  7.74           C  \\nATOM   1110  C   SER A 136      29.969 -15.082   3.896  1.00  8.32           C  \\nATOM   1111  O   SER A 136      29.318 -14.072   4.224  1.00  5.92           O  \\nATOM   1112  CB  SER A 136      28.638 -17.216   3.471  1.00  6.70           C  \\nATOM   1113  OG  SER A 136      27.458 -16.399   3.154  1.00  7.37           O  \\nATOM   1114  N   ARG A 137      31.044 -15.062   3.103  1.00  9.64           N  \\nATOM   1115  CA  ARG A 137      31.454 -13.895   2.335  1.00  9.18           C  \\nATOM   1116  C   ARG A 137      30.303 -13.518   1.444  1.00  9.66           C  \\nATOM   1117  O   ARG A 137      29.933 -12.374   1.386  1.00 10.57           O  \\nATOM   1118  CB  ARG A 137      32.711 -14.249   1.451  1.00  9.58           C  \\nATOM   1119  CG  ARG A 137      32.909 -13.118   0.439  1.00 13.45           C  \\nATOM   1120  CD  ARG A 137      34.044 -13.289  -0.494  1.00 19.25           C  \\nATOM   1121  NE  ARG A 137      34.397 -11.993  -1.080  1.00 21.02           N  \\nATOM   1122  CZ  ARG A 137      33.786 -11.405  -2.111  1.00 22.67           C  \\nATOM   1123  NH1 ARG A 137      32.706 -11.928  -2.706  1.00 20.47           N  \\nATOM   1124  NH2 ARG A 137      34.260 -10.228  -2.523  1.00 19.29           N  \\nATOM   1125  N   TRP A 138      29.623 -14.521   0.885  1.00 11.03           N  \\nATOM   1126  CA  TRP A 138      28.437 -14.316   0.098  1.00 11.24           C  \\nATOM   1127  C   TRP A 138      27.454 -13.347   0.764  1.00 11.55           C  \\nATOM   1128  O   TRP A 138      27.027 -12.314   0.188  1.00  9.89           O  \\nATOM   1129  CB  TRP A 138      27.744 -15.665  -0.146  1.00 10.91           C  \\nATOM   1130  CG  TRP A 138      26.395 -15.538  -0.873  1.00 12.27           C  \\nATOM   1131  CD1 TRP A 138      26.133 -14.884  -2.074  1.00 12.34           C  \\nATOM   1132  CD2 TRP A 138      25.152 -16.132  -0.462  1.00 12.34           C  \\nATOM   1133  NE1 TRP A 138      24.792 -15.025  -2.412  1.00 13.37           N  \\nATOM   1134  CE2 TRP A 138      24.172 -15.788  -1.447  1.00 11.66           C  \\nATOM   1135  CE3 TRP A 138      24.760 -16.870   0.682  1.00 12.11           C  \\nATOM   1136  CZ2 TRP A 138      22.839 -16.176  -1.361  1.00  8.21           C  \\nATOM   1137  CZ3 TRP A 138      23.431 -17.296   0.779  1.00 10.35           C  \\nATOM   1138  CH2 TRP A 138      22.456 -16.924  -0.247  1.00 14.47           C  \\nATOM   1139  N   TYR A 139      27.012 -13.737   1.949  1.00 11.34           N  \\nATOM   1140  CA  TYR A 139      26.026 -12.943   2.704  1.00 11.23           C  \\nATOM   1141  C   TYR A 139      26.575 -11.534   3.036  1.00  9.47           C  \\nATOM   1142  O   TYR A 139      25.897 -10.529   2.916  1.00 10.38           O  \\nATOM   1143  CB  TYR A 139      25.734 -13.665   4.018  1.00 12.01           C  \\nATOM   1144  CG  TYR A 139      24.693 -12.895   4.795  1.00 12.94           C  \\nATOM   1145  CD1 TYR A 139      23.352 -13.084   4.521  1.00 12.59           C  \\nATOM   1146  CD2 TYR A 139      25.067 -11.908   5.717  1.00 19.30           C  \\nATOM   1147  CE1 TYR A 139      22.350 -12.339   5.171  1.00 16.64           C  \\nATOM   1148  CE2 TYR A 139      24.090 -11.131   6.385  1.00 21.33           C  \\nATOM   1149  CZ  TYR A 139      22.735 -11.330   6.092  1.00 22.30           C  \\nATOM   1150  OH  TYR A 139      21.753 -10.556   6.754  1.00 24.45           O  \\nATOM   1151  N   ASN A 140      27.821 -11.472   3.470  1.00 10.13           N  \\nATOM   1152  CA  ASN A 140      28.380 -10.204   3.913  1.00  9.96           C  \\nATOM   1153  C   ASN A 140      28.594  -9.261   2.758  1.00  9.63           C  \\nATOM   1154  O   ASN A 140      28.414  -8.085   2.964  1.00 11.53           O  \\nATOM   1155  CB  ASN A 140      29.645 -10.332   4.669  1.00 11.45           C  \\nATOM   1156  CG  ASN A 140      29.432 -10.943   5.998  1.00 16.67           C  \\nATOM   1157  OD1 ASN A 140      29.744 -12.139   6.227  1.00 16.40           O  \\nATOM   1158  ND2 ASN A 140      28.909 -10.137   6.916  1.00 18.71           N  \\nATOM   1159  N   GLN A 141      28.875  -9.770   1.578  1.00  8.18           N  \\nATOM   1160  CA  GLN A 141      29.117  -8.909   0.408  1.00  9.37           C  \\nATOM   1161  C   GLN A 141      27.830  -8.437  -0.224  1.00  9.01           C  \\nATOM   1162  O   GLN A 141      27.732  -7.271  -0.722  1.00 10.59           O  \\nATOM   1163  CB  GLN A 141      30.005  -9.606  -0.625  1.00  9.35           C  \\nATOM   1164  CG  GLN A 141      31.492  -9.894  -0.173  1.00 13.96           C  \\nATOM   1165  CD  GLN A 141      32.188  -8.695   0.540  1.00 14.24           C  \\nATOM   1166  OE1 GLN A 141      32.719  -8.840   1.666  1.00 12.50           O  \\nATOM   1167  NE2 GLN A 141      32.211  -7.514  -0.159  1.00 14.10           N  \\nATOM   1168  N   THR A 142      26.849  -9.334  -0.296  1.00  7.29           N  \\nATOM   1169  CA  THR A 142      25.546  -8.991  -0.865  1.00  8.08           C  \\nATOM   1170  C   THR A 142      24.452  -9.380   0.129  1.00  8.74           C  \\nATOM   1171  O   THR A 142      23.703 -10.369  -0.122  1.00  8.55           O  \\nATOM   1172  CB  THR A 142      25.294  -9.708  -2.292  1.00  8.81           C  \\nATOM   1173  OG1 THR A 142      25.507 -11.144  -2.185  1.00 10.19           O  \\nATOM   1174  CG2 THR A 142      26.232  -9.107  -3.351  1.00  8.35           C  \\nATOM   1175  N   PRO A 143      24.377  -8.678   1.270  1.00 10.31           N  \\nATOM   1176  CA  PRO A 143      23.436  -9.139   2.315  1.00 10.69           C  \\nATOM   1177  C   PRO A 143      21.985  -9.007   1.926  1.00 11.77           C  \\nATOM   1178  O   PRO A 143      21.181  -9.846   2.330  1.00 13.01           O  \\nATOM   1179  CB  PRO A 143      23.788  -8.212   3.547  1.00 10.60           C  \\nATOM   1180  CG  PRO A 143      24.424  -7.016   2.957  1.00 12.90           C  \\nATOM   1181  CD  PRO A 143      25.164  -7.483   1.737  1.00  8.51           C  \\nATOM   1182  N   ASP A 144      21.612  -7.977   1.170  1.00  9.27           N  \\nATOM   1183  CA  ASP A 144      20.178  -7.796   0.924  1.00 10.93           C  \\nATOM   1184  C   ASP A 144      19.654  -8.950   0.028  1.00 10.02           C  \\nATOM   1185  O   ASP A 144      18.618  -9.573   0.307  1.00  6.13           O  \\nATOM   1186  CB  ASP A 144      19.906  -6.399   0.349  1.00 10.61           C  \\nATOM   1187  CG  ASP A 144      20.068  -5.269   1.463  1.00 12.99           C  \\nATOM   1188  OD1 ASP A 144      20.160  -5.566   2.651  1.00 19.65           O  \\nATOM   1189  OD2 ASP A 144      20.125  -4.131   1.116  1.00 20.27           O  \\nATOM   1190  N   ARG A 145      20.455  -9.241  -0.987  1.00  8.94           N  \\nATOM   1191  CA  ARG A 145      20.138 -10.336  -1.897  1.00 10.43           C  \\nATOM   1192  C   ARG A 145      20.211 -11.686  -1.194  1.00  9.22           C  \\nATOM   1193  O   ARG A 145      19.344 -12.520  -1.358  1.00  9.97           O  \\nATOM   1194  CB  ARG A 145      21.075 -10.344  -3.101  1.00 11.14           C  \\nATOM   1195  CG  ARG A 145      20.485 -11.315  -4.193  1.00 11.36           C  \\nATOM   1196  CD  ARG A 145      21.577 -11.846  -4.946  1.00 16.41           C  \\nATOM   1197  NE  ARG A 145      21.239 -12.817  -5.951  1.00 13.85           N  \\nATOM   1198  CZ  ARG A 145      21.814 -12.769  -7.147  1.00 14.83           C  \\nATOM   1199  NH1 ARG A 145      22.651 -11.764  -7.404  1.00 12.25           N  \\nATOM   1200  NH2 ARG A 145      21.533 -13.680  -8.075  1.00 10.86           N  \\nATOM   1201  N   ALA A 146      21.291 -11.919  -0.470  1.00 10.54           N  \\nATOM   1202  CA  ALA A 146      21.522 -13.175   0.219  1.00  8.75           C  \\nATOM   1203  C   ALA A 146      20.360 -13.395   1.244  1.00  9.60           C  \\nATOM   1204  O   ALA A 146      19.936 -14.521   1.446  1.00  9.60           O  \\nATOM   1205  CB  ALA A 146      22.907 -13.178   0.919  1.00 10.90           C  \\nATOM   1206  N   LYS A 147      19.917 -12.329   1.930  1.00  9.35           N  \\nATOM   1207  CA ALYS A 147      18.779 -12.380   2.883  0.50  9.70           C  \\nATOM   1208  CA BLYS A 147      18.806 -12.458   2.883  0.50  9.35           C  \\nATOM   1209  C   LYS A 147      17.519 -12.911   2.181  1.00  9.60           C  \\nATOM   1210  O   LYS A 147      16.809 -13.793   2.698  1.00  9.12           O  \\nATOM   1211  CB ALYS A 147      18.498 -10.981   3.453  0.50 10.21           C  \\nATOM   1212  CB BLYS A 147      18.603 -11.141   3.600  0.50  9.10           C  \\nATOM   1213  CG ALYS A 147      19.370 -10.521   4.638  0.50 11.22           C  \\nATOM   1214  CG BLYS A 147      17.454 -11.101   4.574  0.50  6.22           C  \\nATOM   1215  CD ALYS A 147      19.328  -8.952   4.874  0.50  8.64           C  \\nATOM   1216  CD BLYS A 147      17.268  -9.648   5.044  0.50  7.29           C  \\nATOM   1217  CE ALYS A 147      20.131  -8.574   6.141  0.50 13.87           C  \\nATOM   1218  CE BLYS A 147      18.370  -9.164   5.948  0.50  8.48           C  \\nATOM   1219  NZ ALYS A 147      19.929  -7.106   6.677  0.50 15.97           N  \\nATOM   1220  NZ BLYS A 147      17.931  -7.858   6.603  0.50 16.66           N  \\nATOM   1221  N   ARG A 148      17.234 -12.360   0.991  1.00  8.37           N  \\nATOM   1222  CA  ARG A 148      16.067 -12.838   0.171  1.00  8.61           C  \\nATOM   1223  C   ARG A 148      16.233 -14.314  -0.189  1.00  8.22           C  \\nATOM   1224  O   ARG A 148      15.310 -15.053  -0.090  1.00  7.25           O  \\nATOM   1225  CB  ARG A 148      15.944 -12.055  -1.149  1.00  9.76           C  \\nATOM   1226  CG  ARG A 148      15.473 -10.615  -0.941  1.00  9.47           C  \\nATOM   1227  CD  ARG A 148      14.955 -10.035  -2.231  1.00 11.55           C  \\nATOM   1228  NE  ARG A 148      16.083  -9.749  -3.139  1.00  9.12           N  \\nATOM   1229  CZ  ARG A 148      16.892  -8.676  -3.062  1.00 12.62           C  \\nATOM   1230  NH1 ARG A 148      16.699  -7.768  -2.117  1.00 11.46           N  \\nATOM   1231  NH2 ARG A 148      17.889  -8.526  -3.954  1.00  7.84           N  \\nATOM   1232  N   VAL A 149      17.429 -14.750  -0.595  1.00  9.31           N  \\nATOM   1233  CA  VAL A 149      17.599 -16.132  -1.123  1.00  7.43           C  \\nATOM   1234  C   VAL A 149      17.571 -17.102   0.084  1.00  9.63           C  \\nATOM   1235  O   VAL A 149      16.940 -18.198   0.029  1.00 10.27           O  \\nATOM   1236  CB  VAL A 149      18.979 -16.230  -1.786  1.00  8.60           C  \\nATOM   1237  CG1 VAL A 149      19.371 -17.719  -2.042  1.00  8.06           C  \\nATOM   1238  CG2 VAL A 149      18.972 -15.349  -3.090  1.00  7.73           C  \\nATOM   1239  N   ILE A 150      18.222 -16.666   1.177  1.00  9.83           N  \\nATOM   1240  CA  ILE A 150      18.142 -17.430   2.438  1.00 11.08           C  \\nATOM   1241  C   ILE A 150      16.717 -17.579   2.946  1.00 11.53           C  \\nATOM   1242  O   ILE A 150      16.341 -18.670   3.374  1.00 11.02           O  \\nATOM   1243  CB  ILE A 150      19.001 -16.834   3.572  1.00  9.45           C  \\nATOM   1244  CG1 ILE A 150      20.472 -17.088   3.243  1.00  9.95           C  \\nATOM   1245  CG2 ILE A 150      18.662 -17.599   4.911  1.00  7.97           C  \\nATOM   1246  CD1 ILE A 150      21.574 -16.163   4.027  1.00 11.27           C  \\nATOM   1247  N   THR A 151      15.922 -16.493   2.904  1.00 11.17           N  \\nATOM   1248  CA  THR A 151      14.541 -16.602   3.335  1.00 12.11           C  \\nATOM   1249  C   THR A 151      13.775 -17.631   2.473  1.00 12.25           C  \\nATOM   1250  O   THR A 151      12.927 -18.371   3.012  1.00 12.54           O  \\nATOM   1251  CB  THR A 151      13.820 -15.220   3.345  1.00 10.72           C  \\nATOM   1252  OG1 THR A 151      14.267 -14.471   4.478  1.00 13.62           O  \\nATOM   1253  CG2 THR A 151      12.318 -15.372   3.444  1.00 12.40           C  \\nATOM   1254  N   THR A 152      14.103 -17.685   1.177  1.00 11.02           N  \\nATOM   1255  CA  THR A 152      13.506 -18.620   0.217  1.00 11.59           C  \\nATOM   1256  C   THR A 152      13.851 -20.065   0.626  1.00 11.09           C  \\nATOM   1257  O   THR A 152      12.947 -20.915   0.681  1.00 11.15           O  \\nATOM   1258  CB  THR A 152      13.853 -18.286  -1.255  1.00  9.65           C  \\nATOM   1259  OG1 THR A 152      13.605 -16.884  -1.448  1.00 14.45           O  \\nATOM   1260  CG2 THR A 152      12.966 -19.074  -2.258  1.00 12.97           C  \\nATOM   1261  N   PHE A 153      15.141 -20.340   0.843  1.00 11.82           N  \\nATOM   1262  CA  PHE A 153      15.577 -21.606   1.457  1.00 11.41           C  \\nATOM   1263  C   PHE A 153      14.940 -21.933   2.811  1.00 12.38           C  \\nATOM   1264  O   PHE A 153      14.699 -23.136   3.120  1.00 15.74           O  \\nATOM   1265  CB  PHE A 153      17.093 -21.612   1.686  1.00  9.49           C  \\nATOM   1266  CG  PHE A 153      17.896 -21.945   0.481  1.00 10.80           C  \\nATOM   1267  CD1 PHE A 153      18.895 -21.077   0.047  1.00 10.33           C  \\nATOM   1268  CD2 PHE A 153      17.724 -23.180  -0.204  1.00 12.15           C  \\nATOM   1269  CE1 PHE A 153      19.701 -21.401  -1.129  1.00 12.42           C  \\nATOM   1270  CE2 PHE A 153      18.488 -23.533  -1.280  1.00 10.32           C  \\nATOM   1271  CZ  PHE A 153      19.528 -22.634  -1.772  1.00 11.42           C  \\nATOM   1272  N   ARG A 154      14.761 -20.930   3.673  1.00 12.17           N  \\nATOM   1273  CA AARG A 154      14.271 -21.230   5.013  0.50 12.64           C  \\nATOM   1274  CA BARG A 154      14.265 -21.155   5.019  0.50 12.11           C  \\nATOM   1275  C   ARG A 154      12.793 -21.588   4.990  1.00 11.62           C  \\nATOM   1276  O   ARG A 154      12.371 -22.461   5.725  1.00 11.54           O  \\nATOM   1277  CB AARG A 154      14.542 -20.110   6.040  0.50 12.03           C  \\nATOM   1278  CB BARG A 154      14.448 -19.882   5.864  0.50 11.14           C  \\nATOM   1279  CG AARG A 154      14.117 -20.513   7.498  0.50 12.79           C  \\nATOM   1280  CG BARG A 154      14.519 -20.121   7.388  0.50 12.64           C  \\nATOM   1281  CD AARG A 154      14.231 -19.378   8.534  0.50 13.25           C  \\nATOM   1282  CD BARG A 154      14.774 -18.832   8.189  0.50 10.89           C  \\nATOM   1283  NE AARG A 154      13.509 -18.163   8.171  0.50 14.10           N  \\nATOM   1284  NE BARG A 154      13.826 -17.758   7.886  0.50 13.71           N  \\nATOM   1285  CZ AARG A 154      12.194 -17.951   8.305  0.50 14.90           C  \\nATOM   1286  CZ BARG A 154      14.100 -16.680   7.145  0.50 13.45           C  \\nATOM   1287  NH1AARG A 154      11.388 -18.878   8.810  0.50 15.25           N  \\nATOM   1288  NH1BARG A 154      15.317 -16.513   6.641  0.50 14.29           N  \\nATOM   1289  NH2AARG A 154      11.679 -16.787   7.913  0.50 13.29           N  \\nATOM   1290  NH2BARG A 154      13.152 -15.754   6.927  0.50 14.08           N  \\nATOM   1291  N   THR A 155      12.024 -20.943   4.130  1.00 13.12           N  \\nATOM   1292  CA  THR A 155      10.549 -21.026   4.177  1.00 13.94           C  \\nATOM   1293  C   THR A 155       9.908 -21.788   3.051  1.00 14.32           C  \\nATOM   1294  O   THR A 155       8.759 -22.167   3.193  1.00 14.45           O  \\nATOM   1295  CB  THR A 155       9.926 -19.631   4.155  1.00 13.49           C  \\nATOM   1296  OG1 THR A 155      10.251 -19.012   2.897  1.00 15.46           O  \\nATOM   1297  CG2 THR A 155      10.442 -18.703   5.338  1.00 13.53           C  \\nATOM   1298  N   GLY A 156      10.633 -21.942   1.928  1.00 13.63           N  \\nATOM   1299  CA  GLY A 156      10.174 -22.488   0.706  1.00 11.64           C  \\nATOM   1300  C   GLY A 156       8.986 -21.701   0.179  1.00 11.69           C  \\nATOM   1301  O   GLY A 156       8.126 -22.272  -0.423  1.00 12.57           O  \\nATOM   1302  N   THR A 157       8.932 -20.389   0.508  1.00 10.85           N  \\nATOM   1303  CA  THR A 157       7.887 -19.474   0.069  1.00 11.02           C  \\nATOM   1304  C   THR A 157       8.547 -18.365  -0.713  1.00 10.31           C  \\nATOM   1305  O   THR A 157       9.768 -18.252  -0.731  1.00 10.58           O  \\nATOM   1306  CB  THR A 157       7.146 -18.727   1.212  1.00 11.05           C  \\nATOM   1307  OG1 THR A 157       8.033 -17.802   1.905  1.00 15.11           O  \\nATOM   1308  CG2 THR A 157       6.431 -19.683   2.169  1.00 11.04           C  \\nATOM   1309  N   TRP A 158       7.732 -17.524  -1.327  1.00 10.88           N  \\nATOM   1310  CA  TRP A 158       8.245 -16.440  -2.129  1.00 11.92           C  \\nATOM   1311  C   TRP A 158       8.123 -15.117  -1.329  1.00 11.55           C  \\nATOM   1312  O   TRP A 158       8.063 -14.022  -1.898  1.00 13.28           O  \\nATOM   1313  CB  TRP A 158       7.465 -16.359  -3.418  1.00 11.93           C  \\nATOM   1314  CG  TRP A 158       7.822 -17.470  -4.450  1.00 12.74           C  \\nATOM   1315  CD1 TRP A 158       6.994 -18.416  -4.898  1.00 13.77           C  \\nATOM   1316  CD2 TRP A 158       9.073 -17.655  -5.122  1.00 15.01           C  \\nATOM   1317  NE1 TRP A 158       7.622 -19.198  -5.820  1.00 14.08           N  \\nATOM   1318  CE2 TRP A 158       8.911 -18.751  -5.989  1.00 11.00           C  \\nATOM   1319  CE3 TRP A 158      10.330 -16.968  -5.102  1.00  8.15           C  \\nATOM   1320  CZ2 TRP A 158       9.950 -19.223  -6.823  1.00  9.81           C  \\nATOM   1321  CZ3 TRP A 158      11.341 -17.430  -5.941  1.00 10.77           C  \\nATOM   1322  CH2 TRP A 158      11.147 -18.560  -6.783  1.00 12.63           C  \\nATOM   1323  N   ASP A 159       8.038 -15.239  -0.012  1.00 11.99           N  \\nATOM   1324  CA  ASP A 159       7.758 -14.091   0.811  1.00 13.38           C  \\nATOM   1325  C   ASP A 159       8.791 -12.976   0.590  1.00 13.72           C  \\nATOM   1326  O   ASP A 159       8.420 -11.809   0.534  1.00 12.07           O  \\nATOM   1327  CB  ASP A 159       7.776 -14.531   2.270  1.00 14.76           C  \\nATOM   1328  CG  ASP A 159       6.512 -15.215   2.649  1.00 17.82           C  \\nATOM   1329  OD1 ASP A 159       5.653 -15.352   1.752  1.00 17.18           O  \\nATOM   1330  OD2 ASP A 159       6.407 -15.595   3.819  1.00 25.15           O  \\nATOM   1331  N   ALA A 160      10.058 -13.327   0.343  1.00 11.99           N  \\nATOM   1332  CA  ALA A 160      11.091 -12.278   0.261  1.00 11.80           C  \\nATOM   1333  C   ALA A 160      11.050 -11.555  -1.056  1.00 12.16           C  \\nATOM   1334  O   ALA A 160      11.750 -10.588  -1.236  1.00 11.65           O  \\nATOM   1335  CB  ALA A 160      12.506 -12.910   0.484  1.00 10.51           C  \\nATOM   1336  N   TYR A 161      10.216 -12.014  -2.004  1.00 14.08           N  \\nATOM   1337  CA  TYR A 161      10.175 -11.432  -3.346  1.00 14.80           C  \\nATOM   1338  C   TYR A 161       8.774 -10.867  -3.685  1.00 18.27           C  \\nATOM   1339  O   TYR A 161       8.596 -10.195  -4.714  1.00 18.91           O  \\nATOM   1340  CB  TYR A 161      10.570 -12.489  -4.414  1.00 14.76           C  \\nATOM   1341  CG  TYR A 161      12.018 -12.852  -4.385  1.00 12.49           C  \\nATOM   1342  CD1 TYR A 161      12.490 -13.904  -3.579  1.00 11.83           C  \\nATOM   1343  CD2 TYR A 161      12.928 -12.124  -5.112  1.00 10.82           C  \\nATOM   1344  CE1 TYR A 161      13.846 -14.213  -3.515  1.00 10.92           C  \\nATOM   1345  CE2 TYR A 161      14.310 -12.395  -5.068  1.00  8.48           C  \\nATOM   1346  CZ  TYR A 161      14.754 -13.457  -4.262  1.00 12.20           C  \\nATOM   1347  OH  TYR A 161      16.096 -13.759  -4.188  1.00 12.18           O  \\nATOM   1348  N   LYS A 162       7.786 -11.082  -2.826  0.50 18.90           N  \\nATOM   1349  CA  LYS A 162       6.443 -11.100  -3.371  0.50 19.75           C  \\nATOM   1350  C   LYS A 162       5.807  -9.773  -3.856  0.50 20.49           C  \\nATOM   1351  O   LYS A 162       5.003  -9.833  -4.775  0.50 20.39           O  \\nATOM   1352  CB  LYS A 162       5.494 -12.080  -2.646  0.50 19.69           C  \\nATOM   1353  CG  LYS A 162       5.382 -11.924  -1.136  0.50 20.78           C  \\nATOM   1354  CD  LYS A 162       4.505 -13.051  -0.566  0.50 19.81           C  \\nATOM   1355  CE  LYS A 162       3.705 -12.529   0.595  0.50 18.08           C  \\nATOM   1356  NZ  LYS A 162       2.689 -13.534   1.027  0.50 21.58           N  \\nATOM   1357  N   ASN A 163       6.166  -8.586  -3.355  0.50 21.64           N  \\nATOM   1358  CA  ASN A 163       6.996  -8.322  -2.203  0.50 23.15           C  \\nATOM   1359  C   ASN A 163       6.211  -7.397  -1.262  0.50 24.32           C  \\nATOM   1360  O   ASN A 163       6.241  -6.164  -1.395  0.50 24.66           O  \\nATOM   1361  CB  ASN A 163       8.345  -7.659  -2.590  0.50 24.09           C  \\nATOM   1362  CG  ASN A 163       8.264  -6.773  -3.876  0.50 24.52           C  \\nATOM   1363  OD1 ASN A 163       7.180  -6.439  -4.355  0.50 26.98           O  \\nATOM   1364  ND2 ASN A 163       9.430  -6.410  -4.423  0.50 24.01           N  \\nTER    1365      ASN A 163                                                       \\nEND\",\"pdb\");\n",
       "\tviewer_17198354767055447.setStyle({\"model\": 0},{\"cartoon\": {\"color\": \"white\"}});\n",
       "\tviewer_17198354767055447.addModel(\"HETATM    1  C4  JZ4 A 167      24.294 -24.124  -0.071  1.00 16.39           C  \\nHETATM    2  C7  JZ4 A 167      21.553 -27.214  -4.112  1.00 16.92           C  \\nHETATM    3  C8  JZ4 A 167      22.068 -26.747  -5.331  1.00 14.84           C  \\nHETATM    4  C9  JZ4 A 167      22.671 -25.512  -5.448  1.00 15.93           C  \\nHETATM    5  C10 JZ4 A 167      22.769 -24.730  -4.295  1.00 15.43           C  \\nHETATM    6  C11 JZ4 A 167      21.693 -26.459  -2.954  1.00 16.72           C  \\nHETATM    7  C12 JZ4 A 167      22.294 -25.187  -3.075  1.00 14.13           C  \\nHETATM    8  C13 JZ4 A 167      22.463 -24.414  -1.808  1.00 15.94           C  \\nHETATM    9  C14 JZ4 A 167      23.925 -24.704  -1.394  1.00 15.28           C  \\nHETATM   10  OAB JZ4 A 167      23.412 -23.536  -4.342  1.00 13.88           O  \\nCONECT    1    9\\nCONECT    2    3    3    6\\nCONECT    3    2    2    4\\nCONECT    4    3    5    5\\nCONECT    5    4    4    7   10\\nCONECT    6    2    7    7\\nCONECT    7    5    6    6    8\\nCONECT    8    7    9\\nCONECT    9    1    8\\nCONECT   10    5\\nEND\\n\");\n",
       "\tviewer_17198354767055447.setStyle({\"model\": 1},{\"stick\": {\"colorScheme\": \"greyCarbon\"}});\n",
       "\tviewer_17198354767055447.addBox({\"center\": {\"x\": 22.924, \"y\": -25.375, \"z\": -2.76}, \"dimensions\": {\"w\": 5.482, \"h\": 7.356, \"d\": 10.754}, \"color\": \"skyBlue\", \"opacity\": 0.6});\n",
       "\tviewer_17198354767055447.addLabel(\"center:   22.924,  -25.375,    -2.76\",{\"showBackground\": false, \"fontSize\": 14, \"fontColor\": \"0x000000\", \"useScreen\": true, \"screenOffset\": {\"x\": 15, \"y\": 0}});\n",
       "\tviewer_17198354767055447.addLabel(\"bxsize:    5.482,    7.356,   10.754\",{\"showBackground\": false, \"fontSize\": 14, \"fontColor\": \"0x000000\", \"useScreen\": true, \"screenOffset\": {\"x\": 15, \"y\": -20}});\n",
       "\tviewer_17198354767055447.setBackgroundColor(\"0xFFFFFF\");\n",
       "\tviewer_17198354767055447.setProjection(\"orthographic\");\n",
       "\tviewer_17198354767055447.zoomTo({\"model\": -1});\n",
       "viewer_17198354767055447.render();\n",
       "});\n",
       "</script>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "# @title **Place grid box at binding site**\n",
    "# @markdown Select **< Method >** to set grid box at the center of binding site.\n",
    "\n",
    "Residue_number = '' # @param {type: 'string'}\n",
    "Method = 'LaBOX' # @param ['LaBOX', 'eBoxSize', 'eBoxSize-Mod', 'Autodock-Grid', 'Defined-by-Res', 'Manual-Mode']\n",
    "Show_residues = True # @param {type: 'boolean'}\n",
    "\n",
    "# @markdown **Manual Mode**\n",
    "X = 0 # @param {type: 'number'}\n",
    "Y = 0 # @param {type: 'number'}\n",
    "Z = 0 # @param {type: 'number'}\n",
    "Width = 10 # @param {type: 'number'}\n",
    "Height = 10 # @param {type: 'number'}\n",
    "Depth = 10 # @param {type: 'number'}\n",
    "Scale = 1.0 # @param {type: 'number'}\n",
    "\n",
    "LBSP = LaboSpace(960, 640)\n",
    "LBSP_view = True\n",
    "\n",
    "try:\n",
    "    if Method == 'Defined-by-Res':\n",
    "        GB = GridBox(PROT_pdb_dFile)\n",
    "        center, bxsize = GB.defined_by_res(Residue_number)\n",
    "    if Method == 'Manual-Mode':\n",
    "        center = (X, Y, Z)\n",
    "        bxsize = (round(Width, 3),\n",
    "                  round(Height, 3),\n",
    "                  round(Depth, 3))\n",
    "except Exception as excp:\n",
    "    print(f'+ {excp}')\n",
    "    print(f'+ Error can be:\\n'\n",
    "           '  - Expected \\'Residue_number\\'; found \\'none\\'\\n'\n",
    "           '  - Expected \\'protein PDB file\\'; found \\'none\\'\\n'\n",
    "           '  - Due to atomic error in \\'protein PDB file\\'')\n",
    "    LBSP_view = False\n",
    "else:\n",
    "    LBSP.load_receptor(PROT_pdb_dFile)\\\n",
    "        .set_style(\n",
    "            show_represent=True,\n",
    "            represent_type='cartoon',\n",
    "            represent_style={'color': 'white'})\\\n",
    "        .add_residues(\n",
    "            show_residues=Show_residues,\n",
    "            residue_number=Residue_number)\n",
    "\n",
    "try:\n",
    "    if Method == 'LaBOX':\n",
    "        GB = GridBox(NTV_pdb_nFile)\n",
    "        center, bxsize = GB.labox()\n",
    "    if Method == 'eBoxSize':\n",
    "        GB = GridBox(NTV_pdb_nFile)\n",
    "        center, bxsize = GB.eboxsize()\n",
    "    if Method == 'eBoxSize-Mod':\n",
    "        GB = GridBox(NTV_pdb_nFile)\n",
    "        center, bxsize = GB.eboxsize(modified=True)\n",
    "    if Method == 'Autodock-Grid':\n",
    "        GB = GridBox(NTV_pdb_nFile)\n",
    "        center, bxsize = GB.autodock_grid()\n",
    "except Exception as excp:\n",
    "    print(f'+ {excp}')\n",
    "    print(f'+ Expected \\'native ligand PDB file\\'; found \\'none\\'')\n",
    "    print(f'+ Upload file to \\'{NTV_FLD}\\' and run \\'Select native ligand\\' cell to load it.')\n",
    "    LBSP_view = False\n",
    "else:\n",
    "    try:\n",
    "        LBSP.load_ligand(NTV_pdb_nFile)\\\n",
    "            .set_style(\n",
    "                show_represent=True,\n",
    "                represent_type='stick',\n",
    "                represent_style={'colorScheme': 'greyCarbon'})\n",
    "    except:\n",
    "        pass\n",
    "\n",
    "if LBSP_view:\n",
    "    LBSP.add_gridbox(show_gridbox=True, center=center, bxsize=bxsize)\n",
    "    LBSP.view_space()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "zD34rhfQrR4t",
    "outputId": "baea6cad-3250-4325-b5f2-1feb8f7fe837",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ config_file > DOCKING folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Generate docking config file**\n",
    "# @markdown This generates **`config_file`** for AutoDock Vina.\n",
    "\n",
    "cfg_name = 'config_file'\n",
    "cfg_dFile = os.path.join(DCK_FLD, cfg_name)\n",
    "\n",
    "with open(cfg_dFile, 'w') as cfg:\n",
    "    cfg.write(f'center_x = {center[0]}\\n')\n",
    "    cfg.write(f'center_y = {center[1]}\\n')\n",
    "    cfg.write(f'center_z = {center[2]}\\n')\n",
    "    cfg.write(f'\\n')\n",
    "    cfg.write(f'size_x = {bxsize[0]}\\n')\n",
    "    cfg.write(f'size_y = {bxsize[1]}\\n')\n",
    "    cfg.write(f'size_z = {bxsize[2]}\\n')\n",
    "\n",
    "print(f'+ {cfg_name} > DOCKING folder')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "oviol2hQtGZF",
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "---\n",
    "---\n",
    "# **06 | Performing Molecular Docking**\n",
    "\n",
    "We now proceed with performing molecular docking using Autodock Vina for our target ligand. The duration can vary, mainly influenced by factors including **number of rotatable bonds** and **level of exhaustiveness** selected. Do be patient as the process may take a few minutes to complete."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "prePleU-tEeK",
    "outputId": "9d669cd2-416e-4158-9d03-f0207c505315",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "AutoDock Vina v1.2.5\n",
      "#################################################################\n",
      "# If you used AutoDock Vina in your work, please cite:          #\n",
      "#                                                               #\n",
      "# J. Eberhardt, D. Santos-Martins, A. F. Tillack, and S. Forli  #\n",
      "# AutoDock Vina 1.2.0: New Docking Methods, Expanded Force      #\n",
      "# Field, and Python Bindings, J. Chem. Inf. Model. (2021)       #\n",
      "# DOI 10.1021/acs.jcim.1c00203                                  #\n",
      "#                                                               #\n",
      "# O. Trott, A. J. Olson,                                        #\n",
      "# AutoDock Vina: improving the speed and accuracy of docking    #\n",
      "# with a new scoring function, efficient optimization and       #\n",
      "# multithreading, J. Comp. Chem. (2010)                         #\n",
      "# DOI 10.1002/jcc.21334                                         #\n",
      "#                                                               #\n",
      "# Please see https://github.com/ccsb-scripps/AutoDock-Vina for  #\n",
      "# more information.                                             #\n",
      "#################################################################\n",
      "\n",
      "Scoring function : vina\n",
      "Rigid receptor: /home/jovyan/docking_folder/DOCKING/3HTB_prot_A.pdbqt\n",
      "Ligand: /home/jovyan/docking_folder/DOCKING/small/small.pdbqt\n",
      "Grid center: X 22.924 Y -25.375 Z -2.76\n",
      "Grid size  : X 5.482 Y 7.356 Z 10.754\n",
      "Grid space : 0.375\n",
      "Exhaustiveness: 4\n",
      "CPU: 72\n",
      "Verbosity: 2\n",
      "\n",
      "Computing Vina grid ... done.\n",
      "WARNING: At low exhaustiveness, it may be impossible to utilize all CPUs.\n",
      "Performing docking (random seed: 1472717467) ... \n",
      "0%   10   20   30   40   50   60   70   80   90   100%\n",
      "|----|----|----|----|----|----|----|----|----|----|\n",
      "***************************************************\n",
      "done.\n",
      "ENERGY FROM SEARCH: -5.84031\n",
      "FINAL ENERGY: \n",
      "Estimated Free Energy of Binding   : -5.840 (kcal/mol) [=(1)+(2)+(3)-(4)]\n",
      "(1) Final Intermolecular Energy    : -5.840 (kcal/mol)\n",
      "    Ligand - Receptor              : -5.840 (kcal/mol)\n",
      "    Ligand - Flex side chains      : 0.000 (kcal/mol)\n",
      "(2) Final Total Internal Energy    : 0.000 (kcal/mol)\n",
      "    Ligand                         : 0.000 (kcal/mol)\n",
      "    Flex   - Receptor              : 0.000 (kcal/mol)\n",
      "    Flex   - Flex side chains      : 0.000 (kcal/mol)\n",
      "(3) Torsional Free Energy          : 0.000 (kcal/mol)\n",
      "(4) Unbound System's Energy        : 0.000 (kcal/mol)\n",
      "ENERGY FROM SEARCH: -5.819\n",
      "FINAL ENERGY: \n",
      "Estimated Free Energy of Binding   : -5.819 (kcal/mol) [=(1)+(2)+(3)-(4)]\n",
      "(1) Final Intermolecular Energy    : -5.819 (kcal/mol)\n",
      "    Ligand - Receptor              : -5.819 (kcal/mol)\n",
      "    Ligand - Flex side chains      : 0.000 (kcal/mol)\n",
      "(2) Final Total Internal Energy    : 0.000 (kcal/mol)\n",
      "    Ligand                         : 0.000 (kcal/mol)\n",
      "    Flex   - Receptor              : 0.000 (kcal/mol)\n",
      "    Flex   - Flex side chains      : 0.000 (kcal/mol)\n",
      "(3) Torsional Free Energy          : 0.000 (kcal/mol)\n",
      "(4) Unbound System's Energy        : 0.000 (kcal/mol)\n",
      "ENERGY FROM SEARCH: -5.784\n",
      "FINAL ENERGY: \n",
      "Estimated Free Energy of Binding   : -5.784 (kcal/mol) [=(1)+(2)+(3)-(4)]\n",
      "(1) Final Intermolecular Energy    : -5.784 (kcal/mol)\n",
      "    Ligand - Receptor              : -5.784 (kcal/mol)\n",
      "    Ligand - Flex side chains      : 0.000 (kcal/mol)\n",
      "(2) Final Total Internal Energy    : 0.000 (kcal/mol)\n",
      "    Ligand                         : 0.000 (kcal/mol)\n",
      "    Flex   - Receptor              : 0.000 (kcal/mol)\n",
      "    Flex   - Flex side chains      : 0.000 (kcal/mol)\n",
      "(3) Torsional Free Energy          : 0.000 (kcal/mol)\n",
      "(4) Unbound System's Energy        : 0.000 (kcal/mol)\n",
      "ENERGY FROM SEARCH: -5.087\n",
      "FINAL ENERGY: \n",
      "Estimated Free Energy of Binding   : -5.087 (kcal/mol) [=(1)+(2)+(3)-(4)]\n",
      "(1) Final Intermolecular Energy    : -5.087 (kcal/mol)\n",
      "    Ligand - Receptor              : -5.087 (kcal/mol)\n",
      "    Ligand - Flex side chains      : 0.000 (kcal/mol)\n",
      "(2) Final Total Internal Energy    : 0.000 (kcal/mol)\n",
      "    Ligand                         : 0.000 (kcal/mol)\n",
      "    Flex   - Receptor              : 0.000 (kcal/mol)\n",
      "    Flex   - Flex side chains      : 0.000 (kcal/mol)\n",
      "(3) Torsional Free Energy          : 0.000 (kcal/mol)\n",
      "(4) Unbound System's Energy        : 0.000 (kcal/mol)\n",
      "ENERGY FROM SEARCH: -4.159\n",
      "FINAL ENERGY: \n",
      "Estimated Free Energy of Binding   : -4.159 (kcal/mol) [=(1)+(2)+(3)-(4)]\n",
      "(1) Final Intermolecular Energy    : -4.159 (kcal/mol)\n",
      "    Ligand - Receptor              : -4.159 (kcal/mol)\n",
      "    Ligand - Flex side chains      : 0.000 (kcal/mol)\n",
      "(2) Final Total Internal Energy    : 0.000 (kcal/mol)\n",
      "    Ligand                         : 0.000 (kcal/mol)\n",
      "    Flex   - Receptor              : 0.000 (kcal/mol)\n",
      "    Flex   - Flex side chains      : 0.000 (kcal/mol)\n",
      "(3) Torsional Free Energy          : 0.000 (kcal/mol)\n",
      "(4) Unbound System's Energy        : 0.000 (kcal/mol)\n",
      "ENERGY FROM SEARCH: -4.145\n",
      "FINAL ENERGY: \n",
      "Estimated Free Energy of Binding   : -4.145 (kcal/mol) [=(1)+(2)+(3)-(4)]\n",
      "(1) Final Intermolecular Energy    : -4.145 (kcal/mol)\n",
      "    Ligand - Receptor              : -4.145 (kcal/mol)\n",
      "    Ligand - Flex side chains      : 0.000 (kcal/mol)\n",
      "(2) Final Total Internal Energy    : 0.000 (kcal/mol)\n",
      "    Ligand                         : 0.000 (kcal/mol)\n",
      "    Flex   - Receptor              : 0.000 (kcal/mol)\n",
      "    Flex   - Flex side chains      : 0.000 (kcal/mol)\n",
      "(3) Torsional Free Energy          : 0.000 (kcal/mol)\n",
      "(4) Unbound System's Energy        : 0.000 (kcal/mol)\n",
      "\n",
      "mode |   affinity | dist from best mode\n",
      "     | (kcal/mol) | rmsd l.b.| rmsd u.b.\n",
      "-----+------------+----------+----------\n",
      "   1      -5.8403     0.0000     0.0000\n",
      "   2      -5.8186     0.0852     1.9794\n",
      "   3      -5.7836     0.2041     2.3322\n",
      "   4      -5.0873     0.5063     1.9850\n",
      "   5      -4.1586     2.5142     4.0258\n",
      "   6      -4.1446     2.5604     3.9280\n",
      "\n",
      "+ Docking completed\n",
      "+ Time elapsed: 00m 05s\n",
      "+ small_output.pdbqt > DOCKING folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Run AutoDock Vina**\n",
    "# @markdown Select **< Exhaustiveness >** for molecular docking. **[ Default is 16 ]** \\\n",
    "# @markdown This generates a **`ligand_output.pdbqt`** containing different binding poses predicted.\n",
    "\n",
    "Exhaustiveness = '4' # @param [4, 8, 16, 32, 64, 128, 256]\n",
    "\n",
    "cpu_cores = os.cpu_count()\n",
    "LIG_oupt_log = LIG_ID + '_output.log'\n",
    "LIG_oupt_pdbqt = LIG_ID + '_output.pdbqt'\n",
    "LIG_oupt_log_dFFile = os.path.join(LIG_dFLD, LIG_oupt_log)\n",
    "LIG_oupt_pdbqt_dFFile = os.path.join(LIG_dFLD, LIG_oupt_pdbqt)\n",
    "\n",
    "# -- Start docking --\n",
    "start = time.time()\n",
    "%vina --receptor {PROT_pdbqt_dFile} --ligand {LIG_pdbqt_dFFile} \\\n",
    "--out {LIG_oupt_pdbqt_dFFile} --config {cfg_dFile} --cpu {cpu_cores} \\\n",
    "--exhaustiveness {Exhaustiveness} --verbosity 2 | tee {LIG_oupt_log_dFFile}\n",
    "end = time.time()\n",
    "# -- End docking --\n",
    "\n",
    "print(f'')\n",
    "print(f'+ Docking completed')\n",
    "print(f'+ Time elapsed: ' + time.strftime('%Mm %Ss', time.gmtime(end - start)))\n",
    "print(f'+ {LIG_oupt_pdbqt} > DOCKING folder')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/"
    },
    "id": "ZYwqvY5zFR9u",
    "outputId": "ee7ae782-e541-4df7-ff97-fc9855f4e37f",
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ 6 small_[n].pdb > DOCKING folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Process output file**\n",
    "# @markdown This generates **`ligand_[n].pdb`** for each predicted binding poses.\n",
    "\n",
    "LIG_dash_pdb = LIG_ID + '_.pdb'\n",
    "LIG_dash_pdb_dFFile = os.path.join(LIG_dFLD, LIG_dash_pdb)\n",
    "\n",
    "with open(LIG_oupt_pdbqt_dFFile, 'r') as oupt:\n",
    "    data = oupt.read()\n",
    "    pose = data.count('MODEL')\n",
    "\n",
    "!obabel {LIG_oupt_pdbqt_dFFile} -O {LIG_dash_pdb_dFFile} -m > /dev/null 2>&1\n",
    "print(f'+ {pose} {LIG_ID}_[n].pdb > DOCKING folder')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "RRCearBPB_49",
    "tags": []
   },
   "source": [
    "---\n",
    "---\n",
    "# **07 | Profiling Binding Interactions**\n",
    "\n",
    "After docking, we use PLIP to determine the non-covalent binding interactions between the docked ligand and target protein. We will prepare the required complex **`pdb`** file containing docked ligand pose and target protein for PLIP to profile interactions."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/",
     "height": 142,
     "referenced_widgets": [
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      "1a51381441a24097a32c8ced81181af7",
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    "outputId": "b577b657-a5ab-427a-e8ca-d16f7d4b3818",
    "tags": []
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   "outputs": [
    {
     "data": {
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       "model_id": "c5f7e9c580b44e2580ec8c9f4b51cc1e",
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      },
      "text/plain": [
       "  0%|          | 0/6 [00:00<?, ?it/s]"
      ]
     },
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    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "+ 6 small_[n]_cmpx.pdb > INTERACTION folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Generate complex PDB file**\n",
    "# @markdown This merges the target protein with each docked ligand poses to\n",
    "# @markdown produce individual **`cmpx.pdb`** file.\n",
    "\n",
    "def generate_cmpx_pdb(inpt_prot: str, inpt_pose: str, oupt_cmpx: str) -> None:\n",
    "\n",
    "    def write_line(line: str, keywords: list, oupt_file: str) -> None:\n",
    "        header = line.split()[0]\n",
    "        if header in keywords:\n",
    "            oupt_file.write(line)\n",
    "\n",
    "    def cmpx_writer() -> None:\n",
    "        with open(oupt_cmpx, 'w') as oupt_file, \\\n",
    "             open(inpt_prot, 'r') as prot_file, \\\n",
    "             open(inpt_pose, 'r') as pose_file:\n",
    "            for prot_line in prot_file:\n",
    "                write_line(prot_line, prot_headers, oupt_file)\n",
    "            for pose_line in pose_file:\n",
    "                write_line(pose_line, pose_headers, oupt_file)\n",
    "\n",
    "    prot_headers = ['ATOM', 'CONECT', 'TER']\n",
    "    pose_headers = ['ATOM', 'CONECT', 'END']\n",
    "    cmpx_writer()\n",
    "\n",
    "LIG_iFLD = os.path.join(INT_FLD, LIG_ID)\n",
    "os.makedirs(LIG_iFLD, exist_ok=True)\n",
    "LIG_pdb_dFFiles = sorted(glob.glob(LIG_dFLD + '/*.pdb'))\n",
    "\n",
    "count = 0\n",
    "for pose_file in tqdm(LIG_pdb_dFFiles):\n",
    "    pose_name = os.path.basename(pose_file).split('.')[0]\n",
    "    cmpx_pdb = pose_name + '_cmpx.pdb'\n",
    "    cmpx_pdb_iFile = os.path.join(LIG_iFLD, cmpx_pdb)\n",
    "    generate_cmpx_pdb(PROT_pdb_dFile, pose_file, cmpx_pdb_iFile)\n",
    "    count += 1\n",
    "\n",
    "print(f'+ {count} {LIG_ID}_[n]_cmpx.pdb > INTERACTION folder')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/",
     "height": 142,
     "referenced_widgets": [
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    "outputId": "2cc5c46d-8b5f-49b1-88fb-90a4c65cc576",
    "tags": []
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   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
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       "version_major": 2,
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    },
    {
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     "output_type": "stream",
     "text": [
      "+ 6 small_[n]_interpt.csv > INTERACTION folder\n"
     ]
    }
   ],
   "source": [
    "# @title **Run PLIP**\n",
    "# @markdown This generates an **`interpt.csv`** containing all detected binding\n",
    "# @markdown interaction for each individual **`cmpx.pdb`** file. \\\n",
    "# @markdown Supported: **`HYDROPHOBIC`**, **`HBOND`**, **`WATERBRIDGE`**,\n",
    "# @markdown **`SALTBRIDGE`**, **`PISTACKING`**, **`PICATION`**, **`HALOGEN`**, **`METAL`**. \\\n",
    "\n",
    "def interaction_profiler(inpt_cmpx: str, oupt_csv: str) -> None:\n",
    "\n",
    "    int_bonds = ['HYDROPHOBIC', 'HBOND', 'WATERBRIDGE', 'SALTBRIDGE',\n",
    "                 'PISTACKING', 'PICATION', 'HALOGEN', 'METAL']\n",
    "\n",
    "    def BSR(inpt_cmpx: str) -> object:\n",
    "        cmpx_mol = PDBComplex()\n",
    "        cmpx_mol.load_pdb(inpt_cmpx)\n",
    "        cmpx_lig = [lig for lig in cmpx_mol.ligands if lig.hetid == 'UNL'][0]\n",
    "        cmpx_mol.characterize_complex(cmpx_lig)\n",
    "        cmpx_int = cmpx_mol.interaction_sets['UNL:A:1']\n",
    "        cmpx_rpt = BindingSiteReport(cmpx_int)\n",
    "        return cmpx_rpt\n",
    "\n",
    "    def BSR_feat(bsr: object) -> list:\n",
    "        return [list(getattr(bsr, bond.lower() + '_features')) + ['BOND']\n",
    "                for bond in int_bonds]\n",
    "\n",
    "    def BSR_info(bsr: object) -> list:\n",
    "        return [[list(info) + [bond] for info in getattr(bsr, bond.lower() + '_info')]\n",
    "                for bond in int_bonds]\n",
    "\n",
    "    def replace_column(df: pd.DataFrame, col_A: str, cols: list) -> pd.DataFrame:\n",
    "        for col in cols:\n",
    "            if col in df.columns:\n",
    "                df[col_A] = df[col_A].fillna(df[col])\n",
    "            else:\n",
    "                pass\n",
    "        return df\n",
    "\n",
    "    def BSR_dataframe(bsr_feat: list, bsr_info: list) -> pd.DataFrame:\n",
    "        bsr_df = []\n",
    "        for feat, info in zip(bsr_feat, bsr_info):\n",
    "            if info:\n",
    "                df = pd.DataFrame(info, columns=feat)\n",
    "            else:\n",
    "                df = pd.DataFrame(columns=bsr_feat[0])\n",
    "            bsr_df.append(df)\n",
    "        BSR_df = pd.concat(bsr_df, ignore_index=True)\n",
    "        BSR_df = replace_column(BSR_df, 'DIST', ['DIST_D-A', 'CENTDIST'])\n",
    "        return BSR_df\n",
    "\n",
    "    cmpx_bsr = BSR(inpt_cmpx)\n",
    "    bsr_feat = BSR_feat(cmpx_bsr)\n",
    "    bsr_info = BSR_info(cmpx_bsr)\n",
    "    bsr_data = BSR_dataframe(bsr_feat, bsr_info)\n",
    "    bsr_data.to_csv(oupt_csv, index=False)\n",
    "\n",
    "cmpx_pdb_iFFiles = sorted(glob.glob(LIG_iFLD + '/*_cmpx.pdb'))\n",
    "\n",
    "count = 0\n",
    "for cmpx_file in tqdm(cmpx_pdb_iFFiles):\n",
    "    cmpx_name = os.path.basename(cmpx_file).split('.')[0][:-5]\n",
    "    inter_csv = cmpx_name + '_interpt.csv'\n",
    "    inter_csv_iFile = os.path.join(LIG_iFLD, inter_csv)\n",
    "    interaction_profiler(cmpx_file, inter_csv_iFile)\n",
    "    count += 1\n",
    "\n",
    "print(f'+ {count} {LIG_ID}_[n]_interpt.csv > INTERACTION folder')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "id": "xIfJWFo30Xf6",
    "tags": []
   },
   "source": [
    "---\n",
    "---\n",
    "# **08 | Analysing Docking Results**\n",
    "\n",
    "We process all the docking and binding internaction results generated into for further evaluation. We will compute the RMSD between native ligand and docked ligands using three different calculation methods. We will also visualise the docking pose in three-dimensional chemical space."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/",
     "height": 640
    },
    "id": "f4wYT6u-kDZN",
    "outputId": "e3dbf268-b5e8-4c10-825e-73f87a44b34e",
    "tags": []
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>RESTYPE</th>\n",
       "      <th>RESNR</th>\n",
       "      <th>DIST</th>\n",
       "      <th>BOND</th>\n",
       "      <th>COLOR</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>ILE</td>\n",
       "      <td>78</td>\n",
       "      <td>3.70</td>\n",
       "      <td>HYDROPHOBIC</td>\n",
       "      <td>GREEN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>LEU</td>\n",
       "      <td>84</td>\n",
       "      <td>3.73</td>\n",
       "      <td>HYDROPHOBIC</td>\n",
       "      <td>GREEN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>LEU</td>\n",
       "      <td>84</td>\n",
       "      <td>3.96</td>\n",
       "      <td>HYDROPHOBIC</td>\n",
       "      <td>GREEN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>TYR</td>\n",
       "      <td>88</td>\n",
       "      <td>3.74</td>\n",
       "      <td>HYDROPHOBIC</td>\n",
       "      <td>GREEN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>ALA</td>\n",
       "      <td>99</td>\n",
       "      <td>3.72</td>\n",
       "      <td>HYDROPHOBIC</td>\n",
       "      <td>GREEN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>VAL</td>\n",
       "      <td>103</td>\n",
       "      <td>3.78</td>\n",
       "      <td>HYDROPHOBIC</td>\n",
       "      <td>GREEN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>LEU</td>\n",
       "      <td>118</td>\n",
       "      <td>3.59</td>\n",
       "      <td>HYDROPHOBIC</td>\n",
       "      <td>GREEN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "  RESTYPE  RESNR  DIST         BOND  COLOR\n",
       "0     ILE     78  3.70  HYDROPHOBIC  GREEN\n",
       "1     LEU     84  3.73  HYDROPHOBIC  GREEN\n",
       "2     LEU     84  3.96  HYDROPHOBIC  GREEN\n",
       "3     TYR     88  3.74  HYDROPHOBIC  GREEN\n",
       "4     ALA     99  3.72  HYDROPHOBIC  GREEN\n",
       "5     VAL    103  3.78  HYDROPHOBIC  GREEN\n",
       "6     LEU    118  3.59  HYDROPHOBIC  GREEN"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# @title **Show interaction profile**\n",
    "# @markdown Enter the **< Pose Name >** to view the binding interactions.\n",
    "\n",
    "#Pose_name = 'JZ4' # @param {type : 'string'}\n",
    "Ligand_name = ID\n",
    "Pose_name = Ligand_name + '_1'\n",
    "LIG_interpt_csv = Pose_name + '_interpt.csv'\n",
    "LIG_interpt_csv_iFile = os.path.join(LIG_iFLD, LIG_interpt_csv)\n",
    "LIG_interpt_dict = interaction_dict(LIG_interpt_csv_iFile, usage='view')\n",
    "LIG_interpt_df = pd.DataFrame.from_dict(LIG_interpt_dict)\n",
    "LIG_interpt_df = LIG_interpt_df[['RESTYPE', 'RESNR', 'DIST', 'BOND', 'COLOR']]\n",
    "LIG_interpt_df"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "---\n",
    "---\n",
    "# **09 | Visualising Docking Results**\n",
    "\n",
    "We process all the docking and binding internaction results generated into for further evaluation. We will compute the RMSD between native ligand and docked ligands using three different calculation methods. We will also visualise the docking pose in three-dimensional chemical space."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "metadata": {
    "cellView": "form",
    "colab": {
     "base_uri": "https://localhost:8080/",
     "height": 677
    },
    "id": "vjkiHT29vDMs",
    "outputId": "3d75b0b7-c13d-4ddd-b077-803ac319c3a2",
    "tags": []
   },
   "outputs": [
    {
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\\nATOM      7  CB BMET A   1       7.591 -15.959  -7.473  0.50 16.50           C  \\nATOM      8  CG AMET A   1       9.121 -15.214  -7.502  0.50 15.40           C  \\nATOM      9  CG BMET A   1       7.587 -14.631  -6.772  0.50 17.53           C  \\nATOM     10  SD AMET A   1       9.709 -13.669  -8.227  0.50 14.04           S  \\nATOM     11  SD BMET A   1       8.595 -13.375  -7.571  0.50 24.67           S  \\nATOM     12  CE AMET A   1       8.304 -12.536  -8.057  0.50 10.74           C  \\nATOM     13  CE BMET A   1      10.121 -14.299  -7.810  0.50 22.50           C  \\nATOM     14  N   ASN A   2       8.696 -17.109 -10.221  1.00 13.04           N  \\nATOM     15  CA  ASN A   2       9.444 -18.214 -10.830  1.00 11.28           C  \\nATOM     16  C   ASN A   2      10.923 -17.749 -10.851  1.00 11.13           C  \\nATOM     17  O   ASN A   2      11.262 -16.586 -10.453  1.00  8.10           O  \\nATOM     18  CB  ASN A   2       8.903 -18.572 -12.242  1.00 11.33           C  \\nATOM     19  CG  ASN A   2       8.979 -17.384 -13.226  1.00 13.64           C  \\nATOM     20  OD1 ASN A   2      10.036 -16.854 -13.455  1.00  9.75           O  \\nATOM     21  ND2 ASN A   2       7.826 -16.975 -13.804  1.00 12.13           N  \\nATOM     22  N   ILE A   3      11.803 -18.653 -11.255  1.00  9.44           N  \\nATOM     23  CA  ILE A   3      13.215 -18.370 -11.247  1.00  9.32           C  \\nATOM     24  C   ILE A   3      13.649 -17.195 -12.132  1.00  7.70           C  \\nATOM     25  O   ILE A   3      14.597 -16.489 -11.782  1.00  9.80           O  \\nATOM     26  CB  ILE A   3      14.010 -19.669 -11.653  1.00  9.07           C  \\nATOM     27  CG1 ILE A   3      15.522 -19.542 -11.375  1.00  8.89           C  \\nATOM     28  CG2 ILE A   3      13.701 -20.044 -13.127  1.00  9.00           C  \\nATOM     29  CD1 ILE A   3      16.021 -18.938 -10.040  1.00 10.83           C  \\nATOM     30  N   PHE A   4      12.976 -16.982 -13.265  1.00  8.60           N  \\nATOM     31  CA  PHE A   4      13.313 -15.827 -14.061  1.00  8.69           C  \\nATOM     32  C   PHE A   4      12.939 -14.559 -13.370  1.00  9.89           C  \\nATOM     33  O   PHE A   4      13.695 -13.598 -13.393  1.00  9.06           O  \\nATOM     34  CB  PHE A   4      12.680 -15.895 -15.481  1.00  8.95           C  \\nATOM     35  CG  PHE A   4      13.207 -17.104 -16.277  1.00 11.87           C  \\nATOM     36  CD1 PHE A   4      12.684 -18.381 -16.087  1.00 12.45           C  \\nATOM     37  CD2 PHE A   4      14.252 -16.959 -17.165  1.00 10.91           C  \\nATOM     38  CE1 PHE A   4      13.203 -19.507 -16.757  1.00 10.97           C  \\nATOM     39  CE2 PHE A   4      14.737 -18.073 -17.875  1.00 13.68           C  \\nATOM     40  CZ  PHE A   4      14.194 -19.334 -17.662  1.00 13.03           C  \\nATOM     41  N   GLU A   5      11.735 -14.528 -12.804  1.00  9.90           N  \\nATOM     42  CA  GLU A   5      11.306 -13.288 -12.184  1.00 10.93           C  \\nATOM     43  C   GLU A   5      12.211 -12.996 -10.954  1.00  9.58           C  \\nATOM     44  O   GLU A   5      12.515 -11.866 -10.632  1.00  9.92           O  \\nATOM     45  CB  GLU A   5       9.901 -13.444 -11.758  1.00  9.58           C  \\nATOM     46  CG  GLU A   5       8.948 -13.592 -12.964  1.00 15.91           C  \\nATOM     47  CD  GLU A   5       7.492 -13.611 -12.523  1.00 20.54           C  \\nATOM     48  OE1 GLU A   5       7.233 -13.319 -11.345  1.00 25.87           O  \\nATOM     49  OE2 GLU A   5       6.590 -13.885 -13.346  1.00 24.46           O  \\nATOM     50  N   MET A   6      12.558 -14.075 -10.256  1.00 10.80           N  \\nATOM     51  CA  MET A   6      13.414 -13.998  -9.100  1.00 11.41           C  \\nATOM     52  C   MET A   6      14.747 -13.416  -9.466  1.00  9.30           C  \\nATOM     53  O   MET A   6      15.191 -12.450  -8.826  1.00 12.93           O  \\nATOM     54  CB  MET A   6      13.592 -15.388  -8.488  1.00 10.41           C  \\nATOM     55  CG  MET A   6      14.245 -15.365  -7.093  1.00 12.68           C  \\nATOM     56  SD  MET A   6      14.896 -16.987  -6.864  1.00 11.50           S  \\nATOM     57  CE  MET A   6      15.143 -17.019  -5.053  1.00 14.29           C  \\nATOM     58  N   LEU A   7      15.419 -14.013 -10.450  1.00  9.60           N  \\nATOM     59  CA  LEU A   7      16.760 -13.572 -10.840  1.00  9.70           C  \\nATOM     60  C   LEU A   7      16.725 -12.198 -11.446  1.00 10.08           C  \\nATOM     61  O   LEU A   7      17.663 -11.405 -11.248  1.00 10.17           O  \\nATOM     62  CB  LEU A   7      17.456 -14.566 -11.767  1.00  9.47           C  \\nATOM     63  CG  LEU A   7      18.050 -15.641 -10.882  1.00  9.83           C  \\nATOM     64  CD1 LEU A   7      18.407 -16.854 -11.660  1.00 11.30           C  \\nATOM     65  CD2 LEU A   7      19.263 -15.036 -10.178  1.00  7.37           C  \\nATOM     66  N   ARG A   8      15.623 -11.872 -12.125  1.00 10.56           N  \\nATOM     67  CA  ARG A   8      15.486 -10.533 -12.730  1.00 10.46           C  \\nATOM     68  C   ARG A   8      15.430  -9.437 -11.619  1.00 11.05           C  \\nATOM     69  O   ARG A   8      15.999  -8.357 -11.787  1.00 11.99           O  \\nATOM     70  CB  ARG A   8      14.207 -10.427 -13.573  1.00  9.24           C  \\nATOM     71  CG  ARG A   8      13.842  -8.998 -13.962  1.00  8.95           C  \\nATOM     72  CD  ARG A   8      14.682  -8.440 -15.117  1.00 10.45           C  \\nATOM     73  NE  ARG A   8      14.315  -7.024 -15.407  1.00 17.11           N  \\nATOM     74  CZ  ARG A   8      14.510  -5.992 -14.572  1.00 17.32           C  \\nATOM     75  NH1 ARG A   8      15.075  -6.150 -13.368  1.00 19.70           N  \\nATOM     76  NH2 ARG A   8      14.103  -4.781 -14.898  1.00 21.76           N  \\nATOM     77  N   ILE A   9      14.727  -9.723 -10.513  1.00 10.05           N  \\nATOM     78  CA  ILE A   9      14.736  -8.832  -9.354  1.00 11.98           C  \\nATOM     79  C   ILE A   9      16.184  -8.699  -8.794  1.00 10.19           C  \\nATOM     80  O   ILE A   9      16.685  -7.599  -8.621  1.00 11.01           O  \\nATOM     81  CB  ILE A   9      13.745  -9.307  -8.310  1.00 11.81           C  \\nATOM     82  CG1 ILE A   9      12.295  -8.991  -8.792  1.00 11.16           C  \\nATOM     83  CG2 ILE A   9      14.127  -8.715  -6.901  1.00 13.13           C  \\nATOM     84  CD1 ILE A   9      11.180  -9.833  -8.105  1.00 11.02           C  \\nATOM     85  N   ASP A  10      16.875  -9.822  -8.643  1.00  9.37           N  \\nATOM     86  CA  ASP A  10      18.185  -9.878  -7.994  1.00 10.57           C  \\nATOM     87  C   ASP A  10      19.311  -9.308  -8.857  1.00 10.86           C  \\nATOM     88  O   ASP A  10      20.255  -8.693  -8.331  1.00 10.88           O  \\nATOM     89  CB  ASP A  10      18.506 -11.300  -7.545  1.00  8.71           C  \\nATOM     90  CG  ASP A  10      17.731 -11.697  -6.281  1.00 10.36           C  \\nATOM     91  OD1 ASP A  10      17.176 -10.813  -5.602  1.00 12.18           O  \\nATOM     92  OD2 ASP A  10      17.610 -12.911  -5.989  1.00 15.40           O  \\nATOM     93  N   GLU A  11      19.154  -9.412 -10.175  1.00 10.35           N  \\nATOM     94  CA  GLU A  11      20.297  -9.178 -11.071  1.00  9.98           C  \\nATOM     95  C   GLU A  11      20.085  -7.849 -11.752  1.00 11.17           C  \\nATOM     96  O   GLU A  11      21.027  -7.244 -12.149  1.00 10.89           O  \\nATOM     97  CB  GLU A  11      20.423 -10.284 -12.090  1.00 11.45           C  \\nATOM     98  CG  GLU A  11      20.983 -11.570 -11.540  1.00  8.72           C  \\nATOM     99  CD  GLU A  11      22.331 -11.403 -10.856  1.00 14.34           C  \\nATOM    100  OE1 GLU A  11      22.997 -10.296 -10.924  1.00 19.80           O  \\nATOM    101  OE2 GLU A  11      22.765 -12.362 -10.191  1.00 13.76           O  \\nATOM    102  N   GLY A  12      18.835  -7.395 -11.858  1.00  9.73           N  \\nATOM    103  CA  GLY A  12      18.503  -6.196 -12.686  1.00 10.14           C  \\nATOM    104  C   GLY A  12      18.558  -6.457 -14.191  1.00  9.64           C  \\nATOM    105  O   GLY A  12      18.692  -7.612 -14.632  1.00  8.39           O  \\nATOM    106  N   LEU A  13      18.315  -5.384 -14.951  1.00 10.95           N  \\nATOM    107  CA  LEU A  13      18.476  -5.410 -16.395  1.00 10.93           C  \\nATOM    108  C   LEU A  13      19.230  -4.158 -16.821  1.00 12.47           C  \\nATOM    109  O   LEU A  13      18.764  -3.037 -16.638  1.00 10.09           O  \\nATOM    110  CB  LEU A  13      17.121  -5.551 -17.094  1.00 10.84           C  \\nATOM    111  CG  LEU A  13      17.051  -5.400 -18.622  1.00 13.98           C  \\nATOM    112  CD1 LEU A  13      17.887  -6.504 -19.296  1.00 14.85           C  \\nATOM    113  CD2 LEU A  13      15.573  -5.621 -18.963  1.00 20.16           C  \\nATOM    114  N   ARG A  14      20.427  -4.347 -17.366  1.00 13.51           N  \\nATOM    115  CA  ARG A  14      21.161  -3.231 -17.947  1.00 12.55           C  \\nATOM    116  C   ARG A  14      21.624  -3.631 -19.343  1.00 13.91           C  \\nATOM    117  O   ARG A  14      22.092  -4.770 -19.558  1.00 13.51           O  \\nATOM    118  CB  ARG A  14      22.348  -2.865 -17.057  1.00 13.69           C  \\nATOM    119  CG  ARG A  14      21.881  -2.627 -15.541  1.00 10.77           C  \\nATOM    120  CD  ARG A  14      22.950  -2.031 -14.624  1.00 14.02           C  \\nATOM    121  NE  ARG A  14      23.267  -0.711 -15.097  1.00 18.61           N  \\nATOM    122  CZ  ARG A  14      24.231   0.041 -14.576  1.00 23.42           C  \\nATOM    123  NH1 ARG A  14      24.992  -0.441 -13.583  1.00 21.81           N  \\nATOM    124  NH2 ARG A  14      24.456   1.241 -15.079  1.00 24.97           N  \\nATOM    125  N   LEU A  15      21.488  -2.704 -20.276  1.00 14.21           N  \\nATOM    126  CA  LEU A  15      21.708  -3.028 -21.647  1.00 13.95           C  \\nATOM    127  C   LEU A  15      23.062  -2.639 -22.085  1.00 15.21           C  \\nATOM    128  O   LEU A  15      23.426  -3.007 -23.183  1.00 16.83           O  \\nATOM    129  CB  LEU A  15      20.647  -2.401 -22.523  1.00 14.29           C  \\nATOM    130  CG  LEU A  15      19.175  -2.813 -22.276  1.00 14.19           C  \\nATOM    131  CD1 LEU A  15      18.319  -2.230 -23.411  1.00 16.89           C  \\nATOM    132  CD2 LEU A  15      18.984  -4.289 -22.191  1.00 16.65           C  \\nATOM    133  N   LYS A  16      23.837  -1.955 -21.239  1.00 13.81           N  \\nATOM    134  CA  LYS A  16      25.207  -1.511 -21.600  1.00 14.34           C  \\nATOM    135  C   LYS A  16      26.123  -2.220 -20.641  1.00 13.58           C  \\nATOM    136  O   LYS A  16      25.731  -2.428 -19.477  1.00 15.63           O  \\nATOM    137  CB  LYS A  16      25.445  -0.003 -21.420  1.00 13.23           C  \\nATOM    138  CG  LYS A  16      24.695   0.873 -22.429  1.00 15.23           C  \\nATOM    139  CD  LYS A  16      24.562   2.348 -21.919  1.00 18.50           C  \\nATOM    140  CE  LYS A  16      24.042   3.253 -23.023  0.50 18.65           C  \\nATOM    141  NZ  LYS A  16      23.452   4.494 -22.483  0.50 21.53           N  \\nATOM    142  N   ILE A  17      27.336  -2.553 -21.085  1.00 14.54           N  \\nATOM    143  CA  ILE A  17      28.286  -3.207 -20.207  1.00 12.07           C  \\nATOM    144  C   ILE A  17      28.445  -2.430 -18.902  1.00 12.48           C  \\nATOM    145  O   ILE A  17      28.560  -1.225 -18.904  1.00 11.54           O  \\nATOM    146  CB  ILE A  17      29.634  -3.435 -20.873  1.00 12.95           C  \\nATOM    147  CG1 ILE A  17      29.493  -4.310 -22.144  1.00  8.75           C  \\nATOM    148  CG2 ILE A  17      30.696  -3.989 -19.862  1.00 12.45           C  \\nATOM    149  CD1 ILE A  17      30.848  -4.603 -22.812  1.00 12.23           C  \\nATOM    150  N   TYR A  18      28.373  -3.145 -17.790  1.00 14.39           N  \\nATOM    151  CA  TYR A  18      28.495  -2.515 -16.435  1.00 14.47           C  \\nATOM    152  C   TYR A  18      29.363  -3.471 -15.607  1.00 11.71           C  \\nATOM    153  O   TYR A  18      29.567  -4.613 -16.003  1.00 11.89           O  \\nATOM    154  CB  TYR A  18      27.118  -2.287 -15.749  1.00 13.83           C  \\nATOM    155  CG  TYR A  18      26.357  -3.552 -15.398  1.00 16.86           C  \\nATOM    156  CD1 TYR A  18      26.399  -4.107 -14.085  1.00 18.55           C  \\nATOM    157  CD2 TYR A  18      25.550  -4.229 -16.381  1.00 17.94           C  \\nATOM    158  CE1 TYR A  18      25.696  -5.338 -13.766  1.00 17.18           C  \\nATOM    159  CE2 TYR A  18      24.833  -5.419 -16.053  1.00 14.72           C  \\nATOM    160  CZ  TYR A  18      24.891  -5.954 -14.728  1.00 19.33           C  \\nATOM    161  OH  TYR A  18      24.153  -7.143 -14.446  1.00 17.43           O  \\nATOM    162  N   LYS A  19      29.830  -2.990 -14.466  1.00 10.51           N  \\nATOM    163  CA  LYS A  19      30.548  -3.762 -13.546  1.00 11.63           C  \\nATOM    164  C   LYS A  19      29.558  -4.240 -12.469  1.00 10.87           C  \\nATOM    165  O   LYS A  19      28.710  -3.454 -11.952  1.00 10.79           O  \\nATOM    166  CB  LYS A  19      31.682  -2.988 -12.948  1.00 10.53           C  \\nATOM    167  CG  LYS A  19      32.726  -2.643 -13.946  1.00 12.17           C  \\nATOM    168  CD  LYS A  19      33.877  -2.083 -13.250  1.00 13.68           C  \\nATOM    169  CE  LYS A  19      34.967  -1.539 -14.227  1.00 14.68           C  \\nATOM    170  NZ  LYS A  19      35.970  -0.819 -13.352  1.00 14.18           N  \\nATOM    171  N   ASP A  20      29.600  -5.541 -12.238  1.00 10.28           N  \\nATOM    172  CA  ASP A  20      28.755  -6.178 -11.230  1.00 10.35           C  \\nATOM    173  C   ASP A  20      29.298  -5.856  -9.825  1.00 11.13           C  \\nATOM    174  O   ASP A  20      30.226  -5.065  -9.684  1.00 13.25           O  \\nATOM    175  CB  ASP A  20      28.668  -7.714 -11.433  1.00  9.98           C  \\nATOM    176  CG  ASP A  20      29.988  -8.465 -11.129  1.00 12.88           C  \\nATOM    177  OD1 ASP A  20      30.984  -7.917 -10.654  1.00 12.47           O  \\nATOM    178  OD2 ASP A  20      30.049  -9.702 -11.403  1.00 17.43           O  \\nATOM    179  N   THR A  21      28.720  -6.477  -8.805  1.00 11.25           N  \\nATOM    180  CA ATHR A  21      29.009  -6.152  -7.390  0.50 11.50           C  \\nATOM    181  CA BTHR A  21      29.034  -6.058  -7.448  0.50 12.55           C  \\nATOM    182  C   THR A  21      30.477  -6.421  -7.079  1.00 13.05           C  \\nATOM    183  O   THR A  21      31.021  -5.897  -6.128  1.00 13.00           O  \\nATOM    184  CB ATHR A  21      28.137  -6.999  -6.443  0.50 11.96           C  \\nATOM    185  CB BTHR A  21      28.006  -6.598  -6.483  0.50 13.53           C  \\nATOM    186  OG1ATHR A  21      28.532  -8.367  -6.545  0.50  9.71           O  \\nATOM    187  OG1BTHR A  21      28.188  -5.969  -5.222  0.50 15.74           O  \\nATOM    188  CG2ATHR A  21      26.613  -6.864  -6.788  0.50  9.51           C  \\nATOM    189  CG2BTHR A  21      28.126  -8.101  -6.356  0.50 11.11           C  \\nATOM    190  N   GLU A  22      31.092  -7.317  -7.862  1.00 13.35           N  \\nATOM    191  CA  GLU A  22      32.490  -7.662  -7.724  1.00 12.75           C  \\nATOM    192  C   GLU A  22      33.430  -6.817  -8.601  1.00 12.79           C  \\nATOM    193  O   GLU A  22      34.654  -7.008  -8.550  1.00 14.56           O  \\nATOM    194  CB  GLU A  22      32.706  -9.174  -7.929  1.00 14.64           C  \\nATOM    195  CG  GLU A  22      32.057 -10.100  -6.954  1.00 15.63           C  \\nATOM    196  CD  GLU A  22      32.687  -9.982  -5.568  1.00 24.42           C  \\nATOM    197  OE1 GLU A  22      33.939  -9.752  -5.413  1.00 27.57           O  \\nATOM    198  OE2 GLU A  22      31.927 -10.082  -4.603  1.00 25.73           O  \\nATOM    199  N   GLY A  23      32.899  -5.860  -9.369  1.00 12.54           N  \\nATOM    200  CA  GLY A  23      33.714  -5.054 -10.291  1.00 12.77           C  \\nATOM    201  C   GLY A  23      33.925  -5.726 -11.631  1.00 13.27           C  \\nATOM    202  O   GLY A  23      34.746  -5.261 -12.389  1.00 12.49           O  \\nATOM    203  N   TYR A  24      33.188  -6.818 -11.934  1.00 12.52           N  \\nATOM    204  CA ATYR A  24      33.399  -7.500 -13.218  0.50 12.99           C  \\nATOM    205  CA BTYR A  24      33.342  -7.583 -13.178  0.50 13.06           C  \\nATOM    206  C   TYR A  24      32.400  -7.159 -14.255  1.00 12.20           C  \\nATOM    207  O   TYR A  24      31.233  -7.035 -13.968  1.00 12.55           O  \\nATOM    208  CB ATYR A  24      33.556  -9.021 -13.089  0.50 13.61           C  \\nATOM    209  CB BTYR A  24      33.041  -9.063 -12.949  0.50 13.86           C  \\nATOM    210  CG ATYR A  24      34.623  -9.343 -12.121  0.50 13.38           C  \\nATOM    211  CG BTYR A  24      33.927  -9.785 -11.988  0.50 13.37           C  \\nATOM    212  CD1ATYR A  24      35.916  -8.819 -12.279  0.50 11.36           C  \\nATOM    213  CD1BTYR A  24      35.285  -9.532 -11.952  0.50 17.24           C  \\nATOM    214  CD2ATYR A  24      34.349 -10.120 -11.004  0.50 14.00           C  \\nATOM    215  CD2BTYR A  24      33.402 -10.744 -11.107  0.50 15.02           C  \\nATOM    216  CE1ATYR A  24      36.918  -9.086 -11.342  0.50 12.77           C  \\nATOM    217  CE1BTYR A  24      36.106 -10.204 -11.059  0.50 16.72           C  \\nATOM    218  CE2ATYR A  24      35.317 -10.382 -10.083  0.50 15.94           C  \\nATOM    219  CE2BTYR A  24      34.209 -11.418 -10.221  0.50 15.43           C  \\nATOM    220  CZ ATYR A  24      36.598  -9.865 -10.238  0.50 14.47           C  \\nATOM    221  CZ BTYR A  24      35.565 -11.151 -10.195  0.50 16.64           C  \\nATOM    222  OH ATYR A  24      37.533 -10.179  -9.280  0.50 17.75           O  \\nATOM    223  OH BTYR A  24      36.411 -11.818  -9.312  0.50 13.96           O  \\nATOM    224  N   TYR A  25      32.932  -7.026 -15.486  1.00 12.09           N  \\nATOM    225  CA  TYR A  25      32.179  -6.584 -16.638  1.00 12.61           C  \\nATOM    226  C   TYR A  25      31.081  -7.581 -16.948  1.00 11.80           C  \\nATOM    227  O   TYR A  25      31.336  -8.785 -17.028  1.00 11.78           O  \\nATOM    228  CB  TYR A  25      33.048  -6.452 -17.840  1.00 11.99           C  \\nATOM    229  CG  TYR A  25      33.968  -5.305 -17.737  1.00 13.52           C  \\nATOM    230  CD1 TYR A  25      35.325  -5.518 -17.812  1.00 15.00           C  \\nATOM    231  CD2 TYR A  25      33.488  -4.013 -17.535  1.00 12.92           C  \\nATOM    232  CE1 TYR A  25      36.223  -4.433 -17.731  1.00 15.76           C  \\nATOM    233  CE2 TYR A  25      34.355  -2.917 -17.467  1.00 14.50           C  \\nATOM    234  CZ  TYR A  25      35.739  -3.147 -17.578  1.00 16.48           C  \\nATOM    235  OH  TYR A  25      36.629  -2.116 -17.499  1.00 18.00           O  \\nATOM    236  N   THR A  26      29.880  -7.035 -17.078  1.00 11.69           N  \\nATOM    237  CA  THR A  26      28.634  -7.821 -17.042  1.00 12.00           C  \\nATOM    238  C   THR A  26      27.677  -7.090 -17.975  1.00 11.69           C  \\nATOM    239  O   THR A  26      27.861  -5.934 -18.220  1.00 12.63           O  \\nATOM    240  CB  THR A  26      28.104  -7.933 -15.551  1.00 12.28           C  \\nATOM    241  OG1 THR A  26      29.112  -8.590 -14.733  1.00 13.67           O  \\nATOM    242  CG2 THR A  26      26.740  -8.671 -15.460  1.00 13.96           C  \\nATOM    243  N   ILE A  27      26.673  -7.754 -18.529  1.00 10.49           N  \\nATOM    244  CA  ILE A  27      25.623  -7.061 -19.275  1.00 11.85           C  \\nATOM    245  C   ILE A  27      24.289  -7.760 -19.021  1.00 10.90           C  \\nATOM    246  O   ILE A  27      24.262  -8.839 -18.484  1.00 13.57           O  \\nATOM    247  CB  ILE A  27      25.970  -6.982 -20.827  1.00  8.77           C  \\nATOM    248  CG1 ILE A  27      25.126  -5.864 -21.494  1.00  9.65           C  \\nATOM    249  CG2 ILE A  27      25.863  -8.366 -21.435  1.00 12.03           C  \\nATOM    250  CD1 ILE A  27      25.660  -5.372 -22.839  1.00 11.30           C  \\nATOM    251  N   GLY A  28      23.198  -7.134 -19.399  1.00 11.08           N  \\nATOM    252  CA  GLY A  28      21.893  -7.789 -19.451  1.00 11.75           C  \\nATOM    253  C   GLY A  28      21.405  -8.092 -18.068  1.00 11.50           C  \\nATOM    254  O   GLY A  28      21.389  -7.193 -17.197  1.00 11.34           O  \\nATOM    255  N   ILE A  29      21.008  -9.359 -17.869  1.00 11.68           N  \\nATOM    256  CA  ILE A  29      20.474  -9.822 -16.566  1.00 10.38           C  \\nATOM    257  C   ILE A  29      21.581 -10.615 -15.842  1.00 10.59           C  \\nATOM    258  O   ILE A  29      21.520 -11.830 -15.751  1.00 11.75           O  \\nATOM    259  CB  ILE A  29      19.130 -10.547 -16.693  1.00 11.65           C  \\nATOM    260  CG1 ILE A  29      18.055  -9.646 -17.356  1.00  8.43           C  \\nATOM    261  CG2 ILE A  29      18.591 -10.990 -15.328  1.00 10.08           C  \\nATOM    262  CD1 ILE A  29      16.933 -10.395 -18.113  1.00 12.83           C  \\nATOM    263  N   GLY A  30      22.601  -9.907 -15.332  1.00 10.90           N  \\nATOM    264  CA  GLY A  30      23.716 -10.556 -14.663  1.00 10.32           C  \\nATOM    265  C   GLY A  30      24.459 -11.550 -15.525  1.00 11.48           C  \\nATOM    266  O   GLY A  30      24.903 -12.643 -15.066  1.00 12.69           O  \\nATOM    267  N   HIS A  31      24.650 -11.172 -16.779  1.00  8.99           N  \\nATOM    268  CA  HIS A  31      25.436 -12.044 -17.632  1.00 10.80           C  \\nATOM    269  C   HIS A  31      26.876 -11.567 -17.520  1.00  8.81           C  \\nATOM    270  O   HIS A  31      27.255 -10.542 -18.111  1.00 10.50           O  \\nATOM    271  CB  HIS A  31      24.990 -11.990 -19.097  1.00  9.28           C  \\nATOM    272  CG  HIS A  31      25.845 -12.837 -19.965  1.00  9.54           C  \\nATOM    273  ND1 HIS A  31      25.671 -14.193 -20.067  1.00 14.49           N  \\nATOM    274  CD2 HIS A  31      26.987 -12.555 -20.634  1.00 13.34           C  \\nATOM    275  CE1 HIS A  31      26.628 -14.703 -20.827  1.00 14.65           C  \\nATOM    276  NE2 HIS A  31      27.438 -13.727 -21.177  1.00 13.40           N  \\nATOM    277  N   LEU A  32      27.674 -12.359 -16.827  1.00 10.44           N  \\nATOM    278  CA  LEU A  32      29.069 -12.061 -16.591  1.00 12.64           C  \\nATOM    279  C   LEU A  32      29.796 -12.233 -17.912  1.00 12.40           C  \\nATOM    280  O   LEU A  32      29.675 -13.272 -18.584  1.00 12.89           O  \\nATOM    281  CB  LEU A  32      29.615 -13.058 -15.554  1.00 13.09           C  \\nATOM    282  CG  LEU A  32      31.118 -12.943 -15.243  1.00 14.71           C  \\nATOM    283  CD1 LEU A  32      31.455 -11.547 -14.710  1.00 11.58           C  \\nATOM    284  CD2 LEU A  32      31.592 -14.089 -14.245  1.00 14.66           C  \\nATOM    285  N   LEU A  33      30.519 -11.216 -18.322  1.00 12.36           N  \\nATOM    286  CA  LEU A  33      31.266 -11.293 -19.602  1.00 13.55           C  \\nATOM    287  C   LEU A  33      32.696 -11.751 -19.366  1.00 15.00           C  \\nATOM    288  O   LEU A  33      33.203 -12.621 -20.102  1.00 15.58           O  \\nATOM    289  CB  LEU A  33      31.321  -9.920 -20.203  1.00 13.92           C  \\nATOM    290  CG  LEU A  33      29.961  -9.530 -20.748  1.00  9.98           C  \\nATOM    291  CD1 LEU A  33      29.967  -8.038 -21.078  1.00 11.52           C  \\nATOM    292  CD2 LEU A  33      29.599 -10.356 -22.046  1.00  6.96           C  \\nATOM    293  N   THR A  34      33.339 -11.200 -18.333  1.00 15.13           N  \\nATOM    294  CA  THR A  34      34.686 -11.561 -18.021  1.00 16.46           C  \\nATOM    295  C   THR A  34      35.082 -11.015 -16.666  1.00 17.47           C  \\nATOM    296  O   THR A  34      34.547  -9.979 -16.232  1.00 17.59           O  \\nATOM    297  CB  THR A  34      35.721 -10.977 -19.080  1.00 18.65           C  \\nATOM    298  OG1 THR A  34      37.052 -11.341 -18.700  1.00 19.78           O  \\nATOM    299  CG2 THR A  34      35.689  -9.465 -19.114  1.00 12.88           C  \\nATOM    300  N   LYS A  35      36.068 -11.674 -16.039  1.00 18.87           N  \\nATOM    301  CA  LYS A  35      36.806 -11.089 -14.902  1.00 21.97           C  \\nATOM    302  C   LYS A  35      37.974 -10.166 -15.236  1.00 23.16           C  \\nATOM    303  O   LYS A  35      38.512  -9.480 -14.335  1.00 23.53           O  \\nATOM    304  CB  LYS A  35      37.258 -12.169 -13.930  1.00 22.07           C  \\nATOM    305  CG  LYS A  35      36.033 -12.908 -13.404  1.00 22.54           C  \\nATOM    306  CD  LYS A  35      36.355 -13.859 -12.265  1.00 20.80           C  \\nATOM    307  CE  LYS A  35      35.035 -14.572 -11.907  1.00 28.15           C  \\nATOM    308  NZ  LYS A  35      35.218 -15.611 -10.823  1.00 29.37           N  \\nATOM    309  N   SER A  36      38.357 -10.125 -16.505  1.00 23.27           N  \\nATOM    310  CA  SER A  36      39.391  -9.206 -16.956  1.00 22.49           C  \\nATOM    311  C   SER A  36      39.054  -7.756 -16.718  1.00 22.79           C  \\nATOM    312  O   SER A  36      37.917  -7.313 -16.954  1.00 20.74           O  \\nATOM    313  CB  SER A  36      39.643  -9.383 -18.454  1.00 23.05           C  \\nATOM    314  OG  SER A  36      40.470  -8.323 -18.929  1.00 21.13           O  \\nATOM    315  N   PRO A  37      40.044  -6.993 -16.251  1.00 23.64           N  \\nATOM    316  CA  PRO A  37      39.856  -5.563 -16.100  1.00 23.78           C  \\nATOM    317  C   PRO A  37      39.896  -4.829 -17.439  1.00 24.01           C  \\nATOM    318  O   PRO A  37      39.743  -3.621 -17.474  1.00 23.95           O  \\nATOM    319  CB  PRO A  37      41.054  -5.135 -15.238  1.00 24.98           C  \\nATOM    320  CG  PRO A  37      42.145  -6.158 -15.541  1.00 24.78           C  \\nATOM    321  CD  PRO A  37      41.366  -7.465 -15.809  1.00 24.30           C  \\nATOM    322  N   ASP A  38      40.068  -5.565 -18.522  1.00 23.55           N  \\nATOM    323  CA  ASP A  38      40.176  -4.981 -19.861  1.00 23.61           C  \\nATOM    324  C   ASP A  38      38.763  -4.867 -20.435  1.00 22.10           C  \\nATOM    325  O   ASP A  38      38.113  -5.896 -20.726  1.00 23.06           O  \\nATOM    326  CB  ASP A  38      40.984  -5.939 -20.711  1.00 23.90           C  \\nATOM    327  CG  ASP A  38      41.359  -5.383 -22.079  1.00 29.00           C  \\nATOM    328  OD1 ASP A  38      40.917  -4.290 -22.515  1.00 31.63           O  \\nATOM    329  OD2 ASP A  38      42.140  -6.103 -22.744  0.50 31.87           O  \\nATOM    330  N   LEU A  39      38.291  -3.640 -20.593  1.00 20.06           N  \\nATOM    331  CA  LEU A  39      37.000  -3.399 -21.170  1.00 17.93           C  \\nATOM    332  C   LEU A  39      36.922  -4.016 -22.574  1.00 17.00           C  \\nATOM    333  O   LEU A  39      35.903  -4.585 -22.967  1.00 14.52           O  \\nATOM    334  CB  LEU A  39      36.636  -1.933 -21.144  1.00 19.75           C  \\nATOM    335  CG  LEU A  39      35.242  -1.577 -21.762  1.00 19.08           C  \\nATOM    336  CD1 LEU A  39      33.981  -2.226 -21.083  1.00 15.17           C  \\nATOM    337  CD2 LEU A  39      35.178  -0.079 -21.883  1.00 17.63           C  \\nATOM    338  N   ASN A  40      38.013  -3.974 -23.313  1.00 15.29           N  \\nATOM    339  CA  ASN A  40      37.986  -4.574 -24.624  1.00 16.57           C  \\nATOM    340  C   ASN A  40      37.790  -6.091 -24.605  1.00 15.17           C  \\nATOM    341  O   ASN A  40      37.255  -6.653 -25.553  1.00 15.96           O  \\nATOM    342  CB  ASN A  40      39.272  -4.248 -25.372  1.00 19.04           C  \\nATOM    343  CG  ASN A  40      39.309  -2.805 -25.835  1.00 24.09           C  \\nATOM    344  OD1 ASN A  40      38.287  -2.209 -26.268  1.00 27.52           O  \\nATOM    345  ND2 ASN A  40      40.500  -2.211 -25.714  1.00 29.99           N  \\nATOM    346  N   ALA A  41      38.321  -6.754 -23.585  1.00 15.24           N  \\nATOM    347  CA  ALA A  41      38.222  -8.195 -23.467  1.00 15.24           C  \\nATOM    348  C   ALA A  41      36.757  -8.490 -23.200  1.00 15.28           C  \\nATOM    349  O   ALA A  41      36.235  -9.509 -23.713  1.00 16.99           O  \\nATOM    350  CB  ALA A  41      39.085  -8.733 -22.392  1.00 13.34           C  \\nATOM    351  N   ALA A  42      36.085  -7.617 -22.421  1.00 15.41           N  \\nATOM    352  CA  ALA A  42      34.615  -7.764 -22.207  1.00 13.34           C  \\nATOM    353  C   ALA A  42      33.800  -7.533 -23.458  1.00 14.85           C  \\nATOM    354  O   ALA A  42      32.802  -8.239 -23.737  1.00 15.53           O  \\nATOM    355  CB  ALA A  42      34.111  -6.888 -21.007  1.00 14.75           C  \\nATOM    356  N   LYS A  43      34.207  -6.541 -24.235  1.00 14.45           N  \\nATOM    357  CA  LYS A  43      33.554  -6.246 -25.485  1.00 13.01           C  \\nATOM    358  C   LYS A  43      33.731  -7.366 -26.446  1.00 11.58           C  \\nATOM    359  O   LYS A  43      32.795  -7.672 -27.135  1.00 13.80           O  \\nATOM    360  CB  LYS A  43      34.002  -4.925 -26.119  1.00 13.83           C  \\nATOM    361  CG  LYS A  43      33.566  -3.712 -25.306  1.00 18.49           C  \\nATOM    362  CD  LYS A  43      34.132  -2.436 -25.871  1.00 21.84           C  \\nATOM    363  CE  LYS A  43      33.394  -1.273 -25.232  1.00 26.35           C  \\nATOM    364  NZ  LYS A  43      33.578  -0.015 -25.966  1.00 30.22           N  \\nATOM    365  N   SER A  44      34.896  -8.006 -26.487  1.00 11.60           N  \\nATOM    366  CA  SER A  44      35.087  -9.174 -27.387  1.00 12.83           C  \\nATOM    367  C   SER A  44      34.145 -10.342 -26.941  1.00 13.44           C  \\nATOM    368  O   SER A  44      33.436 -10.996 -27.768  1.00 13.24           O  \\nATOM    369  CB  SER A  44      36.594  -9.526 -27.412  1.00 14.76           C  \\nATOM    370  OG  SER A  44      36.850 -10.723 -28.102  1.00 18.81           O  \\nATOM    371  N   GLU A  45      34.089 -10.602 -25.629  1.00 13.03           N  \\nATOM    372  CA  GLU A  45      33.200 -11.666 -25.058  1.00 12.59           C  \\nATOM    373  C   GLU A  45      31.750 -11.385 -25.361  1.00 12.07           C  \\nATOM    374  O   GLU A  45      31.017 -12.296 -25.676  1.00 13.76           O  \\nATOM    375  CB  GLU A  45      33.334 -11.748 -23.555  1.00 10.62           C  \\nATOM    376  CG  GLU A  45      34.647 -12.347 -23.128  1.00 12.96           C  \\nATOM    377  CD  GLU A  45      34.855 -13.718 -23.805  1.00 15.13           C  \\nATOM    378  OE1 GLU A  45      34.075 -14.665 -23.575  1.00 13.31           O  \\nATOM    379  OE2 GLU A  45      35.826 -13.847 -24.550  1.00 17.67           O  \\nATOM    380  N   LEU A  46      31.316 -10.121 -25.250  1.00 11.28           N  \\nATOM    381  CA  LEU A  46      29.963  -9.716 -25.595  1.00 10.57           C  \\nATOM    382  C   LEU A  46      29.645 -10.066 -27.044  1.00 11.44           C  \\nATOM    383  O   LEU A  46      28.620 -10.666 -27.334  1.00 12.45           O  \\nATOM    384  CB  LEU A  46      29.680  -8.195 -25.388  1.00  7.82           C  \\nATOM    385  CG  LEU A  46      28.261  -7.700 -25.710  1.00  8.57           C  \\nATOM    386  CD1 LEU A  46      27.223  -8.416 -24.846  1.00 11.19           C  \\nATOM    387  CD2 LEU A  46      28.126  -6.246 -25.455  1.00 10.01           C  \\nATOM    388  N   ASP A  47      30.509  -9.645 -27.950  1.00 12.06           N  \\nATOM    389  CA  ASP A  47      30.287  -9.869 -29.345  1.00 11.19           C  \\nATOM    390  C   ASP A  47      30.254 -11.369 -29.653  1.00 11.07           C  \\nATOM    391  O   ASP A  47      29.487 -11.789 -30.501  1.00 10.42           O  \\nATOM    392  CB  ASP A  47      31.423  -9.217 -30.093  1.00 10.99           C  \\nATOM    393  CG  ASP A  47      31.363  -7.695 -30.024  1.00 12.43           C  \\nATOM    394  OD1 ASP A  47      30.355  -7.081 -29.552  1.00 10.46           O  \\nATOM    395  OD2 ASP A  47      32.309  -7.121 -30.573  1.00 18.98           O  \\nATOM    396  N   LYS A  48      31.150 -12.145 -29.021  1.00 10.81           N  \\nATOM    397  CA  LYS A  48      31.160 -13.618 -29.170  1.00 10.31           C  \\nATOM    398  C   LYS A  48      29.782 -14.205 -28.710  1.00  9.51           C  \\nATOM    399  O   LYS A  48      29.201 -15.075 -29.374  1.00 10.98           O  \\nATOM    400  CB  LYS A  48      32.335 -14.214 -28.396  1.00  8.87           C  \\nATOM    401  CG  LYS A  48      32.462 -15.715 -28.570  1.00  9.35           C  \\nATOM    402  CD  LYS A  48      33.818 -16.315 -28.181  1.00  8.34           C  \\nATOM    403  CE  LYS A  48      34.396 -15.833 -26.876  1.00  9.68           C  \\nATOM    404  NZ  LYS A  48      33.695 -16.293 -25.719  1.00 11.58           N  \\nATOM    405  N   ALA A  49      29.245 -13.662 -27.615  1.00 10.87           N  \\nATOM    406  CA  ALA A  49      28.052 -14.170 -26.929  1.00 12.51           C  \\nATOM    407  C   ALA A  49      26.820 -13.908 -27.790  1.00 12.83           C  \\nATOM    408  O   ALA A  49      25.892 -14.760 -27.952  1.00 11.18           O  \\nATOM    409  CB  ALA A  49      27.927 -13.423 -25.553  1.00 13.07           C  \\nATOM    410  N   ILE A  50      26.842 -12.746 -28.406  1.00 12.15           N  \\nATOM    411  CA  ILE A  50      25.673 -12.274 -29.151  1.00 12.61           C  \\nATOM    412  C   ILE A  50      25.735 -12.652 -30.633  1.00 11.87           C  \\nATOM    413  O   ILE A  50      24.695 -12.767 -31.255  1.00 12.43           O  \\nATOM    414  CB  ILE A  50      25.472 -10.730 -29.010  1.00 10.16           C  \\nATOM    415  CG1 ILE A  50      25.282 -10.393 -27.508  1.00 14.77           C  \\nATOM    416  CG2 ILE A  50      24.281 -10.260 -29.866  1.00 11.98           C  \\nATOM    417  CD1 ILE A  50      24.049 -10.949 -26.859  1.00 14.13           C  \\nATOM    418  N   GLY A  51      26.937 -12.913 -31.144  1.00 13.85           N  \\nATOM    419  CA  GLY A  51      27.113 -13.231 -32.576  1.00 14.53           C  \\nATOM    420  C   GLY A  51      27.105 -11.986 -33.492  1.00 17.21           C  \\nATOM    421  O   GLY A  51      26.856 -12.081 -34.685  1.00 17.73           O  \\nATOM    422  N   ARG A  52      27.351 -10.806 -32.950  1.00 16.02           N  \\nATOM    423  CA  ARG A  52      27.364  -9.594 -33.759  1.00 16.50           C  \\nATOM    424  C   ARG A  52      28.271  -8.634 -33.015  1.00 14.92           C  \\nATOM    425  O   ARG A  52      28.613  -8.905 -31.871  1.00 15.80           O  \\nATOM    426  CB  ARG A  52      25.933  -9.028 -34.021  1.00 15.77           C  \\nATOM    427  CG  ARG A  52      25.246  -8.424 -32.779  1.00 17.56           C  \\nATOM    428  CD  ARG A  52      23.915  -7.712 -33.120  1.00 20.09           C  \\nATOM    429  NE  ARG A  52      23.293  -7.136 -31.928  1.00 20.79           N  \\nATOM    430  CZ  ARG A  52      23.658  -6.002 -31.341  1.00 21.18           C  \\nATOM    431  NH1 ARG A  52      24.597  -5.250 -31.904  1.00 25.60           N  \\nATOM    432  NH2 ARG A  52      23.006  -5.576 -30.243  1.00 23.53           N  \\nATOM    433  N   ASN A  53      28.662  -7.545 -33.683  1.00 14.53           N  \\nATOM    434  CA  ASN A  53      29.520  -6.494 -33.171  1.00 15.36           C  \\nATOM    435  C   ASN A  53      28.632  -5.561 -32.350  1.00 15.47           C  \\nATOM    436  O   ASN A  53      27.881  -4.804 -32.906  1.00 13.54           O  \\nATOM    437  CB  ASN A  53      30.083  -5.698 -34.363  1.00 15.64           C  \\nATOM    438  CG  ASN A  53      31.367  -6.294 -34.930  0.50 16.35           C  \\nATOM    439  OD1 ASN A  53      32.043  -7.087 -34.292  0.50 17.84           O  \\nATOM    440  ND2 ASN A  53      31.703  -5.901 -36.141  0.50 14.99           N  \\nATOM    441  N   CYS A  54      28.636  -5.674 -31.027  1.00 15.19           N  \\nATOM    442  CA  CYS A  54      27.590  -4.959 -30.253  1.00 15.66           C  \\nATOM    443  C   CYS A  54      28.035  -3.621 -29.806  1.00 15.84           C  \\nATOM    444  O   CYS A  54      27.199  -2.775 -29.399  1.00 18.75           O  \\nATOM    445  CB  CYS A  54      27.165  -5.741 -29.019  1.00 14.40           C  \\nATOM    446  SG  CYS A  54      26.498  -7.306 -29.460  1.00 17.76           S  \\nATOM    447  N   ASN A  55      29.345  -3.411 -29.844  1.00 16.88           N  \\nATOM    448  CA  ASN A  55      29.936  -2.166 -29.332  1.00 17.33           C  \\nATOM    449  C   ASN A  55      29.426  -1.846 -27.898  1.00 17.29           C  \\nATOM    450  O   ASN A  55      29.010  -0.715 -27.600  1.00 18.40           O  \\nATOM    451  CB  ASN A  55      29.776  -1.019 -30.373  0.50 17.07           C  \\nATOM    452  CG  ASN A  55      30.752  -1.170 -31.559  0.50 16.33           C  \\nATOM    453  OD1 ASN A  55      30.405  -1.679 -32.645  0.50 15.28           O  \\nATOM    454  ND2 ASN A  55      32.004  -0.737 -31.339  0.50 17.57           N  \\nATOM    455  N   GLY A  56      29.441  -2.884 -27.041  1.00 17.17           N  \\nATOM    456  CA  GLY A  56      29.107  -2.757 -25.606  1.00 15.09           C  \\nATOM    457  C   GLY A  56      27.651  -2.511 -25.272  1.00 13.62           C  \\nATOM    458  O   GLY A  56      27.334  -2.204 -24.136  1.00 13.57           O  \\nATOM    459  N   VAL A  57      26.748  -2.702 -26.236  1.00 13.31           N  \\nATOM    460  CA  VAL A  57      25.346  -2.490 -26.026  1.00 13.69           C  \\nATOM    461  C   VAL A  57      24.535  -3.599 -26.695  1.00 12.83           C  \\nATOM    462  O   VAL A  57      24.850  -4.088 -27.791  1.00 12.42           O  \\nATOM    463  CB  VAL A  57      24.859  -1.101 -26.538  1.00 15.47           C  \\nATOM    464  CG1 VAL A  57      23.410  -0.916 -26.178  1.00 13.56           C  \\nATOM    465  CG2 VAL A  57      25.705   0.016 -25.893  1.00 14.18           C  \\nATOM    466  N   ILE A  58      23.511  -4.022 -25.982  1.00 13.06           N  \\nATOM    467  CA  ILE A  58      22.602  -5.022 -26.493  1.00 12.11           C  \\nATOM    468  C   ILE A  58      21.164  -4.584 -26.292  1.00 12.45           C  \\nATOM    469  O   ILE A  58      20.885  -3.604 -25.568  1.00 13.66           O  \\nATOM    470  CB  ILE A  58      22.798  -6.421 -25.791  1.00 10.33           C  \\nATOM    471  CG1 ILE A  58      22.427  -6.352 -24.291  1.00 12.49           C  \\nATOM    472  CG2 ILE A  58      24.250  -7.024 -26.093  1.00 12.03           C  \\nATOM    473  CD1 ILE A  58      22.387  -7.785 -23.587  1.00  9.93           C  \\nATOM    474  N   THR A  59      20.253  -5.328 -26.935  1.00 12.65           N  \\nATOM    475  CA  THR A  59      18.812  -5.151 -26.769  1.00 13.78           C  \\nATOM    476  C   THR A  59      18.222  -5.960 -25.596  1.00 14.47           C  \\nATOM    477  O   THR A  59      18.852  -6.901 -25.069  1.00 12.93           O  \\nATOM    478  CB  THR A  59      18.073  -5.512 -28.073  1.00 15.34           C  \\nATOM    479  OG1 THR A  59      18.130  -6.940 -28.269  1.00 14.31           O  \\nATOM    480  CG2 THR A  59      18.685  -4.675 -29.284  1.00 14.99           C  \\nATOM    481  N   LYS A  60      16.981  -5.603 -25.230  1.00 15.15           N  \\nATOM    482  CA  LYS A  60      16.272  -6.347 -24.200  1.00 15.55           C  \\nATOM    483  C   LYS A  60      16.150  -7.794 -24.630  1.00 15.96           C  \\nATOM    484  O   LYS A  60      16.365  -8.714 -23.817  1.00 15.57           O  \\nATOM    485  CB  LYS A  60      14.914  -5.735 -23.901  1.00 15.63           C  \\nATOM    486  CG  LYS A  60      14.212  -6.387 -22.697  1.00 14.56           C  \\nATOM    487  CD  LYS A  60      13.071  -5.601 -22.181  1.00 16.36           C  \\nATOM    488  CE  LYS A  60      12.125  -6.493 -21.386  1.00 21.55           C  \\nATOM    489  NZ  LYS A  60      10.958  -5.776 -20.764  0.50 24.65           N  \\nATOM    490  N   ASP A  61      15.803  -8.011 -25.912  1.00 16.94           N  \\nATOM    491  CA  ASP A  61      15.634  -9.389 -26.387  1.00 15.82           C  \\nATOM    492  C   ASP A  61      16.949 -10.149 -26.254  1.00 13.72           C  \\nATOM    493  O   ASP A  61      16.957 -11.323 -25.851  1.00 12.79           O  \\nATOM    494  CB  ASP A  61      15.230  -9.414 -27.845  1.00 16.67           C  \\nATOM    495  CG  ASP A  61      13.789  -9.038 -28.059  1.00 22.04           C  \\nATOM    496  OD1 ASP A  61      13.035  -8.672 -27.114  1.00 24.22           O  \\nATOM    497  OD2 ASP A  61      13.389  -9.094 -29.238  1.00 29.10           O  \\nATOM    498  N   GLU A  62      18.050  -9.502 -26.637  1.00 12.95           N  \\nATOM    499  CA  GLU A  62      19.371 -10.153 -26.539  1.00 13.13           C  \\nATOM    500  C   GLU A  62      19.666 -10.403 -25.071  1.00 11.06           C  \\nATOM    501  O   GLU A  62      20.270 -11.425 -24.758  1.00 10.10           O  \\nATOM    502  CB  GLU A  62      20.457  -9.318 -27.156  1.00 13.17           C  \\nATOM    503  CG  GLU A  62      20.188  -9.063 -28.645  1.00 16.48           C  \\nATOM    504  CD  GLU A  62      21.138  -8.105 -29.365  1.00 16.24           C  \\nATOM    505  OE1 GLU A  62      21.583  -7.055 -28.815  1.00 15.48           O  \\nATOM    506  OE2 GLU A  62      21.446  -8.420 -30.546  1.00 15.92           O  \\nATOM    507  N   ALA A  63      19.276  -9.464 -24.174  1.00 10.00           N  \\nATOM    508  CA  ALA A  63      19.507  -9.712 -22.738  1.00  8.92           C  \\nATOM    509  C   ALA A  63      18.773 -10.963 -22.260  1.00 10.79           C  \\nATOM    510  O   ALA A  63      19.393 -11.814 -21.590  1.00 11.01           O  \\nATOM    511  CB  ALA A  63      19.137  -8.549 -21.890  1.00 11.14           C  \\nATOM    512  N   GLU A  64      17.476 -11.074 -22.613  1.00 10.55           N  \\nATOM    513  CA  GLU A  64      16.654 -12.183 -22.194  1.00  9.59           C  \\nATOM    514  C   GLU A  64      17.154 -13.459 -22.831  1.00 10.50           C  \\nATOM    515  O   GLU A  64      17.118 -14.491 -22.222  1.00 10.93           O  \\nATOM    516  CB  GLU A  64      15.227 -11.879 -22.514  1.00 11.46           C  \\nATOM    517  CG  GLU A  64      14.650 -10.758 -21.559  1.00 12.95           C  \\nATOM    518  CD  GLU A  64      13.361 -10.129 -22.108  1.00 19.94           C  \\nATOM    519  OE1 GLU A  64      13.046 -10.395 -23.301  1.00 21.72           O  \\nATOM    520  OE2 GLU A  64      12.700  -9.325 -21.383  1.00 21.66           O  \\nATOM    521  N   LYS A  65      17.681 -13.388 -24.050  1.00  9.94           N  \\nATOM    522  CA  LYS A  65      18.256 -14.589 -24.614  1.00 10.27           C  \\nATOM    523  C   LYS A  65      19.452 -15.142 -23.818  1.00 10.44           C  \\nATOM    524  O   LYS A  65      19.510 -16.322 -23.500  1.00  8.28           O  \\nATOM    525  CB  LYS A  65      18.621 -14.364 -26.077  1.00 10.94           C  \\nATOM    526  CG  LYS A  65      19.120 -15.640 -26.661  1.00  9.62           C  \\nATOM    527  CD  LYS A  65      19.273 -15.438 -28.137  1.00 18.05           C  \\nATOM    528  CE  LYS A  65      19.717 -16.760 -28.669  1.00 20.75           C  \\nATOM    529  NZ  LYS A  65      19.257 -16.995 -30.009  1.00 22.44           N  \\nATOM    530  N   LEU A  66      20.416 -14.292 -23.518  1.00 11.27           N  \\nATOM    531  CA  LEU A  66      21.577 -14.664 -22.689  1.00 10.98           C  \\nATOM    532  C   LEU A  66      21.059 -15.219 -21.339  1.00 10.20           C  \\nATOM    533  O   LEU A  66      21.603 -16.197 -20.770  1.00  8.48           O  \\nATOM    534  CB  LEU A  66      22.431 -13.396 -22.435  1.00 11.43           C  \\nATOM    535  CG  LEU A  66      23.246 -12.880 -23.691  1.00 10.72           C  \\nATOM    536  CD1 LEU A  66      23.979 -11.568 -23.276  1.00 15.89           C  \\nATOM    537  CD2 LEU A  66      24.275 -13.877 -24.098  1.00 17.06           C  \\nATOM    538  N   PHE A  67      20.045 -14.540 -20.815  1.00 10.45           N  \\nATOM    539  CA  PHE A  67      19.483 -14.876 -19.493  1.00 11.64           C  \\nATOM    540  C   PHE A  67      18.889 -16.290 -19.535  1.00 11.66           C  \\nATOM    541  O   PHE A  67      19.155 -17.127 -18.662  1.00 12.35           O  \\nATOM    542  CB  PHE A  67      18.431 -13.838 -19.108  1.00 10.74           C  \\nATOM    543  CG  PHE A  67      17.788 -14.043 -17.704  1.00 13.29           C  \\nATOM    544  CD1 PHE A  67      18.546 -14.451 -16.611  1.00 11.59           C  \\nATOM    545  CD2 PHE A  67      16.417 -13.717 -17.508  1.00 14.66           C  \\nATOM    546  CE1 PHE A  67      18.012 -14.551 -15.339  1.00 13.70           C  \\nATOM    547  CE2 PHE A  67      15.844 -13.829 -16.240  1.00  8.46           C  \\nATOM    548  CZ  PHE A  67      16.641 -14.258 -15.165  1.00 14.46           C  \\nATOM    549  N   ASN A  68      18.036 -16.548 -20.516  1.00 11.62           N  \\nATOM    550  CA AASN A  68      17.541 -17.893 -20.780  0.50 11.70           C  \\nATOM    551  CA BASN A  68      17.543 -17.904 -20.656  0.50 11.62           C  \\nATOM    552  C   ASN A  68      18.665 -18.909 -20.772  1.00 11.78           C  \\nATOM    553  O   ASN A  68      18.594 -19.936 -20.142  1.00 13.01           O  \\nATOM    554  CB AASN A  68      16.820 -17.901 -22.136  0.50 11.53           C  \\nATOM    555  CB BASN A  68      16.563 -18.019 -21.810  0.50 11.63           C  \\nATOM    556  CG AASN A  68      15.372 -17.443 -22.038  0.50 12.13           C  \\nATOM    557  CG BASN A  68      15.825 -19.342 -21.829  0.50 11.61           C  \\nATOM    558  OD1AASN A  68      14.742 -17.598 -20.989  0.50 13.94           O  \\nATOM    559  OD1BASN A  68      16.124 -20.285 -21.087  0.50 13.56           O  \\nATOM    560  ND2AASN A  68      14.830 -16.893 -23.139  0.50  8.69           N  \\nATOM    561  ND2BASN A  68      14.820 -19.409 -22.683  0.50 15.20           N  \\nATOM    562  N   GLN A  69      19.727 -18.630 -21.556  1.00 11.81           N  \\nATOM    563  CA  GLN A  69      20.846 -19.553 -21.615  1.00 11.54           C  \\nATOM    564  C   GLN A  69      21.544 -19.724 -20.245  1.00 12.95           C  \\nATOM    565  O   GLN A  69      21.915 -20.861 -19.870  1.00 12.00           O  \\nATOM    566  CB  GLN A  69      21.893 -19.068 -22.615  1.00 12.40           C  \\nATOM    567  CG  GLN A  69      21.358 -19.052 -23.987  1.00  9.65           C  \\nATOM    568  CD  GLN A  69      22.297 -18.543 -25.025  1.00 15.93           C  \\nATOM    569  OE1 GLN A  69      22.004 -18.771 -26.199  1.00 14.26           O  \\nATOM    570  NE2 GLN A  69      23.447 -17.857 -24.639  1.00  7.52           N  \\nATOM    571  N   ASP A  70      21.682 -18.609 -19.520  1.00 12.06           N  \\nATOM    572  CA  ASP A  70      22.362 -18.581 -18.205  1.00 13.01           C  \\nATOM    573  C   ASP A  70      21.603 -19.373 -17.141  1.00 13.30           C  \\nATOM    574  O   ASP A  70      22.218 -20.158 -16.423  1.00 13.91           O  \\nATOM    575  CB  ASP A  70      22.656 -17.133 -17.741  1.00 12.93           C  \\nATOM    576  CG  ASP A  70      23.751 -16.485 -18.601  1.00 12.85           C  \\nATOM    577  OD1 ASP A  70      24.358 -17.190 -19.432  1.00 10.38           O  \\nATOM    578  OD2 ASP A  70      23.960 -15.296 -18.478  1.00 15.54           O  \\nATOM    579  N   VAL A  71      20.282 -19.221 -17.121  1.00 13.81           N  \\nATOM    580  CA  VAL A  71      19.446 -19.962 -16.161  1.00 14.32           C  \\nATOM    581  C   VAL A  71      19.507 -21.448 -16.479  1.00 13.97           C  \\nATOM    582  O   VAL A  71      19.792 -22.277 -15.617  1.00 13.66           O  \\nATOM    583  CB  VAL A  71      18.053 -19.421 -16.128  1.00 14.69           C  \\nATOM    584  CG1 VAL A  71      17.122 -20.311 -15.207  1.00 17.08           C  \\nATOM    585  CG2 VAL A  71      18.085 -17.953 -15.713  1.00 13.00           C  \\nATOM    586  N   ASP A  72      19.282 -21.772 -17.752  1.00 13.09           N  \\nATOM    587  CA AASP A  72      19.329 -23.119 -18.221  0.50 12.65           C  \\nATOM    588  CA BASP A  72      19.320 -23.135 -18.192  0.25 12.18           C  \\nATOM    589  C   ASP A  72      20.672 -23.728 -17.839  1.00 13.46           C  \\nATOM    590  O   ASP A  72      20.747 -24.804 -17.204  1.00 13.48           O  \\nATOM    591  CB AASP A  72      19.131 -23.105 -19.725  0.50 12.21           C  \\nATOM    592  CB BASP A  72      19.066 -23.195 -19.680  0.50 10.51           C  \\nATOM    593  CG AASP A  72      18.850 -24.456 -20.279  0.50 15.38           C  \\nATOM    594  CG BASP A  72      18.935 -24.600 -20.185  0.25  9.93           C  \\nATOM    595  OD1AASP A  72      18.703 -25.384 -19.461  0.50 14.46           O  \\nATOM    596  OD1BASP A  72      17.767 -25.017 -20.398  0.25 10.93           O  \\nATOM    597  OD2AASP A  72      18.757 -24.584 -21.537  0.50 17.74           O  \\nATOM    598  OD2BASP A  72      19.987 -25.267 -20.383  0.25  2.00           O  \\nATOM    599  N   ALA A  73      21.753 -23.034 -18.193  1.00 14.64           N  \\nATOM    600  CA  ALA A  73      23.066 -23.541 -17.803  1.00 16.63           C  \\nATOM    601  C   ALA A  73      23.235 -23.723 -16.280  1.00 15.99           C  \\nATOM    602  O   ALA A  73      23.863 -24.709 -15.861  1.00 16.82           O  \\nATOM    603  CB  ALA A  73      24.160 -22.645 -18.298  1.00 18.31           C  \\nATOM    604  N   ALA A  74      22.722 -22.800 -15.474  1.00 15.03           N  \\nATOM    605  CA  ALA A  74      22.859 -22.917 -13.996  1.00 14.63           C  \\nATOM    606  C   ALA A  74      22.242 -24.300 -13.543  1.00 14.71           C  \\nATOM    607  O   ALA A  74      22.849 -25.018 -12.790  1.00 15.11           O  \\nATOM    608  CB  ALA A  74      22.249 -21.719 -13.277  1.00 12.58           C  \\nATOM    609  N   VAL A  75      21.082 -24.664 -14.104  1.00 14.47           N  \\nATOM    610  CA  VAL A  75      20.326 -25.869 -13.679  1.00 15.31           C  \\nATOM    611  C   VAL A  75      21.103 -27.088 -14.098  1.00 16.89           C  \\nATOM    612  O   VAL A  75      21.338 -28.031 -13.300  1.00 16.13           O  \\nATOM    613  CB  VAL A  75      18.931 -25.940 -14.349  1.00 15.57           C  \\nATOM    614  CG1 VAL A  75      18.206 -27.287 -13.927  1.00 12.54           C  \\nATOM    615  CG2 VAL A  75      18.149 -24.774 -13.967  1.00 13.69           C  \\nATOM    616  N   ARG A  76      21.502 -27.052 -15.375  1.00 17.86           N  \\nATOM    617  CA  ARG A  76      22.166 -28.157 -15.972  1.00 18.45           C  \\nATOM    618  C   ARG A  76      23.495 -28.366 -15.231  1.00 18.97           C  \\nATOM    619  O   ARG A  76      23.886 -29.522 -15.042  1.00 18.42           O  \\nATOM    620  CB  ARG A  76      22.347 -27.987 -17.489  1.00 18.37           C  \\nATOM    621  CG  ARG A  76      21.030 -28.084 -18.280  1.00 21.02           C  \\nATOM    622  CD  ARG A  76      20.234 -29.467 -18.062  1.00 23.30           C  \\nATOM    623  NE  ARG A  76      20.859 -30.673 -18.667  1.00 24.78           N  \\nATOM    624  CZ  ARG A  76      20.870 -30.966 -19.981  1.00 24.82           C  \\nATOM    625  NH1 ARG A  76      20.309 -30.137 -20.881  1.00 23.72           N  \\nATOM    626  NH2 ARG A  76      21.417 -32.123 -20.383  1.00 21.50           N  \\nATOM    627  N   GLY A  77      24.123 -27.266 -14.783  1.00 17.52           N  \\nATOM    628  CA  GLY A  77      25.342 -27.371 -13.980  1.00 18.05           C  \\nATOM    629  C   GLY A  77      25.118 -28.051 -12.621  1.00 18.04           C  \\nATOM    630  O   GLY A  77      25.866 -28.978 -12.226  1.00 18.57           O  \\nATOM    631  N   ILE A  78      24.052 -27.641 -11.954  1.00 14.98           N  \\nATOM    632  CA  ILE A  78      23.681 -28.257 -10.693  1.00 15.97           C  \\nATOM    633  C   ILE A  78      23.470 -29.793 -10.905  1.00 16.71           C  \\nATOM    634  O   ILE A  78      24.019 -30.638 -10.151  1.00 16.13           O  \\nATOM    635  CB  ILE A  78      22.387 -27.607 -10.169  1.00 15.31           C  \\nATOM    636  CG1 ILE A  78      22.703 -26.258  -9.543  1.00 13.49           C  \\nATOM    637  CG2 ILE A  78      21.706 -28.544  -9.127  1.00 13.94           C  \\nATOM    638  CD1 ILE A  78      21.429 -25.340  -9.385  1.00 12.53           C  \\nATOM    639  N   LEU A  79      22.708 -30.137 -11.956  1.00 17.70           N  \\nATOM    640  CA  LEU A  79      22.342 -31.549 -12.249  1.00 18.29           C  \\nATOM    641  C   LEU A  79      23.567 -32.381 -12.593  1.00 19.08           C  \\nATOM    642  O   LEU A  79      23.559 -33.554 -12.312  1.00 20.14           O  \\nATOM    643  CB  LEU A  79      21.271 -31.636 -13.343  1.00 16.98           C  \\nATOM    644  CG  LEU A  79      19.942 -30.927 -13.080  1.00 18.32           C  \\nATOM    645  CD1 LEU A  79      18.969 -31.311 -14.196  1.00 20.14           C  \\nATOM    646  CD2 LEU A  79      19.316 -31.280 -11.687  1.00 14.70           C  \\nATOM    647  N   ARG A  80      24.639 -31.761 -13.106  1.00 20.00           N  \\nATOM    648  CA AARG A  80      25.922 -32.396 -13.482  0.50 21.00           C  \\nATOM    649  CA BARG A  80      25.851 -32.517 -13.445  0.50 21.04           C  \\nATOM    650  C   ARG A  80      26.840 -32.580 -12.270  1.00 21.27           C  \\nATOM    651  O   ARG A  80      27.798 -33.332 -12.294  1.00 21.73           O  \\nATOM    652  CB AARG A  80      26.679 -31.500 -14.496  0.50 20.88           C  \\nATOM    653  CB BARG A  80      26.521 -31.955 -14.712  0.50 21.20           C  \\nATOM    654  CG AARG A  80      26.661 -31.978 -15.932  0.50 21.97           C  \\nATOM    655  CG BARG A  80      25.714 -32.242 -15.982  0.50 22.66           C  \\nATOM    656  CD AARG A  80      27.524 -31.088 -16.870  0.50 21.53           C  \\nATOM    657  CD BARG A  80      26.428 -31.725 -17.224  0.50 21.75           C  \\nATOM    658  NE AARG A  80      26.737 -30.102 -17.636  0.50 22.62           N  \\nATOM    659  NE BARG A  80      25.862 -30.471 -17.728  0.50 25.51           N  \\nATOM    660  CZ AARG A  80      26.769 -28.788 -17.456  0.50 17.84           C  \\nATOM    661  CZ BARG A  80      25.006 -30.421 -18.737  0.50 22.61           C  \\nATOM    662  NH1AARG A  80      27.557 -28.243 -16.540  0.50 20.02           N  \\nATOM    663  NH1BARG A  80      24.649 -31.545 -19.324  0.50 24.25           N  \\nATOM    664  NH2AARG A  80      26.024 -28.018 -18.226  0.50 20.52           N  \\nATOM    665  NH2BARG A  80      24.535 -29.263 -19.166  0.50 22.32           N  \\nATOM    666  N   ASN A  81      26.536 -31.869 -11.203  1.00 20.47           N  \\nATOM    667  CA  ASN A  81      27.380 -31.831 -10.030  1.00 18.36           C  \\nATOM    668  C   ASN A  81      26.972 -32.828  -8.945  1.00 16.30           C  \\nATOM    669  O   ASN A  81      25.905 -32.741  -8.334  1.00 16.06           O  \\nATOM    670  CB  ASN A  81      27.447 -30.405  -9.547  1.00 18.17           C  \\nATOM    671  CG  ASN A  81      28.455 -30.186  -8.428  1.00 18.04           C  \\nATOM    672  OD1 ASN A  81      28.467 -30.868  -7.416  1.00 18.71           O  \\nATOM    673  ND2 ASN A  81      29.217 -29.158  -8.563  1.00 16.25           N  \\nATOM    674  N   ALA A  82      27.848 -33.795  -8.728  1.00 16.51           N  \\nATOM    675  CA  ALA A  82      27.607 -34.849  -7.726  1.00 17.01           C  \\nATOM    676  C   ALA A  82      27.338 -34.313  -6.348  1.00 16.74           C  \\nATOM    677  O   ALA A  82      26.596 -34.947  -5.598  1.00 17.60           O  \\nATOM    678  CB  ALA A  82      28.775 -35.854  -7.667  1.00 16.45           C  \\nATOM    679  N   LYS A  83      28.010 -33.219  -5.938  1.00 17.87           N  \\nATOM    680  CA  LYS A  83      27.694 -32.636  -4.634  1.00 18.19           C  \\nATOM    681  C   LYS A  83      26.325 -31.918  -4.610  1.00 16.92           C  \\nATOM    682  O   LYS A  83      25.613 -31.921  -3.576  1.00 15.75           O  \\nATOM    683  CB  LYS A  83      28.770 -31.632  -4.191  1.00 21.02           C  \\nATOM    684  CG  LYS A  83      30.229 -32.140  -3.925  1.00 21.08           C  \\nATOM    685  CD  LYS A  83      30.272 -33.505  -3.162  1.00 25.06           C  \\nATOM    686  CE  LYS A  83      31.717 -34.072  -3.176  0.50 22.78           C  \\nATOM    687  NZ  LYS A  83      31.791 -35.494  -2.660  0.50 21.91           N  \\nATOM    688  N   LEU A  84      25.966 -31.254  -5.698  1.00 15.29           N  \\nATOM    689  CA  LEU A  84      24.751 -30.451  -5.706  1.00 13.58           C  \\nATOM    690  C   LEU A  84      23.466 -31.194  -6.041  1.00 12.55           C  \\nATOM    691  O   LEU A  84      22.428 -30.921  -5.469  1.00 11.18           O  \\nATOM    692  CB  LEU A  84      24.852 -29.184  -6.614  1.00 13.15           C  \\nATOM    693  CG  LEU A  84      26.065 -28.311  -6.204  1.00 15.68           C  \\nATOM    694  CD1 LEU A  84      26.191 -27.075  -7.087  1.00 16.32           C  \\nATOM    695  CD2 LEU A  84      25.995 -27.895  -4.722  1.00 14.11           C  \\nATOM    696  N   LYS A  85      23.515 -32.069  -7.022  1.00 13.06           N  \\nATOM    697  CA  LYS A  85      22.313 -32.704  -7.507  1.00 12.55           C  \\nATOM    698  C   LYS A  85      21.534 -33.396  -6.373  1.00 12.36           C  \\nATOM    699  O   LYS A  85      20.339 -33.227  -6.321  1.00 11.04           O  \\nATOM    700  CB  LYS A  85      22.673 -33.751  -8.539  1.00 12.48           C  \\nATOM    701  CG  LYS A  85      21.472 -34.332  -9.236  1.00 14.44           C  \\nATOM    702  CD  LYS A  85      21.993 -35.262 -10.277  1.00 15.12           C  \\nATOM    703  CE  LYS A  85      20.899 -35.812 -11.231  1.00 21.52           C  \\nATOM    704  NZ  LYS A  85      19.645 -36.159 -10.573  1.00 27.30           N  \\nATOM    705  N   PRO A  86      22.209 -34.190  -5.494  1.00 13.36           N  \\nATOM    706  CA  PRO A  86      21.280 -34.862  -4.535  1.00 15.21           C  \\nATOM    707  C   PRO A  86      20.522 -33.860  -3.645  1.00 13.25           C  \\nATOM    708  O   PRO A  86      19.345 -34.059  -3.320  1.00 16.43           O  \\nATOM    709  CB  PRO A  86      22.178 -35.800  -3.746  1.00 15.18           C  \\nATOM    710  CG  PRO A  86      23.555 -35.276  -3.923  1.00 17.57           C  \\nATOM    711  CD  PRO A  86      23.593 -34.585  -5.289  1.00 14.59           C  \\nATOM    712  N   VAL A  87      21.162 -32.734  -3.333  1.00 12.97           N  \\nATOM    713  CA  VAL A  87      20.538 -31.742  -2.481  1.00 11.84           C  \\nATOM    714  C   VAL A  87      19.384 -31.031  -3.215  1.00 10.58           C  \\nATOM    715  O   VAL A  87      18.285 -30.956  -2.712  1.00 11.03           O  \\nATOM    716  CB  VAL A  87      21.580 -30.741  -1.902  1.00 10.54           C  \\nATOM    717  CG1 VAL A  87      20.855 -29.791  -0.991  1.00  9.28           C  \\nATOM    718  CG2 VAL A  87      22.690 -31.532  -1.118  1.00  8.89           C  \\nATOM    719  N   TYR A  88      19.657 -30.592  -4.441  1.00 11.45           N  \\nATOM    720  CA  TYR A  88      18.735 -29.889  -5.249  1.00 11.18           C  \\nATOM    721  C   TYR A  88      17.515 -30.773  -5.493  1.00 10.20           C  \\nATOM    722  O   TYR A  88      16.374 -30.335  -5.311  1.00 11.44           O  \\nATOM    723  CB  TYR A  88      19.432 -29.606  -6.576  1.00 12.02           C  \\nATOM    724  CG  TYR A  88      18.583 -28.932  -7.610  1.00 13.71           C  \\nATOM    725  CD1 TYR A  88      18.417 -27.497  -7.637  1.00 14.57           C  \\nATOM    726  CD2 TYR A  88      17.953 -29.679  -8.563  1.00 18.15           C  \\nATOM    727  CE1 TYR A  88      17.638 -26.906  -8.601  1.00 14.02           C  \\nATOM    728  CE2 TYR A  88      17.170 -29.092  -9.528  1.00 16.88           C  \\nATOM    729  CZ  TYR A  88      17.019 -27.705  -9.560  1.00 18.17           C  \\nATOM    730  OH  TYR A  88      16.204 -27.127 -10.551  1.00 19.79           O  \\nATOM    731  N   ASP A  89      17.776 -32.049  -5.774  1.00 10.74           N  \\nATOM    732  CA  ASP A  89      16.674 -33.006  -6.065  1.00 12.94           C  \\nATOM    733  C   ASP A  89      15.829 -33.304  -4.823  1.00 12.44           C  \\nATOM    734  O   ASP A  89      14.621 -33.549  -4.925  1.00 13.04           O  \\nATOM    735  CB  ASP A  89      17.194 -34.257  -6.743  1.00 13.12           C  \\nATOM    736  CG  ASP A  89      17.303 -34.074  -8.236  1.00 13.91           C  \\nATOM    737  OD1 ASP A  89      16.892 -33.042  -8.766  1.00 15.52           O  \\nATOM    738  OD2 ASP A  89      17.756 -34.978  -8.898  1.00 21.38           O  \\nATOM    739  N   SER A  90      16.409 -33.106  -3.638  1.00 11.72           N  \\nATOM    740  CA  SER A  90      15.660 -33.220  -2.405  1.00 10.95           C  \\nATOM    741  C   SER A  90      14.740 -32.080  -2.107  1.00 10.69           C  \\nATOM    742  O   SER A  90      13.852 -32.248  -1.280  1.00 12.25           O  \\nATOM    743  CB  SER A  90      16.581 -33.479  -1.198  1.00 12.41           C  \\nATOM    744  OG  SER A  90      17.194 -32.313  -0.763  1.00 11.47           O  \\nATOM    745  N   LEU A  91      14.952 -30.915  -2.737  1.00  9.12           N  \\nATOM    746  CA  LEU A  91      14.219 -29.656  -2.481  1.00 10.06           C  \\nATOM    747  C   LEU A  91      12.899 -29.664  -3.226  1.00 11.73           C  \\nATOM    748  O   LEU A  91      12.775 -30.329  -4.247  1.00 12.75           O  \\nATOM    749  CB  LEU A  91      15.033 -28.380  -2.897  1.00  9.72           C  \\nATOM    750  CG  LEU A  91      16.397 -28.299  -2.172  1.00 10.30           C  \\nATOM    751  CD1 LEU A  91      17.225 -27.138  -2.620  1.00  9.12           C  \\nATOM    752  CD2 LEU A  91      16.127 -28.114  -0.655  1.00  7.71           C  \\nATOM    753  N   ASP A  92      11.901 -29.001  -2.645  1.00  9.35           N  \\nATOM    754  CA  ASP A  92      10.708 -28.583  -3.358  1.00 10.21           C  \\nATOM    755  C   ASP A  92      11.087 -27.496  -4.376  1.00 10.92           C  \\nATOM    756  O   ASP A  92      12.196 -26.961  -4.323  1.00  8.42           O  \\nATOM    757  CB  ASP A  92       9.779 -27.935  -2.344  1.00  9.21           C  \\nATOM    758  CG  ASP A  92      10.462 -26.795  -1.590  1.00 11.69           C  \\nATOM    759  OD1 ASP A  92      10.324 -25.664  -2.069  1.00 11.88           O  \\nATOM    760  OD2 ASP A  92      11.169 -27.048  -0.563  1.00  8.60           O  \\nATOM    761  N   ALA A  93      10.135 -27.105  -5.210  1.00 11.76           N  \\nATOM    762  CA  ALA A  93      10.459 -26.266  -6.361  1.00 11.76           C  \\nATOM    763  C   ALA A  93      10.819 -24.799  -5.973  1.00 12.10           C  \\nATOM    764  O   ALA A  93      11.607 -24.135  -6.660  1.00 13.45           O  \\nATOM    765  CB  ALA A  93       9.300 -26.308  -7.353  1.00 12.18           C  \\nATOM    766  N   VAL A  94      10.265 -24.324  -4.887  1.00 10.43           N  \\nATOM    767  CA  VAL A  94      10.563 -22.938  -4.494  1.00 10.59           C  \\nATOM    768  C   VAL A  94      12.014 -22.930  -3.997  1.00 11.05           C  \\nATOM    769  O   VAL A  94      12.808 -22.118  -4.468  1.00 10.69           O  \\nATOM    770  CB  VAL A  94       9.579 -22.389  -3.465  1.00 10.05           C  \\nATOM    771  CG1 VAL A  94       9.988 -20.922  -3.089  1.00 11.85           C  \\nATOM    772  CG2 VAL A  94       8.204 -22.392  -4.010  1.00 12.61           C  \\nATOM    773  N   ARG A  95      12.371 -23.875  -3.110  1.00  8.92           N  \\nATOM    774  CA  ARG A  95      13.760 -23.926  -2.600  1.00  9.62           C  \\nATOM    775  C   ARG A  95      14.742 -24.247  -3.756  1.00  9.72           C  \\nATOM    776  O   ARG A  95      15.857 -23.756  -3.748  1.00  8.79           O  \\nATOM    777  CB  ARG A  95      13.836 -24.966  -1.488  1.00 11.89           C  \\nATOM    778  CG  ARG A  95      13.277 -24.382  -0.244  1.00 10.80           C  \\nATOM    779  CD  ARG A  95      13.419 -25.320   0.867  1.00 11.93           C  \\nATOM    780  NE  ARG A  95      12.876 -24.781   2.106  1.00 11.55           N  \\nATOM    781  CZ  ARG A  95      11.655 -25.119   2.579  1.00 11.32           C  \\nATOM    782  NH1 ARG A  95      10.848 -25.885   1.879  1.00 12.81           N  \\nATOM    783  NH2 ARG A  95      11.211 -24.679   3.739  1.00 11.15           N  \\nATOM    784  N   ARG A  96      14.345 -25.065  -4.745  1.00  9.12           N  \\nATOM    785  CA AARG A  96      15.185 -25.273  -5.950  0.50  8.63           C  \\nATOM    786  CA BARG A  96      15.176 -25.279  -5.959  0.50  8.79           C  \\nATOM    787  C   ARG A  96      15.495 -23.932  -6.656  1.00  7.08           C  \\nATOM    788  O   ARG A  96      16.568 -23.755  -7.190  1.00  8.19           O  \\nATOM    789  CB AARG A  96      14.515 -26.228  -6.922  0.50  8.23           C  \\nATOM    790  CB BARG A  96      14.503 -26.246  -6.932  0.50  8.34           C  \\nATOM    791  CG AARG A  96      14.768 -27.705  -6.629  0.50  9.50           C  \\nATOM    792  CG BARG A  96      14.639 -27.724  -6.525  0.50 10.32           C  \\nATOM    793  CD AARG A  96      13.742 -28.551  -7.424  0.50 10.51           C  \\nATOM    794  CD BARG A  96      14.291 -28.742  -7.662  0.50  9.14           C  \\nATOM    795  NE AARG A  96      13.699 -29.939  -6.952  0.50  6.20           N  \\nATOM    796  NE BARG A  96      13.056 -28.510  -8.408  0.50  9.17           N  \\nATOM    797  CZ AARG A  96      13.153 -30.933  -7.645  0.50  6.83           C  \\nATOM    798  CZ BARG A  96      11.821 -28.918  -8.093  0.50 11.58           C  \\nATOM    799  NH1AARG A  96      12.587 -30.642  -8.813  0.50  8.36           N  \\nATOM    800  NH1BARG A  96      11.577 -29.569  -6.966  0.50 10.45           N  \\nATOM    801  NH2AARG A  96      13.157 -32.198  -7.165  0.50  5.25           N  \\nATOM    802  NH2BARG A  96      10.794 -28.646  -8.925  0.50 11.70           N  \\nATOM    803  N   CYS A  97      14.542 -22.988  -6.653  1.00  8.69           N  \\nATOM    804  CA  CYS A  97      14.791 -21.653  -7.256  1.00  8.03           C  \\nATOM    805  C   CYS A  97      15.864 -20.875  -6.507  1.00  8.90           C  \\nATOM    806  O   CYS A  97      16.715 -20.228  -7.101  1.00 10.59           O  \\nATOM    807  CB  CYS A  97      13.521 -20.831  -7.294  1.00  7.91           C  \\nATOM    808  SG  CYS A  97      12.333 -21.430  -8.509  1.00 12.20           S  \\nATOM    809  N   ALA A  98      15.833 -21.000  -5.191  1.00  9.06           N  \\nATOM    810  CA  ALA A  98      16.902 -20.479  -4.327  1.00  8.80           C  \\nATOM    811  C   ALA A  98      18.283 -21.031  -4.676  1.00  8.73           C  \\nATOM    812  O   ALA A  98      19.300 -20.264  -4.795  1.00 10.13           O  \\nATOM    813  CB  ALA A  98      16.518 -20.760  -2.798  1.00  5.17           C  \\nATOM    814  N   ALA A  99      18.337 -22.353  -4.875  1.00  8.14           N  \\nATOM    815  CA  ALA A  99      19.545 -22.977  -5.293  1.00  9.46           C  \\nATOM    816  C   ALA A  99      20.063 -22.509  -6.628  1.00  8.72           C  \\nATOM    817  O   ALA A  99      21.288 -22.348  -6.795  1.00  9.14           O  \\nATOM    818  CB  ALA A  99      19.425 -24.530  -5.246  1.00  7.90           C  \\nATOM    819  N   ILE A 100      19.163 -22.333  -7.599  1.00 10.00           N  \\nATOM    820  CA  ILE A 100      19.533 -21.873  -8.925  1.00 11.25           C  \\nATOM    821  C   ILE A 100      20.058 -20.454  -8.854  1.00 10.47           C  \\nATOM    822  O   ILE A 100      21.064 -20.119  -9.507  1.00 10.91           O  \\nATOM    823  CB  ILE A 100      18.330 -21.935  -9.943  1.00 11.12           C  \\nATOM    824  CG1 ILE A 100      17.993 -23.392 -10.240  1.00 11.84           C  \\nATOM    825  CG2 ILE A 100      18.754 -21.252 -11.335  1.00 12.33           C  \\nATOM    826  CD1 ILE A 100      16.597 -23.601 -10.710  1.00 10.89           C  \\nATOM    827  N   ASN A 101      19.396 -19.643  -8.053  1.00  9.60           N  \\nATOM    828  CA  ASN A 101      19.780 -18.251  -7.858  1.00  9.45           C  \\nATOM    829  C   ASN A 101      21.190 -18.228  -7.300  1.00  9.85           C  \\nATOM    830  O   ASN A 101      22.059 -17.570  -7.844  1.00  7.36           O  \\nATOM    831  CB  ASN A 101      18.757 -17.616  -6.863  1.00  9.79           C  \\nATOM    832  CG  ASN A 101      18.899 -16.124  -6.756  1.00 11.86           C  \\nATOM    833  OD1 ASN A 101      20.001 -15.604  -6.532  1.00  8.31           O  \\nATOM    834  ND2 ASN A 101      17.803 -15.423  -6.923  1.00  8.50           N  \\nATOM    835  N   GLN A 102      21.432 -18.962  -6.208  1.00 10.12           N  \\nATOM    836  CA AGLN A 102      22.773 -19.016  -5.648  0.50 10.25           C  \\nATOM    837  CA BGLN A 102      22.780 -19.057  -5.640  0.50 10.50           C  \\nATOM    838  C   GLN A 102      23.869 -19.402  -6.676  1.00 11.18           C  \\nATOM    839  O   GLN A 102      24.889 -18.719  -6.760  1.00 10.66           O  \\nATOM    840  CB AGLN A 102      22.835 -19.912  -4.426  0.50 10.09           C  \\nATOM    841  CB BGLN A 102      22.815 -20.067  -4.510  0.50 10.33           C  \\nATOM    842  CG AGLN A 102      23.964 -19.497  -3.556  0.50  7.11           C  \\nATOM    843  CG BGLN A 102      22.822 -19.432  -3.151  0.50  9.08           C  \\nATOM    844  CD AGLN A 102      24.309 -20.473  -2.472  0.50  6.99           C  \\nATOM    845  CD BGLN A 102      23.305 -20.387  -2.078  0.50  7.94           C  \\nATOM    846  OE1AGLN A 102      24.096 -21.672  -2.600  0.50 12.92           O  \\nATOM    847  OE1BGLN A 102      22.987 -21.565  -2.092  0.50 16.10           O  \\nATOM    848  NE2AGLN A 102      24.931 -19.974  -1.427  0.50  7.77           N  \\nATOM    849  NE2BGLN A 102      24.063 -19.892  -1.164  0.50 10.57           N  \\nATOM    850  N   VAL A 103      23.649 -20.480  -7.431  1.00 10.87           N  \\nATOM    851  CA  VAL A 103      24.582 -20.956  -8.454  1.00 12.09           C  \\nATOM    852  C   VAL A 103      24.760 -19.919  -9.574  1.00 13.15           C  \\nATOM    853  O   VAL A 103      25.904 -19.673  -9.954  1.00 15.38           O  \\nATOM    854  CB  VAL A 103      24.236 -22.345  -8.974  1.00 13.34           C  \\nATOM    855  CG1 VAL A 103      25.129 -22.758 -10.142  1.00 14.34           C  \\nATOM    856  CG2 VAL A 103      24.491 -23.354  -7.840  1.00 11.72           C  \\nATOM    857  N   PHE A 104      23.663 -19.274 -10.027  1.00 12.45           N  \\nATOM    858  CA  PHE A 104      23.679 -18.145 -10.975  1.00 10.68           C  \\nATOM    859  C   PHE A 104      24.623 -17.044 -10.501  1.00 12.64           C  \\nATOM    860  O   PHE A 104      25.468 -16.555 -11.272  1.00 11.51           O  \\nATOM    861  CB  PHE A 104      22.257 -17.576 -11.180  1.00 11.00           C  \\nATOM    862  CG  PHE A 104      22.122 -16.652 -12.320  1.00  8.36           C  \\nATOM    863  CD1 PHE A 104      21.583 -17.092 -13.538  1.00 11.61           C  \\nATOM    864  CD2 PHE A 104      22.466 -15.320 -12.194  1.00  8.67           C  \\nATOM    865  CE1 PHE A 104      21.421 -16.175 -14.612  1.00  9.36           C  \\nATOM    866  CE2 PHE A 104      22.340 -14.431 -13.254  1.00 13.27           C  \\nATOM    867  CZ  PHE A 104      21.822 -14.865 -14.465  1.00 13.38           C  \\nATOM    868  N   GLN A 105      24.502 -16.649  -9.236  1.00 12.72           N  \\nATOM    869  CA  GLN A 105      25.319 -15.563  -8.728  1.00 15.86           C  \\nATOM    870  C   GLN A 105      26.751 -16.004  -8.510  1.00 17.35           C  \\nATOM    871  O   GLN A 105      27.691 -15.248  -8.830  1.00 17.48           O  \\nATOM    872  CB  GLN A 105      24.745 -15.058  -7.405  1.00 15.76           C  \\nATOM    873  CG  GLN A 105      25.578 -13.964  -6.774  1.00 14.27           C  \\nATOM    874  CD  GLN A 105      24.990 -13.465  -5.475  1.00 13.91           C  \\nATOM    875  OE1 GLN A 105      24.073 -14.069  -4.896  1.00 12.77           O  \\nATOM    876  NE2 GLN A 105      25.583 -12.422  -4.952  1.00 12.88           N  \\nATOM    877  N   MET A 106      26.911 -17.182  -7.927  1.00 16.86           N  \\nATOM    878  CA  MET A 106      28.168 -17.555  -7.304  1.00 19.93           C  \\nATOM    879  C   MET A 106      28.992 -18.528  -8.154  1.00 20.32           C  \\nATOM    880  O   MET A 106      30.235 -18.672  -7.947  1.00 19.35           O  \\nATOM    881  CB  MET A 106      27.924 -18.205  -5.934  1.00 18.60           C  \\nATOM    882  CG  MET A 106      27.386 -17.295  -4.850  1.00 21.31           C  \\nATOM    883  SD  MET A 106      27.471 -18.195  -3.241  1.00 24.31           S  \\nATOM    884  CE  MET A 106      29.254 -18.219  -3.077  1.00 21.71           C  \\nATOM    885  N   GLY A 107      28.305 -19.212  -9.072  1.00 19.11           N  \\nATOM    886  CA  GLY A 107      28.899 -20.293  -9.766  1.00 21.79           C  \\nATOM    887  C   GLY A 107      28.906 -21.551  -8.895  1.00 24.35           C  \\nATOM    888  O   GLY A 107      28.893 -21.551  -7.636  1.00 24.08           O  \\nATOM    889  N   GLU A 108      28.923 -22.661  -9.585  1.00 26.03           N  \\nATOM    890  CA  GLU A 108      28.804 -23.952  -8.941  1.00 27.70           C  \\nATOM    891  C   GLU A 108      30.069 -24.412  -8.154  1.00 28.39           C  \\nATOM    892  O   GLU A 108      29.948 -25.152  -7.168  1.00 30.18           O  \\nATOM    893  CB  GLU A 108      28.274 -24.891 -10.014  1.00 28.40           C  \\nATOM    894  CG  GLU A 108      28.614 -26.283  -9.905  1.00 30.02           C  \\nATOM    895  CD  GLU A 108      28.600 -26.900 -11.263  1.00 32.60           C  \\nATOM    896  OE1 GLU A 108      27.873 -26.389 -12.154  1.00 29.69           O  \\nATOM    897  OE2 GLU A 108      29.348 -27.896 -11.440  1.00 38.04           O  \\nATOM    898  N   THR A 109      31.250 -23.886  -8.486  0.50 27.47           N  \\nATOM    899  CA  THR A 109      32.414 -23.973  -7.598  0.50 26.96           C  \\nATOM    900  C   THR A 109      32.076 -23.316  -6.277  0.50 27.19           C  \\nATOM    901  O   THR A 109      32.057 -23.938  -5.197  0.50 26.88           O  \\nATOM    902  CB  THR A 109      33.597 -23.192  -8.190  0.50 26.80           C  \\nATOM    903  OG1 THR A 109      34.004 -23.821  -9.398  0.50 25.74           O  \\nATOM    904  CG2 THR A 109      34.768 -23.122  -7.219  0.50 26.77           C  \\nATOM    905  N   GLY A 110      31.829 -22.023  -6.405  1.00 27.36           N  \\nATOM    906  CA  GLY A 110      31.351 -21.143  -5.339  1.00 27.49           C  \\nATOM    907  C   GLY A 110      30.484 -21.680  -4.232  1.00 26.84           C  \\nATOM    908  O   GLY A 110      30.497 -21.143  -3.107  0.50 26.84           O  \\nATOM    909  N   VAL A 111      29.723 -22.732  -4.522  1.00 26.45           N  \\nATOM    910  CA  VAL A 111      28.772 -23.259  -3.532  1.00 26.47           C  \\nATOM    911  C   VAL A 111      28.878 -24.772  -3.281  1.00 25.98           C  \\nATOM    912  O   VAL A 111      28.406 -25.246  -2.229  1.00 26.31           O  \\nATOM    913  CB  VAL A 111      27.296 -22.956  -3.901  1.00 26.12           C  \\nATOM    914  CG1 VAL A 111      27.140 -21.547  -4.341  1.00 27.99           C  \\nATOM    915  CG2 VAL A 111      26.880 -23.853  -5.024  1.00 28.79           C  \\nATOM    916  N   ALA A 112      29.420 -25.534  -4.240  0.50 23.07           N  \\nATOM    917  CA  ALA A 112      29.546 -26.957  -4.037  0.50 21.62           C  \\nATOM    918  C   ALA A 112      30.355 -27.117  -2.781  0.50 20.44           C  \\nATOM    919  O   ALA A 112      30.278 -28.151  -2.113  0.50 19.71           O  \\nATOM    920  CB  ALA A 112      30.236 -27.620  -5.226  0.50 20.80           C  \\nATOM    921  N   GLY A 113      31.132 -26.077  -2.463  0.50 20.03           N  \\nATOM    922  CA  GLY A 113      31.970 -26.087  -1.267  0.50 20.03           C  \\nATOM    923  C   GLY A 113      31.194 -25.989   0.020  0.50 20.96           C  \\nATOM    924  O   GLY A 113      31.684 -26.463   1.023  0.50 21.46           O  \\nATOM    925  N   PHE A 114      29.986 -25.378  -0.004  0.50 21.11           N  \\nATOM    926  CA  PHE A 114      29.126 -25.087   1.195  1.00 20.65           C  \\nATOM    927  C   PHE A 114      28.571 -26.368   1.851  1.00 20.80           C  \\nATOM    928  O   PHE A 114      27.332 -26.502   2.086  1.00 20.43           O  \\nATOM    929  CB  PHE A 114      27.883 -24.332   0.771  1.00 20.55           C  \\nATOM    930  CG  PHE A 114      28.052 -22.879   0.652  1.00 21.45           C  \\nATOM    931  CD1 PHE A 114      29.220 -22.324   0.121  1.00 22.63           C  \\nATOM    932  CD2 PHE A 114      27.034 -22.035   1.068  1.00 21.02           C  \\nATOM    933  CE1 PHE A 114      29.361 -20.954  -0.006  1.00 22.30           C  \\nATOM    934  CE2 PHE A 114      27.166 -20.649   0.963  1.00 21.56           C  \\nATOM    935  CZ  PHE A 114      28.325 -20.124   0.398  1.00 17.62           C  \\nATOM    936  N   THR A 115      29.475 -27.271   2.169  1.00 20.48           N  \\nATOM    937  CA  THR A 115      29.179 -28.577   2.662  1.00 20.41           C  \\nATOM    938  C   THR A 115      28.165 -28.563   3.794  1.00 20.50           C  \\nATOM    939  O   THR A 115      27.201 -29.262   3.708  1.00 20.84           O  \\nATOM    940  CB  THR A 115      30.501 -29.245   3.078  1.00 20.89           C  \\nATOM    941  OG1 THR A 115      31.424 -29.087   1.987  1.00 23.33           O  \\nATOM    942  CG2 THR A 115      30.335 -30.728   3.347  1.00 18.66           C  \\nATOM    943  N   ASN A 116      28.371 -27.746   4.839  1.00 18.21           N  \\nATOM    944  CA  ASN A 116      27.469 -27.822   5.988  1.00 17.50           C  \\nATOM    945  C   ASN A 116      26.065 -27.346   5.652  1.00 13.78           C  \\nATOM    946  O   ASN A 116      25.105 -27.922   6.095  1.00 13.64           O  \\nATOM    947  CB  ASN A 116      28.106 -27.124   7.250  1.00 17.58           C  \\nATOM    948  CG  ASN A 116      29.504 -27.696   7.556  1.00 24.31           C  \\nATOM    949  OD1 ASN A 116      29.717 -28.907   7.411  1.00 29.56           O  \\nATOM    950  ND2 ASN A 116      30.470 -26.841   7.880  1.00 20.62           N  \\nATOM    951  N   SER A 117      25.952 -26.296   4.848  1.00 14.67           N  \\nATOM    952  CA  SER A 117      24.664 -25.789   4.444  1.00 12.70           C  \\nATOM    953  C   SER A 117      23.935 -26.835   3.589  1.00 13.95           C  \\nATOM    954  O   SER A 117      22.726 -26.999   3.751  1.00 11.13           O  \\nATOM    955  CB  SER A 117      24.749 -24.492   3.610  1.00 13.93           C  \\nATOM    956  OG  SER A 117      24.987 -23.395   4.421  1.00 16.91           O  \\nATOM    957  N   LEU A 118      24.680 -27.490   2.672  1.00 12.01           N  \\nATOM    958  CA  LEU A 118      24.140 -28.552   1.825  1.00 11.90           C  \\nATOM    959  C   LEU A 118      23.588 -29.687   2.682  1.00 12.14           C  \\nATOM    960  O   LEU A 118      22.451 -30.094   2.500  1.00 13.71           O  \\nATOM    961  CB  LEU A 118      25.203 -29.056   0.878  1.00 13.88           C  \\nATOM    962  CG  LEU A 118      25.595 -28.144  -0.309  1.00 12.09           C  \\nATOM    963  CD1 LEU A 118      26.960 -28.688  -0.910  1.00 13.87           C  \\nATOM    964  CD2 LEU A 118      24.462 -28.057  -1.353  1.00 16.87           C  \\nATOM    965  N   ARG A 119      24.386 -30.183   3.633  1.00 11.98           N  \\nATOM    966  CA  ARG A 119      23.886 -31.245   4.515  1.00 11.24           C  \\nATOM    967  C   ARG A 119      22.593 -30.742   5.202  1.00 11.22           C  \\nATOM    968  O   ARG A 119      21.570 -31.410   5.227  1.00  8.74           O  \\nATOM    969  CB  ARG A 119      24.954 -31.713   5.499  1.00 11.08           C  \\nATOM    970  CG  ARG A 119      24.600 -32.960   6.276  1.00 10.79           C  \\nATOM    971  CD  ARG A 119      25.527 -33.168   7.535  1.00 16.78           C  \\nATOM    972  NE  ARG A 119      25.625 -31.919   8.307  1.00 21.45           N  \\nATOM    973  CZ  ARG A 119      26.668 -31.083   8.324  1.00 29.04           C  \\nATOM    974  NH1 ARG A 119      26.543 -29.952   9.036  1.00 30.09           N  \\nATOM    975  NH2 ARG A 119      27.812 -31.376   7.662  1.00 25.65           N  \\nATOM    976  N   MET A 120      22.583 -29.522   5.725  1.00  9.62           N  \\nATOM    977  CA  MET A 120      21.418 -29.091   6.484  1.00 11.98           C  \\nATOM    978  C   MET A 120      20.134 -28.959   5.604  1.00 11.50           C  \\nATOM    979  O   MET A 120      19.002 -29.260   6.022  1.00  9.90           O  \\nATOM    980  CB  MET A 120      21.732 -27.796   7.222  1.00 11.41           C  \\nATOM    981  CG  MET A 120      22.750 -28.005   8.432  1.00 14.40           C  \\nATOM    982  SD  MET A 120      23.272 -26.344   8.882  1.00 16.62           S  \\nATOM    983  CE  MET A 120      24.670 -26.596   9.954  1.00 12.89           C  \\nATOM    984  N   LEU A 121      20.353 -28.505   4.371  1.00  8.95           N  \\nATOM    985  CA  LEU A 121      19.268 -28.354   3.446  1.00 10.95           C  \\nATOM    986  C   LEU A 121      18.731 -29.725   3.085  1.00  9.95           C  \\nATOM    987  O   LEU A 121      17.498 -29.930   3.091  1.00 10.79           O  \\nATOM    988  CB  LEU A 121      19.741 -27.609   2.202  1.00  9.04           C  \\nATOM    989  CG  LEU A 121      19.936 -26.112   2.375  1.00 11.90           C  \\nATOM    990  CD1 LEU A 121      20.679 -25.667   1.152  1.00 13.70           C  \\nATOM    991  CD2 LEU A 121      18.519 -25.356   2.591  1.00 11.27           C  \\nATOM    992  N   GLN A 122      19.663 -30.658   2.845  1.00 10.83           N  \\nATOM    993  CA  GLN A 122      19.257 -32.019   2.510  1.00 12.46           C  \\nATOM    994  C   GLN A 122      18.462 -32.615   3.648  1.00 12.54           C  \\nATOM    995  O   GLN A 122      17.474 -33.322   3.407  1.00 14.71           O  \\nATOM    996  CB  GLN A 122      20.407 -32.970   2.112  1.00 12.14           C  \\nATOM    997  CG  GLN A 122      19.742 -34.131   1.363  1.00 18.62           C  \\nATOM    998  CD  GLN A 122      20.606 -35.004   0.544  1.00 24.30           C  \\nATOM    999  OE1 GLN A 122      21.807 -34.819   0.482  1.00 27.12           O  \\nATOM   1000  NE2 GLN A 122      19.977 -36.021  -0.112  1.00 29.08           N  \\nATOM   1001  N   GLN A 123      18.911 -32.317   4.870  1.00 10.26           N  \\nATOM   1002  CA  GLN A 123      18.208 -32.763   6.077  1.00 12.09           C  \\nATOM   1003  C   GLN A 123      16.931 -32.015   6.330  1.00 10.49           C  \\nATOM   1004  O   GLN A 123      16.200 -32.435   7.234  1.00 10.22           O  \\nATOM   1005  CB  GLN A 123      19.106 -32.643   7.291  1.00 12.65           C  \\nATOM   1006  CG  GLN A 123      20.318 -33.565   7.214  1.00 14.54           C  \\nATOM   1007  CD  GLN A 123      21.269 -33.210   8.330  1.00 20.20           C  \\nATOM   1008  OE1 GLN A 123      21.588 -32.053   8.569  1.00 23.54           O  \\nATOM   1009  NE2 GLN A 123      21.653 -34.202   9.077  1.00 21.25           N  \\nATOM   1010  N   LYS A 124      16.695 -30.900   5.600  1.00  8.77           N  \\nATOM   1011  CA  LYS A 124      15.551 -30.031   5.775  1.00  9.57           C  \\nATOM   1012  C   LYS A 124      15.472 -29.396   7.157  1.00 10.32           C  \\nATOM   1013  O   LYS A 124      14.365 -29.133   7.691  1.00  8.99           O  \\nATOM   1014  CB  LYS A 124      14.224 -30.803   5.496  1.00 10.84           C  \\nATOM   1015  CG  LYS A 124      14.247 -31.517   4.127  1.00 10.03           C  \\nATOM   1016  CD  LYS A 124      12.790 -31.774   3.726  1.00 14.12           C  \\nATOM   1017  CE  LYS A 124      12.723 -32.564   2.425  1.00 13.03           C  \\nATOM   1018  NZ  LYS A 124      13.073 -31.565   1.389  1.00 11.75           N  \\nATOM   1019  N   ARG A 125      16.657 -29.170   7.740  1.00 11.02           N  \\nATOM   1020  CA  ARG A 125      16.816 -28.343   8.953  1.00 11.19           C  \\nATOM   1021  C   ARG A 125      16.901 -26.896   8.502  1.00 10.83           C  \\nATOM   1022  O   ARG A 125      17.994 -26.317   8.404  1.00  9.31           O  \\nATOM   1023  CB  ARG A 125      18.113 -28.762   9.609  1.00 11.56           C  \\nATOM   1024  CG  ARG A 125      18.068 -30.214  10.018  1.00 14.82           C  \\nATOM   1025  CD  ARG A 125      19.232 -30.566  10.788  1.00 17.30           C  \\nATOM   1026  NE  ARG A 125      18.951 -31.901  11.151  1.00 22.23           N  \\nATOM   1027  CZ  ARG A 125      19.706 -32.652  11.923  1.00 24.26           C  \\nATOM   1028  NH1 ARG A 125      20.837 -32.148  12.432  1.00 24.36           N  \\nATOM   1029  NH2 ARG A 125      19.320 -33.899  12.188  1.00 20.48           N  \\nATOM   1030  N   TRP A 126      15.746 -26.337   8.198  1.00 11.50           N  \\nATOM   1031  CA  TRP A 126      15.685 -25.119   7.433  1.00 11.31           C  \\nATOM   1032  C   TRP A 126      16.275 -23.953   8.184  1.00 10.57           C  \\nATOM   1033  O   TRP A 126      17.036 -23.165   7.611  1.00 10.01           O  \\nATOM   1034  CB  TRP A 126      14.257 -24.802   7.082  1.00 10.69           C  \\nATOM   1035  CG  TRP A 126      13.613 -25.871   6.252  1.00 10.97           C  \\nATOM   1036  CD1 TRP A 126      12.358 -26.454   6.493  1.00 10.96           C  \\nATOM   1037  CD2 TRP A 126      14.107 -26.481   5.039  1.00  8.18           C  \\nATOM   1038  NE1 TRP A 126      12.061 -27.350   5.497  1.00  7.24           N  \\nATOM   1039  CE2 TRP A 126      13.098 -27.377   4.586  1.00  7.76           C  \\nATOM   1040  CE3 TRP A 126      15.290 -26.325   4.258  1.00  8.21           C  \\nATOM   1041  CZ2 TRP A 126      13.245 -28.152   3.432  1.00  9.89           C  \\nATOM   1042  CZ3 TRP A 126      15.435 -27.102   3.119  1.00 11.23           C  \\nATOM   1043  CH2 TRP A 126      14.409 -28.011   2.710  1.00 12.37           C  \\nATOM   1044  N   ASP A 127      15.907 -23.826   9.446  1.00 10.56           N  \\nATOM   1045  CA  ASP A 127      16.403 -22.699  10.270  1.00 11.21           C  \\nATOM   1046  C   ASP A 127      17.898 -22.777  10.490  1.00 12.06           C  \\nATOM   1047  O   ASP A 127      18.585 -21.791  10.363  1.00 10.46           O  \\nATOM   1048  CB  ASP A 127      15.672 -22.650  11.597  1.00 11.48           C  \\nATOM   1049  CG  ASP A 127      14.328 -21.976  11.482  1.00 13.96           C  \\nATOM   1050  OD1 ASP A 127      13.703 -21.980  10.412  1.00 16.32           O  \\nATOM   1051  OD2 ASP A 127      13.868 -21.460  12.516  1.00 16.07           O  \\nATOM   1052  N   GLU A 128      18.406 -23.969  10.754  1.00 11.28           N  \\nATOM   1053  CA  GLU A 128      19.822 -24.183  10.852  1.00 10.84           C  \\nATOM   1054  C   GLU A 128      20.590 -23.895   9.551  1.00  9.95           C  \\nATOM   1055  O   GLU A 128      21.689 -23.278   9.605  1.00 10.56           O  \\nATOM   1056  CB  GLU A 128      20.059 -25.637  11.273  1.00 12.35           C  \\nATOM   1057  CG  GLU A 128      19.654 -25.892  12.743  1.00 14.29           C  \\nATOM   1058  CD  GLU A 128      19.518 -27.371  13.042  1.00 23.59           C  \\nATOM   1059  OE1 GLU A 128      20.571 -27.988  13.244  1.00 28.03           O  \\nATOM   1060  OE2 GLU A 128      18.393 -27.936  13.004  1.00 22.82           O  \\nATOM   1061  N   ALA A 129      20.059 -24.427   8.412  1.00  9.52           N  \\nATOM   1062  CA  ALA A 129      20.614 -24.150   7.121  1.00  8.08           C  \\nATOM   1063  C   ALA A 129      20.664 -22.660   6.960  1.00  9.66           C  \\nATOM   1064  O   ALA A 129      21.700 -22.135   6.548  1.00 10.47           O  \\nATOM   1065  CB  ALA A 129      19.752 -24.760   5.994  1.00  9.66           C  \\nATOM   1066  N   ALA A 130      19.540 -21.985   7.223  1.00  8.59           N  \\nATOM   1067  CA  ALA A 130      19.482 -20.501   7.031  1.00  9.27           C  \\nATOM   1068  C   ALA A 130      20.574 -19.751   7.877  1.00 11.55           C  \\nATOM   1069  O   ALA A 130      21.278 -18.835   7.360  1.00  9.06           O  \\nATOM   1070  CB  ALA A 130      18.069 -19.952   7.273  1.00 11.90           C  \\nATOM   1071  N   VAL A 131      20.722 -20.142   9.168  1.00  9.05           N  \\nATOM   1072  CA  VAL A 131      21.816 -19.616   9.977  1.00  9.62           C  \\nATOM   1073  C   VAL A 131      23.230 -19.906   9.329  1.00 10.40           C  \\nATOM   1074  O   VAL A 131      24.079 -18.998   9.194  1.00 11.43           O  \\nATOM   1075  CB  VAL A 131      21.717 -20.155  11.429  1.00  9.12           C  \\nATOM   1076  CG1 VAL A 131      23.013 -19.853  12.229  1.00  8.74           C  \\nATOM   1077  CG2 VAL A 131      20.483 -19.699  12.090  1.00  7.97           C  \\nATOM   1078  N   ASN A 132      23.468 -21.140   8.902  1.00  8.63           N  \\nATOM   1079  CA  ASN A 132      24.738 -21.475   8.298  1.00  9.35           C  \\nATOM   1080  C   ASN A 132      25.009 -20.676   6.989  1.00 10.31           C  \\nATOM   1081  O   ASN A 132      26.130 -20.183   6.752  1.00 11.19           O  \\nATOM   1082  CB  ASN A 132      24.859 -22.983   8.098  1.00 10.23           C  \\nATOM   1083  CG  ASN A 132      26.243 -23.402   7.634  1.00  9.00           C  \\nATOM   1084  OD1 ASN A 132      26.518 -23.466   6.454  1.00 10.71           O  \\nATOM   1085  ND2 ASN A 132      27.157 -23.579   8.585  1.00 12.84           N  \\nATOM   1086  N   LEU A 133      23.994 -20.536   6.159  1.00 10.56           N  \\nATOM   1087  CA  LEU A 133      24.183 -19.848   4.879  1.00 10.42           C  \\nATOM   1088  C   LEU A 133      24.692 -18.414   5.076  1.00 11.53           C  \\nATOM   1089  O   LEU A 133      25.361 -17.880   4.204  1.00  9.09           O  \\nATOM   1090  CB  LEU A 133      22.847 -19.880   4.082  1.00 12.47           C  \\nATOM   1091  CG  LEU A 133      22.511 -21.243   3.411  1.00 11.75           C  \\nATOM   1092  CD1 LEU A 133      21.076 -21.166   2.998  1.00 14.40           C  \\nATOM   1093  CD2 LEU A 133      23.509 -21.430   2.218  1.00 10.18           C  \\nATOM   1094  N   ALA A 134      24.244 -17.761   6.164  1.00  9.86           N  \\nATOM   1095  CA  ALA A 134      24.515 -16.342   6.376  1.00 11.13           C  \\nATOM   1096  C   ALA A 134      25.937 -16.135   6.860  1.00 10.53           C  \\nATOM   1097  O   ALA A 134      26.468 -15.019   6.763  1.00 13.61           O  \\nATOM   1098  CB  ALA A 134      23.540 -15.727   7.359  1.00  6.79           C  \\nATOM   1099  N   LYS A 135      26.521 -17.176   7.420  1.00 10.88           N  \\nATOM   1100  CA  LYS A 135      27.938 -17.210   7.824  1.00 12.29           C  \\nATOM   1101  C   LYS A 135      28.867 -17.317   6.622  1.00 10.63           C  \\nATOM   1102  O   LYS A 135      29.602 -18.282   6.499  1.00 11.00           O  \\nATOM   1103  CB  LYS A 135      28.212 -18.324   8.874  1.00 10.79           C  \\nATOM   1104  CG  LYS A 135      27.435 -18.174  10.139  1.00 12.16           C  \\nATOM   1105  CD  LYS A 135      27.536 -19.419  11.051  1.00 14.53           C  \\nATOM   1106  CE  LYS A 135      27.007 -19.193  12.427  0.50 14.32           C  \\nATOM   1107  NZ  LYS A 135      26.869 -20.512  13.183  0.50  7.91           N  \\nATOM   1108  N   SER A 136      28.856 -16.325   5.707  1.00  9.25           N  \\nATOM   1109  CA  SER A 136      29.565 -16.487   4.458  1.00  7.74           C  \\nATOM   1110  C   SER A 136      29.969 -15.082   3.896  1.00  8.32           C  \\nATOM   1111  O   SER A 136      29.318 -14.072   4.224  1.00  5.92           O  \\nATOM   1112  CB  SER A 136      28.638 -17.216   3.471  1.00  6.70           C  \\nATOM   1113  OG  SER A 136      27.458 -16.399   3.154  1.00  7.37           O  \\nATOM   1114  N   ARG A 137      31.044 -15.062   3.103  1.00  9.64           N  \\nATOM   1115  CA  ARG A 137      31.454 -13.895   2.335  1.00  9.18           C  \\nATOM   1116  C   ARG A 137      30.303 -13.518   1.444  1.00  9.66           C  \\nATOM   1117  O   ARG A 137      29.933 -12.374   1.386  1.00 10.57           O  \\nATOM   1118  CB  ARG A 137      32.711 -14.249   1.451  1.00  9.58           C  \\nATOM   1119  CG  ARG A 137      32.909 -13.118   0.439  1.00 13.45           C  \\nATOM   1120  CD  ARG A 137      34.044 -13.289  -0.494  1.00 19.25           C  \\nATOM   1121  NE  ARG A 137      34.397 -11.993  -1.080  1.00 21.02           N  \\nATOM   1122  CZ  ARG A 137      33.786 -11.405  -2.111  1.00 22.67           C  \\nATOM   1123  NH1 ARG A 137      32.706 -11.928  -2.706  1.00 20.47           N  \\nATOM   1124  NH2 ARG A 137      34.260 -10.228  -2.523  1.00 19.29           N  \\nATOM   1125  N   TRP A 138      29.623 -14.521   0.885  1.00 11.03           N  \\nATOM   1126  CA  TRP A 138      28.437 -14.316   0.098  1.00 11.24           C  \\nATOM   1127  C   TRP A 138      27.454 -13.347   0.764  1.00 11.55           C  \\nATOM   1128  O   TRP A 138      27.027 -12.314   0.188  1.00  9.89           O  \\nATOM   1129  CB  TRP A 138      27.744 -15.665  -0.146  1.00 10.91           C  \\nATOM   1130  CG  TRP A 138      26.395 -15.538  -0.873  1.00 12.27           C  \\nATOM   1131  CD1 TRP A 138      26.133 -14.884  -2.074  1.00 12.34           C  \\nATOM   1132  CD2 TRP A 138      25.152 -16.132  -0.462  1.00 12.34           C  \\nATOM   1133  NE1 TRP A 138      24.792 -15.025  -2.412  1.00 13.37           N  \\nATOM   1134  CE2 TRP A 138      24.172 -15.788  -1.447  1.00 11.66           C  \\nATOM   1135  CE3 TRP A 138      24.760 -16.870   0.682  1.00 12.11           C  \\nATOM   1136  CZ2 TRP A 138      22.839 -16.176  -1.361  1.00  8.21           C  \\nATOM   1137  CZ3 TRP A 138      23.431 -17.296   0.779  1.00 10.35           C  \\nATOM   1138  CH2 TRP A 138      22.456 -16.924  -0.247  1.00 14.47           C  \\nATOM   1139  N   TYR A 139      27.012 -13.737   1.949  1.00 11.34           N  \\nATOM   1140  CA  TYR A 139      26.026 -12.943   2.704  1.00 11.23           C  \\nATOM   1141  C   TYR A 139      26.575 -11.534   3.036  1.00  9.47           C  \\nATOM   1142  O   TYR A 139      25.897 -10.529   2.916  1.00 10.38           O  \\nATOM   1143  CB  TYR A 139      25.734 -13.665   4.018  1.00 12.01           C  \\nATOM   1144  CG  TYR A 139      24.693 -12.895   4.795  1.00 12.94           C  \\nATOM   1145  CD1 TYR A 139      23.352 -13.084   4.521  1.00 12.59           C  \\nATOM   1146  CD2 TYR A 139      25.067 -11.908   5.717  1.00 19.30           C  \\nATOM   1147  CE1 TYR A 139      22.350 -12.339   5.171  1.00 16.64           C  \\nATOM   1148  CE2 TYR A 139      24.090 -11.131   6.385  1.00 21.33           C  \\nATOM   1149  CZ  TYR A 139      22.735 -11.330   6.092  1.00 22.30           C  \\nATOM   1150  OH  TYR A 139      21.753 -10.556   6.754  1.00 24.45           O  \\nATOM   1151  N   ASN A 140      27.821 -11.472   3.470  1.00 10.13           N  \\nATOM   1152  CA  ASN A 140      28.380 -10.204   3.913  1.00  9.96           C  \\nATOM   1153  C   ASN A 140      28.594  -9.261   2.758  1.00  9.63           C  \\nATOM   1154  O   ASN A 140      28.414  -8.085   2.964  1.00 11.53           O  \\nATOM   1155  CB  ASN A 140      29.645 -10.332   4.669  1.00 11.45           C  \\nATOM   1156  CG  ASN A 140      29.432 -10.943   5.998  1.00 16.67           C  \\nATOM   1157  OD1 ASN A 140      29.744 -12.139   6.227  1.00 16.40           O  \\nATOM   1158  ND2 ASN A 140      28.909 -10.137   6.916  1.00 18.71           N  \\nATOM   1159  N   GLN A 141      28.875  -9.770   1.578  1.00  8.18           N  \\nATOM   1160  CA  GLN A 141      29.117  -8.909   0.408  1.00  9.37           C  \\nATOM   1161  C   GLN A 141      27.830  -8.437  -0.224  1.00  9.01           C  \\nATOM   1162  O   GLN A 141      27.732  -7.271  -0.722  1.00 10.59           O  \\nATOM   1163  CB  GLN A 141      30.005  -9.606  -0.625  1.00  9.35           C  \\nATOM   1164  CG  GLN A 141      31.492  -9.894  -0.173  1.00 13.96           C  \\nATOM   1165  CD  GLN A 141      32.188  -8.695   0.540  1.00 14.24           C  \\nATOM   1166  OE1 GLN A 141      32.719  -8.840   1.666  1.00 12.50           O  \\nATOM   1167  NE2 GLN A 141      32.211  -7.514  -0.159  1.00 14.10           N  \\nATOM   1168  N   THR A 142      26.849  -9.334  -0.296  1.00  7.29           N  \\nATOM   1169  CA  THR A 142      25.546  -8.991  -0.865  1.00  8.08           C  \\nATOM   1170  C   THR A 142      24.452  -9.380   0.129  1.00  8.74           C  \\nATOM   1171  O   THR A 142      23.703 -10.369  -0.122  1.00  8.55           O  \\nATOM   1172  CB  THR A 142      25.294  -9.708  -2.292  1.00  8.81           C  \\nATOM   1173  OG1 THR A 142      25.507 -11.144  -2.185  1.00 10.19           O  \\nATOM   1174  CG2 THR A 142      26.232  -9.107  -3.351  1.00  8.35           C  \\nATOM   1175  N   PRO A 143      24.377  -8.678   1.270  1.00 10.31           N  \\nATOM   1176  CA  PRO A 143      23.436  -9.139   2.315  1.00 10.69           C  \\nATOM   1177  C   PRO A 143      21.985  -9.007   1.926  1.00 11.77           C  \\nATOM   1178  O   PRO A 143      21.181  -9.846   2.330  1.00 13.01           O  \\nATOM   1179  CB  PRO A 143      23.788  -8.212   3.547  1.00 10.60           C  \\nATOM   1180  CG  PRO A 143      24.424  -7.016   2.957  1.00 12.90           C  \\nATOM   1181  CD  PRO A 143      25.164  -7.483   1.737  1.00  8.51           C  \\nATOM   1182  N   ASP A 144      21.612  -7.977   1.170  1.00  9.27           N  \\nATOM   1183  CA  ASP A 144      20.178  -7.796   0.924  1.00 10.93           C  \\nATOM   1184  C   ASP A 144      19.654  -8.950   0.028  1.00 10.02           C  \\nATOM   1185  O   ASP A 144      18.618  -9.573   0.307  1.00  6.13           O  \\nATOM   1186  CB  ASP A 144      19.906  -6.399   0.349  1.00 10.61           C  \\nATOM   1187  CG  ASP A 144      20.068  -5.269   1.463  1.00 12.99           C  \\nATOM   1188  OD1 ASP A 144      20.160  -5.566   2.651  1.00 19.65           O  \\nATOM   1189  OD2 ASP A 144      20.125  -4.131   1.116  1.00 20.27           O  \\nATOM   1190  N   ARG A 145      20.455  -9.241  -0.987  1.00  8.94           N  \\nATOM   1191  CA  ARG A 145      20.138 -10.336  -1.897  1.00 10.43           C  \\nATOM   1192  C   ARG A 145      20.211 -11.686  -1.194  1.00  9.22           C  \\nATOM   1193  O   ARG A 145      19.344 -12.520  -1.358  1.00  9.97           O  \\nATOM   1194  CB  ARG A 145      21.075 -10.344  -3.101  1.00 11.14           C  \\nATOM   1195  CG  ARG A 145      20.485 -11.315  -4.193  1.00 11.36           C  \\nATOM   1196  CD  ARG A 145      21.577 -11.846  -4.946  1.00 16.41           C  \\nATOM   1197  NE  ARG A 145      21.239 -12.817  -5.951  1.00 13.85           N  \\nATOM   1198  CZ  ARG A 145      21.814 -12.769  -7.147  1.00 14.83           C  \\nATOM   1199  NH1 ARG A 145      22.651 -11.764  -7.404  1.00 12.25           N  \\nATOM   1200  NH2 ARG A 145      21.533 -13.680  -8.075  1.00 10.86           N  \\nATOM   1201  N   ALA A 146      21.291 -11.919  -0.470  1.00 10.54           N  \\nATOM   1202  CA  ALA A 146      21.522 -13.175   0.219  1.00  8.75           C  \\nATOM   1203  C   ALA A 146      20.360 -13.395   1.244  1.00  9.60           C  \\nATOM   1204  O   ALA A 146      19.936 -14.521   1.446  1.00  9.60           O  \\nATOM   1205  CB  ALA A 146      22.907 -13.178   0.919  1.00 10.90           C  \\nATOM   1206  N   LYS A 147      19.917 -12.329   1.930  1.00  9.35           N  \\nATOM   1207  CA ALYS A 147      18.779 -12.380   2.883  0.50  9.70           C  \\nATOM   1208  CA BLYS A 147      18.806 -12.458   2.883  0.50  9.35           C  \\nATOM   1209  C   LYS A 147      17.519 -12.911   2.181  1.00  9.60           C  \\nATOM   1210  O   LYS A 147      16.809 -13.793   2.698  1.00  9.12           O  \\nATOM   1211  CB ALYS A 147      18.498 -10.981   3.453  0.50 10.21           C  \\nATOM   1212  CB BLYS A 147      18.603 -11.141   3.600  0.50  9.10           C  \\nATOM   1213  CG ALYS A 147      19.370 -10.521   4.638  0.50 11.22           C  \\nATOM   1214  CG BLYS A 147      17.454 -11.101   4.574  0.50  6.22           C  \\nATOM   1215  CD ALYS A 147      19.328  -8.952   4.874  0.50  8.64           C  \\nATOM   1216  CD BLYS A 147      17.268  -9.648   5.044  0.50  7.29           C  \\nATOM   1217  CE ALYS A 147      20.131  -8.574   6.141  0.50 13.87           C  \\nATOM   1218  CE BLYS A 147      18.370  -9.164   5.948  0.50  8.48           C  \\nATOM   1219  NZ ALYS A 147      19.929  -7.106   6.677  0.50 15.97           N  \\nATOM   1220  NZ BLYS A 147      17.931  -7.858   6.603  0.50 16.66           N  \\nATOM   1221  N   ARG A 148      17.234 -12.360   0.991  1.00  8.37           N  \\nATOM   1222  CA  ARG A 148      16.067 -12.838   0.171  1.00  8.61           C  \\nATOM   1223  C   ARG A 148      16.233 -14.314  -0.189  1.00  8.22           C  \\nATOM   1224  O   ARG A 148      15.310 -15.053  -0.090  1.00  7.25           O  \\nATOM   1225  CB  ARG A 148      15.944 -12.055  -1.149  1.00  9.76           C  \\nATOM   1226  CG  ARG A 148      15.473 -10.615  -0.941  1.00  9.47           C  \\nATOM   1227  CD  ARG A 148      14.955 -10.035  -2.231  1.00 11.55           C  \\nATOM   1228  NE  ARG A 148      16.083  -9.749  -3.139  1.00  9.12           N  \\nATOM   1229  CZ  ARG A 148      16.892  -8.676  -3.062  1.00 12.62           C  \\nATOM   1230  NH1 ARG A 148      16.699  -7.768  -2.117  1.00 11.46           N  \\nATOM   1231  NH2 ARG A 148      17.889  -8.526  -3.954  1.00  7.84           N  \\nATOM   1232  N   VAL A 149      17.429 -14.750  -0.595  1.00  9.31           N  \\nATOM   1233  CA  VAL A 149      17.599 -16.132  -1.123  1.00  7.43           C  \\nATOM   1234  C   VAL A 149      17.571 -17.102   0.084  1.00  9.63           C  \\nATOM   1235  O   VAL A 149      16.940 -18.198   0.029  1.00 10.27           O  \\nATOM   1236  CB  VAL A 149      18.979 -16.230  -1.786  1.00  8.60           C  \\nATOM   1237  CG1 VAL A 149      19.371 -17.719  -2.042  1.00  8.06           C  \\nATOM   1238  CG2 VAL A 149      18.972 -15.349  -3.090  1.00  7.73           C  \\nATOM   1239  N   ILE A 150      18.222 -16.666   1.177  1.00  9.83           N  \\nATOM   1240  CA  ILE A 150      18.142 -17.430   2.438  1.00 11.08           C  \\nATOM   1241  C   ILE A 150      16.717 -17.579   2.946  1.00 11.53           C  \\nATOM   1242  O   ILE A 150      16.341 -18.670   3.374  1.00 11.02           O  \\nATOM   1243  CB  ILE A 150      19.001 -16.834   3.572  1.00  9.45           C  \\nATOM   1244  CG1 ILE A 150      20.472 -17.088   3.243  1.00  9.95           C  \\nATOM   1245  CG2 ILE A 150      18.662 -17.599   4.911  1.00  7.97           C  \\nATOM   1246  CD1 ILE A 150      21.574 -16.163   4.027  1.00 11.27           C  \\nATOM   1247  N   THR A 151      15.922 -16.493   2.904  1.00 11.17           N  \\nATOM   1248  CA  THR A 151      14.541 -16.602   3.335  1.00 12.11           C  \\nATOM   1249  C   THR A 151      13.775 -17.631   2.473  1.00 12.25           C  \\nATOM   1250  O   THR A 151      12.927 -18.371   3.012  1.00 12.54           O  \\nATOM   1251  CB  THR A 151      13.820 -15.220   3.345  1.00 10.72           C  \\nATOM   1252  OG1 THR A 151      14.267 -14.471   4.478  1.00 13.62           O  \\nATOM   1253  CG2 THR A 151      12.318 -15.372   3.444  1.00 12.40           C  \\nATOM   1254  N   THR A 152      14.103 -17.685   1.177  1.00 11.02           N  \\nATOM   1255  CA  THR A 152      13.506 -18.620   0.217  1.00 11.59           C  \\nATOM   1256  C   THR A 152      13.851 -20.065   0.626  1.00 11.09           C  \\nATOM   1257  O   THR A 152      12.947 -20.915   0.681  1.00 11.15           O  \\nATOM   1258  CB  THR A 152      13.853 -18.286  -1.255  1.00  9.65           C  \\nATOM   1259  OG1 THR A 152      13.605 -16.884  -1.448  1.00 14.45           O  \\nATOM   1260  CG2 THR A 152      12.966 -19.074  -2.258  1.00 12.97           C  \\nATOM   1261  N   PHE A 153      15.141 -20.340   0.843  1.00 11.82           N  \\nATOM   1262  CA  PHE A 153      15.577 -21.606   1.457  1.00 11.41           C  \\nATOM   1263  C   PHE A 153      14.940 -21.933   2.811  1.00 12.38           C  \\nATOM   1264  O   PHE A 153      14.699 -23.136   3.120  1.00 15.74           O  \\nATOM   1265  CB  PHE A 153      17.093 -21.612   1.686  1.00  9.49           C  \\nATOM   1266  CG  PHE A 153      17.896 -21.945   0.481  1.00 10.80           C  \\nATOM   1267  CD1 PHE A 153      18.895 -21.077   0.047  1.00 10.33           C  \\nATOM   1268  CD2 PHE A 153      17.724 -23.180  -0.204  1.00 12.15           C  \\nATOM   1269  CE1 PHE A 153      19.701 -21.401  -1.129  1.00 12.42           C  \\nATOM   1270  CE2 PHE A 153      18.488 -23.533  -1.280  1.00 10.32           C  \\nATOM   1271  CZ  PHE A 153      19.528 -22.634  -1.772  1.00 11.42           C  \\nATOM   1272  N   ARG A 154      14.761 -20.930   3.673  1.00 12.17           N  \\nATOM   1273  CA AARG A 154      14.271 -21.230   5.013  0.50 12.64           C  \\nATOM   1274  CA BARG A 154      14.265 -21.155   5.019  0.50 12.11           C  \\nATOM   1275  C   ARG A 154      12.793 -21.588   4.990  1.00 11.62           C  \\nATOM   1276  O   ARG A 154      12.371 -22.461   5.725  1.00 11.54           O  \\nATOM   1277  CB AARG A 154      14.542 -20.110   6.040  0.50 12.03           C  \\nATOM   1278  CB BARG A 154      14.448 -19.882   5.864  0.50 11.14           C  \\nATOM   1279  CG AARG A 154      14.117 -20.513   7.498  0.50 12.79           C  \\nATOM   1280  CG BARG A 154      14.519 -20.121   7.388  0.50 12.64           C  \\nATOM   1281  CD AARG A 154      14.231 -19.378   8.534  0.50 13.25           C  \\nATOM   1282  CD BARG A 154      14.774 -18.832   8.189  0.50 10.89           C  \\nATOM   1283  NE AARG A 154      13.509 -18.163   8.171  0.50 14.10           N  \\nATOM   1284  NE BARG A 154      13.826 -17.758   7.886  0.50 13.71           N  \\nATOM   1285  CZ AARG A 154      12.194 -17.951   8.305  0.50 14.90           C  \\nATOM   1286  CZ BARG A 154      14.100 -16.680   7.145  0.50 13.45           C  \\nATOM   1287  NH1AARG A 154      11.388 -18.878   8.810  0.50 15.25           N  \\nATOM   1288  NH1BARG A 154      15.317 -16.513   6.641  0.50 14.29           N  \\nATOM   1289  NH2AARG A 154      11.679 -16.787   7.913  0.50 13.29           N  \\nATOM   1290  NH2BARG A 154      13.152 -15.754   6.927  0.50 14.08           N  \\nATOM   1291  N   THR A 155      12.024 -20.943   4.130  1.00 13.12           N  \\nATOM   1292  CA  THR A 155      10.549 -21.026   4.177  1.00 13.94           C  \\nATOM   1293  C   THR A 155       9.908 -21.788   3.051  1.00 14.32           C  \\nATOM   1294  O   THR A 155       8.759 -22.167   3.193  1.00 14.45           O  \\nATOM   1295  CB  THR A 155       9.926 -19.631   4.155  1.00 13.49           C  \\nATOM   1296  OG1 THR A 155      10.251 -19.012   2.897  1.00 15.46           O  \\nATOM   1297  CG2 THR A 155      10.442 -18.703   5.338  1.00 13.53           C  \\nATOM   1298  N   GLY A 156      10.633 -21.942   1.928  1.00 13.63           N  \\nATOM   1299  CA  GLY A 156      10.174 -22.488   0.706  1.00 11.64           C  \\nATOM   1300  C   GLY A 156       8.986 -21.701   0.179  1.00 11.69           C  \\nATOM   1301  O   GLY A 156       8.126 -22.272  -0.423  1.00 12.57           O  \\nATOM   1302  N   THR A 157       8.932 -20.389   0.508  1.00 10.85           N  \\nATOM   1303  CA  THR A 157       7.887 -19.474   0.069  1.00 11.02           C  \\nATOM   1304  C   THR A 157       8.547 -18.365  -0.713  1.00 10.31           C  \\nATOM   1305  O   THR A 157       9.768 -18.252  -0.731  1.00 10.58           O  \\nATOM   1306  CB  THR A 157       7.146 -18.727   1.212  1.00 11.05           C  \\nATOM   1307  OG1 THR A 157       8.033 -17.802   1.905  1.00 15.11           O  \\nATOM   1308  CG2 THR A 157       6.431 -19.683   2.169  1.00 11.04           C  \\nATOM   1309  N   TRP A 158       7.732 -17.524  -1.327  1.00 10.88           N  \\nATOM   1310  CA  TRP A 158       8.245 -16.440  -2.129  1.00 11.92           C  \\nATOM   1311  C   TRP A 158       8.123 -15.117  -1.329  1.00 11.55           C  \\nATOM   1312  O   TRP A 158       8.063 -14.022  -1.898  1.00 13.28           O  \\nATOM   1313  CB  TRP A 158       7.465 -16.359  -3.418  1.00 11.93           C  \\nATOM   1314  CG  TRP A 158       7.822 -17.470  -4.450  1.00 12.74           C  \\nATOM   1315  CD1 TRP A 158       6.994 -18.416  -4.898  1.00 13.77           C  \\nATOM   1316  CD2 TRP A 158       9.073 -17.655  -5.122  1.00 15.01           C  \\nATOM   1317  NE1 TRP A 158       7.622 -19.198  -5.820  1.00 14.08           N  \\nATOM   1318  CE2 TRP A 158       8.911 -18.751  -5.989  1.00 11.00           C  \\nATOM   1319  CE3 TRP A 158      10.330 -16.968  -5.102  1.00  8.15           C  \\nATOM   1320  CZ2 TRP A 158       9.950 -19.223  -6.823  1.00  9.81           C  \\nATOM   1321  CZ3 TRP A 158      11.341 -17.430  -5.941  1.00 10.77           C  \\nATOM   1322  CH2 TRP A 158      11.147 -18.560  -6.783  1.00 12.63           C  \\nATOM   1323  N   ASP A 159       8.038 -15.239  -0.012  1.00 11.99           N  \\nATOM   1324  CA  ASP A 159       7.758 -14.091   0.811  1.00 13.38           C  \\nATOM   1325  C   ASP A 159       8.791 -12.976   0.590  1.00 13.72           C  \\nATOM   1326  O   ASP A 159       8.420 -11.809   0.534  1.00 12.07           O  \\nATOM   1327  CB  ASP A 159       7.776 -14.531   2.270  1.00 14.76           C  \\nATOM   1328  CG  ASP A 159       6.512 -15.215   2.649  1.00 17.82           C  \\nATOM   1329  OD1 ASP A 159       5.653 -15.352   1.752  1.00 17.18           O  \\nATOM   1330  OD2 ASP A 159       6.407 -15.595   3.819  1.00 25.15           O  \\nATOM   1331  N   ALA A 160      10.058 -13.327   0.343  1.00 11.99           N  \\nATOM   1332  CA  ALA A 160      11.091 -12.278   0.261  1.00 11.80           C  \\nATOM   1333  C   ALA A 160      11.050 -11.555  -1.056  1.00 12.16           C  \\nATOM   1334  O   ALA A 160      11.750 -10.588  -1.236  1.00 11.65           O  \\nATOM   1335  CB  ALA A 160      12.506 -12.910   0.484  1.00 10.51           C  \\nATOM   1336  N   TYR A 161      10.216 -12.014  -2.004  1.00 14.08           N  \\nATOM   1337  CA  TYR A 161      10.175 -11.432  -3.346  1.00 14.80           C  \\nATOM   1338  C   TYR A 161       8.774 -10.867  -3.685  1.00 18.27           C  \\nATOM   1339  O   TYR A 161       8.596 -10.195  -4.714  1.00 18.91           O  \\nATOM   1340  CB  TYR A 161      10.570 -12.489  -4.414  1.00 14.76           C  \\nATOM   1341  CG  TYR A 161      12.018 -12.852  -4.385  1.00 12.49           C  \\nATOM   1342  CD1 TYR A 161      12.490 -13.904  -3.579  1.00 11.83           C  \\nATOM   1343  CD2 TYR A 161      12.928 -12.124  -5.112  1.00 10.82           C  \\nATOM   1344  CE1 TYR A 161      13.846 -14.213  -3.515  1.00 10.92           C  \\nATOM   1345  CE2 TYR A 161      14.310 -12.395  -5.068  1.00  8.48           C  \\nATOM   1346  CZ  TYR A 161      14.754 -13.457  -4.262  1.00 12.20           C  \\nATOM   1347  OH  TYR A 161      16.096 -13.759  -4.188  1.00 12.18           O  \\nATOM   1348  N   LYS A 162       7.786 -11.082  -2.826  0.50 18.90           N  \\nATOM   1349  CA  LYS A 162       6.443 -11.100  -3.371  0.50 19.75           C  \\nATOM   1350  C   LYS A 162       5.807  -9.773  -3.856  0.50 20.49           C  \\nATOM   1351  O   LYS A 162       5.003  -9.833  -4.775  0.50 20.39           O  \\nATOM   1352  CB  LYS A 162       5.494 -12.080  -2.646  0.50 19.69           C  \\nATOM   1353  CG  LYS A 162       5.382 -11.924  -1.136  0.50 20.78           C  \\nATOM   1354  CD  LYS A 162       4.505 -13.051  -0.566  0.50 19.81           C  \\nATOM   1355  CE  LYS A 162       3.705 -12.529   0.595  0.50 18.08           C  \\nATOM   1356  NZ  LYS A 162       2.689 -13.534   1.027  0.50 21.58           N  \\nATOM   1357  N   ASN A 163       6.166  -8.586  -3.355  0.50 21.64           N  \\nATOM   1358  CA  ASN A 163       6.996  -8.322  -2.203  0.50 23.15           C  \\nATOM   1359  C   ASN A 163       6.211  -7.397  -1.262  0.50 24.32           C  \\nATOM   1360  O   ASN A 163       6.241  -6.164  -1.395  0.50 24.66           O  \\nATOM   1361  CB  ASN A 163       8.345  -7.659  -2.590  0.50 24.09           C  \\nATOM   1362  CG  ASN A 163       8.264  -6.773  -3.876  0.50 24.52           C  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-12.536  -8.057  0.50 10.74           C  \\nATOM     13  CE BMET A   1      10.121 -14.299  -7.810  0.50 22.50           C  \\nATOM     14  N   ASN A   2       8.696 -17.109 -10.221  1.00 13.04           N  \\nATOM     15  CA  ASN A   2       9.444 -18.214 -10.830  1.00 11.28           C  \\nATOM     16  C   ASN A   2      10.923 -17.749 -10.851  1.00 11.13           C  \\nATOM     17  O   ASN A   2      11.262 -16.586 -10.453  1.00  8.10           O  \\nATOM     18  CB  ASN A   2       8.903 -18.572 -12.242  1.00 11.33           C  \\nATOM     19  CG  ASN A   2       8.979 -17.384 -13.226  1.00 13.64           C  \\nATOM     20  OD1 ASN A   2      10.036 -16.854 -13.455  1.00  9.75           O  \\nATOM     21  ND2 ASN A   2       7.826 -16.975 -13.804  1.00 12.13           N  \\nATOM     22  N   ILE A   3      11.803 -18.653 -11.255  1.00  9.44           N  \\nATOM     23  CA  ILE A   3      13.215 -18.370 -11.247  1.00  9.32           C  \\nATOM     24  C   ILE A   3      13.649 -17.195 -12.132  1.00  7.70           C  \\nATOM     25  O   ILE A   3      14.597 -16.489 -11.782  1.00  9.80           O  \\nATOM     26  CB  ILE A   3      14.010 -19.669 -11.653  1.00  9.07           C  \\nATOM     27  CG1 ILE A   3      15.522 -19.542 -11.375  1.00  8.89           C  \\nATOM     28  CG2 ILE A   3      13.701 -20.044 -13.127  1.00  9.00           C  \\nATOM     29  CD1 ILE A   3      16.021 -18.938 -10.040  1.00 10.83           C  \\nATOM     30  N   PHE A   4      12.976 -16.982 -13.265  1.00  8.60           N  \\nATOM     31  CA  PHE A   4      13.313 -15.827 -14.061  1.00  8.69           C  \\nATOM     32  C   PHE A   4      12.939 -14.559 -13.370  1.00  9.89           C  \\nATOM     33  O   PHE A   4      13.695 -13.598 -13.393  1.00  9.06           O  \\nATOM     34  CB  PHE A   4      12.680 -15.895 -15.481  1.00  8.95           C  \\nATOM     35  CG  PHE A   4      13.207 -17.104 -16.277  1.00 11.87           C  \\nATOM     36  CD1 PHE A   4      12.684 -18.381 -16.087  1.00 12.45           C  \\nATOM     37  CD2 PHE A   4      14.252 -16.959 -17.165  1.00 10.91           C  \\nATOM     38  CE1 PHE A   4      13.203 -19.507 -16.757  1.00 10.97           C  \\nATOM     39  CE2 PHE A   4      14.737 -18.073 -17.875  1.00 13.68           C  \\nATOM     40  CZ  PHE A   4      14.194 -19.334 -17.662  1.00 13.03           C  \\nATOM     41  N   GLU A   5      11.735 -14.528 -12.804  1.00  9.90           N  \\nATOM     42  CA  GLU A   5      11.306 -13.288 -12.184  1.00 10.93           C  \\nATOM     43  C   GLU A   5      12.211 -12.996 -10.954  1.00  9.58           C  \\nATOM     44  O   GLU A   5      12.515 -11.866 -10.632  1.00  9.92           O  \\nATOM     45  CB  GLU A   5       9.901 -13.444 -11.758  1.00  9.58           C  \\nATOM     46  CG  GLU A   5       8.948 -13.592 -12.964  1.00 15.91           C  \\nATOM     47  CD  GLU A   5       7.492 -13.611 -12.523  1.00 20.54           C  \\nATOM     48  OE1 GLU A   5       7.233 -13.319 -11.345  1.00 25.87           O  \\nATOM     49  OE2 GLU A   5       6.590 -13.885 -13.346  1.00 24.46           O  \\nATOM     50  N   MET A   6      12.558 -14.075 -10.256  1.00 10.80           N  \\nATOM     51  CA  MET A   6      13.414 -13.998  -9.100  1.00 11.41           C  \\nATOM     52  C   MET A   6      14.747 -13.416  -9.466  1.00  9.30           C  \\nATOM     53  O   MET A   6      15.191 -12.450  -8.826  1.00 12.93           O  \\nATOM     54  CB  MET A   6      13.592 -15.388  -8.488  1.00 10.41           C  \\nATOM     55  CG  MET A   6      14.245 -15.365  -7.093  1.00 12.68           C  \\nATOM     56  SD  MET A   6      14.896 -16.987  -6.864  1.00 11.50           S  \\nATOM     57  CE  MET A   6      15.143 -17.019  -5.053  1.00 14.29           C  \\nATOM     58  N   LEU A   7      15.419 -14.013 -10.450  1.00  9.60           N  \\nATOM     59  CA  LEU A   7      16.760 -13.572 -10.840  1.00  9.70           C  \\nATOM     60  C   LEU A   7      16.725 -12.198 -11.446  1.00 10.08           C  \\nATOM     61  O   LEU A   7      17.663 -11.405 -11.248  1.00 10.17           O  \\nATOM     62  CB  LEU A   7      17.456 -14.566 -11.767  1.00  9.47           C  \\nATOM     63  CG  LEU A   7      18.050 -15.641 -10.882  1.00  9.83           C  \\nATOM     64  CD1 LEU A   7      18.407 -16.854 -11.660  1.00 11.30           C  \\nATOM     65  CD2 LEU A   7      19.263 -15.036 -10.178  1.00  7.37           C  \\nATOM     66  N   ARG A   8      15.623 -11.872 -12.125  1.00 10.56           N  \\nATOM     67  CA  ARG A   8      15.486 -10.533 -12.730  1.00 10.46           C  \\nATOM     68  C   ARG A   8      15.430  -9.437 -11.619  1.00 11.05           C  \\nATOM     69  O   ARG A   8      15.999  -8.357 -11.787  1.00 11.99           O  \\nATOM     70  CB  ARG A   8      14.207 -10.427 -13.573  1.00  9.24           C  \\nATOM     71  CG  ARG A   8      13.842  -8.998 -13.962  1.00  8.95           C  \\nATOM     72  CD  ARG A   8      14.682  -8.440 -15.117  1.00 10.45           C  \\nATOM     73  NE  ARG A   8      14.315  -7.024 -15.407  1.00 17.11           N  \\nATOM     74  CZ  ARG A   8      14.510  -5.992 -14.572  1.00 17.32           C  \\nATOM     75  NH1 ARG A   8      15.075  -6.150 -13.368  1.00 19.70           N  \\nATOM     76  NH2 ARG A   8      14.103  -4.781 -14.898  1.00 21.76           N  \\nATOM     77  N   ILE A   9      14.727  -9.723 -10.513  1.00 10.05           N  \\nATOM     78  CA  ILE A   9      14.736  -8.832  -9.354  1.00 11.98           C  \\nATOM     79  C   ILE A   9      16.184  -8.699  -8.794  1.00 10.19           C  \\nATOM     80  O   ILE A   9      16.685  -7.599  -8.621  1.00 11.01           O  \\nATOM     81  CB  ILE A   9      13.745  -9.307  -8.310  1.00 11.81           C  \\nATOM     82  CG1 ILE A   9      12.295  -8.991  -8.792  1.00 11.16           C  \\nATOM     83  CG2 ILE A   9      14.127  -8.715  -6.901  1.00 13.13           C  \\nATOM     84  CD1 ILE A   9      11.180  -9.833  -8.105  1.00 11.02           C  \\nATOM     85  N   ASP A  10      16.875  -9.822  -8.643  1.00  9.37           N  \\nATOM     86  CA  ASP A  10      18.185  -9.878  -7.994  1.00 10.57           C  \\nATOM     87  C   ASP A  10      19.311  -9.308  -8.857  1.00 10.86           C  \\nATOM     88  O   ASP A  10      20.255  -8.693  -8.331  1.00 10.88           O  \\nATOM     89  CB  ASP A  10      18.506 -11.300  -7.545  1.00  8.71           C  \\nATOM     90  CG  ASP A  10      17.731 -11.697  -6.281  1.00 10.36           C  \\nATOM     91  OD1 ASP A  10      17.176 -10.813  -5.602  1.00 12.18           O  \\nATOM     92  OD2 ASP A  10      17.610 -12.911  -5.989  1.00 15.40           O  \\nATOM     93  N   GLU A  11      19.154  -9.412 -10.175  1.00 10.35           N  \\nATOM     94  CA  GLU A  11      20.297  -9.178 -11.071  1.00  9.98           C  \\nATOM     95  C   GLU A  11      20.085  -7.849 -11.752  1.00 11.17           C  \\nATOM     96  O   GLU A  11      21.027  -7.244 -12.149  1.00 10.89           O  \\nATOM     97  CB  GLU A  11      20.423 -10.284 -12.090  1.00 11.45           C  \\nATOM     98  CG  GLU A  11      20.983 -11.570 -11.540  1.00  8.72           C  \\nATOM     99  CD  GLU A  11      22.331 -11.403 -10.856  1.00 14.34           C  \\nATOM    100  OE1 GLU A  11      22.997 -10.296 -10.924  1.00 19.80           O  \\nATOM    101  OE2 GLU A  11      22.765 -12.362 -10.191  1.00 13.76           O  \\nATOM    102  N   GLY A  12      18.835  -7.395 -11.858  1.00  9.73           N  \\nATOM    103  CA  GLY A  12      18.503  -6.196 -12.686  1.00 10.14           C  \\nATOM    104  C   GLY A  12      18.558  -6.457 -14.191  1.00  9.64           C  \\nATOM    105  O   GLY A  12      18.692  -7.612 -14.632  1.00  8.39           O  \\nATOM    106  N   LEU A  13      18.315  -5.384 -14.951  1.00 10.95           N  \\nATOM    107  CA  LEU A  13      18.476  -5.410 -16.395  1.00 10.93           C  \\nATOM    108  C   LEU A  13      19.230  -4.158 -16.821  1.00 12.47           C  \\nATOM    109  O   LEU A  13      18.764  -3.037 -16.638  1.00 10.09           O  \\nATOM    110  CB  LEU A  13      17.121  -5.551 -17.094  1.00 10.84           C  \\nATOM    111  CG  LEU A  13      17.051  -5.400 -18.622  1.00 13.98           C  \\nATOM    112  CD1 LEU A  13      17.887  -6.504 -19.296  1.00 14.85           C  \\nATOM    113  CD2 LEU A  13      15.573  -5.621 -18.963  1.00 20.16           C  \\nATOM    114  N   ARG A  14      20.427  -4.347 -17.366  1.00 13.51           N  \\nATOM    115  CA  ARG A  14      21.161  -3.231 -17.947  1.00 12.55           C  \\nATOM    116  C   ARG A  14      21.624  -3.631 -19.343  1.00 13.91           C  \\nATOM    117  O   ARG A  14      22.092  -4.770 -19.558  1.00 13.51           O  \\nATOM    118  CB  ARG A  14      22.348  -2.865 -17.057  1.00 13.69           C  \\nATOM    119  CG  ARG A  14      21.881  -2.627 -15.541  1.00 10.77           C  \\nATOM    120  CD  ARG A  14      22.950  -2.031 -14.624  1.00 14.02           C  \\nATOM    121  NE  ARG A  14      23.267  -0.711 -15.097  1.00 18.61           N  \\nATOM    122  CZ  ARG A  14      24.231   0.041 -14.576  1.00 23.42           C  \\nATOM    123  NH1 ARG A  14      24.992  -0.441 -13.583  1.00 21.81           N  \\nATOM    124  NH2 ARG A  14      24.456   1.241 -15.079  1.00 24.97           N  \\nATOM    125  N   LEU A  15      21.488  -2.704 -20.276  1.00 14.21           N  \\nATOM    126  CA  LEU A  15      21.708  -3.028 -21.647  1.00 13.95           C  \\nATOM    127  C   LEU A  15      23.062  -2.639 -22.085  1.00 15.21           C  \\nATOM    128  O   LEU A  15      23.426  -3.007 -23.183  1.00 16.83           O  \\nATOM    129  CB  LEU A  15      20.647  -2.401 -22.523  1.00 14.29           C  \\nATOM    130  CG  LEU A  15      19.175  -2.813 -22.276  1.00 14.19           C  \\nATOM    131  CD1 LEU A  15      18.319  -2.230 -23.411  1.00 16.89           C  \\nATOM    132  CD2 LEU A  15      18.984  -4.289 -22.191  1.00 16.65           C  \\nATOM    133  N   LYS A  16      23.837  -1.955 -21.239  1.00 13.81           N  \\nATOM    134  CA  LYS A  16      25.207  -1.511 -21.600  1.00 14.34           C  \\nATOM    135  C   LYS A  16      26.123  -2.220 -20.641  1.00 13.58           C  \\nATOM    136  O   LYS A  16      25.731  -2.428 -19.477  1.00 15.63           O  \\nATOM    137  CB  LYS A  16      25.445  -0.003 -21.420  1.00 13.23           C  \\nATOM    138  CG  LYS A  16      24.695   0.873 -22.429  1.00 15.23           C  \\nATOM    139  CD  LYS A  16      24.562   2.348 -21.919  1.00 18.50           C  \\nATOM    140  CE  LYS A  16      24.042   3.253 -23.023  0.50 18.65           C  \\nATOM    141  NZ  LYS A  16      23.452   4.494 -22.483  0.50 21.53           N  \\nATOM    142  N   ILE A  17      27.336  -2.553 -21.085  1.00 14.54           N  \\nATOM    143  CA  ILE A  17      28.286  -3.207 -20.207  1.00 12.07           C  \\nATOM    144  C   ILE A  17      28.445  -2.430 -18.902  1.00 12.48           C  \\nATOM    145  O   ILE A  17      28.560  -1.225 -18.904  1.00 11.54           O  \\nATOM    146  CB  ILE A  17      29.634  -3.435 -20.873  1.00 12.95           C  \\nATOM    147  CG1 ILE A  17      29.493  -4.310 -22.144  1.00  8.75           C  \\nATOM    148  CG2 ILE A  17      30.696  -3.989 -19.862  1.00 12.45           C  \\nATOM    149  CD1 ILE A  17      30.848  -4.603 -22.812  1.00 12.23           C  \\nATOM    150  N   TYR A  18      28.373  -3.145 -17.790  1.00 14.39           N  \\nATOM    151  CA  TYR A  18      28.495  -2.515 -16.435  1.00 14.47           C  \\nATOM    152  C   TYR A  18      29.363  -3.471 -15.607  1.00 11.71           C  \\nATOM    153  O   TYR A  18      29.567  -4.613 -16.003  1.00 11.89           O  \\nATOM    154  CB  TYR A  18      27.118  -2.287 -15.749  1.00 13.83           C  \\nATOM    155  CG  TYR A  18      26.357  -3.552 -15.398  1.00 16.86           C  \\nATOM    156  CD1 TYR A  18      26.399  -4.107 -14.085  1.00 18.55           C  \\nATOM    157  CD2 TYR A  18      25.550  -4.229 -16.381  1.00 17.94           C  \\nATOM    158  CE1 TYR A  18      25.696  -5.338 -13.766  1.00 17.18           C  \\nATOM    159  CE2 TYR A  18      24.833  -5.419 -16.053  1.00 14.72           C  \\nATOM    160  CZ  TYR A  18      24.891  -5.954 -14.728  1.00 19.33           C  \\nATOM    161  OH  TYR A  18      24.153  -7.143 -14.446  1.00 17.43           O  \\nATOM    162  N   LYS A  19      29.830  -2.990 -14.466  1.00 10.51           N  \\nATOM    163  CA  LYS A  19      30.548  -3.762 -13.546  1.00 11.63           C  \\nATOM    164  C   LYS A  19      29.558  -4.240 -12.469  1.00 10.87           C  \\nATOM    165  O   LYS A  19      28.710  -3.454 -11.952  1.00 10.79           O  \\nATOM    166  CB  LYS A  19      31.682  -2.988 -12.948  1.00 10.53           C  \\nATOM    167  CG  LYS A  19      32.726  -2.643 -13.946  1.00 12.17           C  \\nATOM    168  CD  LYS A  19      33.877  -2.083 -13.250  1.00 13.68           C  \\nATOM    169  CE  LYS A  19      34.967  -1.539 -14.227  1.00 14.68           C  \\nATOM    170  NZ  LYS A  19      35.970  -0.819 -13.352  1.00 14.18           N  \\nATOM    171  N   ASP A  20      29.600  -5.541 -12.238  1.00 10.28           N  \\nATOM    172  CA  ASP A  20      28.755  -6.178 -11.230  1.00 10.35           C  \\nATOM    173  C   ASP A  20      29.298  -5.856  -9.825  1.00 11.13           C  \\nATOM    174  O   ASP A  20      30.226  -5.065  -9.684  1.00 13.25           O  \\nATOM    175  CB  ASP A  20      28.668  -7.714 -11.433  1.00  9.98           C  \\nATOM    176  CG  ASP A  20      29.988  -8.465 -11.129  1.00 12.88           C  \\nATOM    177  OD1 ASP A  20      30.984  -7.917 -10.654  1.00 12.47           O  \\nATOM    178  OD2 ASP A  20      30.049  -9.702 -11.403  1.00 17.43           O  \\nATOM    179  N   THR A  21      28.720  -6.477  -8.805  1.00 11.25           N  \\nATOM    180  CA ATHR A  21      29.009  -6.152  -7.390  0.50 11.50           C  \\nATOM    181  CA BTHR A  21      29.034  -6.058  -7.448  0.50 12.55           C  \\nATOM    182  C   THR A  21      30.477  -6.421  -7.079  1.00 13.05           C  \\nATOM    183  O   THR A  21      31.021  -5.897  -6.128  1.00 13.00           O  \\nATOM    184  CB ATHR A  21      28.137  -6.999  -6.443  0.50 11.96           C  \\nATOM    185  CB BTHR A  21      28.006  -6.598  -6.483  0.50 13.53           C  \\nATOM    186  OG1ATHR A  21      28.532  -8.367  -6.545  0.50  9.71           O  \\nATOM    187  OG1BTHR A  21      28.188  -5.969  -5.222  0.50 15.74           O  \\nATOM    188  CG2ATHR A  21      26.613  -6.864  -6.788  0.50  9.51           C  \\nATOM    189  CG2BTHR A  21      28.126  -8.101  -6.356  0.50 11.11           C  \\nATOM    190  N   GLU A  22      31.092  -7.317  -7.862  1.00 13.35           N  \\nATOM    191  CA  GLU A  22      32.490  -7.662  -7.724  1.00 12.75           C  \\nATOM    192  C   GLU A  22      33.430  -6.817  -8.601  1.00 12.79           C  \\nATOM    193  O   GLU A  22      34.654  -7.008  -8.550  1.00 14.56           O  \\nATOM    194  CB  GLU A  22      32.706  -9.174  -7.929  1.00 14.64           C  \\nATOM    195  CG  GLU A  22      32.057 -10.100  -6.954  1.00 15.63           C  \\nATOM    196  CD  GLU A  22      32.687  -9.982  -5.568  1.00 24.42           C  \\nATOM    197  OE1 GLU A  22      33.939  -9.752  -5.413  1.00 27.57           O  \\nATOM    198  OE2 GLU A  22      31.927 -10.082  -4.603  1.00 25.73           O  \\nATOM    199  N   GLY A  23      32.899  -5.860  -9.369  1.00 12.54           N  \\nATOM    200  CA  GLY A  23      33.714  -5.054 -10.291  1.00 12.77           C  \\nATOM    201  C   GLY A  23      33.925  -5.726 -11.631  1.00 13.27           C  \\nATOM    202  O   GLY A  23      34.746  -5.261 -12.389  1.00 12.49           O  \\nATOM    203  N   TYR A  24      33.188  -6.818 -11.934  1.00 12.52           N  \\nATOM    204  CA ATYR A  24      33.399  -7.500 -13.218  0.50 12.99           C  \\nATOM    205  CA BTYR A  24      33.342  -7.583 -13.178  0.50 13.06           C  \\nATOM    206  C   TYR A  24      32.400  -7.159 -14.255  1.00 12.20           C  \\nATOM    207  O   TYR A  24      31.233  -7.035 -13.968  1.00 12.55           O  \\nATOM    208  CB ATYR A  24      33.556  -9.021 -13.089  0.50 13.61           C  \\nATOM    209  CB BTYR A  24      33.041  -9.063 -12.949  0.50 13.86           C  \\nATOM    210  CG ATYR A  24      34.623  -9.343 -12.121  0.50 13.38           C  \\nATOM    211  CG BTYR A  24      33.927  -9.785 -11.988  0.50 13.37           C  \\nATOM    212  CD1ATYR A  24      35.916  -8.819 -12.279  0.50 11.36           C  \\nATOM    213  CD1BTYR A  24      35.285  -9.532 -11.952  0.50 17.24           C  \\nATOM    214  CD2ATYR A  24      34.349 -10.120 -11.004  0.50 14.00           C  \\nATOM    215  CD2BTYR A  24      33.402 -10.744 -11.107  0.50 15.02           C  \\nATOM    216  CE1ATYR A  24      36.918  -9.086 -11.342  0.50 12.77           C  \\nATOM    217  CE1BTYR A  24      36.106 -10.204 -11.059  0.50 16.72           C  \\nATOM    218  CE2ATYR A  24      35.317 -10.382 -10.083  0.50 15.94           C  \\nATOM    219  CE2BTYR A  24      34.209 -11.418 -10.221  0.50 15.43           C  \\nATOM    220  CZ ATYR A  24      36.598  -9.865 -10.238  0.50 14.47           C  \\nATOM    221  CZ BTYR A  24      35.565 -11.151 -10.195  0.50 16.64           C  \\nATOM    222  OH ATYR A  24      37.533 -10.179  -9.280  0.50 17.75           O  \\nATOM    223  OH BTYR A  24      36.411 -11.818  -9.312  0.50 13.96           O  \\nATOM    224  N   TYR A  25      32.932  -7.026 -15.486  1.00 12.09           N  \\nATOM    225  CA  TYR A  25      32.179  -6.584 -16.638  1.00 12.61           C  \\nATOM    226  C   TYR A  25      31.081  -7.581 -16.948  1.00 11.80           C  \\nATOM    227  O   TYR A  25      31.336  -8.785 -17.028  1.00 11.78           O  \\nATOM    228  CB  TYR A  25      33.048  -6.452 -17.840  1.00 11.99           C  \\nATOM    229  CG  TYR A  25      33.968  -5.305 -17.737  1.00 13.52           C  \\nATOM    230  CD1 TYR A  25      35.325  -5.518 -17.812  1.00 15.00           C  \\nATOM    231  CD2 TYR A  25      33.488  -4.013 -17.535  1.00 12.92           C  \\nATOM    232  CE1 TYR A  25      36.223  -4.433 -17.731  1.00 15.76           C  \\nATOM    233  CE2 TYR A  25      34.355  -2.917 -17.467  1.00 14.50           C  \\nATOM    234  CZ  TYR A  25      35.739  -3.147 -17.578  1.00 16.48           C  \\nATOM    235  OH  TYR A  25      36.629  -2.116 -17.499  1.00 18.00           O  \\nATOM    236  N   THR A  26      29.880  -7.035 -17.078  1.00 11.69           N  \\nATOM    237  CA  THR A  26      28.634  -7.821 -17.042  1.00 12.00           C  \\nATOM    238  C   THR A  26      27.677  -7.090 -17.975  1.00 11.69           C  \\nATOM    239  O   THR A  26      27.861  -5.934 -18.220  1.00 12.63           O  \\nATOM    240  CB  THR A  26      28.104  -7.933 -15.551  1.00 12.28           C  \\nATOM    241  OG1 THR A  26      29.112  -8.590 -14.733  1.00 13.67           O  \\nATOM    242  CG2 THR A  26      26.740  -8.671 -15.460  1.00 13.96           C  \\nATOM    243  N   ILE A  27      26.673  -7.754 -18.529  1.00 10.49           N  \\nATOM    244  CA  ILE A  27      25.623  -7.061 -19.275  1.00 11.85           C  \\nATOM    245  C   ILE A  27      24.289  -7.760 -19.021  1.00 10.90           C  \\nATOM    246  O   ILE A  27      24.262  -8.839 -18.484  1.00 13.57           O  \\nATOM    247  CB  ILE A  27      25.970  -6.982 -20.827  1.00  8.77           C  \\nATOM    248  CG1 ILE A  27      25.126  -5.864 -21.494  1.00  9.65           C  \\nATOM    249  CG2 ILE A  27      25.863  -8.366 -21.435  1.00 12.03           C  \\nATOM    250  CD1 ILE A  27      25.660  -5.372 -22.839  1.00 11.30           C  \\nATOM    251  N   GLY A  28      23.198  -7.134 -19.399  1.00 11.08           N  \\nATOM    252  CA  GLY A  28      21.893  -7.789 -19.451  1.00 11.75           C  \\nATOM    253  C   GLY A  28      21.405  -8.092 -18.068  1.00 11.50           C  \\nATOM    254  O   GLY A  28      21.389  -7.193 -17.197  1.00 11.34           O  \\nATOM    255  N   ILE A  29      21.008  -9.359 -17.869  1.00 11.68           N  \\nATOM    256  CA  ILE A  29      20.474  -9.822 -16.566  1.00 10.38           C  \\nATOM    257  C   ILE A  29      21.581 -10.615 -15.842  1.00 10.59           C  \\nATOM    258  O   ILE A  29      21.520 -11.830 -15.751  1.00 11.75           O  \\nATOM    259  CB  ILE A  29      19.130 -10.547 -16.693  1.00 11.65           C  \\nATOM    260  CG1 ILE A  29      18.055  -9.646 -17.356  1.00  8.43           C  \\nATOM    261  CG2 ILE A  29      18.591 -10.990 -15.328  1.00 10.08           C  \\nATOM    262  CD1 ILE A  29      16.933 -10.395 -18.113  1.00 12.83           C  \\nATOM    263  N   GLY A  30      22.601  -9.907 -15.332  1.00 10.90           N  \\nATOM    264  CA  GLY A  30      23.716 -10.556 -14.663  1.00 10.32           C  \\nATOM    265  C   GLY A  30      24.459 -11.550 -15.525  1.00 11.48           C  \\nATOM    266  O   GLY A  30      24.903 -12.643 -15.066  1.00 12.69           O  \\nATOM    267  N   HIS A  31      24.650 -11.172 -16.779  1.00  8.99           N  \\nATOM    268  CA  HIS A  31      25.436 -12.044 -17.632  1.00 10.80           C  \\nATOM    269  C   HIS A  31      26.876 -11.567 -17.520  1.00  8.81           C  \\nATOM    270  O   HIS A  31      27.255 -10.542 -18.111  1.00 10.50           O  \\nATOM    271  CB  HIS A  31      24.990 -11.990 -19.097  1.00  9.28           C  \\nATOM    272  CG  HIS A  31      25.845 -12.837 -19.965  1.00  9.54           C  \\nATOM    273  ND1 HIS A  31      25.671 -14.193 -20.067  1.00 14.49           N  \\nATOM    274  CD2 HIS A  31      26.987 -12.555 -20.634  1.00 13.34           C  \\nATOM    275  CE1 HIS A  31      26.628 -14.703 -20.827  1.00 14.65           C  \\nATOM    276  NE2 HIS A  31      27.438 -13.727 -21.177  1.00 13.40           N  \\nATOM    277  N   LEU A  32      27.674 -12.359 -16.827  1.00 10.44           N  \\nATOM    278  CA  LEU A  32      29.069 -12.061 -16.591  1.00 12.64           C  \\nATOM    279  C   LEU A  32      29.796 -12.233 -17.912  1.00 12.40           C  \\nATOM    280  O   LEU A  32      29.675 -13.272 -18.584  1.00 12.89           O  \\nATOM    281  CB  LEU A  32      29.615 -13.058 -15.554  1.00 13.09           C  \\nATOM    282  CG  LEU A  32      31.118 -12.943 -15.243  1.00 14.71           C  \\nATOM    283  CD1 LEU A  32      31.455 -11.547 -14.710  1.00 11.58           C  \\nATOM    284  CD2 LEU A  32      31.592 -14.089 -14.245  1.00 14.66           C  \\nATOM    285  N   LEU A  33      30.519 -11.216 -18.322  1.00 12.36           N  \\nATOM    286  CA  LEU A  33      31.266 -11.293 -19.602  1.00 13.55           C  \\nATOM    287  C   LEU A  33      32.696 -11.751 -19.366  1.00 15.00           C  \\nATOM    288  O   LEU A  33      33.203 -12.621 -20.102  1.00 15.58           O  \\nATOM    289  CB  LEU A  33      31.321  -9.920 -20.203  1.00 13.92           C  \\nATOM    290  CG  LEU A  33      29.961  -9.530 -20.748  1.00  9.98           C  \\nATOM    291  CD1 LEU A  33      29.967  -8.038 -21.078  1.00 11.52           C  \\nATOM    292  CD2 LEU A  33      29.599 -10.356 -22.046  1.00  6.96           C  \\nATOM    293  N   THR A  34      33.339 -11.200 -18.333  1.00 15.13           N  \\nATOM    294  CA  THR A  34      34.686 -11.561 -18.021  1.00 16.46           C  \\nATOM    295  C   THR A  34      35.082 -11.015 -16.666  1.00 17.47           C  \\nATOM    296  O   THR A  34      34.547  -9.979 -16.232  1.00 17.59           O  \\nATOM    297  CB  THR A  34      35.721 -10.977 -19.080  1.00 18.65           C  \\nATOM    298  OG1 THR A  34      37.052 -11.341 -18.700  1.00 19.78           O  \\nATOM    299  CG2 THR A  34      35.689  -9.465 -19.114  1.00 12.88           C  \\nATOM    300  N   LYS A  35      36.068 -11.674 -16.039  1.00 18.87           N  \\nATOM    301  CA  LYS A  35      36.806 -11.089 -14.902  1.00 21.97           C  \\nATOM    302  C   LYS A  35      37.974 -10.166 -15.236  1.00 23.16           C  \\nATOM    303  O   LYS A  35      38.512  -9.480 -14.335  1.00 23.53           O  \\nATOM    304  CB  LYS A  35      37.258 -12.169 -13.930  1.00 22.07           C  \\nATOM    305  CG  LYS A  35      36.033 -12.908 -13.404  1.00 22.54           C  \\nATOM    306  CD  LYS A  35      36.355 -13.859 -12.265  1.00 20.80           C  \\nATOM    307  CE  LYS A  35      35.035 -14.572 -11.907  1.00 28.15           C  \\nATOM    308  NZ  LYS A  35      35.218 -15.611 -10.823  1.00 29.37           N  \\nATOM    309  N   SER A  36      38.357 -10.125 -16.505  1.00 23.27           N  \\nATOM    310  CA  SER A  36      39.391  -9.206 -16.956  1.00 22.49           C  \\nATOM    311  C   SER A  36      39.054  -7.756 -16.718  1.00 22.79           C  \\nATOM    312  O   SER A  36      37.917  -7.313 -16.954  1.00 20.74           O  \\nATOM    313  CB  SER A  36      39.643  -9.383 -18.454  1.00 23.05           C  \\nATOM    314  OG  SER A  36      40.470  -8.323 -18.929  1.00 21.13           O  \\nATOM    315  N   PRO A  37      40.044  -6.993 -16.251  1.00 23.64           N  \\nATOM    316  CA  PRO A  37      39.856  -5.563 -16.100  1.00 23.78           C  \\nATOM    317  C   PRO A  37      39.896  -4.829 -17.439  1.00 24.01           C  \\nATOM    318  O   PRO A  37      39.743  -3.621 -17.474  1.00 23.95           O  \\nATOM    319  CB  PRO A  37      41.054  -5.135 -15.238  1.00 24.98           C  \\nATOM    320  CG  PRO A  37      42.145  -6.158 -15.541  1.00 24.78           C  \\nATOM    321  CD  PRO A  37      41.366  -7.465 -15.809  1.00 24.30           C  \\nATOM    322  N   ASP A  38      40.068  -5.565 -18.522  1.00 23.55           N  \\nATOM    323  CA  ASP A  38      40.176  -4.981 -19.861  1.00 23.61           C  \\nATOM    324  C   ASP A  38      38.763  -4.867 -20.435  1.00 22.10           C  \\nATOM    325  O   ASP A  38      38.113  -5.896 -20.726  1.00 23.06           O  \\nATOM    326  CB  ASP A  38      40.984  -5.939 -20.711  1.00 23.90           C  \\nATOM    327  CG  ASP A  38      41.359  -5.383 -22.079  1.00 29.00           C  \\nATOM    328  OD1 ASP A  38      40.917  -4.290 -22.515  1.00 31.63           O  \\nATOM    329  OD2 ASP A  38      42.140  -6.103 -22.744  0.50 31.87           O  \\nATOM    330  N   LEU A  39      38.291  -3.640 -20.593  1.00 20.06           N  \\nATOM    331  CA  LEU A  39      37.000  -3.399 -21.170  1.00 17.93           C  \\nATOM    332  C   LEU A  39      36.922  -4.016 -22.574  1.00 17.00           C  \\nATOM    333  O   LEU A  39      35.903  -4.585 -22.967  1.00 14.52           O  \\nATOM    334  CB  LEU A  39      36.636  -1.933 -21.144  1.00 19.75           C  \\nATOM    335  CG  LEU A  39      35.242  -1.577 -21.762  1.00 19.08           C  \\nATOM    336  CD1 LEU A  39      33.981  -2.226 -21.083  1.00 15.17           C  \\nATOM    337  CD2 LEU A  39      35.178  -0.079 -21.883  1.00 17.63           C  \\nATOM    338  N   ASN A  40      38.013  -3.974 -23.313  1.00 15.29           N  \\nATOM    339  CA  ASN A  40      37.986  -4.574 -24.624  1.00 16.57           C  \\nATOM    340  C   ASN A  40      37.790  -6.091 -24.605  1.00 15.17           C  \\nATOM    341  O   ASN A  40      37.255  -6.653 -25.553  1.00 15.96           O  \\nATOM    342  CB  ASN A  40      39.272  -4.248 -25.372  1.00 19.04           C  \\nATOM    343  CG  ASN A  40      39.309  -2.805 -25.835  1.00 24.09           C  \\nATOM    344  OD1 ASN A  40      38.287  -2.209 -26.268  1.00 27.52           O  \\nATOM    345  ND2 ASN A  40      40.500  -2.211 -25.714  1.00 29.99           N  \\nATOM    346  N   ALA A  41      38.321  -6.754 -23.585  1.00 15.24           N  \\nATOM    347  CA  ALA A  41      38.222  -8.195 -23.467  1.00 15.24           C  \\nATOM    348  C   ALA A  41      36.757  -8.490 -23.200  1.00 15.28           C  \\nATOM    349  O   ALA A  41      36.235  -9.509 -23.713  1.00 16.99           O  \\nATOM    350  CB  ALA A  41      39.085  -8.733 -22.392  1.00 13.34           C  \\nATOM    351  N   ALA A  42      36.085  -7.617 -22.421  1.00 15.41           N  \\nATOM    352  CA  ALA A  42      34.615  -7.764 -22.207  1.00 13.34           C  \\nATOM    353  C   ALA A  42      33.800  -7.533 -23.458  1.00 14.85           C  \\nATOM    354  O   ALA A  42      32.802  -8.239 -23.737  1.00 15.53           O  \\nATOM    355  CB  ALA A  42      34.111  -6.888 -21.007  1.00 14.75           C  \\nATOM    356  N   LYS A  43      34.207  -6.541 -24.235  1.00 14.45           N  \\nATOM    357  CA  LYS A  43      33.554  -6.246 -25.485  1.00 13.01           C  \\nATOM    358  C   LYS A  43      33.731  -7.366 -26.446  1.00 11.58           C  \\nATOM    359  O   LYS A  43      32.795  -7.672 -27.135  1.00 13.80           O  \\nATOM    360  CB  LYS A  43      34.002  -4.925 -26.119  1.00 13.83           C  \\nATOM    361  CG  LYS A  43      33.566  -3.712 -25.306  1.00 18.49           C  \\nATOM    362  CD  LYS A  43      34.132  -2.436 -25.871  1.00 21.84           C  \\nATOM    363  CE  LYS A  43      33.394  -1.273 -25.232  1.00 26.35           C  \\nATOM    364  NZ  LYS A  43      33.578  -0.015 -25.966  1.00 30.22           N  \\nATOM    365  N   SER A  44      34.896  -8.006 -26.487  1.00 11.60           N  \\nATOM    366  CA  SER A  44      35.087  -9.174 -27.387  1.00 12.83           C  \\nATOM    367  C   SER A  44      34.145 -10.342 -26.941  1.00 13.44           C  \\nATOM    368  O   SER A  44      33.436 -10.996 -27.768  1.00 13.24           O  \\nATOM    369  CB  SER A  44      36.594  -9.526 -27.412  1.00 14.76           C  \\nATOM    370  OG  SER A  44      36.850 -10.723 -28.102  1.00 18.81           O  \\nATOM    371  N   GLU A  45      34.089 -10.602 -25.629  1.00 13.03           N  \\nATOM    372  CA  GLU A  45      33.200 -11.666 -25.058  1.00 12.59           C  \\nATOM    373  C   GLU A  45      31.750 -11.385 -25.361  1.00 12.07           C  \\nATOM    374  O   GLU A  45      31.017 -12.296 -25.676  1.00 13.76           O  \\nATOM    375  CB  GLU A  45      33.334 -11.748 -23.555  1.00 10.62           C  \\nATOM    376  CG  GLU A  45      34.647 -12.347 -23.128  1.00 12.96           C  \\nATOM    377  CD  GLU A  45      34.855 -13.718 -23.805  1.00 15.13           C  \\nATOM    378  OE1 GLU A  45      34.075 -14.665 -23.575  1.00 13.31           O  \\nATOM    379  OE2 GLU A  45      35.826 -13.847 -24.550  1.00 17.67           O  \\nATOM    380  N   LEU A  46      31.316 -10.121 -25.250  1.00 11.28           N  \\nATOM    381  CA  LEU A  46      29.963  -9.716 -25.595  1.00 10.57           C  \\nATOM    382  C   LEU A  46      29.645 -10.066 -27.044  1.00 11.44           C  \\nATOM    383  O   LEU A  46      28.620 -10.666 -27.334  1.00 12.45           O  \\nATOM    384  CB  LEU A  46      29.680  -8.195 -25.388  1.00  7.82           C  \\nATOM    385  CG  LEU A  46      28.261  -7.700 -25.710  1.00  8.57           C  \\nATOM    386  CD1 LEU A  46      27.223  -8.416 -24.846  1.00 11.19           C  \\nATOM    387  CD2 LEU A  46      28.126  -6.246 -25.455  1.00 10.01           C  \\nATOM    388  N   ASP A  47      30.509  -9.645 -27.950  1.00 12.06           N  \\nATOM    389  CA  ASP A  47      30.287  -9.869 -29.345  1.00 11.19           C  \\nATOM    390  C   ASP A  47      30.254 -11.369 -29.653  1.00 11.07           C  \\nATOM    391  O   ASP A  47      29.487 -11.789 -30.501  1.00 10.42           O  \\nATOM    392  CB  ASP A  47      31.423  -9.217 -30.093  1.00 10.99           C  \\nATOM    393  CG  ASP A  47      31.363  -7.695 -30.024  1.00 12.43           C  \\nATOM    394  OD1 ASP A  47      30.355  -7.081 -29.552  1.00 10.46           O  \\nATOM    395  OD2 ASP A  47      32.309  -7.121 -30.573  1.00 18.98           O  \\nATOM    396  N   LYS A  48      31.150 -12.145 -29.021  1.00 10.81           N  \\nATOM    397  CA  LYS A  48      31.160 -13.618 -29.170  1.00 10.31           C  \\nATOM    398  C   LYS A  48      29.782 -14.205 -28.710  1.00  9.51           C  \\nATOM    399  O   LYS A  48      29.201 -15.075 -29.374  1.00 10.98           O  \\nATOM    400  CB  LYS A  48      32.335 -14.214 -28.396  1.00  8.87           C  \\nATOM    401  CG  LYS A  48      32.462 -15.715 -28.570  1.00  9.35           C  \\nATOM    402  CD  LYS A  48      33.818 -16.315 -28.181  1.00  8.34           C  \\nATOM    403  CE  LYS A  48      34.396 -15.833 -26.876  1.00  9.68           C  \\nATOM    404  NZ  LYS A  48      33.695 -16.293 -25.719  1.00 11.58           N  \\nATOM    405  N   ALA A  49      29.245 -13.662 -27.615  1.00 10.87           N  \\nATOM    406  CA  ALA A  49      28.052 -14.170 -26.929  1.00 12.51           C  \\nATOM    407  C   ALA A  49      26.820 -13.908 -27.790  1.00 12.83           C  \\nATOM    408  O   ALA A  49      25.892 -14.760 -27.952  1.00 11.18           O  \\nATOM    409  CB  ALA A  49      27.927 -13.423 -25.553  1.00 13.07           C  \\nATOM    410  N   ILE A  50      26.842 -12.746 -28.406  1.00 12.15           N  \\nATOM    411  CA  ILE A  50      25.673 -12.274 -29.151  1.00 12.61           C  \\nATOM    412  C   ILE A  50      25.735 -12.652 -30.633  1.00 11.87           C  \\nATOM    413  O   ILE A  50      24.695 -12.767 -31.255  1.00 12.43           O  \\nATOM    414  CB  ILE A  50      25.472 -10.730 -29.010  1.00 10.16           C  \\nATOM    415  CG1 ILE A  50      25.282 -10.393 -27.508  1.00 14.77           C  \\nATOM    416  CG2 ILE A  50      24.281 -10.260 -29.866  1.00 11.98           C  \\nATOM    417  CD1 ILE A  50      24.049 -10.949 -26.859  1.00 14.13           C  \\nATOM    418  N   GLY A  51      26.937 -12.913 -31.144  1.00 13.85           N  \\nATOM    419  CA  GLY A  51      27.113 -13.231 -32.576  1.00 14.53           C  \\nATOM    420  C   GLY A  51      27.105 -11.986 -33.492  1.00 17.21           C  \\nATOM    421  O   GLY A  51      26.856 -12.081 -34.685  1.00 17.73           O  \\nATOM    422  N   ARG A  52      27.351 -10.806 -32.950  1.00 16.02           N  \\nATOM    423  CA  ARG A  52      27.364  -9.594 -33.759  1.00 16.50           C  \\nATOM    424  C   ARG A  52      28.271  -8.634 -33.015  1.00 14.92           C  \\nATOM    425  O   ARG A  52      28.613  -8.905 -31.871  1.00 15.80           O  \\nATOM    426  CB  ARG A  52      25.933  -9.028 -34.021  1.00 15.77           C  \\nATOM    427  CG  ARG A  52      25.246  -8.424 -32.779  1.00 17.56           C  \\nATOM    428  CD  ARG A  52      23.915  -7.712 -33.120  1.00 20.09           C  \\nATOM    429  NE  ARG A  52      23.293  -7.136 -31.928  1.00 20.79           N  \\nATOM    430  CZ  ARG A  52      23.658  -6.002 -31.341  1.00 21.18           C  \\nATOM    431  NH1 ARG A  52      24.597  -5.250 -31.904  1.00 25.60           N  \\nATOM    432  NH2 ARG A  52      23.006  -5.576 -30.243  1.00 23.53           N  \\nATOM    433  N   ASN A  53      28.662  -7.545 -33.683  1.00 14.53           N  \\nATOM    434  CA  ASN A  53      29.520  -6.494 -33.171  1.00 15.36           C  \\nATOM    435  C   ASN A  53      28.632  -5.561 -32.350  1.00 15.47           C  \\nATOM    436  O   ASN A  53      27.881  -4.804 -32.906  1.00 13.54           O  \\nATOM    437  CB  ASN A  53      30.083  -5.698 -34.363  1.00 15.64           C  \\nATOM    438  CG  ASN A  53      31.367  -6.294 -34.930  0.50 16.35           C  \\nATOM    439  OD1 ASN A  53      32.043  -7.087 -34.292  0.50 17.84           O  \\nATOM    440  ND2 ASN A  53      31.703  -5.901 -36.141  0.50 14.99           N  \\nATOM    441  N   CYS A  54      28.636  -5.674 -31.027  1.00 15.19           N  \\nATOM    442  CA  CYS A  54      27.590  -4.959 -30.253  1.00 15.66           C  \\nATOM    443  C   CYS A  54      28.035  -3.621 -29.806  1.00 15.84           C  \\nATOM    444  O   CYS A  54      27.199  -2.775 -29.399  1.00 18.75           O  \\nATOM    445  CB  CYS A  54      27.165  -5.741 -29.019  1.00 14.40           C  \\nATOM    446  SG  CYS A  54      26.498  -7.306 -29.460  1.00 17.76           S  \\nATOM    447  N   ASN A  55      29.345  -3.411 -29.844  1.00 16.88           N  \\nATOM    448  CA  ASN A  55      29.936  -2.166 -29.332  1.00 17.33           C  \\nATOM    449  C   ASN A  55      29.426  -1.846 -27.898  1.00 17.29           C  \\nATOM    450  O   ASN A  55      29.010  -0.715 -27.600  1.00 18.40           O  \\nATOM    451  CB  ASN A  55      29.776  -1.019 -30.373  0.50 17.07           C  \\nATOM    452  CG  ASN A  55      30.752  -1.170 -31.559  0.50 16.33           C  \\nATOM    453  OD1 ASN A  55      30.405  -1.679 -32.645  0.50 15.28           O  \\nATOM    454  ND2 ASN A  55      32.004  -0.737 -31.339  0.50 17.57           N  \\nATOM    455  N   GLY A  56      29.441  -2.884 -27.041  1.00 17.17           N  \\nATOM    456  CA  GLY A  56      29.107  -2.757 -25.606  1.00 15.09           C  \\nATOM    457  C   GLY A  56      27.651  -2.511 -25.272  1.00 13.62           C  \\nATOM    458  O   GLY A  56      27.334  -2.204 -24.136  1.00 13.57           O  \\nATOM    459  N   VAL A  57      26.748  -2.702 -26.236  1.00 13.31           N  \\nATOM    460  CA  VAL A  57      25.346  -2.490 -26.026  1.00 13.69           C  \\nATOM    461  C   VAL A  57      24.535  -3.599 -26.695  1.00 12.83           C  \\nATOM    462  O   VAL A  57      24.850  -4.088 -27.791  1.00 12.42           O  \\nATOM    463  CB  VAL A  57      24.859  -1.101 -26.538  1.00 15.47           C  \\nATOM    464  CG1 VAL A  57      23.410  -0.916 -26.178  1.00 13.56           C  \\nATOM    465  CG2 VAL A  57      25.705   0.016 -25.893  1.00 14.18           C  \\nATOM    466  N   ILE A  58      23.511  -4.022 -25.982  1.00 13.06           N  \\nATOM    467  CA  ILE A  58      22.602  -5.022 -26.493  1.00 12.11           C  \\nATOM    468  C   ILE A  58      21.164  -4.584 -26.292  1.00 12.45           C  \\nATOM    469  O   ILE A  58      20.885  -3.604 -25.568  1.00 13.66           O  \\nATOM    470  CB  ILE A  58      22.798  -6.421 -25.791  1.00 10.33           C  \\nATOM    471  CG1 ILE A  58      22.427  -6.352 -24.291  1.00 12.49           C  \\nATOM    472  CG2 ILE A  58      24.250  -7.024 -26.093  1.00 12.03           C  \\nATOM    473  CD1 ILE A  58      22.387  -7.785 -23.587  1.00  9.93           C  \\nATOM    474  N   THR A  59      20.253  -5.328 -26.935  1.00 12.65           N  \\nATOM    475  CA  THR A  59      18.812  -5.151 -26.769  1.00 13.78           C  \\nATOM    476  C   THR A  59      18.222  -5.960 -25.596  1.00 14.47           C  \\nATOM    477  O   THR A  59      18.852  -6.901 -25.069  1.00 12.93           O  \\nATOM    478  CB  THR A  59      18.073  -5.512 -28.073  1.00 15.34           C  \\nATOM    479  OG1 THR A  59      18.130  -6.940 -28.269  1.00 14.31           O  \\nATOM    480  CG2 THR A  59      18.685  -4.675 -29.284  1.00 14.99           C  \\nATOM    481  N   LYS A  60      16.981  -5.603 -25.230  1.00 15.15           N  \\nATOM    482  CA  LYS A  60      16.272  -6.347 -24.200  1.00 15.55           C  \\nATOM    483  C   LYS A  60      16.150  -7.794 -24.630  1.00 15.96           C  \\nATOM    484  O   LYS A  60      16.365  -8.714 -23.817  1.00 15.57           O  \\nATOM    485  CB  LYS A  60      14.914  -5.735 -23.901  1.00 15.63           C  \\nATOM    486  CG  LYS A  60      14.212  -6.387 -22.697  1.00 14.56           C  \\nATOM    487  CD  LYS A  60      13.071  -5.601 -22.181  1.00 16.36           C  \\nATOM    488  CE  LYS A  60      12.125  -6.493 -21.386  1.00 21.55           C  \\nATOM    489  NZ  LYS A  60      10.958  -5.776 -20.764  0.50 24.65           N  \\nATOM    490  N   ASP A  61      15.803  -8.011 -25.912  1.00 16.94           N  \\nATOM    491  CA  ASP A  61      15.634  -9.389 -26.387  1.00 15.82           C  \\nATOM    492  C   ASP A  61      16.949 -10.149 -26.254  1.00 13.72           C  \\nATOM    493  O   ASP A  61      16.957 -11.323 -25.851  1.00 12.79           O  \\nATOM    494  CB  ASP A  61      15.230  -9.414 -27.845  1.00 16.67           C  \\nATOM    495  CG  ASP A  61      13.789  -9.038 -28.059  1.00 22.04           C  \\nATOM    496  OD1 ASP A  61      13.035  -8.672 -27.114  1.00 24.22           O  \\nATOM    497  OD2 ASP A  61      13.389  -9.094 -29.238  1.00 29.10           O  \\nATOM    498  N   GLU A  62      18.050  -9.502 -26.637  1.00 12.95           N  \\nATOM    499  CA  GLU A  62      19.371 -10.153 -26.539  1.00 13.13           C  \\nATOM    500  C   GLU A  62      19.666 -10.403 -25.071  1.00 11.06           C  \\nATOM    501  O   GLU A  62      20.270 -11.425 -24.758  1.00 10.10           O  \\nATOM    502  CB  GLU A  62      20.457  -9.318 -27.156  1.00 13.17           C  \\nATOM    503  CG  GLU A  62      20.188  -9.063 -28.645  1.00 16.48           C  \\nATOM    504  CD  GLU A  62      21.138  -8.105 -29.365  1.00 16.24           C  \\nATOM    505  OE1 GLU A  62      21.583  -7.055 -28.815  1.00 15.48           O  \\nATOM    506  OE2 GLU A  62      21.446  -8.420 -30.546  1.00 15.92           O  \\nATOM    507  N   ALA A  63      19.276  -9.464 -24.174  1.00 10.00           N  \\nATOM    508  CA  ALA A  63      19.507  -9.712 -22.738  1.00  8.92           C  \\nATOM    509  C   ALA A  63      18.773 -10.963 -22.260  1.00 10.79           C  \\nATOM    510  O   ALA A  63      19.393 -11.814 -21.590  1.00 11.01           O  \\nATOM    511  CB  ALA A  63      19.137  -8.549 -21.890  1.00 11.14           C  \\nATOM    512  N   GLU A  64      17.476 -11.074 -22.613  1.00 10.55           N  \\nATOM    513  CA  GLU A  64      16.654 -12.183 -22.194  1.00  9.59           C  \\nATOM    514  C   GLU A  64      17.154 -13.459 -22.831  1.00 10.50           C  \\nATOM    515  O   GLU A  64      17.118 -14.491 -22.222  1.00 10.93           O  \\nATOM    516  CB  GLU A  64      15.227 -11.879 -22.514  1.00 11.46           C  \\nATOM    517  CG  GLU A  64      14.650 -10.758 -21.559  1.00 12.95           C  \\nATOM    518  CD  GLU A  64      13.361 -10.129 -22.108  1.00 19.94           C  \\nATOM    519  OE1 GLU A  64      13.046 -10.395 -23.301  1.00 21.72           O  \\nATOM    520  OE2 GLU A  64      12.700  -9.325 -21.383  1.00 21.66           O  \\nATOM    521  N   LYS A  65      17.681 -13.388 -24.050  1.00  9.94           N  \\nATOM    522  CA  LYS A  65      18.256 -14.589 -24.614  1.00 10.27           C  \\nATOM    523  C   LYS A  65      19.452 -15.142 -23.818  1.00 10.44           C  \\nATOM    524  O   LYS A  65      19.510 -16.322 -23.500  1.00  8.28           O  \\nATOM    525  CB  LYS A  65      18.621 -14.364 -26.077  1.00 10.94           C  \\nATOM    526  CG  LYS A  65      19.120 -15.640 -26.661  1.00  9.62           C  \\nATOM    527  CD  LYS A  65      19.273 -15.438 -28.137  1.00 18.05           C  \\nATOM    528  CE  LYS A  65      19.717 -16.760 -28.669  1.00 20.75           C  \\nATOM    529  NZ  LYS A  65      19.257 -16.995 -30.009  1.00 22.44           N  \\nATOM    530  N   LEU A  66      20.416 -14.292 -23.518  1.00 11.27           N  \\nATOM    531  CA  LEU A  66      21.577 -14.664 -22.689  1.00 10.98           C  \\nATOM    532  C   LEU A  66      21.059 -15.219 -21.339  1.00 10.20           C  \\nATOM    533  O   LEU A  66      21.603 -16.197 -20.770  1.00  8.48           O  \\nATOM    534  CB  LEU A  66      22.431 -13.396 -22.435  1.00 11.43           C  \\nATOM    535  CG  LEU A  66      23.246 -12.880 -23.691  1.00 10.72           C  \\nATOM    536  CD1 LEU A  66      23.979 -11.568 -23.276  1.00 15.89           C  \\nATOM    537  CD2 LEU A  66      24.275 -13.877 -24.098  1.00 17.06           C  \\nATOM    538  N   PHE A  67      20.045 -14.540 -20.815  1.00 10.45           N  \\nATOM    539  CA  PHE A  67      19.483 -14.876 -19.493  1.00 11.64           C  \\nATOM    540  C   PHE A  67      18.889 -16.290 -19.535  1.00 11.66           C  \\nATOM    541  O   PHE A  67      19.155 -17.127 -18.662  1.00 12.35           O  \\nATOM    542  CB  PHE A  67      18.431 -13.838 -19.108  1.00 10.74           C  \\nATOM    543  CG  PHE A  67      17.788 -14.043 -17.704  1.00 13.29           C  \\nATOM    544  CD1 PHE A  67      18.546 -14.451 -16.611  1.00 11.59           C  \\nATOM    545  CD2 PHE A  67      16.417 -13.717 -17.508  1.00 14.66           C  \\nATOM    546  CE1 PHE A  67      18.012 -14.551 -15.339  1.00 13.70           C  \\nATOM    547  CE2 PHE A  67      15.844 -13.829 -16.240  1.00  8.46           C  \\nATOM    548  CZ  PHE A  67      16.641 -14.258 -15.165  1.00 14.46           C  \\nATOM    549  N   ASN A  68      18.036 -16.548 -20.516  1.00 11.62           N  \\nATOM    550  CA AASN A  68      17.541 -17.893 -20.780  0.50 11.70           C  \\nATOM    551  CA BASN A  68      17.543 -17.904 -20.656  0.50 11.62           C  \\nATOM    552  C   ASN A  68      18.665 -18.909 -20.772  1.00 11.78           C  \\nATOM    553  O   ASN A  68      18.594 -19.936 -20.142  1.00 13.01           O  \\nATOM    554  CB AASN A  68      16.820 -17.901 -22.136  0.50 11.53           C  \\nATOM    555  CB BASN A  68      16.563 -18.019 -21.810  0.50 11.63           C  \\nATOM    556  CG AASN A  68      15.372 -17.443 -22.038  0.50 12.13           C  \\nATOM    557  CG BASN A  68      15.825 -19.342 -21.829  0.50 11.61           C  \\nATOM    558  OD1AASN A  68      14.742 -17.598 -20.989  0.50 13.94           O  \\nATOM    559  OD1BASN A  68      16.124 -20.285 -21.087  0.50 13.56           O  \\nATOM    560  ND2AASN A  68      14.830 -16.893 -23.139  0.50  8.69           N  \\nATOM    561  ND2BASN A  68      14.820 -19.409 -22.683  0.50 15.20           N  \\nATOM    562  N   GLN A  69      19.727 -18.630 -21.556  1.00 11.81           N  \\nATOM    563  CA  GLN A  69      20.846 -19.553 -21.615  1.00 11.54           C  \\nATOM    564  C   GLN A  69      21.544 -19.724 -20.245  1.00 12.95           C  \\nATOM    565  O   GLN A  69      21.915 -20.861 -19.870  1.00 12.00           O  \\nATOM    566  CB  GLN A  69      21.893 -19.068 -22.615  1.00 12.40           C  \\nATOM    567  CG  GLN A  69      21.358 -19.052 -23.987  1.00  9.65           C  \\nATOM    568  CD  GLN A  69      22.297 -18.543 -25.025  1.00 15.93           C  \\nATOM    569  OE1 GLN A  69      22.004 -18.771 -26.199  1.00 14.26           O  \\nATOM    570  NE2 GLN A  69      23.447 -17.857 -24.639  1.00  7.52           N  \\nATOM    571  N   ASP A  70      21.682 -18.609 -19.520  1.00 12.06           N  \\nATOM    572  CA  ASP A  70      22.362 -18.581 -18.205  1.00 13.01           C  \\nATOM    573  C   ASP A  70      21.603 -19.373 -17.141  1.00 13.30           C  \\nATOM    574  O   ASP A  70      22.218 -20.158 -16.423  1.00 13.91           O  \\nATOM    575  CB  ASP A  70      22.656 -17.133 -17.741  1.00 12.93           C  \\nATOM    576  CG  ASP A  70      23.751 -16.485 -18.601  1.00 12.85           C  \\nATOM    577  OD1 ASP A  70      24.358 -17.190 -19.432  1.00 10.38           O  \\nATOM    578  OD2 ASP A  70      23.960 -15.296 -18.478  1.00 15.54           O  \\nATOM    579  N   VAL A  71      20.282 -19.221 -17.121  1.00 13.81           N  \\nATOM    580  CA  VAL A  71      19.446 -19.962 -16.161  1.00 14.32           C  \\nATOM    581  C   VAL A  71      19.507 -21.448 -16.479  1.00 13.97           C  \\nATOM    582  O   VAL A  71      19.792 -22.277 -15.617  1.00 13.66           O  \\nATOM    583  CB  VAL A  71      18.053 -19.421 -16.128  1.00 14.69           C  \\nATOM    584  CG1 VAL A  71      17.122 -20.311 -15.207  1.00 17.08           C  \\nATOM    585  CG2 VAL A  71      18.085 -17.953 -15.713  1.00 13.00           C  \\nATOM    586  N   ASP A  72      19.282 -21.772 -17.752  1.00 13.09           N  \\nATOM    587  CA AASP A  72      19.329 -23.119 -18.221  0.50 12.65           C  \\nATOM    588  CA BASP A  72      19.320 -23.135 -18.192  0.25 12.18           C  \\nATOM    589  C   ASP A  72      20.672 -23.728 -17.839  1.00 13.46           C  \\nATOM    590  O   ASP A  72      20.747 -24.804 -17.204  1.00 13.48           O  \\nATOM    591  CB AASP A  72      19.131 -23.105 -19.725  0.50 12.21           C  \\nATOM    592  CB BASP A  72      19.066 -23.195 -19.680  0.50 10.51           C  \\nATOM    593  CG AASP A  72      18.850 -24.456 -20.279  0.50 15.38           C  \\nATOM    594  CG BASP A  72      18.935 -24.600 -20.185  0.25  9.93           C  \\nATOM    595  OD1AASP A  72      18.703 -25.384 -19.461  0.50 14.46           O  \\nATOM    596  OD1BASP A  72      17.767 -25.017 -20.398  0.25 10.93           O  \\nATOM    597  OD2AASP A  72      18.757 -24.584 -21.537  0.50 17.74           O  \\nATOM    598  OD2BASP A  72      19.987 -25.267 -20.383  0.25  2.00           O  \\nATOM    599  N   ALA A  73      21.753 -23.034 -18.193  1.00 14.64           N  \\nATOM    600  CA  ALA A  73      23.066 -23.541 -17.803  1.00 16.63           C  \\nATOM    601  C   ALA A  73      23.235 -23.723 -16.280  1.00 15.99           C  \\nATOM    602  O   ALA A  73      23.863 -24.709 -15.861  1.00 16.82           O  \\nATOM    603  CB  ALA A  73      24.160 -22.645 -18.298  1.00 18.31           C  \\nATOM    604  N   ALA A  74      22.722 -22.800 -15.474  1.00 15.03           N  \\nATOM    605  CA  ALA A  74      22.859 -22.917 -13.996  1.00 14.63           C  \\nATOM    606  C   ALA A  74      22.242 -24.300 -13.543  1.00 14.71           C  \\nATOM    607  O   ALA A  74      22.849 -25.018 -12.790  1.00 15.11           O  \\nATOM    608  CB  ALA A  74      22.249 -21.719 -13.277  1.00 12.58           C  \\nATOM    609  N   VAL A  75      21.082 -24.664 -14.104  1.00 14.47           N  \\nATOM    610  CA  VAL A  75      20.326 -25.869 -13.679  1.00 15.31           C  \\nATOM    611  C   VAL A  75      21.103 -27.088 -14.098  1.00 16.89           C  \\nATOM    612  O   VAL A  75      21.338 -28.031 -13.300  1.00 16.13           O  \\nATOM    613  CB  VAL A  75      18.931 -25.940 -14.349  1.00 15.57           C  \\nATOM    614  CG1 VAL A  75      18.206 -27.287 -13.927  1.00 12.54           C  \\nATOM    615  CG2 VAL A  75      18.149 -24.774 -13.967  1.00 13.69           C  \\nATOM    616  N   ARG A  76      21.502 -27.052 -15.375  1.00 17.86           N  \\nATOM    617  CA  ARG A  76      22.166 -28.157 -15.972  1.00 18.45           C  \\nATOM    618  C   ARG A  76      23.495 -28.366 -15.231  1.00 18.97           C  \\nATOM    619  O   ARG A  76      23.886 -29.522 -15.042  1.00 18.42           O  \\nATOM    620  CB  ARG A  76      22.347 -27.987 -17.489  1.00 18.37           C  \\nATOM    621  CG  ARG A  76      21.030 -28.084 -18.280  1.00 21.02           C  \\nATOM    622  CD  ARG A  76      20.234 -29.467 -18.062  1.00 23.30           C  \\nATOM    623  NE  ARG A  76      20.859 -30.673 -18.667  1.00 24.78           N  \\nATOM    624  CZ  ARG A  76      20.870 -30.966 -19.981  1.00 24.82           C  \\nATOM    625  NH1 ARG A  76      20.309 -30.137 -20.881  1.00 23.72           N  \\nATOM    626  NH2 ARG A  76      21.417 -32.123 -20.383  1.00 21.50           N  \\nATOM    627  N   GLY A  77      24.123 -27.266 -14.783  1.00 17.52           N  \\nATOM    628  CA  GLY A  77      25.342 -27.371 -13.980  1.00 18.05           C  \\nATOM    629  C   GLY A  77      25.118 -28.051 -12.621  1.00 18.04           C  \\nATOM    630  O   GLY A  77      25.866 -28.978 -12.226  1.00 18.57           O  \\nATOM    631  N   ILE A  78      24.052 -27.641 -11.954  1.00 14.98           N  \\nATOM    632  CA  ILE A  78      23.681 -28.257 -10.693  1.00 15.97           C  \\nATOM    633  C   ILE A  78      23.470 -29.793 -10.905  1.00 16.71           C  \\nATOM    634  O   ILE A  78      24.019 -30.638 -10.151  1.00 16.13           O  \\nATOM    635  CB  ILE A  78      22.387 -27.607 -10.169  1.00 15.31           C  \\nATOM    636  CG1 ILE A  78      22.703 -26.258  -9.543  1.00 13.49           C  \\nATOM    637  CG2 ILE A  78      21.706 -28.544  -9.127  1.00 13.94           C  \\nATOM    638  CD1 ILE A  78      21.429 -25.340  -9.385  1.00 12.53           C  \\nATOM    639  N   LEU A  79      22.708 -30.137 -11.956  1.00 17.70           N  \\nATOM    640  CA  LEU A  79      22.342 -31.549 -12.249  1.00 18.29           C  \\nATOM    641  C   LEU A  79      23.567 -32.381 -12.593  1.00 19.08           C  \\nATOM    642  O   LEU A  79      23.559 -33.554 -12.312  1.00 20.14           O  \\nATOM    643  CB  LEU A  79      21.271 -31.636 -13.343  1.00 16.98           C  \\nATOM    644  CG  LEU A  79      19.942 -30.927 -13.080  1.00 18.32           C  \\nATOM    645  CD1 LEU A  79      18.969 -31.311 -14.196  1.00 20.14           C  \\nATOM    646  CD2 LEU A  79      19.316 -31.280 -11.687  1.00 14.70           C  \\nATOM    647  N   ARG A  80      24.639 -31.761 -13.106  1.00 20.00           N  \\nATOM    648  CA AARG A  80      25.922 -32.396 -13.482  0.50 21.00           C  \\nATOM    649  CA BARG A  80      25.851 -32.517 -13.445  0.50 21.04           C  \\nATOM    650  C   ARG A  80      26.840 -32.580 -12.270  1.00 21.27           C  \\nATOM    651  O   ARG A  80      27.798 -33.332 -12.294  1.00 21.73           O  \\nATOM    652  CB AARG A  80      26.679 -31.500 -14.496  0.50 20.88           C  \\nATOM    653  CB BARG A  80      26.521 -31.955 -14.712  0.50 21.20           C  \\nATOM    654  CG AARG A  80      26.661 -31.978 -15.932  0.50 21.97           C  \\nATOM    655  CG BARG A  80      25.714 -32.242 -15.982  0.50 22.66           C  \\nATOM    656  CD AARG A  80      27.524 -31.088 -16.870  0.50 21.53           C  \\nATOM    657  CD BARG A  80      26.428 -31.725 -17.224  0.50 21.75           C  \\nATOM    658  NE AARG A  80      26.737 -30.102 -17.636  0.50 22.62           N  \\nATOM    659  NE BARG A  80      25.862 -30.471 -17.728  0.50 25.51           N  \\nATOM    660  CZ AARG A  80      26.769 -28.788 -17.456  0.50 17.84           C  \\nATOM    661  CZ BARG A  80      25.006 -30.421 -18.737  0.50 22.61           C  \\nATOM    662  NH1AARG A  80      27.557 -28.243 -16.540  0.50 20.02           N  \\nATOM    663  NH1BARG A  80      24.649 -31.545 -19.324  0.50 24.25           N  \\nATOM    664  NH2AARG A  80      26.024 -28.018 -18.226  0.50 20.52           N  \\nATOM    665  NH2BARG A  80      24.535 -29.263 -19.166  0.50 22.32           N  \\nATOM    666  N   ASN A  81      26.536 -31.869 -11.203  1.00 20.47           N  \\nATOM    667  CA  ASN A  81      27.380 -31.831 -10.030  1.00 18.36           C  \\nATOM    668  C   ASN A  81      26.972 -32.828  -8.945  1.00 16.30           C  \\nATOM    669  O   ASN A  81      25.905 -32.741  -8.334  1.00 16.06           O  \\nATOM    670  CB  ASN A  81      27.447 -30.405  -9.547  1.00 18.17           C  \\nATOM    671  CG  ASN A  81      28.455 -30.186  -8.428  1.00 18.04           C  \\nATOM    672  OD1 ASN A  81      28.467 -30.868  -7.416  1.00 18.71           O  \\nATOM    673  ND2 ASN A  81      29.217 -29.158  -8.563  1.00 16.25           N  \\nATOM    674  N   ALA A  82      27.848 -33.795  -8.728  1.00 16.51           N  \\nATOM    675  CA  ALA A  82      27.607 -34.849  -7.726  1.00 17.01           C  \\nATOM    676  C   ALA A  82      27.338 -34.313  -6.348  1.00 16.74           C  \\nATOM    677  O   ALA A  82      26.596 -34.947  -5.598  1.00 17.60           O  \\nATOM    678  CB  ALA A  82      28.775 -35.854  -7.667  1.00 16.45           C  \\nATOM    679  N   LYS A  83      28.010 -33.219  -5.938  1.00 17.87           N  \\nATOM    680  CA  LYS A  83      27.694 -32.636  -4.634  1.00 18.19           C  \\nATOM    681  C   LYS A  83      26.325 -31.918  -4.610  1.00 16.92           C  \\nATOM    682  O   LYS A  83      25.613 -31.921  -3.576  1.00 15.75           O  \\nATOM    683  CB  LYS A  83      28.770 -31.632  -4.191  1.00 21.02           C  \\nATOM    684  CG  LYS A  83      30.229 -32.140  -3.925  1.00 21.08           C  \\nATOM    685  CD  LYS A  83      30.272 -33.505  -3.162  1.00 25.06           C  \\nATOM    686  CE  LYS A  83      31.717 -34.072  -3.176  0.50 22.78           C  \\nATOM    687  NZ  LYS A  83      31.791 -35.494  -2.660  0.50 21.91           N  \\nATOM    688  N   LEU A  84      25.966 -31.254  -5.698  1.00 15.29           N  \\nATOM    689  CA  LEU A  84      24.751 -30.451  -5.706  1.00 13.58           C  \\nATOM    690  C   LEU A  84      23.466 -31.194  -6.041  1.00 12.55           C  \\nATOM    691  O   LEU A  84      22.428 -30.921  -5.469  1.00 11.18           O  \\nATOM    692  CB  LEU A  84      24.852 -29.184  -6.614  1.00 13.15           C  \\nATOM    693  CG  LEU A  84      26.065 -28.311  -6.204  1.00 15.68           C  \\nATOM    694  CD1 LEU A  84      26.191 -27.075  -7.087  1.00 16.32           C  \\nATOM    695  CD2 LEU A  84      25.995 -27.895  -4.722  1.00 14.11           C  \\nATOM    696  N   LYS A  85      23.515 -32.069  -7.022  1.00 13.06           N  \\nATOM    697  CA  LYS A  85      22.313 -32.704  -7.507  1.00 12.55           C  \\nATOM    698  C   LYS A  85      21.534 -33.396  -6.373  1.00 12.36           C  \\nATOM    699  O   LYS A  85      20.339 -33.227  -6.321  1.00 11.04           O  \\nATOM    700  CB  LYS A  85      22.673 -33.751  -8.539  1.00 12.48           C  \\nATOM    701  CG  LYS A  85      21.472 -34.332  -9.236  1.00 14.44           C  \\nATOM    702  CD  LYS A  85      21.993 -35.262 -10.277  1.00 15.12           C  \\nATOM    703  CE  LYS A  85      20.899 -35.812 -11.231  1.00 21.52           C  \\nATOM    704  NZ  LYS A  85      19.645 -36.159 -10.573  1.00 27.30           N  \\nATOM    705  N   PRO A  86      22.209 -34.190  -5.494  1.00 13.36           N  \\nATOM    706  CA  PRO A  86      21.280 -34.862  -4.535  1.00 15.21           C  \\nATOM    707  C   PRO A  86      20.522 -33.860  -3.645  1.00 13.25           C  \\nATOM    708  O   PRO A  86      19.345 -34.059  -3.320  1.00 16.43           O  \\nATOM    709  CB  PRO A  86      22.178 -35.800  -3.746  1.00 15.18           C  \\nATOM    710  CG  PRO A  86      23.555 -35.276  -3.923  1.00 17.57           C  \\nATOM    711  CD  PRO A  86      23.593 -34.585  -5.289  1.00 14.59           C  \\nATOM    712  N   VAL A  87      21.162 -32.734  -3.333  1.00 12.97           N  \\nATOM    713  CA  VAL A  87      20.538 -31.742  -2.481  1.00 11.84           C  \\nATOM    714  C   VAL A  87      19.384 -31.031  -3.215  1.00 10.58           C  \\nATOM    715  O   VAL A  87      18.285 -30.956  -2.712  1.00 11.03           O  \\nATOM    716  CB  VAL A  87      21.580 -30.741  -1.902  1.00 10.54           C  \\nATOM    717  CG1 VAL A  87      20.855 -29.791  -0.991  1.00  9.28           C  \\nATOM    718  CG2 VAL A  87      22.690 -31.532  -1.118  1.00  8.89           C  \\nATOM    719  N   TYR A  88      19.657 -30.592  -4.441  1.00 11.45           N  \\nATOM    720  CA  TYR A  88      18.735 -29.889  -5.249  1.00 11.18           C  \\nATOM    721  C   TYR A  88      17.515 -30.773  -5.493  1.00 10.20           C  \\nATOM    722  O   TYR A  88      16.374 -30.335  -5.311  1.00 11.44           O  \\nATOM    723  CB  TYR A  88      19.432 -29.606  -6.576  1.00 12.02           C  \\nATOM    724  CG  TYR A  88      18.583 -28.932  -7.610  1.00 13.71           C  \\nATOM    725  CD1 TYR A  88      18.417 -27.497  -7.637  1.00 14.57           C  \\nATOM    726  CD2 TYR A  88      17.953 -29.679  -8.563  1.00 18.15           C  \\nATOM    727  CE1 TYR A  88      17.638 -26.906  -8.601  1.00 14.02           C  \\nATOM    728  CE2 TYR A  88      17.170 -29.092  -9.528  1.00 16.88           C  \\nATOM    729  CZ  TYR A  88      17.019 -27.705  -9.560  1.00 18.17           C  \\nATOM    730  OH  TYR A  88      16.204 -27.127 -10.551  1.00 19.79           O  \\nATOM    731  N   ASP A  89      17.776 -32.049  -5.774  1.00 10.74           N  \\nATOM    732  CA  ASP A  89      16.674 -33.006  -6.065  1.00 12.94           C  \\nATOM    733  C   ASP A  89      15.829 -33.304  -4.823  1.00 12.44           C  \\nATOM    734  O   ASP A  89      14.621 -33.549  -4.925  1.00 13.04           O  \\nATOM    735  CB  ASP A  89      17.194 -34.257  -6.743  1.00 13.12           C  \\nATOM    736  CG  ASP A  89      17.303 -34.074  -8.236  1.00 13.91           C  \\nATOM    737  OD1 ASP A  89      16.892 -33.042  -8.766  1.00 15.52           O  \\nATOM    738  OD2 ASP A  89      17.756 -34.978  -8.898  1.00 21.38           O  \\nATOM    739  N   SER A  90      16.409 -33.106  -3.638  1.00 11.72           N  \\nATOM    740  CA  SER A  90      15.660 -33.220  -2.405  1.00 10.95           C  \\nATOM    741  C   SER A  90      14.740 -32.080  -2.107  1.00 10.69           C  \\nATOM    742  O   SER A  90      13.852 -32.248  -1.280  1.00 12.25           O  \\nATOM    743  CB  SER A  90      16.581 -33.479  -1.198  1.00 12.41           C  \\nATOM    744  OG  SER A  90      17.194 -32.313  -0.763  1.00 11.47           O  \\nATOM    745  N   LEU A  91      14.952 -30.915  -2.737  1.00  9.12           N  \\nATOM    746  CA  LEU A  91      14.219 -29.656  -2.481  1.00 10.06           C  \\nATOM    747  C   LEU A  91      12.899 -29.664  -3.226  1.00 11.73           C  \\nATOM    748  O   LEU A  91      12.775 -30.329  -4.247  1.00 12.75           O  \\nATOM    749  CB  LEU A  91      15.033 -28.380  -2.897  1.00  9.72           C  \\nATOM    750  CG  LEU A  91      16.397 -28.299  -2.172  1.00 10.30           C  \\nATOM    751  CD1 LEU A  91      17.225 -27.138  -2.620  1.00  9.12           C  \\nATOM    752  CD2 LEU A  91      16.127 -28.114  -0.655  1.00  7.71           C  \\nATOM    753  N   ASP A  92      11.901 -29.001  -2.645  1.00  9.35           N  \\nATOM    754  CA  ASP A  92      10.708 -28.583  -3.358  1.00 10.21           C  \\nATOM    755  C   ASP A  92      11.087 -27.496  -4.376  1.00 10.92           C  \\nATOM    756  O   ASP A  92      12.196 -26.961  -4.323  1.00  8.42           O  \\nATOM    757  CB  ASP A  92       9.779 -27.935  -2.344  1.00  9.21           C  \\nATOM    758  CG  ASP A  92      10.462 -26.795  -1.590  1.00 11.69           C  \\nATOM    759  OD1 ASP A  92      10.324 -25.664  -2.069  1.00 11.88           O  \\nATOM    760  OD2 ASP A  92      11.169 -27.048  -0.563  1.00  8.60           O  \\nATOM    761  N   ALA A  93      10.135 -27.105  -5.210  1.00 11.76           N  \\nATOM    762  CA  ALA A  93      10.459 -26.266  -6.361  1.00 11.76           C  \\nATOM    763  C   ALA A  93      10.819 -24.799  -5.973  1.00 12.10           C  \\nATOM    764  O   ALA A  93      11.607 -24.135  -6.660  1.00 13.45           O  \\nATOM    765  CB  ALA A  93       9.300 -26.308  -7.353  1.00 12.18           C  \\nATOM    766  N   VAL A  94      10.265 -24.324  -4.887  1.00 10.43           N  \\nATOM    767  CA  VAL A  94      10.563 -22.938  -4.494  1.00 10.59           C  \\nATOM    768  C   VAL A  94      12.014 -22.930  -3.997  1.00 11.05           C  \\nATOM    769  O   VAL A  94      12.808 -22.118  -4.468  1.00 10.69           O  \\nATOM    770  CB  VAL A  94       9.579 -22.389  -3.465  1.00 10.05           C  \\nATOM    771  CG1 VAL A  94       9.988 -20.922  -3.089  1.00 11.85           C  \\nATOM    772  CG2 VAL A  94       8.204 -22.392  -4.010  1.00 12.61           C  \\nATOM    773  N   ARG A  95      12.371 -23.875  -3.110  1.00  8.92           N  \\nATOM    774  CA  ARG A  95      13.760 -23.926  -2.600  1.00  9.62           C  \\nATOM    775  C   ARG A  95      14.742 -24.247  -3.756  1.00  9.72           C  \\nATOM    776  O   ARG A  95      15.857 -23.756  -3.748  1.00  8.79           O  \\nATOM    777  CB  ARG A  95      13.836 -24.966  -1.488  1.00 11.89           C  \\nATOM    778  CG  ARG A  95      13.277 -24.382  -0.244  1.00 10.80           C  \\nATOM    779  CD  ARG A  95      13.419 -25.320   0.867  1.00 11.93           C  \\nATOM    780  NE  ARG A  95      12.876 -24.781   2.106  1.00 11.55           N  \\nATOM    781  CZ  ARG A  95      11.655 -25.119   2.579  1.00 11.32           C  \\nATOM    782  NH1 ARG A  95      10.848 -25.885   1.879  1.00 12.81           N  \\nATOM    783  NH2 ARG A  95      11.211 -24.679   3.739  1.00 11.15           N  \\nATOM    784  N   ARG A  96      14.345 -25.065  -4.745  1.00  9.12           N  \\nATOM    785  CA AARG A  96      15.185 -25.273  -5.950  0.50  8.63           C  \\nATOM    786  CA BARG A  96      15.176 -25.279  -5.959  0.50  8.79           C  \\nATOM    787  C   ARG A  96      15.495 -23.932  -6.656  1.00  7.08           C  \\nATOM    788  O   ARG A  96      16.568 -23.755  -7.190  1.00  8.19           O  \\nATOM    789  CB AARG A  96      14.515 -26.228  -6.922  0.50  8.23           C  \\nATOM    790  CB BARG A  96      14.503 -26.246  -6.932  0.50  8.34           C  \\nATOM    791  CG AARG A  96      14.768 -27.705  -6.629  0.50  9.50           C  \\nATOM    792  CG BARG A  96      14.639 -27.724  -6.525  0.50 10.32           C  \\nATOM    793  CD AARG A  96      13.742 -28.551  -7.424  0.50 10.51           C  \\nATOM    794  CD BARG A  96      14.291 -28.742  -7.662  0.50  9.14           C  \\nATOM    795  NE AARG A  96      13.699 -29.939  -6.952  0.50  6.20           N  \\nATOM    796  NE BARG A  96      13.056 -28.510  -8.408  0.50  9.17           N  \\nATOM    797  CZ AARG A  96      13.153 -30.933  -7.645  0.50  6.83           C  \\nATOM    798  CZ BARG A  96      11.821 -28.918  -8.093  0.50 11.58           C  \\nATOM    799  NH1AARG A  96      12.587 -30.642  -8.813  0.50  8.36           N  \\nATOM    800  NH1BARG A  96      11.577 -29.569  -6.966  0.50 10.45           N  \\nATOM    801  NH2AARG A  96      13.157 -32.198  -7.165  0.50  5.25           N  \\nATOM    802  NH2BARG A  96      10.794 -28.646  -8.925  0.50 11.70           N  \\nATOM    803  N   CYS A  97      14.542 -22.988  -6.653  1.00  8.69           N  \\nATOM    804  CA  CYS A  97      14.791 -21.653  -7.256  1.00  8.03           C  \\nATOM    805  C   CYS A  97      15.864 -20.875  -6.507  1.00  8.90           C  \\nATOM    806  O   CYS A  97      16.715 -20.228  -7.101  1.00 10.59           O  \\nATOM    807  CB  CYS A  97      13.521 -20.831  -7.294  1.00  7.91           C  \\nATOM    808  SG  CYS A  97      12.333 -21.430  -8.509  1.00 12.20           S  \\nATOM    809  N   ALA A  98      15.833 -21.000  -5.191  1.00  9.06           N  \\nATOM    810  CA  ALA A  98      16.902 -20.479  -4.327  1.00  8.80           C  \\nATOM    811  C   ALA A  98      18.283 -21.031  -4.676  1.00  8.73           C  \\nATOM    812  O   ALA A  98      19.300 -20.264  -4.795  1.00 10.13           O  \\nATOM    813  CB  ALA A  98      16.518 -20.760  -2.798  1.00  5.17           C  \\nATOM    814  N   ALA A  99      18.337 -22.353  -4.875  1.00  8.14           N  \\nATOM    815  CA  ALA A  99      19.545 -22.977  -5.293  1.00  9.46           C  \\nATOM    816  C   ALA A  99      20.063 -22.509  -6.628  1.00  8.72           C  \\nATOM    817  O   ALA A  99      21.288 -22.348  -6.795  1.00  9.14           O  \\nATOM    818  CB  ALA A  99      19.425 -24.530  -5.246  1.00  7.90           C  \\nATOM    819  N   ILE A 100      19.163 -22.333  -7.599  1.00 10.00           N  \\nATOM    820  CA  ILE A 100      19.533 -21.873  -8.925  1.00 11.25           C  \\nATOM    821  C   ILE A 100      20.058 -20.454  -8.854  1.00 10.47           C  \\nATOM    822  O   ILE A 100      21.064 -20.119  -9.507  1.00 10.91           O  \\nATOM    823  CB  ILE A 100      18.330 -21.935  -9.943  1.00 11.12           C  \\nATOM    824  CG1 ILE A 100      17.993 -23.392 -10.240  1.00 11.84           C  \\nATOM    825  CG2 ILE A 100      18.754 -21.252 -11.335  1.00 12.33           C  \\nATOM    826  CD1 ILE A 100      16.597 -23.601 -10.710  1.00 10.89           C  \\nATOM    827  N   ASN A 101      19.396 -19.643  -8.053  1.00  9.60           N  \\nATOM    828  CA  ASN A 101      19.780 -18.251  -7.858  1.00  9.45           C  \\nATOM    829  C   ASN A 101      21.190 -18.228  -7.300  1.00  9.85           C  \\nATOM    830  O   ASN A 101      22.059 -17.570  -7.844  1.00  7.36           O  \\nATOM    831  CB  ASN A 101      18.757 -17.616  -6.863  1.00  9.79           C  \\nATOM    832  CG  ASN A 101      18.899 -16.124  -6.756  1.00 11.86           C  \\nATOM    833  OD1 ASN A 101      20.001 -15.604  -6.532  1.00  8.31           O  \\nATOM    834  ND2 ASN A 101      17.803 -15.423  -6.923  1.00  8.50           N  \\nATOM    835  N   GLN A 102      21.432 -18.962  -6.208  1.00 10.12           N  \\nATOM    836  CA AGLN A 102      22.773 -19.016  -5.648  0.50 10.25           C  \\nATOM    837  CA BGLN A 102      22.780 -19.057  -5.640  0.50 10.50           C  \\nATOM    838  C   GLN A 102      23.869 -19.402  -6.676  1.00 11.18           C  \\nATOM    839  O   GLN A 102      24.889 -18.719  -6.760  1.00 10.66           O  \\nATOM    840  CB AGLN A 102      22.835 -19.912  -4.426  0.50 10.09           C  \\nATOM    841  CB BGLN A 102      22.815 -20.067  -4.510  0.50 10.33           C  \\nATOM    842  CG AGLN A 102      23.964 -19.497  -3.556  0.50  7.11           C  \\nATOM    843  CG BGLN A 102      22.822 -19.432  -3.151  0.50  9.08           C  \\nATOM    844  CD AGLN A 102      24.309 -20.473  -2.472  0.50  6.99           C  \\nATOM    845  CD BGLN A 102      23.305 -20.387  -2.078  0.50  7.94           C  \\nATOM    846  OE1AGLN A 102      24.096 -21.672  -2.600  0.50 12.92           O  \\nATOM    847  OE1BGLN A 102      22.987 -21.565  -2.092  0.50 16.10           O  \\nATOM    848  NE2AGLN A 102      24.931 -19.974  -1.427  0.50  7.77           N  \\nATOM    849  NE2BGLN A 102      24.063 -19.892  -1.164  0.50 10.57           N  \\nATOM    850  N   VAL A 103      23.649 -20.480  -7.431  1.00 10.87           N  \\nATOM    851  CA  VAL A 103      24.582 -20.956  -8.454  1.00 12.09           C  \\nATOM    852  C   VAL A 103      24.760 -19.919  -9.574  1.00 13.15           C  \\nATOM    853  O   VAL A 103      25.904 -19.673  -9.954  1.00 15.38           O  \\nATOM    854  CB  VAL A 103      24.236 -22.345  -8.974  1.00 13.34           C  \\nATOM    855  CG1 VAL A 103      25.129 -22.758 -10.142  1.00 14.34           C  \\nATOM    856  CG2 VAL A 103      24.491 -23.354  -7.840  1.00 11.72           C  \\nATOM    857  N   PHE A 104      23.663 -19.274 -10.027  1.00 12.45           N  \\nATOM    858  CA  PHE A 104      23.679 -18.145 -10.975  1.00 10.68           C  \\nATOM    859  C   PHE A 104      24.623 -17.044 -10.501  1.00 12.64           C  \\nATOM    860  O   PHE A 104      25.468 -16.555 -11.272  1.00 11.51           O  \\nATOM    861  CB  PHE A 104      22.257 -17.576 -11.180  1.00 11.00           C  \\nATOM    862  CG  PHE A 104      22.122 -16.652 -12.320  1.00  8.36           C  \\nATOM    863  CD1 PHE A 104      21.583 -17.092 -13.538  1.00 11.61           C  \\nATOM    864  CD2 PHE A 104      22.466 -15.320 -12.194  1.00  8.67           C  \\nATOM    865  CE1 PHE A 104      21.421 -16.175 -14.612  1.00  9.36           C  \\nATOM    866  CE2 PHE A 104      22.340 -14.431 -13.254  1.00 13.27           C  \\nATOM    867  CZ  PHE A 104      21.822 -14.865 -14.465  1.00 13.38           C  \\nATOM    868  N   GLN A 105      24.502 -16.649  -9.236  1.00 12.72           N  \\nATOM    869  CA  GLN A 105      25.319 -15.563  -8.728  1.00 15.86           C  \\nATOM    870  C   GLN A 105      26.751 -16.004  -8.510  1.00 17.35           C  \\nATOM    871  O   GLN A 105      27.691 -15.248  -8.830  1.00 17.48           O  \\nATOM    872  CB  GLN A 105      24.745 -15.058  -7.405  1.00 15.76           C  \\nATOM    873  CG  GLN A 105      25.578 -13.964  -6.774  1.00 14.27           C  \\nATOM    874  CD  GLN A 105      24.990 -13.465  -5.475  1.00 13.91           C  \\nATOM    875  OE1 GLN A 105      24.073 -14.069  -4.896  1.00 12.77           O  \\nATOM    876  NE2 GLN A 105      25.583 -12.422  -4.952  1.00 12.88           N  \\nATOM    877  N   MET A 106      26.911 -17.182  -7.927  1.00 16.86           N  \\nATOM    878  CA  MET A 106      28.168 -17.555  -7.304  1.00 19.93           C  \\nATOM    879  C   MET A 106      28.992 -18.528  -8.154  1.00 20.32           C  \\nATOM    880  O   MET A 106      30.235 -18.672  -7.947  1.00 19.35           O  \\nATOM    881  CB  MET A 106      27.924 -18.205  -5.934  1.00 18.60           C  \\nATOM    882  CG  MET A 106      27.386 -17.295  -4.850  1.00 21.31           C  \\nATOM    883  SD  MET A 106      27.471 -18.195  -3.241  1.00 24.31           S  \\nATOM    884  CE  MET A 106      29.254 -18.219  -3.077  1.00 21.71           C  \\nATOM    885  N   GLY A 107      28.305 -19.212  -9.072  1.00 19.11           N  \\nATOM    886  CA  GLY A 107      28.899 -20.293  -9.766  1.00 21.79           C  \\nATOM    887  C   GLY A 107      28.906 -21.551  -8.895  1.00 24.35           C  \\nATOM    888  O   GLY A 107      28.893 -21.551  -7.636  1.00 24.08           O  \\nATOM    889  N   GLU A 108      28.923 -22.661  -9.585  1.00 26.03           N  \\nATOM    890  CA  GLU A 108      28.804 -23.952  -8.941  1.00 27.70           C  \\nATOM    891  C   GLU A 108      30.069 -24.412  -8.154  1.00 28.39           C  \\nATOM    892  O   GLU A 108      29.948 -25.152  -7.168  1.00 30.18           O  \\nATOM    893  CB  GLU A 108      28.274 -24.891 -10.014  1.00 28.40           C  \\nATOM    894  CG  GLU A 108      28.614 -26.283  -9.905  1.00 30.02           C  \\nATOM    895  CD  GLU A 108      28.600 -26.900 -11.263  1.00 32.60           C  \\nATOM    896  OE1 GLU A 108      27.873 -26.389 -12.154  1.00 29.69           O  \\nATOM    897  OE2 GLU A 108      29.348 -27.896 -11.440  1.00 38.04           O  \\nATOM    898  N   THR A 109      31.250 -23.886  -8.486  0.50 27.47           N  \\nATOM    899  CA  THR A 109      32.414 -23.973  -7.598  0.50 26.96           C  \\nATOM    900  C   THR A 109      32.076 -23.316  -6.277  0.50 27.19           C  \\nATOM    901  O   THR A 109      32.057 -23.938  -5.197  0.50 26.88           O  \\nATOM    902  CB  THR A 109      33.597 -23.192  -8.190  0.50 26.80           C  \\nATOM    903  OG1 THR A 109      34.004 -23.821  -9.398  0.50 25.74           O  \\nATOM    904  CG2 THR A 109      34.768 -23.122  -7.219  0.50 26.77           C  \\nATOM    905  N   GLY A 110      31.829 -22.023  -6.405  1.00 27.36           N  \\nATOM    906  CA  GLY A 110      31.351 -21.143  -5.339  1.00 27.49           C  \\nATOM    907  C   GLY A 110      30.484 -21.680  -4.232  1.00 26.84           C  \\nATOM    908  O   GLY A 110      30.497 -21.143  -3.107  0.50 26.84           O  \\nATOM    909  N   VAL A 111      29.723 -22.732  -4.522  1.00 26.45           N  \\nATOM    910  CA  VAL A 111      28.772 -23.259  -3.532  1.00 26.47           C  \\nATOM    911  C   VAL A 111      28.878 -24.772  -3.281  1.00 25.98           C  \\nATOM    912  O   VAL A 111      28.406 -25.246  -2.229  1.00 26.31           O  \\nATOM    913  CB  VAL A 111      27.296 -22.956  -3.901  1.00 26.12           C  \\nATOM    914  CG1 VAL A 111      27.140 -21.547  -4.341  1.00 27.99           C  \\nATOM    915  CG2 VAL A 111      26.880 -23.853  -5.024  1.00 28.79           C  \\nATOM    916  N   ALA A 112      29.420 -25.534  -4.240  0.50 23.07           N  \\nATOM    917  CA  ALA A 112      29.546 -26.957  -4.037  0.50 21.62           C  \\nATOM    918  C   ALA A 112      30.355 -27.117  -2.781  0.50 20.44           C  \\nATOM    919  O   ALA A 112      30.278 -28.151  -2.113  0.50 19.71           O  \\nATOM    920  CB  ALA A 112      30.236 -27.620  -5.226  0.50 20.80           C  \\nATOM    921  N   GLY A 113      31.132 -26.077  -2.463  0.50 20.03           N  \\nATOM    922  CA  GLY A 113      31.970 -26.087  -1.267  0.50 20.03           C  \\nATOM    923  C   GLY A 113      31.194 -25.989   0.020  0.50 20.96           C  \\nATOM    924  O   GLY A 113      31.684 -26.463   1.023  0.50 21.46           O  \\nATOM    925  N   PHE A 114      29.986 -25.378  -0.004  0.50 21.11           N  \\nATOM    926  CA  PHE A 114      29.126 -25.087   1.195  1.00 20.65           C  \\nATOM    927  C   PHE A 114      28.571 -26.368   1.851  1.00 20.80           C  \\nATOM    928  O   PHE A 114      27.332 -26.502   2.086  1.00 20.43           O  \\nATOM    929  CB  PHE A 114      27.883 -24.332   0.771  1.00 20.55           C  \\nATOM    930  CG  PHE A 114      28.052 -22.879   0.652  1.00 21.45           C  \\nATOM    931  CD1 PHE A 114      29.220 -22.324   0.121  1.00 22.63           C  \\nATOM    932  CD2 PHE A 114      27.034 -22.035   1.068  1.00 21.02           C  \\nATOM    933  CE1 PHE A 114      29.361 -20.954  -0.006  1.00 22.30           C  \\nATOM    934  CE2 PHE A 114      27.166 -20.649   0.963  1.00 21.56           C  \\nATOM    935  CZ  PHE A 114      28.325 -20.124   0.398  1.00 17.62           C  \\nATOM    936  N   THR A 115      29.475 -27.271   2.169  1.00 20.48           N  \\nATOM    937  CA  THR A 115      29.179 -28.577   2.662  1.00 20.41           C  \\nATOM    938  C   THR A 115      28.165 -28.563   3.794  1.00 20.50           C  \\nATOM    939  O   THR A 115      27.201 -29.262   3.708  1.00 20.84           O  \\nATOM    940  CB  THR A 115      30.501 -29.245   3.078  1.00 20.89           C  \\nATOM    941  OG1 THR A 115      31.424 -29.087   1.987  1.00 23.33           O  \\nATOM    942  CG2 THR A 115      30.335 -30.728   3.347  1.00 18.66           C  \\nATOM    943  N   ASN A 116      28.371 -27.746   4.839  1.00 18.21           N  \\nATOM    944  CA  ASN A 116      27.469 -27.822   5.988  1.00 17.50           C  \\nATOM    945  C   ASN A 116      26.065 -27.346   5.652  1.00 13.78           C  \\nATOM    946  O   ASN A 116      25.105 -27.922   6.095  1.00 13.64           O  \\nATOM    947  CB  ASN A 116      28.106 -27.124   7.250  1.00 17.58           C  \\nATOM    948  CG  ASN A 116      29.504 -27.696   7.556  1.00 24.31           C  \\nATOM    949  OD1 ASN A 116      29.717 -28.907   7.411  1.00 29.56           O  \\nATOM    950  ND2 ASN A 116      30.470 -26.841   7.880  1.00 20.62           N  \\nATOM    951  N   SER A 117      25.952 -26.296   4.848  1.00 14.67           N  \\nATOM    952  CA  SER A 117      24.664 -25.789   4.444  1.00 12.70           C  \\nATOM    953  C   SER A 117      23.935 -26.835   3.589  1.00 13.95           C  \\nATOM    954  O   SER A 117      22.726 -26.999   3.751  1.00 11.13           O  \\nATOM    955  CB  SER A 117      24.749 -24.492   3.610  1.00 13.93           C  \\nATOM    956  OG  SER A 117      24.987 -23.395   4.421  1.00 16.91           O  \\nATOM    957  N   LEU A 118      24.680 -27.490   2.672  1.00 12.01           N  \\nATOM    958  CA  LEU A 118      24.140 -28.552   1.825  1.00 11.90           C  \\nATOM    959  C   LEU A 118      23.588 -29.687   2.682  1.00 12.14           C  \\nATOM    960  O   LEU A 118      22.451 -30.094   2.500  1.00 13.71           O  \\nATOM    961  CB  LEU A 118      25.203 -29.056   0.878  1.00 13.88           C  \\nATOM    962  CG  LEU A 118      25.595 -28.144  -0.309  1.00 12.09           C  \\nATOM    963  CD1 LEU A 118      26.960 -28.688  -0.910  1.00 13.87           C  \\nATOM    964  CD2 LEU A 118      24.462 -28.057  -1.353  1.00 16.87           C  \\nATOM    965  N   ARG A 119      24.386 -30.183   3.633  1.00 11.98           N  \\nATOM    966  CA  ARG A 119      23.886 -31.245   4.515  1.00 11.24           C  \\nATOM    967  C   ARG A 119      22.593 -30.742   5.202  1.00 11.22           C  \\nATOM    968  O   ARG A 119      21.570 -31.410   5.227  1.00  8.74           O  \\nATOM    969  CB  ARG A 119      24.954 -31.713   5.499  1.00 11.08           C  \\nATOM    970  CG  ARG A 119      24.600 -32.960   6.276  1.00 10.79           C  \\nATOM    971  CD  ARG A 119      25.527 -33.168   7.535  1.00 16.78           C  \\nATOM    972  NE  ARG A 119      25.625 -31.919   8.307  1.00 21.45           N  \\nATOM    973  CZ  ARG A 119      26.668 -31.083   8.324  1.00 29.04           C  \\nATOM    974  NH1 ARG A 119      26.543 -29.952   9.036  1.00 30.09           N  \\nATOM    975  NH2 ARG A 119      27.812 -31.376   7.662  1.00 25.65           N  \\nATOM    976  N   MET A 120      22.583 -29.522   5.725  1.00  9.62           N  \\nATOM    977  CA  MET A 120      21.418 -29.091   6.484  1.00 11.98           C  \\nATOM    978  C   MET A 120      20.134 -28.959   5.604  1.00 11.50           C  \\nATOM    979  O   MET A 120      19.002 -29.260   6.022  1.00  9.90           O  \\nATOM    980  CB  MET A 120      21.732 -27.796   7.222  1.00 11.41           C  \\nATOM    981  CG  MET A 120      22.750 -28.005   8.432  1.00 14.40           C  \\nATOM    982  SD  MET A 120      23.272 -26.344   8.882  1.00 16.62           S  \\nATOM    983  CE  MET A 120      24.670 -26.596   9.954  1.00 12.89           C  \\nATOM    984  N   LEU A 121      20.353 -28.505   4.371  1.00  8.95           N  \\nATOM    985  CA  LEU A 121      19.268 -28.354   3.446  1.00 10.95           C  \\nATOM    986  C   LEU A 121      18.731 -29.725   3.085  1.00  9.95           C  \\nATOM    987  O   LEU A 121      17.498 -29.930   3.091  1.00 10.79           O  \\nATOM    988  CB  LEU A 121      19.741 -27.609   2.202  1.00  9.04           C  \\nATOM    989  CG  LEU A 121      19.936 -26.112   2.375  1.00 11.90           C  \\nATOM    990  CD1 LEU A 121      20.679 -25.667   1.152  1.00 13.70           C  \\nATOM    991  CD2 LEU A 121      18.519 -25.356   2.591  1.00 11.27           C  \\nATOM    992  N   GLN A 122      19.663 -30.658   2.845  1.00 10.83           N  \\nATOM    993  CA  GLN A 122      19.257 -32.019   2.510  1.00 12.46           C  \\nATOM    994  C   GLN A 122      18.462 -32.615   3.648  1.00 12.54           C  \\nATOM    995  O   GLN A 122      17.474 -33.322   3.407  1.00 14.71           O  \\nATOM    996  CB  GLN A 122      20.407 -32.970   2.112  1.00 12.14           C  \\nATOM    997  CG  GLN A 122      19.742 -34.131   1.363  1.00 18.62           C  \\nATOM    998  CD  GLN A 122      20.606 -35.004   0.544  1.00 24.30           C  \\nATOM    999  OE1 GLN A 122      21.807 -34.819   0.482  1.00 27.12           O  \\nATOM   1000  NE2 GLN A 122      19.977 -36.021  -0.112  1.00 29.08           N  \\nATOM   1001  N   GLN A 123      18.911 -32.317   4.870  1.00 10.26           N  \\nATOM   1002  CA  GLN A 123      18.208 -32.763   6.077  1.00 12.09           C  \\nATOM   1003  C   GLN A 123      16.931 -32.015   6.330  1.00 10.49           C  \\nATOM   1004  O   GLN A 123      16.200 -32.435   7.234  1.00 10.22           O  \\nATOM   1005  CB  GLN A 123      19.106 -32.643   7.291  1.00 12.65           C  \\nATOM   1006  CG  GLN A 123      20.318 -33.565   7.214  1.00 14.54           C  \\nATOM   1007  CD  GLN A 123      21.269 -33.210   8.330  1.00 20.20           C  \\nATOM   1008  OE1 GLN A 123      21.588 -32.053   8.569  1.00 23.54           O  \\nATOM   1009  NE2 GLN A 123      21.653 -34.202   9.077  1.00 21.25           N  \\nATOM   1010  N   LYS A 124      16.695 -30.900   5.600  1.00  8.77           N  \\nATOM   1011  CA  LYS A 124      15.551 -30.031   5.775  1.00  9.57           C  \\nATOM   1012  C   LYS A 124      15.472 -29.396   7.157  1.00 10.32           C  \\nATOM   1013  O   LYS A 124      14.365 -29.133   7.691  1.00  8.99           O  \\nATOM   1014  CB  LYS A 124      14.224 -30.803   5.496  1.00 10.84           C  \\nATOM   1015  CG  LYS A 124      14.247 -31.517   4.127  1.00 10.03           C  \\nATOM   1016  CD  LYS A 124      12.790 -31.774   3.726  1.00 14.12           C  \\nATOM   1017  CE  LYS A 124      12.723 -32.564   2.425  1.00 13.03           C  \\nATOM   1018  NZ  LYS A 124      13.073 -31.565   1.389  1.00 11.75           N  \\nATOM   1019  N   ARG A 125      16.657 -29.170   7.740  1.00 11.02           N  \\nATOM   1020  CA  ARG A 125      16.816 -28.343   8.953  1.00 11.19           C  \\nATOM   1021  C   ARG A 125      16.901 -26.896   8.502  1.00 10.83           C  \\nATOM   1022  O   ARG A 125      17.994 -26.317   8.404  1.00  9.31           O  \\nATOM   1023  CB  ARG A 125      18.113 -28.762   9.609  1.00 11.56           C  \\nATOM   1024  CG  ARG A 125      18.068 -30.214  10.018  1.00 14.82           C  \\nATOM   1025  CD  ARG A 125      19.232 -30.566  10.788  1.00 17.30           C  \\nATOM   1026  NE  ARG A 125      18.951 -31.901  11.151  1.00 22.23           N  \\nATOM   1027  CZ  ARG A 125      19.706 -32.652  11.923  1.00 24.26           C  \\nATOM   1028  NH1 ARG A 125      20.837 -32.148  12.432  1.00 24.36           N  \\nATOM   1029  NH2 ARG A 125      19.320 -33.899  12.188  1.00 20.48           N  \\nATOM   1030  N   TRP A 126      15.746 -26.337   8.198  1.00 11.50           N  \\nATOM   1031  CA  TRP A 126      15.685 -25.119   7.433  1.00 11.31           C  \\nATOM   1032  C   TRP A 126      16.275 -23.953   8.184  1.00 10.57           C  \\nATOM   1033  O   TRP A 126      17.036 -23.165   7.611  1.00 10.01           O  \\nATOM   1034  CB  TRP A 126      14.257 -24.802   7.082  1.00 10.69           C  \\nATOM   1035  CG  TRP A 126      13.613 -25.871   6.252  1.00 10.97           C  \\nATOM   1036  CD1 TRP A 126      12.358 -26.454   6.493  1.00 10.96           C  \\nATOM   1037  CD2 TRP A 126      14.107 -26.481   5.039  1.00  8.18           C  \\nATOM   1038  NE1 TRP A 126      12.061 -27.350   5.497  1.00  7.24           N  \\nATOM   1039  CE2 TRP A 126      13.098 -27.377   4.586  1.00  7.76           C  \\nATOM   1040  CE3 TRP A 126      15.290 -26.325   4.258  1.00  8.21           C  \\nATOM   1041  CZ2 TRP A 126      13.245 -28.152   3.432  1.00  9.89           C  \\nATOM   1042  CZ3 TRP A 126      15.435 -27.102   3.119  1.00 11.23           C  \\nATOM   1043  CH2 TRP A 126      14.409 -28.011   2.710  1.00 12.37           C  \\nATOM   1044  N   ASP A 127      15.907 -23.826   9.446  1.00 10.56           N  \\nATOM   1045  CA  ASP A 127      16.403 -22.699  10.270  1.00 11.21           C  \\nATOM   1046  C   ASP A 127      17.898 -22.777  10.490  1.00 12.06           C  \\nATOM   1047  O   ASP A 127      18.585 -21.791  10.363  1.00 10.46           O  \\nATOM   1048  CB  ASP A 127      15.672 -22.650  11.597  1.00 11.48           C  \\nATOM   1049  CG  ASP A 127      14.328 -21.976  11.482  1.00 13.96           C  \\nATOM   1050  OD1 ASP A 127      13.703 -21.980  10.412  1.00 16.32           O  \\nATOM   1051  OD2 ASP A 127      13.868 -21.460  12.516  1.00 16.07           O  \\nATOM   1052  N   GLU A 128      18.406 -23.969  10.754  1.00 11.28           N  \\nATOM   1053  CA  GLU A 128      19.822 -24.183  10.852  1.00 10.84           C  \\nATOM   1054  C   GLU A 128      20.590 -23.895   9.551  1.00  9.95           C  \\nATOM   1055  O   GLU A 128      21.689 -23.278   9.605  1.00 10.56           O  \\nATOM   1056  CB  GLU A 128      20.059 -25.637  11.273  1.00 12.35           C  \\nATOM   1057  CG  GLU A 128      19.654 -25.892  12.743  1.00 14.29           C  \\nATOM   1058  CD  GLU A 128      19.518 -27.371  13.042  1.00 23.59           C  \\nATOM   1059  OE1 GLU A 128      20.571 -27.988  13.244  1.00 28.03           O  \\nATOM   1060  OE2 GLU A 128      18.393 -27.936  13.004  1.00 22.82           O  \\nATOM   1061  N   ALA A 129      20.059 -24.427   8.412  1.00  9.52           N  \\nATOM   1062  CA  ALA A 129      20.614 -24.150   7.121  1.00  8.08           C  \\nATOM   1063  C   ALA A 129      20.664 -22.660   6.960  1.00  9.66           C  \\nATOM   1064  O   ALA A 129      21.700 -22.135   6.548  1.00 10.47           O  \\nATOM   1065  CB  ALA A 129      19.752 -24.760   5.994  1.00  9.66           C  \\nATOM   1066  N   ALA A 130      19.540 -21.985   7.223  1.00  8.59           N  \\nATOM   1067  CA  ALA A 130      19.482 -20.501   7.031  1.00  9.27           C  \\nATOM   1068  C   ALA A 130      20.574 -19.751   7.877  1.00 11.55           C  \\nATOM   1069  O   ALA A 130      21.278 -18.835   7.360  1.00  9.06           O  \\nATOM   1070  CB  ALA A 130      18.069 -19.952   7.273  1.00 11.90           C  \\nATOM   1071  N   VAL A 131      20.722 -20.142   9.168  1.00  9.05           N  \\nATOM   1072  CA  VAL A 131      21.816 -19.616   9.977  1.00  9.62           C  \\nATOM   1073  C   VAL A 131      23.230 -19.906   9.329  1.00 10.40           C  \\nATOM   1074  O   VAL A 131      24.079 -18.998   9.194  1.00 11.43           O  \\nATOM   1075  CB  VAL A 131      21.717 -20.155  11.429  1.00  9.12           C  \\nATOM   1076  CG1 VAL A 131      23.013 -19.853  12.229  1.00  8.74           C  \\nATOM   1077  CG2 VAL A 131      20.483 -19.699  12.090  1.00  7.97           C  \\nATOM   1078  N   ASN A 132      23.468 -21.140   8.902  1.00  8.63           N  \\nATOM   1079  CA  ASN A 132      24.738 -21.475   8.298  1.00  9.35           C  \\nATOM   1080  C   ASN A 132      25.009 -20.676   6.989  1.00 10.31           C  \\nATOM   1081  O   ASN A 132      26.130 -20.183   6.752  1.00 11.19           O  \\nATOM   1082  CB  ASN A 132      24.859 -22.983   8.098  1.00 10.23           C  \\nATOM   1083  CG  ASN A 132      26.243 -23.402   7.634  1.00  9.00           C  \\nATOM   1084  OD1 ASN A 132      26.518 -23.466   6.454  1.00 10.71           O  \\nATOM   1085  ND2 ASN A 132      27.157 -23.579   8.585  1.00 12.84           N  \\nATOM   1086  N   LEU A 133      23.994 -20.536   6.159  1.00 10.56           N  \\nATOM   1087  CA  LEU A 133      24.183 -19.848   4.879  1.00 10.42           C  \\nATOM   1088  C   LEU A 133      24.692 -18.414   5.076  1.00 11.53           C  \\nATOM   1089  O   LEU A 133      25.361 -17.880   4.204  1.00  9.09           O  \\nATOM   1090  CB  LEU A 133      22.847 -19.880   4.082  1.00 12.47           C  \\nATOM   1091  CG  LEU A 133      22.511 -21.243   3.411  1.00 11.75           C  \\nATOM   1092  CD1 LEU A 133      21.076 -21.166   2.998  1.00 14.40           C  \\nATOM   1093  CD2 LEU A 133      23.509 -21.430   2.218  1.00 10.18           C  \\nATOM   1094  N   ALA A 134      24.244 -17.761   6.164  1.00  9.86           N  \\nATOM   1095  CA  ALA A 134      24.515 -16.342   6.376  1.00 11.13           C  \\nATOM   1096  C   ALA A 134      25.937 -16.135   6.860  1.00 10.53           C  \\nATOM   1097  O   ALA A 134      26.468 -15.019   6.763  1.00 13.61           O  \\nATOM   1098  CB  ALA A 134      23.540 -15.727   7.359  1.00  6.79           C  \\nATOM   1099  N   LYS A 135      26.521 -17.176   7.420  1.00 10.88           N  \\nATOM   1100  CA  LYS A 135      27.938 -17.210   7.824  1.00 12.29           C  \\nATOM   1101  C   LYS A 135      28.867 -17.317   6.622  1.00 10.63           C  \\nATOM   1102  O   LYS A 135      29.602 -18.282   6.499  1.00 11.00           O  \\nATOM   1103  CB  LYS A 135      28.212 -18.324   8.874  1.00 10.79           C  \\nATOM   1104  CG  LYS A 135      27.435 -18.174  10.139  1.00 12.16           C  \\nATOM   1105  CD  LYS A 135      27.536 -19.419  11.051  1.00 14.53           C  \\nATOM   1106  CE  LYS A 135      27.007 -19.193  12.427  0.50 14.32           C  \\nATOM   1107  NZ  LYS A 135      26.869 -20.512  13.183  0.50  7.91           N  \\nATOM   1108  N   SER A 136      28.856 -16.325   5.707  1.00  9.25           N  \\nATOM   1109  CA  SER A 136      29.565 -16.487   4.458  1.00  7.74           C  \\nATOM   1110  C   SER A 136      29.969 -15.082   3.896  1.00  8.32           C  \\nATOM   1111  O   SER A 136      29.318 -14.072   4.224  1.00  5.92           O  \\nATOM   1112  CB  SER A 136      28.638 -17.216   3.471  1.00  6.70           C  \\nATOM   1113  OG  SER A 136      27.458 -16.399   3.154  1.00  7.37           O  \\nATOM   1114  N   ARG A 137      31.044 -15.062   3.103  1.00  9.64           N  \\nATOM   1115  CA  ARG A 137      31.454 -13.895   2.335  1.00  9.18           C  \\nATOM   1116  C   ARG A 137      30.303 -13.518   1.444  1.00  9.66           C  \\nATOM   1117  O   ARG A 137      29.933 -12.374   1.386  1.00 10.57           O  \\nATOM   1118  CB  ARG A 137      32.711 -14.249   1.451  1.00  9.58           C  \\nATOM   1119  CG  ARG A 137      32.909 -13.118   0.439  1.00 13.45           C  \\nATOM   1120  CD  ARG A 137      34.044 -13.289  -0.494  1.00 19.25           C  \\nATOM   1121  NE  ARG A 137      34.397 -11.993  -1.080  1.00 21.02           N  \\nATOM   1122  CZ  ARG A 137      33.786 -11.405  -2.111  1.00 22.67           C  \\nATOM   1123  NH1 ARG A 137      32.706 -11.928  -2.706  1.00 20.47           N  \\nATOM   1124  NH2 ARG A 137      34.260 -10.228  -2.523  1.00 19.29           N  \\nATOM   1125  N   TRP A 138      29.623 -14.521   0.885  1.00 11.03           N  \\nATOM   1126  CA  TRP A 138      28.437 -14.316   0.098  1.00 11.24           C  \\nATOM   1127  C   TRP A 138      27.454 -13.347   0.764  1.00 11.55           C  \\nATOM   1128  O   TRP A 138      27.027 -12.314   0.188  1.00  9.89           O  \\nATOM   1129  CB  TRP A 138      27.744 -15.665  -0.146  1.00 10.91           C  \\nATOM   1130  CG  TRP A 138      26.395 -15.538  -0.873  1.00 12.27           C  \\nATOM   1131  CD1 TRP A 138      26.133 -14.884  -2.074  1.00 12.34           C  \\nATOM   1132  CD2 TRP A 138      25.152 -16.132  -0.462  1.00 12.34           C  \\nATOM   1133  NE1 TRP A 138      24.792 -15.025  -2.412  1.00 13.37           N  \\nATOM   1134  CE2 TRP A 138      24.172 -15.788  -1.447  1.00 11.66           C  \\nATOM   1135  CE3 TRP A 138      24.760 -16.870   0.682  1.00 12.11           C  \\nATOM   1136  CZ2 TRP A 138      22.839 -16.176  -1.361  1.00  8.21           C  \\nATOM   1137  CZ3 TRP A 138      23.431 -17.296   0.779  1.00 10.35           C  \\nATOM   1138  CH2 TRP A 138      22.456 -16.924  -0.247  1.00 14.47           C  \\nATOM   1139  N   TYR A 139      27.012 -13.737   1.949  1.00 11.34           N  \\nATOM   1140  CA  TYR A 139      26.026 -12.943   2.704  1.00 11.23           C  \\nATOM   1141  C   TYR A 139      26.575 -11.534   3.036  1.00  9.47           C  \\nATOM   1142  O   TYR A 139      25.897 -10.529   2.916  1.00 10.38           O  \\nATOM   1143  CB  TYR A 139      25.734 -13.665   4.018  1.00 12.01           C  \\nATOM   1144  CG  TYR A 139      24.693 -12.895   4.795  1.00 12.94           C  \\nATOM   1145  CD1 TYR A 139      23.352 -13.084   4.521  1.00 12.59           C  \\nATOM   1146  CD2 TYR A 139      25.067 -11.908   5.717  1.00 19.30           C  \\nATOM   1147  CE1 TYR A 139      22.350 -12.339   5.171  1.00 16.64           C  \\nATOM   1148  CE2 TYR A 139      24.090 -11.131   6.385  1.00 21.33           C  \\nATOM   1149  CZ  TYR A 139      22.735 -11.330   6.092  1.00 22.30           C  \\nATOM   1150  OH  TYR A 139      21.753 -10.556   6.754  1.00 24.45           O  \\nATOM   1151  N   ASN A 140      27.821 -11.472   3.470  1.00 10.13           N  \\nATOM   1152  CA  ASN A 140      28.380 -10.204   3.913  1.00  9.96           C  \\nATOM   1153  C   ASN A 140      28.594  -9.261   2.758  1.00  9.63           C  \\nATOM   1154  O   ASN A 140      28.414  -8.085   2.964  1.00 11.53           O  \\nATOM   1155  CB  ASN A 140      29.645 -10.332   4.669  1.00 11.45           C  \\nATOM   1156  CG  ASN A 140      29.432 -10.943   5.998  1.00 16.67           C  \\nATOM   1157  OD1 ASN A 140      29.744 -12.139   6.227  1.00 16.40           O  \\nATOM   1158  ND2 ASN A 140      28.909 -10.137   6.916  1.00 18.71           N  \\nATOM   1159  N   GLN A 141      28.875  -9.770   1.578  1.00  8.18           N  \\nATOM   1160  CA  GLN A 141      29.117  -8.909   0.408  1.00  9.37           C  \\nATOM   1161  C   GLN A 141      27.830  -8.437  -0.224  1.00  9.01           C  \\nATOM   1162  O   GLN A 141      27.732  -7.271  -0.722  1.00 10.59           O  \\nATOM   1163  CB  GLN A 141      30.005  -9.606  -0.625  1.00  9.35           C  \\nATOM   1164  CG  GLN A 141      31.492  -9.894  -0.173  1.00 13.96           C  \\nATOM   1165  CD  GLN A 141      32.188  -8.695   0.540  1.00 14.24           C  \\nATOM   1166  OE1 GLN A 141      32.719  -8.840   1.666  1.00 12.50           O  \\nATOM   1167  NE2 GLN A 141      32.211  -7.514  -0.159  1.00 14.10           N  \\nATOM   1168  N   THR A 142      26.849  -9.334  -0.296  1.00  7.29           N  \\nATOM   1169  CA  THR A 142      25.546  -8.991  -0.865  1.00  8.08           C  \\nATOM   1170  C   THR A 142      24.452  -9.380   0.129  1.00  8.74           C  \\nATOM   1171  O   THR A 142      23.703 -10.369  -0.122  1.00  8.55           O  \\nATOM   1172  CB  THR A 142      25.294  -9.708  -2.292  1.00  8.81           C  \\nATOM   1173  OG1 THR A 142      25.507 -11.144  -2.185  1.00 10.19           O  \\nATOM   1174  CG2 THR A 142      26.232  -9.107  -3.351  1.00  8.35           C  \\nATOM   1175  N   PRO A 143      24.377  -8.678   1.270  1.00 10.31           N  \\nATOM   1176  CA  PRO A 143      23.436  -9.139   2.315  1.00 10.69           C  \\nATOM   1177  C   PRO A 143      21.985  -9.007   1.926  1.00 11.77           C  \\nATOM   1178  O   PRO A 143      21.181  -9.846   2.330  1.00 13.01           O  \\nATOM   1179  CB  PRO A 143      23.788  -8.212   3.547  1.00 10.60           C  \\nATOM   1180  CG  PRO A 143      24.424  -7.016   2.957  1.00 12.90           C  \\nATOM   1181  CD  PRO A 143      25.164  -7.483   1.737  1.00  8.51           C  \\nATOM   1182  N   ASP A 144      21.612  -7.977   1.170  1.00  9.27           N  \\nATOM   1183  CA  ASP A 144      20.178  -7.796   0.924  1.00 10.93           C  \\nATOM   1184  C   ASP A 144      19.654  -8.950   0.028  1.00 10.02           C  \\nATOM   1185  O   ASP A 144      18.618  -9.573   0.307  1.00  6.13           O  \\nATOM   1186  CB  ASP A 144      19.906  -6.399   0.349  1.00 10.61           C  \\nATOM   1187  CG  ASP A 144      20.068  -5.269   1.463  1.00 12.99           C  \\nATOM   1188  OD1 ASP A 144      20.160  -5.566   2.651  1.00 19.65           O  \\nATOM   1189  OD2 ASP A 144      20.125  -4.131   1.116  1.00 20.27           O  \\nATOM   1190  N   ARG A 145      20.455  -9.241  -0.987  1.00  8.94           N  \\nATOM   1191  CA  ARG A 145      20.138 -10.336  -1.897  1.00 10.43           C  \\nATOM   1192  C   ARG A 145      20.211 -11.686  -1.194  1.00  9.22           C  \\nATOM   1193  O   ARG A 145      19.344 -12.520  -1.358  1.00  9.97           O  \\nATOM   1194  CB  ARG A 145      21.075 -10.344  -3.101  1.00 11.14           C  \\nATOM   1195  CG  ARG A 145      20.485 -11.315  -4.193  1.00 11.36           C  \\nATOM   1196  CD  ARG A 145      21.577 -11.846  -4.946  1.00 16.41           C  \\nATOM   1197  NE  ARG A 145      21.239 -12.817  -5.951  1.00 13.85           N  \\nATOM   1198  CZ  ARG A 145      21.814 -12.769  -7.147  1.00 14.83           C  \\nATOM   1199  NH1 ARG A 145      22.651 -11.764  -7.404  1.00 12.25           N  \\nATOM   1200  NH2 ARG A 145      21.533 -13.680  -8.075  1.00 10.86           N  \\nATOM   1201  N   ALA A 146      21.291 -11.919  -0.470  1.00 10.54           N  \\nATOM   1202  CA  ALA A 146      21.522 -13.175   0.219  1.00  8.75           C  \\nATOM   1203  C   ALA A 146      20.360 -13.395   1.244  1.00  9.60           C  \\nATOM   1204  O   ALA A 146      19.936 -14.521   1.446  1.00  9.60           O  \\nATOM   1205  CB  ALA A 146      22.907 -13.178   0.919  1.00 10.90           C  \\nATOM   1206  N   LYS A 147      19.917 -12.329   1.930  1.00  9.35           N  \\nATOM   1207  CA ALYS A 147      18.779 -12.380   2.883  0.50  9.70           C  \\nATOM   1208  CA BLYS A 147      18.806 -12.458   2.883  0.50  9.35           C  \\nATOM   1209  C   LYS A 147      17.519 -12.911   2.181  1.00  9.60           C  \\nATOM   1210  O   LYS A 147      16.809 -13.793   2.698  1.00  9.12           O  \\nATOM   1211  CB ALYS A 147      18.498 -10.981   3.453  0.50 10.21           C  \\nATOM   1212  CB BLYS A 147      18.603 -11.141   3.600  0.50  9.10           C  \\nATOM   1213  CG ALYS A 147      19.370 -10.521   4.638  0.50 11.22           C  \\nATOM   1214  CG BLYS A 147      17.454 -11.101   4.574  0.50  6.22           C  \\nATOM   1215  CD ALYS A 147      19.328  -8.952   4.874  0.50  8.64           C  \\nATOM   1216  CD BLYS A 147      17.268  -9.648   5.044  0.50  7.29           C  \\nATOM   1217  CE ALYS A 147      20.131  -8.574   6.141  0.50 13.87           C  \\nATOM   1218  CE BLYS A 147      18.370  -9.164   5.948  0.50  8.48           C  \\nATOM   1219  NZ ALYS A 147      19.929  -7.106   6.677  0.50 15.97           N  \\nATOM   1220  NZ BLYS A 147      17.931  -7.858   6.603  0.50 16.66           N  \\nATOM   1221  N   ARG A 148      17.234 -12.360   0.991  1.00  8.37           N  \\nATOM   1222  CA  ARG A 148      16.067 -12.838   0.171  1.00  8.61           C  \\nATOM   1223  C   ARG A 148      16.233 -14.314  -0.189  1.00  8.22           C  \\nATOM   1224  O   ARG A 148      15.310 -15.053  -0.090  1.00  7.25           O  \\nATOM   1225  CB  ARG A 148      15.944 -12.055  -1.149  1.00  9.76           C  \\nATOM   1226  CG  ARG A 148      15.473 -10.615  -0.941  1.00  9.47           C  \\nATOM   1227  CD  ARG A 148      14.955 -10.035  -2.231  1.00 11.55           C  \\nATOM   1228  NE  ARG A 148      16.083  -9.749  -3.139  1.00  9.12           N  \\nATOM   1229  CZ  ARG A 148      16.892  -8.676  -3.062  1.00 12.62           C  \\nATOM   1230  NH1 ARG A 148      16.699  -7.768  -2.117  1.00 11.46           N  \\nATOM   1231  NH2 ARG A 148      17.889  -8.526  -3.954  1.00  7.84           N  \\nATOM   1232  N   VAL A 149      17.429 -14.750  -0.595  1.00  9.31           N  \\nATOM   1233  CA  VAL A 149      17.599 -16.132  -1.123  1.00  7.43           C  \\nATOM   1234  C   VAL A 149      17.571 -17.102   0.084  1.00  9.63           C  \\nATOM   1235  O   VAL A 149      16.940 -18.198   0.029  1.00 10.27           O  \\nATOM   1236  CB  VAL A 149      18.979 -16.230  -1.786  1.00  8.60           C  \\nATOM   1237  CG1 VAL A 149      19.371 -17.719  -2.042  1.00  8.06           C  \\nATOM   1238  CG2 VAL A 149      18.972 -15.349  -3.090  1.00  7.73           C  \\nATOM   1239  N   ILE A 150      18.222 -16.666   1.177  1.00  9.83           N  \\nATOM   1240  CA  ILE A 150      18.142 -17.430   2.438  1.00 11.08           C  \\nATOM   1241  C   ILE A 150      16.717 -17.579   2.946  1.00 11.53           C  \\nATOM   1242  O   ILE A 150      16.341 -18.670   3.374  1.00 11.02           O  \\nATOM   1243  CB  ILE A 150      19.001 -16.834   3.572  1.00  9.45           C  \\nATOM   1244  CG1 ILE A 150      20.472 -17.088   3.243  1.00  9.95           C  \\nATOM   1245  CG2 ILE A 150      18.662 -17.599   4.911  1.00  7.97           C  \\nATOM   1246  CD1 ILE A 150      21.574 -16.163   4.027  1.00 11.27           C  \\nATOM   1247  N   THR A 151      15.922 -16.493   2.904  1.00 11.17           N  \\nATOM   1248  CA  THR A 151      14.541 -16.602   3.335  1.00 12.11           C  \\nATOM   1249  C   THR A 151      13.775 -17.631   2.473  1.00 12.25           C  \\nATOM   1250  O   THR A 151      12.927 -18.371   3.012  1.00 12.54           O  \\nATOM   1251  CB  THR A 151      13.820 -15.220   3.345  1.00 10.72           C  \\nATOM   1252  OG1 THR A 151      14.267 -14.471   4.478  1.00 13.62           O  \\nATOM   1253  CG2 THR A 151      12.318 -15.372   3.444  1.00 12.40           C  \\nATOM   1254  N   THR A 152      14.103 -17.685   1.177  1.00 11.02           N  \\nATOM   1255  CA  THR A 152      13.506 -18.620   0.217  1.00 11.59           C  \\nATOM   1256  C   THR A 152      13.851 -20.065   0.626  1.00 11.09           C  \\nATOM   1257  O   THR A 152      12.947 -20.915   0.681  1.00 11.15           O  \\nATOM   1258  CB  THR A 152      13.853 -18.286  -1.255  1.00  9.65           C  \\nATOM   1259  OG1 THR A 152      13.605 -16.884  -1.448  1.00 14.45           O  \\nATOM   1260  CG2 THR A 152      12.966 -19.074  -2.258  1.00 12.97           C  \\nATOM   1261  N   PHE A 153      15.141 -20.340   0.843  1.00 11.82           N  \\nATOM   1262  CA  PHE A 153      15.577 -21.606   1.457  1.00 11.41           C  \\nATOM   1263  C   PHE A 153      14.940 -21.933   2.811  1.00 12.38           C  \\nATOM   1264  O   PHE A 153      14.699 -23.136   3.120  1.00 15.74           O  \\nATOM   1265  CB  PHE A 153      17.093 -21.612   1.686  1.00  9.49           C  \\nATOM   1266  CG  PHE A 153      17.896 -21.945   0.481  1.00 10.80           C  \\nATOM   1267  CD1 PHE A 153      18.895 -21.077   0.047  1.00 10.33           C  \\nATOM   1268  CD2 PHE A 153      17.724 -23.180  -0.204  1.00 12.15           C  \\nATOM   1269  CE1 PHE A 153      19.701 -21.401  -1.129  1.00 12.42           C  \\nATOM   1270  CE2 PHE A 153      18.488 -23.533  -1.280  1.00 10.32           C  \\nATOM   1271  CZ  PHE A 153      19.528 -22.634  -1.772  1.00 11.42           C  \\nATOM   1272  N   ARG A 154      14.761 -20.930   3.673  1.00 12.17           N  \\nATOM   1273  CA AARG A 154      14.271 -21.230   5.013  0.50 12.64           C  \\nATOM   1274  CA BARG A 154      14.265 -21.155   5.019  0.50 12.11           C  \\nATOM   1275  C   ARG A 154      12.793 -21.588   4.990  1.00 11.62           C  \\nATOM   1276  O   ARG A 154      12.371 -22.461   5.725  1.00 11.54           O  \\nATOM   1277  CB AARG A 154      14.542 -20.110   6.040  0.50 12.03           C  \\nATOM   1278  CB BARG A 154      14.448 -19.882   5.864  0.50 11.14           C  \\nATOM   1279  CG AARG A 154      14.117 -20.513   7.498  0.50 12.79           C  \\nATOM   1280  CG BARG A 154      14.519 -20.121   7.388  0.50 12.64           C  \\nATOM   1281  CD AARG A 154      14.231 -19.378   8.534  0.50 13.25           C  \\nATOM   1282  CD BARG A 154      14.774 -18.832   8.189  0.50 10.89           C  \\nATOM   1283  NE AARG A 154      13.509 -18.163   8.171  0.50 14.10           N  \\nATOM   1284  NE BARG A 154      13.826 -17.758   7.886  0.50 13.71           N  \\nATOM   1285  CZ AARG A 154      12.194 -17.951   8.305  0.50 14.90           C  \\nATOM   1286  CZ BARG A 154      14.100 -16.680   7.145  0.50 13.45           C  \\nATOM   1287  NH1AARG A 154      11.388 -18.878   8.810  0.50 15.25           N  \\nATOM   1288  NH1BARG A 154      15.317 -16.513   6.641  0.50 14.29           N  \\nATOM   1289  NH2AARG A 154      11.679 -16.787   7.913  0.50 13.29           N  \\nATOM   1290  NH2BARG A 154      13.152 -15.754   6.927  0.50 14.08           N  \\nATOM   1291  N   THR A 155      12.024 -20.943   4.130  1.00 13.12           N  \\nATOM   1292  CA  THR A 155      10.549 -21.026   4.177  1.00 13.94           C  \\nATOM   1293  C   THR A 155       9.908 -21.788   3.051  1.00 14.32           C  \\nATOM   1294  O   THR A 155       8.759 -22.167   3.193  1.00 14.45           O  \\nATOM   1295  CB  THR A 155       9.926 -19.631   4.155  1.00 13.49           C  \\nATOM   1296  OG1 THR A 155      10.251 -19.012   2.897  1.00 15.46           O  \\nATOM   1297  CG2 THR A 155      10.442 -18.703   5.338  1.00 13.53           C  \\nATOM   1298  N   GLY A 156      10.633 -21.942   1.928  1.00 13.63           N  \\nATOM   1299  CA  GLY A 156      10.174 -22.488   0.706  1.00 11.64           C  \\nATOM   1300  C   GLY A 156       8.986 -21.701   0.179  1.00 11.69           C  \\nATOM   1301  O   GLY A 156       8.126 -22.272  -0.423  1.00 12.57           O  \\nATOM   1302  N   THR A 157       8.932 -20.389   0.508  1.00 10.85           N  \\nATOM   1303  CA  THR A 157       7.887 -19.474   0.069  1.00 11.02           C  \\nATOM   1304  C   THR A 157       8.547 -18.365  -0.713  1.00 10.31           C  \\nATOM   1305  O   THR A 157       9.768 -18.252  -0.731  1.00 10.58           O  \\nATOM   1306  CB  THR A 157       7.146 -18.727   1.212  1.00 11.05           C  \\nATOM   1307  OG1 THR A 157       8.033 -17.802   1.905  1.00 15.11           O  \\nATOM   1308  CG2 THR A 157       6.431 -19.683   2.169  1.00 11.04           C  \\nATOM   1309  N   TRP A 158       7.732 -17.524  -1.327  1.00 10.88           N  \\nATOM   1310  CA  TRP A 158       8.245 -16.440  -2.129  1.00 11.92           C  \\nATOM   1311  C   TRP A 158       8.123 -15.117  -1.329  1.00 11.55           C  \\nATOM   1312  O   TRP A 158       8.063 -14.022  -1.898  1.00 13.28           O  \\nATOM   1313  CB  TRP A 158       7.465 -16.359  -3.418  1.00 11.93           C  \\nATOM   1314  CG  TRP A 158       7.822 -17.470  -4.450  1.00 12.74           C  \\nATOM   1315  CD1 TRP A 158       6.994 -18.416  -4.898  1.00 13.77           C  \\nATOM   1316  CD2 TRP A 158       9.073 -17.655  -5.122  1.00 15.01           C  \\nATOM   1317  NE1 TRP A 158       7.622 -19.198  -5.820  1.00 14.08           N  \\nATOM   1318  CE2 TRP A 158       8.911 -18.751  -5.989  1.00 11.00           C  \\nATOM   1319  CE3 TRP A 158      10.330 -16.968  -5.102  1.00  8.15           C  \\nATOM   1320  CZ2 TRP A 158       9.950 -19.223  -6.823  1.00  9.81           C  \\nATOM   1321  CZ3 TRP A 158      11.341 -17.430  -5.941  1.00 10.77           C  \\nATOM   1322  CH2 TRP A 158      11.147 -18.560  -6.783  1.00 12.63           C  \\nATOM   1323  N   ASP A 159       8.038 -15.239  -0.012  1.00 11.99           N  \\nATOM   1324  CA  ASP A 159       7.758 -14.091   0.811  1.00 13.38           C  \\nATOM   1325  C   ASP A 159       8.791 -12.976   0.590  1.00 13.72           C  \\nATOM   1326  O   ASP A 159       8.420 -11.809   0.534  1.00 12.07           O  \\nATOM   1327  CB  ASP A 159       7.776 -14.531   2.270  1.00 14.76           C  \\nATOM   1328  CG  ASP A 159       6.512 -15.215   2.649  1.00 17.82           C  \\nATOM   1329  OD1 ASP A 159       5.653 -15.352   1.752  1.00 17.18           O  \\nATOM   1330  OD2 ASP A 159       6.407 -15.595   3.819  1.00 25.15           O  \\nATOM   1331  N   ALA A 160      10.058 -13.327   0.343  1.00 11.99           N  \\nATOM   1332  CA  ALA A 160      11.091 -12.278   0.261  1.00 11.80           C  \\nATOM   1333  C   ALA A 160      11.050 -11.555  -1.056  1.00 12.16           C  \\nATOM   1334  O   ALA A 160      11.750 -10.588  -1.236  1.00 11.65           O  \\nATOM   1335  CB  ALA A 160      12.506 -12.910   0.484  1.00 10.51           C  \\nATOM   1336  N   TYR A 161      10.216 -12.014  -2.004  1.00 14.08           N  \\nATOM   1337  CA  TYR A 161      10.175 -11.432  -3.346  1.00 14.80           C  \\nATOM   1338  C   TYR A 161       8.774 -10.867  -3.685  1.00 18.27           C  \\nATOM   1339  O   TYR A 161       8.596 -10.195  -4.714  1.00 18.91           O  \\nATOM   1340  CB  TYR A 161      10.570 -12.489  -4.414  1.00 14.76           C  \\nATOM   1341  CG  TYR A 161      12.018 -12.852  -4.385  1.00 12.49           C  \\nATOM   1342  CD1 TYR A 161      12.490 -13.904  -3.579  1.00 11.83           C  \\nATOM   1343  CD2 TYR A 161      12.928 -12.124  -5.112  1.00 10.82           C  \\nATOM   1344  CE1 TYR A 161      13.846 -14.213  -3.515  1.00 10.92           C  \\nATOM   1345  CE2 TYR A 161      14.310 -12.395  -5.068  1.00  8.48           C  \\nATOM   1346  CZ  TYR A 161      14.754 -13.457  -4.262  1.00 12.20           C  \\nATOM   1347  OH  TYR A 161      16.096 -13.759  -4.188  1.00 12.18           O  \\nATOM   1348  N   LYS A 162       7.786 -11.082  -2.826  0.50 18.90           N  \\nATOM   1349  CA  LYS A 162       6.443 -11.100  -3.371  0.50 19.75           C  \\nATOM   1350  C   LYS A 162       5.807  -9.773  -3.856  0.50 20.49           C  \\nATOM   1351  O   LYS A 162       5.003  -9.833  -4.775  0.50 20.39           O  \\nATOM   1352  CB  LYS A 162       5.494 -12.080  -2.646  0.50 19.69           C  \\nATOM   1353  CG  LYS A 162       5.382 -11.924  -1.136  0.50 20.78           C  \\nATOM   1354  CD  LYS A 162       4.505 -13.051  -0.566  0.50 19.81           C  \\nATOM   1355  CE  LYS A 162       3.705 -12.529   0.595  0.50 18.08           C  \\nATOM   1356  NZ  LYS A 162       2.689 -13.534   1.027  0.50 21.58           N  \\nATOM   1357  N   ASN A 163       6.166  -8.586  -3.355  0.50 21.64           N  \\nATOM   1358  CA  ASN A 163       6.996  -8.322  -2.203  0.50 23.15           C  \\nATOM   1359  C   ASN A 163       6.211  -7.397  -1.262  0.50 24.32           C  \\nATOM   1360  O   ASN A 163       6.241  -6.164  -1.395  0.50 24.66           O  \\nATOM   1361  CB  ASN A 163       8.345  -7.659  -2.590  0.50 24.09           C  \\nATOM   1362  CG  ASN A 163       8.264  -6.773  -3.876  0.50 24.52           C  \\nATOM   1363  OD1 ASN A 163       7.180  -6.439  -4.355  0.50 26.98           O  \\nATOM   1364  ND2 ASN A 163       9.430  -6.410  -4.423  0.50 24.01           N  \\nTER    1365      ASN A 163                                                       \\nEND\",\"pdb\");\n",
       "\tviewer_17198354856890318.setStyle({\"model\": 0},{\"cartoon\": {\"color\": \"white\", \"opacity\": 0.5, \"singleBonds\": false}});\n",
       "\tviewer_17198354856890318.addModel(\"HETATM    1  C4  JZ4 A 167      24.294 -24.124  -0.071  1.00 16.39           C  \\nHETATM    2  C7  JZ4 A 167      21.553 -27.214  -4.112  1.00 16.92           C  \\nHETATM    3  C8  JZ4 A 167      22.068 -26.747  -5.331  1.00 14.84           C  \\nHETATM    4  C9  JZ4 A 167      22.671 -25.512  -5.448  1.00 15.93           C  \\nHETATM    5  C10 JZ4 A 167      22.769 -24.730  -4.295  1.00 15.43           C  \\nHETATM    6  C11 JZ4 A 167      21.693 -26.459  -2.954  1.00 16.72           C  \\nHETATM    7  C12 JZ4 A 167      22.294 -25.187  -3.075  1.00 14.13           C  \\nHETATM    8  C13 JZ4 A 167      22.463 -24.414  -1.808  1.00 15.94           C  \\nHETATM    9  C14 JZ4 A 167      23.925 -24.704  -1.394  1.00 15.28           C  \\nHETATM   10  OAB JZ4 A 167      23.412 -23.536  -4.342  1.00 13.88           O  \\nCONECT    1    9\\nCONECT    2    3    3    6\\nCONECT    3    2    2    4\\nCONECT    4    3    5    5\\nCONECT    5    4    4    7   10\\nCONECT    6    2    7    7\\nCONECT    7    5    6    6    8\\nCONECT    8    7    9\\nCONECT    9    1    8\\nCONECT   10    5\\nEND\\n\");\n",
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   "source": [
    "# @title **Visualise 3D docking pose**\n",
    "# @markdown **PROTEIN MODEL** \\\n",
    "# @markdown Enter the **< Protein >** to be viewed.\n",
    "\n",
    "#View_protein = '3HTB_prot_A' # @param {type: 'string'}\n",
    "View_protein = PDB_ID + '_prot_A'\n",
    "Protein_type = 'cartoon' # @param ['cartoon', 'cross', 'line', 'sphere', 'stick']\n",
    "Protein_style = 'white' # @param ['chain', 'white', 'whiteCarbon', 'ssJmol', 'ssPyMol', 'b factor', 'hydrophobicity', 'isoelectric points']\n",
    "Protein_opacity = 0.5 # @param {type: 'slider', min:0, max:1, step:0.1}\n",
    "Residue_number = '' # @param {type: 'string'}\n",
    "Surface_type = 'SES' # @param ['VDW', 'SAS', 'SES', 'MS']\n",
    "Surface_style = 'isoelectric points' # @param ['chain', 'white', 'whiteCarbon', 'ssJmol', 'ssPyMol', 'b factor', 'hydrophobicity', 'isoelectric points']\n",
    "Surface_opacity = 0.7 # @param {type: 'slider', min:0, max:1, step:0.1}\n",
    "Show_protein = True # @param {type: 'boolean'}\n",
    "Show_residue = False # @param {type: 'boolean'}\n",
    "Show_surface = False # @param {type: 'boolean'}\n",
    "Show_gridbox = False # @param {type: 'boolean'}\n",
    "\n",
    "# @markdown **LIGAND MODEL** \\\n",
    "# @markdown Enter the **< Ligand >** to be viewed.\n",
    "\n",
    "#View_native_ligand = 'JZ4_A' # @param {type: 'string'}\n",
    "View_native_ligand = Native_lig + '_A'\n",
    "Native_ligand_style = 'stick' # @param ['cross', 'line', 'sphere', 'stick']\n",
    "Show_native_ligand = False # @param {type: 'boolean'}\n",
    "#View_docked_ligand = 'small_1' # @param {type: 'string'}\n",
    "View_docked_ligand = ID + '_1'\n",
    "Docked_ligand_style = 'stick' # @param ['cross', 'line', 'sphere', 'stick']\n",
    "Show_docked_ligand = True # @param {type: 'boolean'}\n",
    "\n",
    "# @markdown **INTERACTION MODEL** \\\n",
    "# @markdown Enter the **< Interaction Type >** to be viewed. \\\n",
    "# @markdown Select or combine from **`HYDROPHOBIC`**, **`HBOND`**, **`WATERBRIDGE`**,\n",
    "# @markdown **`SALTBRIDGE`**, **`PISTACKING`**, **`PICATION`**, **`HALOGEN`**, **`METAL`**. \\\n",
    "# @markdown *Note: All interactions are selected if not provided.*\n",
    "\n",
    "Interaction_type = \"HBOND, WATERBRIDGE, SALTBRIDGE, PISTACKING, PICATION, HALOGEN, METAL\" # @param {type: 'string'}\n",
    "Show_interaction = True # @param {type: 'boolean'}\n",
    "\n",
    "# @markdown **OTHER OPTIONS** \\\n",
    "# @markdown Miscellaneous visualisation settings.\n",
    "\n",
    "Slab_view = False # @param {type: 'boolean'}\n",
    "\n",
    "dLIG_dFLD = os.path.join(DCK_FLD, View_docked_ligand[:-2])\n",
    "iLIG_iFLD = os.path.join(INT_FLD, View_docked_ligand[:-2])\n",
    "PROT_view_dFile = os.path.join(DCK_FLD, View_protein + '.pdb')\n",
    "NTV_view_dFile = os.path.join(DCK_FLD, View_native_ligand + '.pdb')\n",
    "LIG_view_dFFile = os.path.join(dLIG_dFLD, View_docked_ligand + '.pdb')\n",
    "INT_view_iFFile = os.path.join(iLIG_iFLD, View_docked_ligand + '_interpt.csv')\n",
    "cfg_center, cfg_bxsize = extract_config(cfg_dFile)\n",
    "\n",
    "LBSP = LaboSpace(960, 640)\n",
    "LBSP.load_receptor(PROT_view_dFile)\\\n",
    "    .set_style(\n",
    "        show_represent=Show_protein,\n",
    "        represent_type=Protein_type,\n",
    "        represent_style=builtin_style(\n",
    "            style=Protein_style,\n",
    "            opacity=Protein_opacity))\\\n",
    "    .add_residues(\n",
    "        show_residues=Show_residue,\n",
    "        residue_number=Residue_number)\\\n",
    "    .add_surface(\n",
    "        show_surface=Show_surface,\n",
    "        surface_type=Surface_type,\n",
    "        surface_style=builtin_style(\n",
    "            style=Surface_style,\n",
    "            opacity=Surface_opacity))\n",
    "\n",
    "try:\n",
    "    LBSP.load_ligand(NTV_view_dFile)\\\n",
    "        .set_style(\n",
    "            show_represent=Show_native_ligand,\n",
    "            represent_type=Native_ligand_style,\n",
    "            represent_style={'color': 'grey'})\n",
    "except:\n",
    "    pass\n",
    "\n",
    "LBSP.load_ligand(LIG_view_dFFile)\\\n",
    "    .set_style(\n",
    "        show_represent=Show_docked_ligand,\n",
    "        represent_type=Docked_ligand_style,\n",
    "        represent_style={'colorscheme': 'salmonCarbon'})\n",
    "LBSP.add_interaction(\n",
    "    interaction_file=INT_view_iFFile,\n",
    "    show_interaction=Show_interaction,\n",
    "    select_interaction=Interaction_type)\n",
    "LBSP.add_gridbox(\n",
    "    show_gridbox=Show_gridbox,\n",
    "    center=cfg_center,\n",
    "    bxsize=cfg_bxsize)\n",
    "LBSP.view_space(\n",
    "    slab_view=Slab_view)\n",
    "\n",
    "show_cscale({Show_protein: Protein_style}, {Show_surface: Surface_style})"
   ]
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   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Towards 3D interaction images\n",
    "\n",
    "The following section will help you obtain a publication-quality 3D protein-ligand interaction image.\n",
    "- A Pymol pre_pymol.pse file will be generated \n",
    "- The pse file shows the residues within 5 angstroms of ligand\n",
    "- You are supposed to download the pse to finish the drawing of the interaction lines like H bond dash lines and hydrophobic interaction lines since these lines are pretty challenging to process programmatically due to it varying too much from protein to protein"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "#@title 2. 👋 Write pymol script\n",
    "com_file = open('image.pml','w')\n",
    "com_file.write('''\n",
    "load output.pdb, tmp\n",
    "load Docked1.pdb, docked\n",
    "#select the surrounding then set it to an object \n",
    "# find 5 angstroms around ligand\n",
    "select resn UNL\n",
    "select res, byres sele around 5\n",
    "#set the ligand to an lig object\n",
    "select lig, resn UNL\n",
    "# Select all to hide\n",
    "select all\n",
    "# hide everythong\n",
    "hide\n",
    "# show the ligand and surroundings\n",
    "show sticks, lig|res\n",
    "# hide the H atom on the sticks\n",
    "hide sticks, h.\n",
    "# zoon on lig and res, background faded\n",
    "zoom lig|res\n",
    "# Color ligand carbon atom yellow\n",
    "color yellow, lig&name C*\n",
    "# Color ligand carbon atom yellow\n",
    "color cyan, res&name C*\n",
    "# Set label and font size\n",
    "# note you still have to click \"residues\" form L dropdown menue to show the label\n",
    "set label_size, 28\n",
    "set label_font_id, 8\n",
    "set label_color, grey\n",
    "# We also define some hydrophobic interaction style\n",
    "set sphere_scale, 0.35\n",
    "set sphere_transparency, 0.3\n",
    "set sphere_color, cyan\n",
    "# Define some hydrogen bond. interaciton style\n",
    "set dash_length, 0.3\n",
    "set dash_radius, 0.08\n",
    "set dash_gap, 0.3\n",
    "# set backgroud white\n",
    "bg_color white\n",
    "show cartoon\n",
    "set cartoon_transparency, 0.3\n",
    "bg_color white\n",
    "set ray_trace_mode, 1\n",
    "png binding_pocket.png\n",
    "save pre_pymol.pse\n",
    "''')\n",
    "com_file.close()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "Demonstrate pi-cation interaction#\n",
    "Create pseudoatoms\n",
    "\n",
    "Switch the selecting mode to 'Atoms', click the atoms of the rings which need to generate a center one by one, the selected object is sele\n",
    "Run pseudoatom $NameOftheCenter, sele in command line.\n",
    "Meausure the distance: wizard->measurement\n",
    "\n",
    "Hide the pseudoatoms: hide->everything"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# References:\n",
    "\n",
    "- AutoDock Vina 1.2.5 (https://vina.scripps.edu/)\n",
    "- Meeko 0.5.0 (https://github.com/forlilab/Meeko)\n",
    "- OpenBabel 3.1.1 (https://github.com/openbabel/openbabel)\n",
    "- PLIP 2.3.0 (https://plip-tool.biotec.tu-dresden.de/plip-web/plip/index)\n",
    "- Py3Dmol 2.0.3 (https://pypi.org/project/py3Dmol/)\n",
    "- Rdkit 2023.9.1 (https://github.com/rdkit/rdkit)\n",
    "- Spyrmsd 0.6.0 (https://github.com/RMeli/spyrmsd)\n",
    "\n",
    "- This browser docking experience wouldn't be possible without using Binder (https://mybinder.org/)"
   ]
  }
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