Docking_qvina_w_MD_DENV_NS2BNS3.ipynb

{
  "cells": [
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "view-in-github",
        "colab_type": "text"
      },
      "source": [
        "<a href=\"https://colab.research.google.com/github/c00jsw00/Abs/blob/master/Docking_qvina_w_MD_DENV_NS2BNS3.ipynb\" target=\"_parent\"><img src=\"https://colab.research.google.com/assets/colab-badge.svg\" alt=\"Open In Colab\"/></a>"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "sMITd6s6hEGp"
      },
      "source": [
        "## Blind docking with qvina-w and cMD simulations by Yeng-Tseng wang (c00jsw00@gmail.com)\n",
        "This Google Colab notebook "
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "8eY4fchy-kh5"
      },
      "source": [
        "## Step 1. Install OpenBabel, RDKit, openMM, ambertools and Py3Dmol tools --by wang YT"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 1,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "y2IaxgQ5hAZx",
        "outputId": "8ba62600-5e37-432d-f86f-d0e7b02b4534"
      },
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "⏬ Downloading https://github.com/jaimergp/miniforge/releases/latest/download/Mambaforge-colab-Linux-x86_64.sh...\n",
            "📦 Installing...\n",
            "📌 Adjusting configuration...\n",
            "🩹 Patching environment...\n",
            "⏲ Done in 0:00:16\n",
            "🔁 Restarting kernel...\n",
            "\n",
            "                  __    __    __    __\n",
            "                 /  \\  /  \\  /  \\  /  \\\n",
            "                /    \\/    \\/    \\/    \\\n",
            "███████████████/  /██/  /██/  /██/  /████████████████████████\n",
            "              /  / \\   / \\   / \\   / \\  \\____\n",
            "             /  /   \\_/   \\_/   \\_/   \\    o \\__,\n",
            "            / _/                       \\_____/  `\n",
            "            |/\n",
            "        ███╗   ███╗ █████╗ ███╗   ███╗██████╗  █████╗\n",
            "        ████╗ ████║██╔══██╗████╗ ████║██╔══██╗██╔══██╗\n",
            "        ██╔████╔██║███████║██╔████╔██║██████╔╝███████║\n",
            "        ██║╚██╔╝██║██╔══██║██║╚██╔╝██║██╔══██╗██╔══██║\n",
            "        ██║ ╚═╝ ██║██║  ██║██║ ╚═╝ ██║██████╔╝██║  ██║\n",
            "        ╚═╝     ╚═╝╚═╝  ╚═╝╚═╝     ╚═╝╚═════╝ ╚═╝  ╚═╝\n",
            "\n",
            "        mamba (1.1.0) supported by @QuantStack\n",
            "\n",
            "        GitHub:  https://github.com/mamba-org/mamba\n",
            "        Twitter: https://twitter.com/QuantStack\n",
            "\n",
            "█████████████████████████████████████████████████████████████\n",
            "\n",
            "\n",
            "Looking for: ['openmm']\n",
            "\n",
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            "conda-forge/linux-64 100%\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.4s\n",
            "conda-forge/linux-64 100%\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.5s\n",
            "conda-forge/linux-64 100%\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.6s\n",
            "conda-forge/linux-64 100%\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.7s\n",
            "conda-forge/linux-64 100%\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.8s\n",
            "conda-forge/linux-64 100%\u001b[2K\u001b[1A\u001b[2K\u001b[0Gconda-forge/linux-64                              \n",
            "\u001b[?25h\n",
            "Pinned packages:\n",
            "  - python 3.9.*\n",
            "  - python 3.9.*\n",
            "  - python_abi 3.9.* *cp39*\n",
            "  - cudatoolkit 11.8.*\n",
            "\n",
            "\n",
            "Transaction\n",
            "\n",
            "  Prefix: /usr/local\n",
            "\n",
            "  Updating specs:\n",
            "\n",
            "   - openmm\n",
            "   - ca-certificates\n",
            "   - certifi\n",
            "   - openssl\n",
            "\n",
            "\n",
            "  Package           Version  Build                Channel                   Size\n",
            "──────────────────────────────────────────────────────────────────────────────────\n",
            "  Install:\n",
            "──────────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "  \u001b[32m+ cudatoolkit   \u001b[0m   11.8.0  h37601d7_11          conda-forge/linux-64     667MB\n",
            "  \u001b[32m+ libblas       \u001b[0m    3.9.0  16_linux64_openblas  conda-forge/linux-64      13kB\n",
            "  \u001b[32m+ libcblas      \u001b[0m    3.9.0  16_linux64_openblas  conda-forge/linux-64      13kB\n",
            "  \u001b[32m+ libgfortran-ng\u001b[0m   12.2.0  h69a702a_19          conda-forge/linux-64      23kB\n",
            "  \u001b[32m+ libgfortran5  \u001b[0m   12.2.0  h337968e_19          conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ liblapack     \u001b[0m    3.9.0  16_linux64_openblas  conda-forge/linux-64      13kB\n",
            "  \u001b[32m+ libopenblas   \u001b[0m   0.3.21  pthreads_h78a6416_3  conda-forge/linux-64      11MB\n",
            "  \u001b[32m+ numpy         \u001b[0m   1.24.3  py39h6183b62_0       conda-forge/linux-64       7MB\n",
            "  \u001b[32m+ ocl-icd       \u001b[0m    2.3.1  h7f98852_0           conda-forge/linux-64     121kB\n",
            "  \u001b[32m+ ocl-icd-system\u001b[0m    1.0.0  1                    conda-forge/linux-64       4kB\n",
            "  \u001b[32m+ openmm        \u001b[0m    8.0.0  py39hc5dd2c2_0       conda-forge/linux-64      11MB\n",
            "\n",
            "  Upgrade:\n",
            "──────────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "  \u001b[31m- openssl       \u001b[0m    3.0.8  h0b41bf4_0           conda-forge                   \n",
            "  \u001b[32m+ openssl       \u001b[0m    3.1.0  hd590300_1           conda-forge/linux-64       3MB\n",
            "\n",
            "  Summary:\n",
            "\n",
            "  Install: 11 packages\n",
            "  Upgrade: 1 packages\n",
            "\n",
            "  Total download: 700MB\n",
            "\n",
            "──────────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "\n",
            "\u001b[?25l\u001b[2K\u001b[0G[+] 0.0s\n",
            "Downloading  (5)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.1s\n",
            "Downloading  (5)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gocl-icd-system                                       4.3kB @  37.2kB/s  0.1s\n",
            "ocl-icd                                            121.5kB @ 744.9kB/s  0.2s\n",
            "[+] 0.2s\n",
            "Downloading  (5)   1%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gopenssl                                              2.6MB @  10.5MB/s  0.3s\n",
            "libgfortran5                                         1.8MB @   6.6MB/s  0.3s\n",
            "[+] 0.3s\n",
            "Downloading  (5)   2%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gliblapack                                           12.8kB @  36.4kB/s  0.1s\n",
            "[+] 0.4s\n",
            "Downloading  (5)   4%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gnumpy                                                6.7MB @  15.6MB/s  0.3s\n",
            "libgfortran-ng                                      22.9kB @  49.3kB/s  0.1s\n",
            "[+] 0.5s\n",
            "Downloading  (5)   5%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Glibblas                                             12.9kB @  25.0kB/s  0.1s\n",
            "libcblas                                            12.8kB @  24.8kB/s  0.1s\n",
            "[+] 0.6s\n",
            "Downloading  (3)   6%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Glibopenblas                                         10.6MB @  17.0MB/s  0.5s\n",
            "[+] 0.7s\n",
            "Downloading  (2)   7%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gopenmm                                              11.1MB @  15.7MB/s  0.4s\n",
            "[+] 0.8s\n",
            "Downloading  (1)   8%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.9s\n",
            "Downloading  (1)   9%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.0s\n",
            "Downloading  (1)  10%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.1s\n",
            "Downloading  (1)  13%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.2s\n",
            "Downloading  (1)  15%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.3s\n",
            "Downloading  (1)  17%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.4s\n",
            "Downloading  (1)  18%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.5s\n",
            "Downloading  (1)  20%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.6s\n",
            "Downloading  (1)  22%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.7s\n",
            "Downloading  (1)  24%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.8s\n",
            "Downloading  (1)  25%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.9s\n",
            "Downloading  (1)  26%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.0s\n",
            "Downloading  (1)  28%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.1s\n",
            "Downloading  (1)  29%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.2s\n",
            "Downloading  (1)  30%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.3s\n",
            "Downloading  (1)  32%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.4s\n",
            "Downloading  (1)  32%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.5s\n",
            "Downloading  (1)  35%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.6s\n",
            "Downloading  (1)  37%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.7s\n",
            "Downloading  (1)  38%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.8s\n",
            "Downloading  (1)  39%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.9s\n",
            "Downloading  (1)  41%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.0s\n",
            "Downloading  (1)  43%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.1s\n",
            "Downloading  (1)  45%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.2s\n",
            "Downloading  (1)  47%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.3s\n",
            "Downloading  (1)  48%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.4s\n",
            "Downloading  (1)  49%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.5s\n",
            "Downloading  (1)  51%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.6s\n",
            "Downloading  (1)  54%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.7s\n",
            "Downloading  (1)  56%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.8s\n",
            "Downloading  (1)  57%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.9s\n",
            "Downloading  (1)  61%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.0s\n",
            "Downloading  (1)  62%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.1s\n",
            "Downloading  (1)  64%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.2s\n",
            "Downloading  (1)  66%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.3s\n",
            "Downloading  (1)  68%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.4s\n",
            "Downloading  (1)  69%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.5s\n",
            "Downloading  (1)  72%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.6s\n",
            "Downloading  (1)  74%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.7s\n",
            "Downloading  (1)  75%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.8s\n",
            "Downloading  (1)  77%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.9s\n",
            "Downloading  (1)  79%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.0s\n",
            "Downloading  (1)  80%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.1s\n",
            "Downloading  (1)  82%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.2s\n",
            "Downloading  (1)  84%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.3s\n",
            "Downloading  (1)  86%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.4s\n",
            "Downloading  (1)  87%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.5s\n",
            "Downloading  (1)  89%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.6s\n",
            "Downloading  (1)  91%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.7s\n",
            "Downloading  (1)  92%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.8s\n",
            "Downloading  (1)  94%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.9s\n",
            "Downloading  (1)  96%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.0s\n",
            "Downloading  (1)  99%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gcudatoolkit                                        666.8MB @ 109.7MB/s  6.1s\n",
            "[+] 6.1s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.2s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.3s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.4s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.5s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.6s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.7s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.8s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.9s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.0s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.1s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.2s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.3s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.4s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.5s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.6s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.7s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.8s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.9s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.0s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.1s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.2s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.3s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.4s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.5s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.6s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.7s\n",
            "Downloading      100%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 21.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 22.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 22.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 22.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 22.3s\n",
            "Downloading      100%\n",
            "Extracting       100%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G\u001b[?25h\n",
            "Downloading and Extracting Packages\n",
            "\n",
            "Preparing transaction: - \b\b\\ \b\bdone\n",
            "Verifying transaction: / \b\b- \b\b\\ \b\b| \b\b/ \b\bdone\n",
            "Executing transaction: \\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| By downloading and using the CUDA Toolkit conda packages, you accept the terms and conditions of the CUDA End User License Agreement (EULA): https://docs.nvidia.com/cuda/eula/index.html\n",
            "\n",
            "\b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\bdone\n",
            "\n",
            "                  __    __    __    __\n",
            "                 /  \\  /  \\  /  \\  /  \\\n",
            "                /    \\/    \\/    \\/    \\\n",
            "███████████████/  /██/  /██/  /██/  /████████████████████████\n",
            "              /  / \\   / \\   / \\   / \\  \\____\n",
            "             /  /   \\_/   \\_/   \\_/   \\    o \\__,\n",
            "            / _/                       \\_____/  `\n",
            "            |/\n",
            "        ███╗   ███╗ █████╗ ███╗   ███╗██████╗  █████╗\n",
            "        ████╗ ████║██╔══██╗████╗ ████║██╔══██╗██╔══██╗\n",
            "        ██╔████╔██║███████║██╔████╔██║██████╔╝███████║\n",
            "        ██║╚██╔╝██║██╔══██║██║╚██╔╝██║██╔══██╗██╔══██║\n",
            "        ██║ ╚═╝ ██║██║  ██║██║ ╚═╝ ██║██████╔╝██║  ██║\n",
            "        ╚═╝     ╚═╝╚═╝  ╚═╝╚═╝     ╚═╝╚═════╝ ╚═╝  ╚═╝\n",
            "\n",
            "        mamba (1.1.0) supported by @QuantStack\n",
            "\n",
            "        GitHub:  https://github.com/mamba-org/mamba\n",
            "        Twitter: https://twitter.com/QuantStack\n",
            "\n",
            "█████████████████████████████████████████████████████████████\n",
            "\n",
            "\n",
            "Looking for: ['rdkit']\n",
            "\n",
            "conda-forge/linux-64                                        Using cache\n",
            "conda-forge/noarch                                          Using cache\n",
            "\n",
            "Pinned packages:\n",
            "  - python 3.9.*\n",
            "  - python 3.9.*\n",
            "  - python_abi 3.9.* *cp39*\n",
            "  - cudatoolkit 11.8.*\n",
            "\n",
            "\n",
            "Transaction\n",
            "\n",
            "  Prefix: /usr/local\n",
            "\n",
            "  Updating specs:\n",
            "\n",
            "   - rdkit\n",
            "   - ca-certificates\n",
            "   - certifi\n",
            "   - openssl\n",
            "\n",
            "\n",
            "  Package                        Version  Build           Channel                   Size\n",
            "──────────────────────────────────────────────────────────────────────────────────────────\n",
            "  Install:\n",
            "──────────────────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "  \u001b[32m+ boost                    \u001b[0m     1.78.0  py39h7c9e3ff_4  conda-forge/linux-64     373kB\n",
            "  \u001b[32m+ boost-cpp                \u001b[0m     1.78.0  h5adbc97_2      conda-forge/linux-64      16MB\n",
            "  \u001b[32m+ brotli                   \u001b[0m      1.0.9  h166bdaf_8      conda-forge/linux-64      19kB\n",
            "  \u001b[32m+ brotli-bin               \u001b[0m      1.0.9  h166bdaf_8      conda-forge/linux-64      20kB\n",
            "  \u001b[32m+ cairo                    \u001b[0m     1.16.0  ha61ee94_1014   conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ contourpy                \u001b[0m      1.0.7  py39h4b4f3f3_0  conda-forge/linux-64     216kB\n",
            "  \u001b[32m+ cycler                   \u001b[0m     0.11.0  pyhd8ed1ab_0    conda-forge/noarch        10kB\n",
            "  \u001b[32m+ expat                    \u001b[0m      2.5.0  hcb278e6_1      conda-forge/linux-64     137kB\n",
            "  \u001b[32m+ font-ttf-dejavu-sans-mono\u001b[0m       2.37  hab24e00_0      conda-forge/noarch       397kB\n",
            "  \u001b[32m+ font-ttf-inconsolata     \u001b[0m      3.000  h77eed37_0      conda-forge/noarch        97kB\n",
            "  \u001b[32m+ font-ttf-source-code-pro \u001b[0m      2.038  h77eed37_0      conda-forge/noarch       701kB\n",
            "  \u001b[32m+ font-ttf-ubuntu          \u001b[0m       0.83  hab24e00_0      conda-forge/noarch         2MB\n",
            "  \u001b[32m+ fontconfig               \u001b[0m     2.14.2  h14ed4e7_0      conda-forge/linux-64     272kB\n",
            "  \u001b[32m+ fonts-conda-ecosystem    \u001b[0m          1  0               conda-forge/noarch         4kB\n",
            "  \u001b[32m+ fonts-conda-forge        \u001b[0m          1  0               conda-forge/noarch         4kB\n",
            "  \u001b[32m+ fonttools                \u001b[0m     4.39.3  py39h72bdee0_0  conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ freetype                 \u001b[0m     2.12.1  hca18f0e_1      conda-forge/linux-64     626kB\n",
            "  \u001b[32m+ gettext                  \u001b[0m     0.21.1  h27087fc_0      conda-forge/linux-64       4MB\n",
            "  \u001b[32m+ greenlet                 \u001b[0m      2.0.2  py39h227be39_0  conda-forge/linux-64     191kB\n",
            "  \u001b[32m+ importlib-resources      \u001b[0m     5.12.0  pyhd8ed1ab_0    conda-forge/noarch         9kB\n",
            "  \u001b[32m+ importlib_resources      \u001b[0m     5.12.0  pyhd8ed1ab_0    conda-forge/noarch        31kB\n",
            "  \u001b[32m+ kiwisolver               \u001b[0m      1.4.4  py39hf939315_1  conda-forge/linux-64      78kB\n",
            "  \u001b[32m+ lcms2                    \u001b[0m       2.15  haa2dc70_1      conda-forge/linux-64     242kB\n",
            "  \u001b[32m+ lerc                     \u001b[0m      4.0.0  h27087fc_0      conda-forge/linux-64     282kB\n",
            "  \u001b[32m+ libbrotlicommon          \u001b[0m      1.0.9  h166bdaf_8      conda-forge/linux-64      67kB\n",
            "  \u001b[32m+ libbrotlidec             \u001b[0m      1.0.9  h166bdaf_8      conda-forge/linux-64      34kB\n",
            "  \u001b[32m+ libbrotlienc             \u001b[0m      1.0.9  h166bdaf_8      conda-forge/linux-64     295kB\n",
            "  \u001b[32m+ libdeflate               \u001b[0m       1.18  h0b41bf4_0      conda-forge/linux-64      65kB\n",
            "  \u001b[32m+ libexpat                 \u001b[0m      2.5.0  hcb278e6_1      conda-forge/linux-64      78kB\n",
            "  \u001b[32m+ libglib                  \u001b[0m     2.76.2  hebfc3b9_0      conda-forge/linux-64       3MB\n",
            "  \u001b[32m+ libjpeg-turbo            \u001b[0m    2.1.5.1  h0b41bf4_0      conda-forge/linux-64     491kB\n",
            "  \u001b[32m+ libpng                   \u001b[0m     1.6.39  h753d276_0      conda-forge/linux-64     283kB\n",
            "  \u001b[32m+ libtiff                  \u001b[0m      4.5.0  ha587672_6      conda-forge/linux-64     407kB\n",
            "  \u001b[32m+ libwebp-base             \u001b[0m      1.3.0  h0b41bf4_0      conda-forge/linux-64     357kB\n",
            "  \u001b[32m+ libxcb                   \u001b[0m       1.13  h7f98852_1004   conda-forge/linux-64     400kB\n",
            "  \u001b[32m+ matplotlib-base          \u001b[0m      3.7.1  py39he190548_0  conda-forge/linux-64       7MB\n",
            "  \u001b[32m+ munkres                  \u001b[0m      1.1.4  pyh9f0ad1d_0    conda-forge/noarch        12kB\n",
            "  \u001b[32m+ openjpeg                 \u001b[0m      2.5.0  hfec8fc6_2      conda-forge/linux-64     352kB\n",
            "  \u001b[32m+ packaging                \u001b[0m       23.1  pyhd8ed1ab_0    conda-forge/noarch        46kB\n",
            "  \u001b[32m+ pandas                   \u001b[0m      2.0.0  py39h2ad29b5_0  conda-forge/linux-64      12MB\n",
            "  \u001b[32m+ pcre2                    \u001b[0m      10.40  hc3806b6_0      conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ pillow                   \u001b[0m      9.5.0  py39h7207d5c_0  conda-forge/linux-64      46MB\n",
            "  \u001b[32m+ pixman                   \u001b[0m     0.40.0  h36c2ea0_0      conda-forge/linux-64     643kB\n",
            "  \u001b[32m+ pthread-stubs            \u001b[0m        0.4  h36c2ea0_1001   conda-forge/linux-64       6kB\n",
            "  \u001b[32m+ pycairo                  \u001b[0m     1.23.0  py39h23c5bb2_0  conda-forge/linux-64     114kB\n",
            "  \u001b[32m+ pyparsing                \u001b[0m      3.0.9  pyhd8ed1ab_0    conda-forge/noarch        81kB\n",
            "  \u001b[32m+ python-dateutil          \u001b[0m      2.8.2  pyhd8ed1ab_0    conda-forge/noarch       246kB\n",
            "  \u001b[32m+ python-tzdata            \u001b[0m     2023.3  pyhd8ed1ab_0    conda-forge/noarch       143kB\n",
            "  \u001b[32m+ pytz                     \u001b[0m     2023.3  pyhd8ed1ab_0    conda-forge/noarch       187kB\n",
            "  \u001b[32m+ rdkit                    \u001b[0m  2022.09.4  py39hb00a813_1  conda-forge/linux-64      36MB\n",
            "  \u001b[32m+ reportlab                \u001b[0m     3.6.12  py39h8bbe095_2  conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ six                      \u001b[0m     1.16.0  pyh6c4a22f_0    conda-forge/noarch        14kB\n",
            "  \u001b[32m+ sqlalchemy               \u001b[0m     2.0.10  py39hd1e30aa_0  conda-forge/linux-64       3MB\n",
            "  \u001b[32m+ typing-extensions        \u001b[0m      4.5.0  hd8ed1ab_0      conda-forge/noarch        10kB\n",
            "  \u001b[32m+ typing_extensions        \u001b[0m      4.5.0  pyha770c72_0    conda-forge/noarch        31kB\n",
            "  \u001b[32m+ unicodedata2             \u001b[0m     15.0.0  py39hb9d737c_0  conda-forge/linux-64     512kB\n",
            "  \u001b[32m+ xorg-kbproto             \u001b[0m      1.0.7  h7f98852_1002   conda-forge/linux-64      27kB\n",
            "  \u001b[32m+ xorg-libice              \u001b[0m     1.0.10  h7f98852_0      conda-forge/linux-64      59kB\n",
            "  \u001b[32m+ xorg-libsm               \u001b[0m      1.2.3  hd9c2040_1000   conda-forge/linux-64      26kB\n",
            "  \u001b[32m+ xorg-libx11              \u001b[0m      1.8.4  h0b41bf4_0      conda-forge/linux-64     830kB\n",
            "  \u001b[32m+ xorg-libxau              \u001b[0m      1.0.9  h7f98852_0      conda-forge/linux-64      13kB\n",
            "  \u001b[32m+ xorg-libxdmcp            \u001b[0m      1.1.3  h7f98852_0      conda-forge/linux-64      19kB\n",
            "  \u001b[32m+ xorg-libxext             \u001b[0m      1.3.4  h0b41bf4_2      conda-forge/linux-64      50kB\n",
            "  \u001b[32m+ xorg-libxrender          \u001b[0m     0.9.10  h7f98852_1003   conda-forge/linux-64      33kB\n",
            "  \u001b[32m+ xorg-renderproto         \u001b[0m     0.11.1  h7f98852_1002   conda-forge/linux-64      10kB\n",
            "  \u001b[32m+ xorg-xextproto           \u001b[0m      7.3.0  h0b41bf4_1003   conda-forge/linux-64      30kB\n",
            "  \u001b[32m+ xorg-xproto              \u001b[0m     7.0.31  h7f98852_1007   conda-forge/linux-64      75kB\n",
            "  \u001b[32m+ zipp                     \u001b[0m     3.15.0  pyhd8ed1ab_0    conda-forge/noarch        17kB\n",
            "  \u001b[32m+ zlib                     \u001b[0m     1.2.13  h166bdaf_4      conda-forge/linux-64      94kB\n",
            "\n",
            "  Summary:\n",
            "\n",
            "  Install: 69 packages\n",
            "\n",
            "  Total download: 147MB\n",
            "\n",
            "──────────────────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "\n",
            "\u001b[?25l\u001b[2K\u001b[0G[+] 0.0s\n",
            "Downloading        0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.1s\n",
            "Downloading  (5)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gzlib                                                94.1kB @ 685.5kB/s  0.1s\n",
            "libpng                                             282.6kB @   1.8MB/s  0.2s\n",
            "libjpeg-turbo                                      490.5kB @   3.0MB/s  0.2s\n",
            "libwebp-base                                       356.8kB @   2.1MB/s  0.2s\n",
            "pixman                                             642.5kB @   3.5MB/s  0.2s\n",
            "unicodedata2                                       512.1kB @   2.6MB/s  0.1s\n",
            "[+] 0.2s\n",
            "Downloading  (5)   2%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gxorg-libxau                                         13.4kB @  66.7kB/s  0.0s\n",
            "libexpat                                            78.0kB @ 376.1kB/s  0.0s\n",
            "xorg-kbproto                                        27.3kB @ 128.7kB/s  0.0s\n",
            "libtiff                                            407.2kB @   1.6MB/s  0.1s\n",
            "libxcb                                             399.9kB @   1.6MB/s  0.0s\n",
            "lcms2                                              242.1kB @ 959.4kB/s  0.0s\n",
            "libglib                                              2.7MB @   9.4MB/s  0.1s\n",
            "brotli                                              18.9kB @  65.7kB/s  0.0s\n",
            "[+] 0.3s\n",
            "Downloading  (5)  11%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gxorg-libx11                                        829.9kB @   2.6MB/s  0.1s\n",
            "pytz                                               186.5kB @ 587.1kB/s  0.0s\n",
            "cycler                                              10.3kB @  30.3kB/s  0.1s\n",
            "munkres                                             12.5kB @  34.1kB/s  0.0s\n",
            "zipp                                                17.2kB @  47.0kB/s  0.0s\n",
            "boost-cpp                                           15.9MB @  43.1MB/s  0.2s\n",
            "importlib_resources                                 31.0kB @  82.0kB/s  0.0s\n",
            "[+] 0.4s\n",
            "Downloading  (5)  21%\n",
            "Extracting  (21)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gimportlib-resources                                  9.3kB @  23.3kB/s  0.0s\n",
            "fonts-conda-ecosystem                                3.7kB @   9.1kB/s  0.0s\n",
            "cairo                                                1.6MB @   3.7MB/s  0.0s\n",
            "libbrotlicommon                                     67.2kB @ 148.4kB/s  0.1s\n",
            "pthread-stubs                                        5.6kB @  12.0kB/s  0.1s\n",
            "[+] 0.5s\n",
            "Downloading  (6)  30%\n",
            "Extracting  (26)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gxorg-xproto                                         74.9kB @ 151.7kB/s  0.0s\n",
            "gettext                                              4.3MB @   8.3MB/s  0.1s\n",
            "freetype                                           625.7kB @   1.2MB/s  0.1s\n",
            "boost                                              372.9kB @ 700.0kB/s  0.0s\n",
            "matplotlib-base                                      6.8MB @  12.6MB/s  0.2s\n",
            "xorg-libxext                                        50.1kB @  87.8kB/s  0.0s\n",
            "brotli-bin                                          20.1kB @  35.1kB/s  0.1s\n",
            "fontconfig                                         272.0kB @ 474.8kB/s  0.1s\n",
            "[+] 0.6s\n",
            "Downloading  (5)  40%\n",
            "Extracting  (33)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gpython-tzdata                                      143.1kB @ 236.7kB/s  0.0s\n",
            "typing_extensions                                   31.3kB @  51.8kB/s  0.0s\n",
            "fonts-conda-forge                                    4.1kB @   6.5kB/s  0.0s\n",
            "typing-extensions                                    9.7kB @  15.4kB/s  0.0s\n",
            "pycairo                                            113.6kB @ 171.3kB/s  0.1s\n",
            "[+] 0.7s\n",
            "Downloading  (7)  45%\n",
            "Extracting  (39)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Ggreenlet                                           190.6kB @ 275.1kB/s  0.1s\n",
            "xorg-renderproto                                     9.6kB @  13.9kB/s  0.1s\n",
            "xorg-libsm                                          26.4kB @  36.3kB/s  0.1s\n",
            "openjpeg                                           352.0kB @ 483.3kB/s  0.1s\n",
            "expat                                              136.8kB @ 181.8kB/s  0.1s\n",
            "six                                                 14.3kB @  18.4kB/s  0.0s\n",
            "font-ttf-inconsolata                                96.5kB @ 123.1kB/s  0.0s\n",
            "[+] 0.8s\n",
            "Downloading  (5)  54%\n",
            "Extracting  (44)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gcontourpy                                          215.5kB @ 261.3kB/s  0.1s\n",
            "kiwisolver                                          77.5kB @  93.8kB/s  0.1s\n",
            "fonttools                                            2.1MB @   2.5MB/s  0.1s\n",
            "[+] 0.9s\n",
            "Downloading  (7)  63%\n",
            "Extracting  (47)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Glibbrotlienc                                       295.2kB @ 343.7kB/s  0.1s\n",
            "libbrotlidec                                        34.2kB @  39.8kB/s  0.1s\n",
            "packaging                                           46.1kB @  50.3kB/s  0.0s\n",
            "font-ttf-dejavu-sans-mono                          397.4kB @ 429.4kB/s  0.1s\n",
            "font-ttf-ubuntu                                      2.0MB @   2.1MB/s  0.1s\n",
            "xorg-xextproto                                      30.3kB @  31.8kB/s  0.0s\n",
            "pillow                                              46.2MB @  48.4MB/s  0.7s\n",
            "reportlab                                            2.4MB @   2.4MB/s  0.0s\n",
            "xorg-libxrender                                     32.9kB @  33.6kB/s  0.0s\n",
            "[+] 1.0s\n",
            "Downloading  (5)  78%\n",
            "Extracting  (55)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Glerc                                               281.8kB @ 275.7kB/s  0.1s\n",
            "pyparsing                                           81.3kB @  79.1kB/s  0.1s\n",
            "python-dateutil                                    246.0kB @ 238.8kB/s  0.1s\n",
            "sqlalchemy                                           2.5MB @   2.5MB/s  0.1s\n",
            "xorg-libxdmcp                                       19.1kB @  18.1kB/s  0.1s\n",
            "[+] 1.1s\n",
            "Downloading  (5)  88%\n",
            "Extracting  (61)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gfont-ttf-source-code-pro                           700.8kB @ 648.5kB/s  0.1s\n",
            "libdeflate                                          65.2kB @  58.4kB/s  0.1s\n",
            "xorg-libice                                         59.4kB @  53.2kB/s  0.1s\n",
            "rdkit                                               35.7MB @  30.5MB/s  0.6s\n",
            "pcre2                                                2.4MB @   2.0MB/s  0.1s\n",
            "[+] 1.2s\n",
            "Downloading  (1)  95%\n",
            "Extracting  (65)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gpandas                                              12.2MB @   9.9MB/s  0.2s\n",
            "[+] 1.3s\n",
            "Downloading      100%\n",
            "Extracting  (66)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.4s\n",
            "Downloading      100%\n",
            "Extracting  (66)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.5s\n",
            "Downloading      100%\n",
            "Extracting  (66)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.6s\n",
            "Downloading      100%\n",
            "Extracting  (66)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.7s\n",
            "Downloading      100%\n",
            "Extracting  (65)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.8s\n",
            "Downloading      100%\n",
            "Extracting  (64)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.9s\n",
            "Downloading      100%\n",
            "Extracting  (64)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.0s\n",
            "Downloading      100%\n",
            "Extracting  (63)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.1s\n",
            "Downloading      100%\n",
            "Extracting  (62)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.2s\n",
            "Downloading      100%\n",
            "Extracting  (62)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.3s\n",
            "Downloading      100%\n",
            "Extracting  (62)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.4s\n",
            "Downloading      100%\n",
            "Extracting  (62)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.5s\n",
            "Downloading      100%\n",
            "Extracting  (61)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.6s\n",
            "Downloading      100%\n",
            "Extracting  (60)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.7s\n",
            "Downloading      100%\n",
            "Extracting  (60)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.8s\n",
            "Downloading      100%\n",
            "Extracting  (60)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.9s\n",
            "Downloading      100%\n",
            "Extracting  (58)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.0s\n",
            "Downloading      100%\n",
            "Extracting  (58)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.1s\n",
            "Downloading      100%\n",
            "Extracting  (58)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.2s\n",
            "Downloading      100%\n",
            "Extracting  (58)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.3s\n",
            "Downloading      100%\n",
            "Extracting  (57)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.4s\n",
            "Downloading      100%\n",
            "Extracting  (57)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.5s\n",
            "Downloading      100%\n",
            "Extracting  (57)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.6s\n",
            "Downloading      100%\n",
            "Extracting  (57)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.7s\n",
            "Downloading      100%\n",
            "Extracting  (56)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.8s\n",
            "Downloading      100%\n",
            "Extracting  (56)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.9s\n",
            "Downloading      100%\n",
            "Extracting  (55)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.0s\n",
            "Downloading      100%\n",
            "Extracting  (55)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.1s\n",
            "Downloading      100%\n",
            "Extracting  (55)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.2s\n",
            "Downloading      100%\n",
            "Extracting  (54)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.3s\n",
            "Downloading      100%\n",
            "Extracting  (54)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.4s\n",
            "Downloading      100%\n",
            "Extracting  (54)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.5s\n",
            "Downloading      100%\n",
            "Extracting  (53)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.6s\n",
            "Downloading      100%\n",
            "Extracting  (53)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.7s\n",
            "Downloading      100%\n",
            "Extracting  (53)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.8s\n",
            "Downloading      100%\n",
            "Extracting  (52)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.9s\n",
            "Downloading      100%\n",
            "Extracting  (52)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.0s\n",
            "Downloading      100%\n",
            "Extracting  (52)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.1s\n",
            "Downloading      100%\n",
            "Extracting  (51)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.2s\n",
            "Downloading      100%\n",
            "Extracting  (50)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.3s\n",
            "Downloading      100%\n",
            "Extracting  (50)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.4s\n",
            "Downloading      100%\n",
            "Extracting  (49)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.5s\n",
            "Downloading      100%\n",
            "Extracting  (48)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.6s\n",
            "Downloading      100%\n",
            "Extracting  (48)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.7s\n",
            "Downloading      100%\n",
            "Extracting  (48)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.8s\n",
            "Downloading      100%\n",
            "Extracting  (47)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.9s\n",
            "Downloading      100%\n",
            "Extracting  (46)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.0s\n",
            "Downloading      100%\n",
            "Extracting  (46)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.1s\n",
            "Downloading      100%\n",
            "Extracting  (46)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.2s\n",
            "Downloading      100%\n",
            "Extracting  (45)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.3s\n",
            "Downloading      100%\n",
            "Extracting  (45)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.4s\n",
            "Downloading      100%\n",
            "Extracting  (45)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.5s\n",
            "Downloading      100%\n",
            "Extracting  (44)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.6s\n",
            "Downloading      100%\n",
            "Extracting  (43)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.7s\n",
            "Downloading      100%\n",
            "Extracting  (43)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.8s\n",
            "Downloading      100%\n",
            "Extracting  (42)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.9s\n",
            "Downloading      100%\n",
            "Extracting  (41)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.0s\n",
            "Downloading      100%\n",
            "Extracting  (41)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.1s\n",
            "Downloading      100%\n",
            "Extracting  (41)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.2s\n",
            "Downloading      100%\n",
            "Extracting  (40)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.3s\n",
            "Downloading      100%\n",
            "Extracting  (40)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.4s\n",
            "Downloading      100%\n",
            "Extracting  (39)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.5s\n",
            "Downloading      100%\n",
            "Extracting  (38)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.6s\n",
            "Downloading      100%\n",
            "Extracting  (38)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.7s\n",
            "Downloading      100%\n",
            "Extracting  (38)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.8s\n",
            "Downloading      100%\n",
            "Extracting  (37)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.9s\n",
            "Downloading      100%\n",
            "Extracting  (37)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.0s\n",
            "Downloading      100%\n",
            "Extracting  (37)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.1s\n",
            "Downloading      100%\n",
            "Extracting  (37)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.2s\n",
            "Downloading      100%\n",
            "Extracting  (36)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.3s\n",
            "Downloading      100%\n",
            "Extracting  (36)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.4s\n",
            "Downloading      100%\n",
            "Extracting  (36)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.5s\n",
            "Downloading      100%\n",
            "Extracting  (36)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.6s\n",
            "Downloading      100%\n",
            "Extracting  (35)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.7s\n",
            "Downloading      100%\n",
            "Extracting  (35)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.8s\n",
            "Downloading      100%\n",
            "Extracting  (35)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.9s\n",
            "Downloading      100%\n",
            "Extracting  (35)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.0s\n",
            "Downloading      100%\n",
            "Extracting  (34)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.1s\n",
            "Downloading      100%\n",
            "Extracting  (34)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.2s\n",
            "Downloading      100%\n",
            "Extracting  (34)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.3s\n",
            "Downloading      100%\n",
            "Extracting  (34)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.4s\n",
            "Downloading      100%\n",
            "Extracting  (33)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.5s\n",
            "Downloading      100%\n",
            "Extracting  (33)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.6s\n",
            "Downloading      100%\n",
            "Extracting  (33)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.7s\n",
            "Downloading      100%\n",
            "Extracting  (33)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.8s\n",
            "Downloading      100%\n",
            "Extracting  (33)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.9s\n",
            "Downloading      100%\n",
            "Extracting  (32)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.0s\n",
            "Downloading      100%\n",
            "Extracting  (32)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.1s\n",
            "Downloading      100%\n",
            "Extracting  (32)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.2s\n",
            "Downloading      100%\n",
            "Extracting  (32)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.3s\n",
            "Downloading      100%\n",
            "Extracting  (32)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.4s\n",
            "Downloading      100%\n",
            "Extracting  (32)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.5s\n",
            "Downloading      100%\n",
            "Extracting  (32)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.6s\n",
            "Downloading      100%\n",
            "Extracting  (32)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.7s\n",
            "Downloading      100%\n",
            "Extracting  (30)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.8s\n",
            "Downloading      100%\n",
            "Extracting  (30)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.9s\n",
            "Downloading      100%\n",
            "Extracting  (30)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.0s\n",
            "Downloading      100%\n",
            "Extracting  (30)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.1s\n",
            "Downloading      100%\n",
            "Extracting  (30)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.2s\n",
            "Downloading      100%\n",
            "Extracting  (30)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.3s\n",
            "Downloading      100%\n",
            "Extracting  (30)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.4s\n",
            "Downloading      100%\n",
            "Extracting  (29)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.5s\n",
            "Downloading      100%\n",
            "Extracting  (29)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.6s\n",
            "Downloading      100%\n",
            "Extracting  (28)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.7s\n",
            "Downloading      100%\n",
            "Extracting  (28)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.8s\n",
            "Downloading      100%\n",
            "Extracting  (27)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.9s\n",
            "Downloading      100%\n",
            "Extracting  (27)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.0s\n",
            "Downloading      100%\n",
            "Extracting  (27)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.1s\n",
            "Downloading      100%\n",
            "Extracting  (27)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.2s\n",
            "Downloading      100%\n",
            "Extracting  (27)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.3s\n",
            "Downloading      100%\n",
            "Extracting  (27)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.4s\n",
            "Downloading      100%\n",
            "Extracting  (27)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.5s\n",
            "Downloading      100%\n",
            "Extracting  (26)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.6s\n",
            "Downloading      100%\n",
            "Extracting  (26)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.7s\n",
            "Downloading      100%\n",
            "Extracting  (26)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.8s\n",
            "Downloading      100%\n",
            "Extracting  (25)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 12.9s\n",
            "Downloading      100%\n",
            "Extracting  (25)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.0s\n",
            "Downloading      100%\n",
            "Extracting  (25)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.1s\n",
            "Downloading      100%\n",
            "Extracting  (25)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.2s\n",
            "Downloading      100%\n",
            "Extracting  (24)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.3s\n",
            "Downloading      100%\n",
            "Extracting  (24)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.4s\n",
            "Downloading      100%\n",
            "Extracting  (24)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.5s\n",
            "Downloading      100%\n",
            "Extracting  (24)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.6s\n",
            "Downloading      100%\n",
            "Extracting  (23)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.7s\n",
            "Downloading      100%\n",
            "Extracting  (23)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.8s\n",
            "Downloading      100%\n",
            "Extracting  (22)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 13.9s\n",
            "Downloading      100%\n",
            "Extracting  (22)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.0s\n",
            "Downloading      100%\n",
            "Extracting  (21)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.1s\n",
            "Downloading      100%\n",
            "Extracting  (21)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.2s\n",
            "Downloading      100%\n",
            "Extracting  (21)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.3s\n",
            "Downloading      100%\n",
            "Extracting  (21)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.4s\n",
            "Downloading      100%\n",
            "Extracting  (20)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.5s\n",
            "Downloading      100%\n",
            "Extracting  (19)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.6s\n",
            "Downloading      100%\n",
            "Extracting  (19)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.7s\n",
            "Downloading      100%\n",
            "Extracting  (19)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.8s\n",
            "Downloading      100%\n",
            "Extracting  (19)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 14.9s\n",
            "Downloading      100%\n",
            "Extracting  (19)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.0s\n",
            "Downloading      100%\n",
            "Extracting  (18)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.1s\n",
            "Downloading      100%\n",
            "Extracting  (17)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.2s\n",
            "Downloading      100%\n",
            "Extracting  (17)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.3s\n",
            "Downloading      100%\n",
            "Extracting  (17)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.4s\n",
            "Downloading      100%\n",
            "Extracting  (17)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.5s\n",
            "Downloading      100%\n",
            "Extracting  (16)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.6s\n",
            "Downloading      100%\n",
            "Extracting  (15)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.7s\n",
            "Downloading      100%\n",
            "Extracting  (15)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.8s\n",
            "Downloading      100%\n",
            "Extracting  (15)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 15.9s\n",
            "Downloading      100%\n",
            "Extracting  (15)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.0s\n",
            "Downloading      100%\n",
            "Extracting  (15)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.1s\n",
            "Downloading      100%\n",
            "Extracting  (14)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.2s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.3s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.4s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.5s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.6s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.7s\n",
            "Downloading      100%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.8s\n",
            "Downloading      100%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 16.9s\n",
            "Downloading      100%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.0s\n",
            "Downloading      100%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.1s\n",
            "Downloading      100%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.2s\n",
            "Downloading      100%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.3s\n",
            "Downloading      100%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.4s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.5s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.6s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.7s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.8s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 17.9s\n",
            "Downloading      100%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.0s\n",
            "Downloading      100%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.1s\n",
            "Downloading      100%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.2s\n",
            "Downloading      100%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.3s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.4s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.5s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.6s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.7s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.8s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 18.9s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.0s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.1s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.2s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.3s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.4s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.5s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.6s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.7s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.8s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 19.9s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.0s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.1s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.2s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.3s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.4s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.5s\n",
            "Downloading      100%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 20.7s\n",
            "Downloading      100%\n",
            "Extracting       100%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G\u001b[?25h\n",
            "Downloading and Extracting Packages\n",
            "\n",
            "Preparing transaction: - \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\bdone\n",
            "Verifying transaction: | \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\bdone\n",
            "Executing transaction: \\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\bdone\n",
            "\n",
            "                  __    __    __    __\n",
            "                 /  \\  /  \\  /  \\  /  \\\n",
            "                /    \\/    \\/    \\/    \\\n",
            "███████████████/  /██/  /██/  /██/  /████████████████████████\n",
            "              /  / \\   / \\   / \\   / \\  \\____\n",
            "             /  /   \\_/   \\_/   \\_/   \\    o \\__,\n",
            "            / _/                       \\_____/  `\n",
            "            |/\n",
            "        ███╗   ███╗ █████╗ ███╗   ███╗██████╗  █████╗\n",
            "        ████╗ ████║██╔══██╗████╗ ████║██╔══██╗██╔══██╗\n",
            "        ██╔████╔██║███████║██╔████╔██║██████╔╝███████║\n",
            "        ██║╚██╔╝██║██╔══██║██║╚██╔╝██║██╔══██╗██╔══██║\n",
            "        ██║ ╚═╝ ██║██║  ██║██║ ╚═╝ ██║██████╔╝██║  ██║\n",
            "        ╚═╝     ╚═╝╚═╝  ╚═╝╚═╝     ╚═╝╚═════╝ ╚═╝  ╚═╝\n",
            "\n",
            "        mamba (1.1.0) supported by @QuantStack\n",
            "\n",
            "        GitHub:  https://github.com/mamba-org/mamba\n",
            "        Twitter: https://twitter.com/QuantStack\n",
            "\n",
            "█████████████████████████████████████████████████████████████\n",
            "\n",
            "\n",
            "Looking for: ['openbabel']\n",
            "\n",
            "conda-forge/linux-64                                        Using cache\n",
            "conda-forge/noarch                                          Using cache\n",
            "\n",
            "Pinned packages:\n",
            "  - python 3.9.*\n",
            "  - python 3.9.*\n",
            "  - python_abi 3.9.* *cp39*\n",
            "  - cudatoolkit 11.8.*\n",
            "\n",
            "\n",
            "Transaction\n",
            "\n",
            "  Prefix: /usr/local\n",
            "\n",
            "  Updating specs:\n",
            "\n",
            "   - openbabel\n",
            "   - ca-certificates\n",
            "   - certifi\n",
            "   - openssl\n",
            "\n",
            "\n",
            "  Package      Version  Build           Channel                  Size\n",
            "───────────────────────────────────────────────────────────────────────\n",
            "  Install:\n",
            "───────────────────────────────────────────────────────────────────────\n",
            "\n",
            "  \u001b[32m+ openbabel\u001b[0m    3.1.1  py39h80c93ca_5  conda-forge/linux-64      6MB\n",
            "\n",
            "  Summary:\n",
            "\n",
            "  Install: 1 packages\n",
            "\n",
            "  Total download: 6MB\n",
            "\n",
            "───────────────────────────────────────────────────────────────────────\n",
            "\n",
            "\n",
            "\u001b[?25l\u001b[2K\u001b[0G[+] 0.0s\n",
            "Downloading  (1)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.1s\n",
            "Downloading  (1)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.2s\n",
            "Downloading  (1)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.3s\n",
            "Downloading  (1)   2%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gopenbabel                                            5.8MB @  17.4MB/s  0.3s\n",
            "[+] 0.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.8s\n",
            "Downloading      100%\n",
            "Extracting       100%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G\u001b[?25h\n",
            "Downloading and Extracting Packages\n",
            "\n",
            "Preparing transaction: - \b\bdone\n",
            "Verifying transaction: | \b\b/ \b\bdone\n",
            "Executing transaction: \\ \b\bdone\n",
            "\n",
            "                  __    __    __    __\n",
            "                 /  \\  /  \\  /  \\  /  \\\n",
            "                /    \\/    \\/    \\/    \\\n",
            "███████████████/  /██/  /██/  /██/  /████████████████████████\n",
            "              /  / \\   / \\   / \\   / \\  \\____\n",
            "             /  /   \\_/   \\_/   \\_/   \\    o \\__,\n",
            "            / _/                       \\_____/  `\n",
            "            |/\n",
            "        ███╗   ███╗ █████╗ ███╗   ███╗██████╗  █████╗\n",
            "        ████╗ ████║██╔══██╗████╗ ████║██╔══██╗██╔══██╗\n",
            "        ██╔████╔██║███████║██╔████╔██║██████╔╝███████║\n",
            "        ██║╚██╔╝██║██╔══██║██║╚██╔╝██║██╔══██╗██╔══██║\n",
            "        ██║ ╚═╝ ██║██║  ██║██║ ╚═╝ ██║██████╔╝██║  ██║\n",
            "        ╚═╝     ╚═╝╚═╝  ╚═╝╚═╝     ╚═╝╚═════╝ ╚═╝  ╚═╝\n",
            "\n",
            "        mamba (1.1.0) supported by @QuantStack\n",
            "\n",
            "        GitHub:  https://github.com/mamba-org/mamba\n",
            "        Twitter: https://twitter.com/QuantStack\n",
            "\n",
            "█████████████████████████████████████████████████████████████\n",
            "\n",
            "\n",
            "Looking for: ['mdtraj']\n",
            "\n",
            "conda-forge/linux-64                                        Using cache\n",
            "conda-forge/noarch                                          Using cache\n",
            "\n",
            "Pinned packages:\n",
            "  - python 3.9.*\n",
            "  - python 3.9.*\n",
            "  - python_abi 3.9.* *cp39*\n",
            "  - cudatoolkit 11.8.*\n",
            "\n",
            "\n",
            "Transaction\n",
            "\n",
            "  Prefix: /usr/local\n",
            "\n",
            "  Updating specs:\n",
            "\n",
            "   - mdtraj\n",
            "   - ca-certificates\n",
            "   - certifi\n",
            "   - openssl\n",
            "\n",
            "\n",
            "  Package         Version  Build               Channel                   Size\n",
            "───────────────────────────────────────────────────────────────────────────────\n",
            "  Install:\n",
            "───────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "  \u001b[32m+ astunparse  \u001b[0m    1.6.3  pyhd8ed1ab_0        conda-forge/noarch        16kB\n",
            "  \u001b[32m+ blosc       \u001b[0m   1.21.3  hafa529b_0          conda-forge/linux-64      40kB\n",
            "  \u001b[32m+ c-blosc2    \u001b[0m    2.8.0  hf91038e_1          conda-forge/linux-64     284kB\n",
            "  \u001b[32m+ hdf5        \u001b[0m   1.14.0  nompi_hb72d44e_103  conda-forge/linux-64       4MB\n",
            "  \u001b[32m+ libaec      \u001b[0m    1.0.6  hcb278e6_1          conda-forge/linux-64      34kB\n",
            "  \u001b[32m+ mdtraj      \u001b[0m    1.9.7  py39h62423bb_4      conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ nomkl       \u001b[0m      1.0  h5ca1d4c_0          conda-forge/noarch         4kB\n",
            "  \u001b[32m+ numexpr     \u001b[0m    2.8.4  py39h5ef5dce_100    conda-forge/linux-64     128kB\n",
            "  \u001b[32m+ platformdirs\u001b[0m    3.2.0  pyhd8ed1ab_0        conda-forge/noarch        18kB\n",
            "  \u001b[32m+ pooch       \u001b[0m    1.7.0  pyha770c72_3        conda-forge/noarch        51kB\n",
            "  \u001b[32m+ py-cpuinfo  \u001b[0m    9.0.0  pyhd8ed1ab_0        conda-forge/noarch        25kB\n",
            "  \u001b[32m+ pytables    \u001b[0m    3.8.0  py39hac3db9e_1      conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ scipy       \u001b[0m   1.10.1  py39he83f1e1_0      conda-forge/linux-64      20MB\n",
            "  \u001b[32m+ snappy      \u001b[0m   1.1.10  h9fff704_0          conda-forge/linux-64      39kB\n",
            "  \u001b[32m+ zlib-ng     \u001b[0m    2.0.7  h0b41bf4_0          conda-forge/linux-64      95kB\n",
            "\n",
            "  Summary:\n",
            "\n",
            "  Install: 15 packages\n",
            "\n",
            "  Total download: 29MB\n",
            "\n",
            "───────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "\n",
            "\u001b[?25l\u001b[2K\u001b[0G[+] 0.0s\n",
            "Downloading        0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gnomkl                                                3.8kB @  44.7kB/s  0.1s\n",
            "[+] 0.1s\n",
            "Downloading  (5)   1%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gpy-cpuinfo                                          24.9kB @ 247.1kB/s  0.1s\n",
            "astunparse                                          15.5kB @ 152.6kB/s  0.1s\n",
            "pooch                                               50.9kB @ 464.2kB/s  0.1s\n",
            "platformdirs                                        17.9kB @ 159.3kB/s  0.1s\n",
            "blosc                                               40.3kB @ 345.2kB/s  0.0s\n",
            "snappy                                              38.9kB @ 285.5kB/s  0.0s\n",
            "zlib-ng                                             94.6kB @ 533.7kB/s  0.0s\n",
            "numexpr                                            127.8kB @ 666.7kB/s  0.1s\n",
            "[+] 0.2s\n",
            "Downloading  (5)   3%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gpytables                                             2.0MB @   9.0MB/s  0.1s\n",
            "mdtraj                                               1.8MB @   8.2MB/s  0.1s\n",
            "libaec                                              34.4kB @ 153.0kB/s  0.1s\n",
            "[+] 0.3s\n",
            "Downloading  (3)  42%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gc-blosc2                                           284.1kB @ 886.7kB/s  0.1s\n",
            "hdf5                                                 3.6MB @  11.0MB/s  0.1s\n",
            "scipy                                               20.4MB @  51.7MB/s  0.3s\n",
            "[+] 0.4s\n",
            "Downloading      100%\n",
            "Extracting  (14)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.5s\n",
            "Downloading      100%\n",
            "Extracting  (15)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.6s\n",
            "Downloading      100%\n",
            "Extracting  (15)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.7s\n",
            "Downloading      100%\n",
            "Extracting  (15)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.8s\n",
            "Downloading      100%\n",
            "Extracting  (14)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.9s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.0s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.1s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.2s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.3s\n",
            "Downloading      100%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.4s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.5s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.6s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.7s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.8s\n",
            "Downloading      100%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.9s\n",
            "Downloading      100%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.0s\n",
            "Downloading      100%\n",
            "Extracting  (10)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.1s\n",
            "Downloading      100%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.2s\n",
            "Downloading      100%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.3s\n",
            "Downloading      100%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.4s\n",
            "Downloading      100%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.5s\n",
            "Downloading      100%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.6s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.7s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.8s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.9s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.0s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.1s\n",
            "Downloading      100%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.2s\n",
            "Downloading      100%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.3s\n",
            "Downloading      100%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.4s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.5s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.6s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.7s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.8s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.9s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.0s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.1s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.2s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.3s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.4s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.5s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.6s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.7s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.8s\n",
            "Downloading      100%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.9s\n",
            "Downloading      100%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G\u001b[?25h\n",
            "Downloading and Extracting Packages\n",
            "\n",
            "Preparing transaction: - \b\bdone\n",
            "Verifying transaction: | \b\b/ \b\b- \b\bdone\n",
            "Executing transaction: | \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\bdone\n",
            "Looking in indexes: https://pypi.org/simple, https://us-python.pkg.dev/colab-wheels/public/simple/\n",
            "Collecting py3Dmol\n",
            "  Downloading py3Dmol-2.0.1.post1-py2.py3-none-any.whl (12 kB)\n",
            "Installing collected packages: py3Dmol\n",
            "Successfully installed py3Dmol-2.0.1.post1\n",
            "\u001b[33mWARNING: Running pip as the 'root' user can result in broken permissions and conflicting behaviour with the system package manager. It is recommended to use a virtual environment instead: https://pip.pypa.io/warnings/venv\u001b[0m\u001b[33m\n",
            "\u001b[0m"
          ]
        }
      ],
      "source": [
        "!pip3 install -q condacolab\n",
        "import condacolab\n",
        "condacolab.install()\n",
        "!mamba install openmm\n",
        "!mamba install rdkit\n",
        "!mamba install openbabel\n",
        "!mamba install mdtraj\n",
        "!pip install py3Dmol # 3D Molecular Visualizer\n",
        "import sys\n",
        "import os"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "LOqfCOtYHcXy"
      },
      "source": [
        "Installing the rdkit patkage"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 1,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "YDBNN6Ygh8JF",
        "outputId": "d5ccd4b7-8e34-4f41-a28d-650390a57254"
      },
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "2022.09.4\n"
          ]
        }
      ],
      "source": [
        "import os\n",
        "import numpy as np\n",
        "from sklearn.ensemble import RandomForestClassifier\n",
        "from sklearn.model_selection import StratifiedKFold\n",
        "from sklearn.metrics import accuracy_score\n",
        "from rdkit import Chem\n",
        "from rdkit.Chem import AllChem\n",
        "from rdkit.Chem import Draw\n",
        "from rdkit.Chem.Draw import IPythonConsole\n",
        "from rdkit.Chem import DataStructs\n",
        "from rdkit.Chem import RDConfig\n",
        "from rdkit.Chem import rdBase\n",
        "import pickle\n",
        "from sklearn.metrics import classification_report, confusion_matrix, accuracy_score\n",
        "print(rdBase.rdkitVersion)"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 2,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "yaLvbWwQkPRf",
        "outputId": "f20924c1-fa38-4ae3-ca46-240be94ffa13"
      },
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Cloning into 'qvina'...\n",
            "remote: Enumerating objects: 526, done.\u001b[K\n",
            "remote: Counting objects: 100% (16/16), done.\u001b[K\n",
            "remote: Compressing objects: 100% (16/16), done.\u001b[K\n",
            "remote: Total 526 (delta 1), reused 15 (delta 0), pack-reused 510\u001b[K\n",
            "Receiving objects: 100% (526/526), 27.52 MiB | 16.88 MiB/s, done.\n",
            "Resolving deltas: 100% (278/278), done.\n"
          ]
        }
      ],
      "source": [
        "!rm -rf qvina*\n",
        "!git clone https://github.com/QVina/qvina.git"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "xyB_F6Rp-weS"
      },
      "source": [
        "## Step2: Download QVINA-W (git clon) and testing"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 3,
      "metadata": {
        "id": "SC4kTPlFkki5"
      },
      "outputs": [],
      "source": [
        "!cp qvina/bin/qvina-w .\n",
        "!chmod u+x qvina-w"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "iZGFOyXM_Chl"
      },
      "source": [
        "### update the zikans2bns3 protease and compounds (data set) from google driver"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 4,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 370
        },
        "id": "gCuJOcPRlMSv",
        "outputId": "22082830-f1d9-4c12-d39b-1a0c06b2c71b"
      },
      "outputs": [
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<IPython.core.display.HTML object>"
            ],
            "text/html": [
              "\n",
              "     <input type=\"file\" id=\"files-e4015199-09ae-4299-b4df-92daef9f3d75\" name=\"files[]\" multiple disabled\n",
              "        style=\"border:none\" />\n",
              "     <output id=\"result-e4015199-09ae-4299-b4df-92daef9f3d75\">\n",
              "      Upload widget is only available when the cell has been executed in the\n",
              "      current browser session. Please rerun this cell to enable.\n",
              "      </output>\n",
              "      <script>// Copyright 2017 Google LLC\n",
              "//\n",
              "// Licensed under the Apache License, Version 2.0 (the \"License\");\n",
              "// you may not use this file except in compliance with the License.\n",
              "// You may obtain a copy of the License at\n",
              "//\n",
              "//      http://www.apache.org/licenses/LICENSE-2.0\n",
              "//\n",
              "// Unless required by applicable law or agreed to in writing, software\n",
              "// distributed under the License is distributed on an \"AS IS\" BASIS,\n",
              "// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n",
              "// See the License for the specific language governing permissions and\n",
              "// limitations under the License.\n",
              "\n",
              "/**\n",
              " * @fileoverview Helpers for google.colab Python module.\n",
              " */\n",
              "(function(scope) {\n",
              "function span(text, styleAttributes = {}) {\n",
              "  const element = document.createElement('span');\n",
              "  element.textContent = text;\n",
              "  for (const key of Object.keys(styleAttributes)) {\n",
              "    element.style[key] = styleAttributes[key];\n",
              "  }\n",
              "  return element;\n",
              "}\n",
              "\n",
              "// Max number of bytes which will be uploaded at a time.\n",
              "const MAX_PAYLOAD_SIZE = 100 * 1024;\n",
              "\n",
              "function _uploadFiles(inputId, outputId) {\n",
              "  const steps = uploadFilesStep(inputId, outputId);\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  // Cache steps on the outputElement to make it available for the next call\n",
              "  // to uploadFilesContinue from Python.\n",
              "  outputElement.steps = steps;\n",
              "\n",
              "  return _uploadFilesContinue(outputId);\n",
              "}\n",
              "\n",
              "// This is roughly an async generator (not supported in the browser yet),\n",
              "// where there are multiple asynchronous steps and the Python side is going\n",
              "// to poll for completion of each step.\n",
              "// This uses a Promise to block the python side on completion of each step,\n",
              "// then passes the result of the previous step as the input to the next step.\n",
              "function _uploadFilesContinue(outputId) {\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  const steps = outputElement.steps;\n",
              "\n",
              "  const next = steps.next(outputElement.lastPromiseValue);\n",
              "  return Promise.resolve(next.value.promise).then((value) => {\n",
              "    // Cache the last promise value to make it available to the next\n",
              "    // step of the generator.\n",
              "    outputElement.lastPromiseValue = value;\n",
              "    return next.value.response;\n",
              "  });\n",
              "}\n",
              "\n",
              "/**\n",
              " * Generator function which is called between each async step of the upload\n",
              " * process.\n",
              " * @param {string} inputId Element ID of the input file picker element.\n",
              " * @param {string} outputId Element ID of the output display.\n",
              " * @return {!Iterable<!Object>} Iterable of next steps.\n",
              " */\n",
              "function* uploadFilesStep(inputId, outputId) {\n",
              "  const inputElement = document.getElementById(inputId);\n",
              "  inputElement.disabled = false;\n",
              "\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  outputElement.innerHTML = '';\n",
              "\n",
              "  const pickedPromise = new Promise((resolve) => {\n",
              "    inputElement.addEventListener('change', (e) => {\n",
              "      resolve(e.target.files);\n",
              "    });\n",
              "  });\n",
              "\n",
              "  const cancel = document.createElement('button');\n",
              "  inputElement.parentElement.appendChild(cancel);\n",
              "  cancel.textContent = 'Cancel upload';\n",
              "  const cancelPromise = new Promise((resolve) => {\n",
              "    cancel.onclick = () => {\n",
              "      resolve(null);\n",
              "    };\n",
              "  });\n",
              "\n",
              "  // Wait for the user to pick the files.\n",
              "  const files = yield {\n",
              "    promise: Promise.race([pickedPromise, cancelPromise]),\n",
              "    response: {\n",
              "      action: 'starting',\n",
              "    }\n",
              "  };\n",
              "\n",
              "  cancel.remove();\n",
              "\n",
              "  // Disable the input element since further picks are not allowed.\n",
              "  inputElement.disabled = true;\n",
              "\n",
              "  if (!files) {\n",
              "    return {\n",
              "      response: {\n",
              "        action: 'complete',\n",
              "      }\n",
              "    };\n",
              "  }\n",
              "\n",
              "  for (const file of files) {\n",
              "    const li = document.createElement('li');\n",
              "    li.append(span(file.name, {fontWeight: 'bold'}));\n",
              "    li.append(span(\n",
              "        `(${file.type || 'n/a'}) - ${file.size} bytes, ` +\n",
              "        `last modified: ${\n",
              "            file.lastModifiedDate ? file.lastModifiedDate.toLocaleDateString() :\n",
              "                                    'n/a'} - `));\n",
              "    const percent = span('0% done');\n",
              "    li.appendChild(percent);\n",
              "\n",
              "    outputElement.appendChild(li);\n",
              "\n",
              "    const fileDataPromise = new Promise((resolve) => {\n",
              "      const reader = new FileReader();\n",
              "      reader.onload = (e) => {\n",
              "        resolve(e.target.result);\n",
              "      };\n",
              "      reader.readAsArrayBuffer(file);\n",
              "    });\n",
              "    // Wait for the data to be ready.\n",
              "    let fileData = yield {\n",
              "      promise: fileDataPromise,\n",
              "      response: {\n",
              "        action: 'continue',\n",
              "      }\n",
              "    };\n",
              "\n",
              "    // Use a chunked sending to avoid message size limits. See b/62115660.\n",
              "    let position = 0;\n",
              "    do {\n",
              "      const length = Math.min(fileData.byteLength - position, MAX_PAYLOAD_SIZE);\n",
              "      const chunk = new Uint8Array(fileData, position, length);\n",
              "      position += length;\n",
              "\n",
              "      const base64 = btoa(String.fromCharCode.apply(null, chunk));\n",
              "      yield {\n",
              "        response: {\n",
              "          action: 'append',\n",
              "          file: file.name,\n",
              "          data: base64,\n",
              "        },\n",
              "      };\n",
              "\n",
              "      let percentDone = fileData.byteLength === 0 ?\n",
              "          100 :\n",
              "          Math.round((position / fileData.byteLength) * 100);\n",
              "      percent.textContent = `${percentDone}% done`;\n",
              "\n",
              "    } while (position < fileData.byteLength);\n",
              "  }\n",
              "\n",
              "  // All done.\n",
              "  yield {\n",
              "    response: {\n",
              "      action: 'complete',\n",
              "    }\n",
              "  };\n",
              "}\n",
              "\n",
              "scope.google = scope.google || {};\n",
              "scope.google.colab = scope.google.colab || {};\n",
              "scope.google.colab._files = {\n",
              "  _uploadFiles,\n",
              "  _uploadFilesContinue,\n",
              "};\n",
              "})(self);\n",
              "</script> "
            ]
          },
          "metadata": {}
        },
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Saving rec3.pdb to rec3.pdb\n"
          ]
        },
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<IPython.core.display.HTML object>"
            ],
            "text/html": [
              "\n",
              "     <input type=\"file\" id=\"files-a20e81a1-5ee9-48cd-bb53-180b1d76651c\" name=\"files[]\" multiple disabled\n",
              "        style=\"border:none\" />\n",
              "     <output id=\"result-a20e81a1-5ee9-48cd-bb53-180b1d76651c\">\n",
              "      Upload widget is only available when the cell has been executed in the\n",
              "      current browser session. Please rerun this cell to enable.\n",
              "      </output>\n",
              "      <script>// Copyright 2017 Google LLC\n",
              "//\n",
              "// Licensed under the Apache License, Version 2.0 (the \"License\");\n",
              "// you may not use this file except in compliance with the License.\n",
              "// You may obtain a copy of the License at\n",
              "//\n",
              "//      http://www.apache.org/licenses/LICENSE-2.0\n",
              "//\n",
              "// Unless required by applicable law or agreed to in writing, software\n",
              "// distributed under the License is distributed on an \"AS IS\" BASIS,\n",
              "// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n",
              "// See the License for the specific language governing permissions and\n",
              "// limitations under the License.\n",
              "\n",
              "/**\n",
              " * @fileoverview Helpers for google.colab Python module.\n",
              " */\n",
              "(function(scope) {\n",
              "function span(text, styleAttributes = {}) {\n",
              "  const element = document.createElement('span');\n",
              "  element.textContent = text;\n",
              "  for (const key of Object.keys(styleAttributes)) {\n",
              "    element.style[key] = styleAttributes[key];\n",
              "  }\n",
              "  return element;\n",
              "}\n",
              "\n",
              "// Max number of bytes which will be uploaded at a time.\n",
              "const MAX_PAYLOAD_SIZE = 100 * 1024;\n",
              "\n",
              "function _uploadFiles(inputId, outputId) {\n",
              "  const steps = uploadFilesStep(inputId, outputId);\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  // Cache steps on the outputElement to make it available for the next call\n",
              "  // to uploadFilesContinue from Python.\n",
              "  outputElement.steps = steps;\n",
              "\n",
              "  return _uploadFilesContinue(outputId);\n",
              "}\n",
              "\n",
              "// This is roughly an async generator (not supported in the browser yet),\n",
              "// where there are multiple asynchronous steps and the Python side is going\n",
              "// to poll for completion of each step.\n",
              "// This uses a Promise to block the python side on completion of each step,\n",
              "// then passes the result of the previous step as the input to the next step.\n",
              "function _uploadFilesContinue(outputId) {\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  const steps = outputElement.steps;\n",
              "\n",
              "  const next = steps.next(outputElement.lastPromiseValue);\n",
              "  return Promise.resolve(next.value.promise).then((value) => {\n",
              "    // Cache the last promise value to make it available to the next\n",
              "    // step of the generator.\n",
              "    outputElement.lastPromiseValue = value;\n",
              "    return next.value.response;\n",
              "  });\n",
              "}\n",
              "\n",
              "/**\n",
              " * Generator function which is called between each async step of the upload\n",
              " * process.\n",
              " * @param {string} inputId Element ID of the input file picker element.\n",
              " * @param {string} outputId Element ID of the output display.\n",
              " * @return {!Iterable<!Object>} Iterable of next steps.\n",
              " */\n",
              "function* uploadFilesStep(inputId, outputId) {\n",
              "  const inputElement = document.getElementById(inputId);\n",
              "  inputElement.disabled = false;\n",
              "\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  outputElement.innerHTML = '';\n",
              "\n",
              "  const pickedPromise = new Promise((resolve) => {\n",
              "    inputElement.addEventListener('change', (e) => {\n",
              "      resolve(e.target.files);\n",
              "    });\n",
              "  });\n",
              "\n",
              "  const cancel = document.createElement('button');\n",
              "  inputElement.parentElement.appendChild(cancel);\n",
              "  cancel.textContent = 'Cancel upload';\n",
              "  const cancelPromise = new Promise((resolve) => {\n",
              "    cancel.onclick = () => {\n",
              "      resolve(null);\n",
              "    };\n",
              "  });\n",
              "\n",
              "  // Wait for the user to pick the files.\n",
              "  const files = yield {\n",
              "    promise: Promise.race([pickedPromise, cancelPromise]),\n",
              "    response: {\n",
              "      action: 'starting',\n",
              "    }\n",
              "  };\n",
              "\n",
              "  cancel.remove();\n",
              "\n",
              "  // Disable the input element since further picks are not allowed.\n",
              "  inputElement.disabled = true;\n",
              "\n",
              "  if (!files) {\n",
              "    return {\n",
              "      response: {\n",
              "        action: 'complete',\n",
              "      }\n",
              "    };\n",
              "  }\n",
              "\n",
              "  for (const file of files) {\n",
              "    const li = document.createElement('li');\n",
              "    li.append(span(file.name, {fontWeight: 'bold'}));\n",
              "    li.append(span(\n",
              "        `(${file.type || 'n/a'}) - ${file.size} bytes, ` +\n",
              "        `last modified: ${\n",
              "            file.lastModifiedDate ? file.lastModifiedDate.toLocaleDateString() :\n",
              "                                    'n/a'} - `));\n",
              "    const percent = span('0% done');\n",
              "    li.appendChild(percent);\n",
              "\n",
              "    outputElement.appendChild(li);\n",
              "\n",
              "    const fileDataPromise = new Promise((resolve) => {\n",
              "      const reader = new FileReader();\n",
              "      reader.onload = (e) => {\n",
              "        resolve(e.target.result);\n",
              "      };\n",
              "      reader.readAsArrayBuffer(file);\n",
              "    });\n",
              "    // Wait for the data to be ready.\n",
              "    let fileData = yield {\n",
              "      promise: fileDataPromise,\n",
              "      response: {\n",
              "        action: 'continue',\n",
              "      }\n",
              "    };\n",
              "\n",
              "    // Use a chunked sending to avoid message size limits. See b/62115660.\n",
              "    let position = 0;\n",
              "    do {\n",
              "      const length = Math.min(fileData.byteLength - position, MAX_PAYLOAD_SIZE);\n",
              "      const chunk = new Uint8Array(fileData, position, length);\n",
              "      position += length;\n",
              "\n",
              "      const base64 = btoa(String.fromCharCode.apply(null, chunk));\n",
              "      yield {\n",
              "        response: {\n",
              "          action: 'append',\n",
              "          file: file.name,\n",
              "          data: base64,\n",
              "        },\n",
              "      };\n",
              "\n",
              "      let percentDone = fileData.byteLength === 0 ?\n",
              "          100 :\n",
              "          Math.round((position / fileData.byteLength) * 100);\n",
              "      percent.textContent = `${percentDone}% done`;\n",
              "\n",
              "    } while (position < fileData.byteLength);\n",
              "  }\n",
              "\n",
              "  // All done.\n",
              "  yield {\n",
              "    response: {\n",
              "      action: 'complete',\n",
              "    }\n",
              "  };\n",
              "}\n",
              "\n",
              "scope.google = scope.google || {};\n",
              "scope.google.colab = scope.google.colab || {};\n",
              "scope.google.colab._files = {\n",
              "  _uploadFiles,\n",
              "  _uploadFilesContinue,\n",
              "};\n",
              "})(self);\n",
              "</script> "
            ]
          },
          "metadata": {}
        },
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Saving compound01.mol to compound01.mol\n"
          ]
        },
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<IPython.core.display.HTML object>"
            ],
            "text/html": [
              "\n",
              "     <input type=\"file\" id=\"files-5969d67e-e91b-4bc1-bc2b-9c48ee5c8f65\" name=\"files[]\" multiple disabled\n",
              "        style=\"border:none\" />\n",
              "     <output id=\"result-5969d67e-e91b-4bc1-bc2b-9c48ee5c8f65\">\n",
              "      Upload widget is only available when the cell has been executed in the\n",
              "      current browser session. Please rerun this cell to enable.\n",
              "      </output>\n",
              "      <script>// Copyright 2017 Google LLC\n",
              "//\n",
              "// Licensed under the Apache License, Version 2.0 (the \"License\");\n",
              "// you may not use this file except in compliance with the License.\n",
              "// You may obtain a copy of the License at\n",
              "//\n",
              "//      http://www.apache.org/licenses/LICENSE-2.0\n",
              "//\n",
              "// Unless required by applicable law or agreed to in writing, software\n",
              "// distributed under the License is distributed on an \"AS IS\" BASIS,\n",
              "// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n",
              "// See the License for the specific language governing permissions and\n",
              "// limitations under the License.\n",
              "\n",
              "/**\n",
              " * @fileoverview Helpers for google.colab Python module.\n",
              " */\n",
              "(function(scope) {\n",
              "function span(text, styleAttributes = {}) {\n",
              "  const element = document.createElement('span');\n",
              "  element.textContent = text;\n",
              "  for (const key of Object.keys(styleAttributes)) {\n",
              "    element.style[key] = styleAttributes[key];\n",
              "  }\n",
              "  return element;\n",
              "}\n",
              "\n",
              "// Max number of bytes which will be uploaded at a time.\n",
              "const MAX_PAYLOAD_SIZE = 100 * 1024;\n",
              "\n",
              "function _uploadFiles(inputId, outputId) {\n",
              "  const steps = uploadFilesStep(inputId, outputId);\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  // Cache steps on the outputElement to make it available for the next call\n",
              "  // to uploadFilesContinue from Python.\n",
              "  outputElement.steps = steps;\n",
              "\n",
              "  return _uploadFilesContinue(outputId);\n",
              "}\n",
              "\n",
              "// This is roughly an async generator (not supported in the browser yet),\n",
              "// where there are multiple asynchronous steps and the Python side is going\n",
              "// to poll for completion of each step.\n",
              "// This uses a Promise to block the python side on completion of each step,\n",
              "// then passes the result of the previous step as the input to the next step.\n",
              "function _uploadFilesContinue(outputId) {\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  const steps = outputElement.steps;\n",
              "\n",
              "  const next = steps.next(outputElement.lastPromiseValue);\n",
              "  return Promise.resolve(next.value.promise).then((value) => {\n",
              "    // Cache the last promise value to make it available to the next\n",
              "    // step of the generator.\n",
              "    outputElement.lastPromiseValue = value;\n",
              "    return next.value.response;\n",
              "  });\n",
              "}\n",
              "\n",
              "/**\n",
              " * Generator function which is called between each async step of the upload\n",
              " * process.\n",
              " * @param {string} inputId Element ID of the input file picker element.\n",
              " * @param {string} outputId Element ID of the output display.\n",
              " * @return {!Iterable<!Object>} Iterable of next steps.\n",
              " */\n",
              "function* uploadFilesStep(inputId, outputId) {\n",
              "  const inputElement = document.getElementById(inputId);\n",
              "  inputElement.disabled = false;\n",
              "\n",
              "  const outputElement = document.getElementById(outputId);\n",
              "  outputElement.innerHTML = '';\n",
              "\n",
              "  const pickedPromise = new Promise((resolve) => {\n",
              "    inputElement.addEventListener('change', (e) => {\n",
              "      resolve(e.target.files);\n",
              "    });\n",
              "  });\n",
              "\n",
              "  const cancel = document.createElement('button');\n",
              "  inputElement.parentElement.appendChild(cancel);\n",
              "  cancel.textContent = 'Cancel upload';\n",
              "  const cancelPromise = new Promise((resolve) => {\n",
              "    cancel.onclick = () => {\n",
              "      resolve(null);\n",
              "    };\n",
              "  });\n",
              "\n",
              "  // Wait for the user to pick the files.\n",
              "  const files = yield {\n",
              "    promise: Promise.race([pickedPromise, cancelPromise]),\n",
              "    response: {\n",
              "      action: 'starting',\n",
              "    }\n",
              "  };\n",
              "\n",
              "  cancel.remove();\n",
              "\n",
              "  // Disable the input element since further picks are not allowed.\n",
              "  inputElement.disabled = true;\n",
              "\n",
              "  if (!files) {\n",
              "    return {\n",
              "      response: {\n",
              "        action: 'complete',\n",
              "      }\n",
              "    };\n",
              "  }\n",
              "\n",
              "  for (const file of files) {\n",
              "    const li = document.createElement('li');\n",
              "    li.append(span(file.name, {fontWeight: 'bold'}));\n",
              "    li.append(span(\n",
              "        `(${file.type || 'n/a'}) - ${file.size} bytes, ` +\n",
              "        `last modified: ${\n",
              "            file.lastModifiedDate ? file.lastModifiedDate.toLocaleDateString() :\n",
              "                                    'n/a'} - `));\n",
              "    const percent = span('0% done');\n",
              "    li.appendChild(percent);\n",
              "\n",
              "    outputElement.appendChild(li);\n",
              "\n",
              "    const fileDataPromise = new Promise((resolve) => {\n",
              "      const reader = new FileReader();\n",
              "      reader.onload = (e) => {\n",
              "        resolve(e.target.result);\n",
              "      };\n",
              "      reader.readAsArrayBuffer(file);\n",
              "    });\n",
              "    // Wait for the data to be ready.\n",
              "    let fileData = yield {\n",
              "      promise: fileDataPromise,\n",
              "      response: {\n",
              "        action: 'continue',\n",
              "      }\n",
              "    };\n",
              "\n",
              "    // Use a chunked sending to avoid message size limits. See b/62115660.\n",
              "    let position = 0;\n",
              "    do {\n",
              "      const length = Math.min(fileData.byteLength - position, MAX_PAYLOAD_SIZE);\n",
              "      const chunk = new Uint8Array(fileData, position, length);\n",
              "      position += length;\n",
              "\n",
              "      const base64 = btoa(String.fromCharCode.apply(null, chunk));\n",
              "      yield {\n",
              "        response: {\n",
              "          action: 'append',\n",
              "          file: file.name,\n",
              "          data: base64,\n",
              "        },\n",
              "      };\n",
              "\n",
              "      let percentDone = fileData.byteLength === 0 ?\n",
              "          100 :\n",
              "          Math.round((position / fileData.byteLength) * 100);\n",
              "      percent.textContent = `${percentDone}% done`;\n",
              "\n",
              "    } while (position < fileData.byteLength);\n",
              "  }\n",
              "\n",
              "  // All done.\n",
              "  yield {\n",
              "    response: {\n",
              "      action: 'complete',\n",
              "    }\n",
              "  };\n",
              "}\n",
              "\n",
              "scope.google = scope.google || {};\n",
              "scope.google.colab = scope.google.colab || {};\n",
              "scope.google.colab._files = {\n",
              "  _uploadFiles,\n",
              "  _uploadFilesContinue,\n",
              "};\n",
              "})(self);\n",
              "</script> "
            ]
          },
          "metadata": {}
        },
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Saving conf to conf\n",
            "1 molecule converted\n",
            "total 4356\n",
            "-rw-r--r-- 1 root root   20653 Apr 23 12:54 condacolab_install.log\n",
            "-rw-r--r-- 1 root root     151 Apr 23 12:58 conf\n",
            "-rw-r--r-- 1 root root    3154 Apr 23 12:58 dock.mol\n",
            "-rw-r--r-- 1 root root    5204 Apr 23 12:58 dock.mol2\n",
            "drwxr-xr-x 8 root root    4096 Apr 23 12:57 qvina\n",
            "-rwxr--r-- 1 root root 4279488 Apr 23 12:57 qvina-w\n",
            "-rw-r--r-- 1 root root  127660 Apr 23 12:58 rec.pdb\n",
            "drwxr-xr-x 1 root root    4096 Apr 19 13:37 sample_data\n"
          ]
        }
      ],
      "source": [
        "from google.colab import files\n",
        "uploaded = files.upload()\n",
        "uploaded = files.upload()\n",
        "uploaded = files.upload()\n",
        "!mv *.pdb rec.pdb\n",
        "!mv *.mol dock.mol\n",
        "!obabel -imol dock.mol -omol2 -O dock.mol2 --gen3d -h\n",
        "!ls -l"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "qo8eqgx-_OFd"
      },
      "source": [
        "### intsall tools"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 5,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "cvV6wjFqmAuu",
        "outputId": "cdb7e377-2a25-45e6-9d44-52444711b2b4"
      },
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "\n",
            "                  __    __    __    __\n",
            "                 /  \\  /  \\  /  \\  /  \\\n",
            "                /    \\/    \\/    \\/    \\\n",
            "███████████████/  /██/  /██/  /██/  /████████████████████████\n",
            "              /  / \\   / \\   / \\   / \\  \\____\n",
            "             /  /   \\_/   \\_/   \\_/   \\    o \\__,\n",
            "            / _/                       \\_____/  `\n",
            "            |/\n",
            "        ███╗   ███╗ █████╗ ███╗   ███╗██████╗  █████╗\n",
            "        ████╗ ████║██╔══██╗████╗ ████║██╔══██╗██╔══██╗\n",
            "        ██╔████╔██║███████║██╔████╔██║██████╔╝███████║\n",
            "        ██║╚██╔╝██║██╔══██║██║╚██╔╝██║██╔══██╗██╔══██║\n",
            "        ██║ ╚═╝ ██║██║  ██║██║ ╚═╝ ██║██████╔╝██║  ██║\n",
            "        ╚═╝     ╚═╝╚═╝  ╚═╝╚═╝     ╚═╝╚═════╝ ╚═╝  ╚═╝\n",
            "\n",
            "        mamba (1.1.0) supported by @QuantStack\n",
            "\n",
            "        GitHub:  https://github.com/mamba-org/mamba\n",
            "        Twitter: https://twitter.com/QuantStack\n",
            "\n",
            "█████████████████████████████████████████████████████████████\n",
            "\n",
            "\n",
            "Looking for: ['ambertools']\n",
            "\n",
            "conda-forge/linux-64                                        Using cache\n",
            "conda-forge/noarch                                          Using cache\n",
            "\n",
            "Pinned packages:\n",
            "  - python 3.9.*\n",
            "  - python 3.9.*\n",
            "  - python_abi 3.9.* *cp39*\n",
            "  - cudatoolkit 11.8.*\n",
            "\n",
            "\n",
            "Transaction\n",
            "\n",
            "  Prefix: /usr/local\n",
            "\n",
            "  Updating specs:\n",
            "\n",
            "   - ambertools\n",
            "   - ca-certificates\n",
            "   - certifi\n",
            "   - openssl\n",
            "\n",
            "\n",
            "  Package           Version  Build               Channel                   Size\n",
            "─────────────────────────────────────────────────────────────────────────────────\n",
            "  Install:\n",
            "─────────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "  \u001b[32m+ ambertools    \u001b[0m     22.4  py39h804d063_0      conda-forge/linux-64      96MB\n",
            "  \u001b[32m+ arpack        \u001b[0m    3.7.0  hdefa2d7_2          conda-forge/linux-64     220kB\n",
            "  \u001b[32m+ curl          \u001b[0m   7.88.1  hdc1c0ab_0          conda-forge/linux-64      88kB\n",
            "  \u001b[32m+ cython        \u001b[0m  0.29.34  py39h227be39_0      conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ fftw          \u001b[0m   3.3.10  nompi_hc118613_107  conda-forge/linux-64       2MB\n",
            "  \u001b[32m+ hdf4          \u001b[0m   4.2.15  h501b40f_6          conda-forge/linux-64     758kB\n",
            "  \u001b[32m+ libnetcdf     \u001b[0m    4.9.1  nompi_hf3f8848_103  conda-forge/linux-64     811kB\n",
            "  \u001b[32m+ libzip        \u001b[0m    1.9.2  hc929e4a_1          conda-forge/linux-64      99kB\n",
            "  \u001b[32m+ netcdf-fortran\u001b[0m    4.6.0  nompi_h6fc414f_104  conda-forge/linux-64     417kB\n",
            "  \u001b[32m+ packmol       \u001b[0m   20.010  h86c2bf4_0          conda-forge/linux-64     132kB\n",
            "  \u001b[32m+ parmed        \u001b[0m    3.4.4  py39h227be39_0      conda-forge/linux-64     885kB\n",
            "  \u001b[32m+ perl          \u001b[0m   5.32.1  2_h7f98852_perl5    conda-forge/linux-64      15MB\n",
            "  \u001b[32m+ xorg-libxt    \u001b[0m    1.2.1  h7f98852_2          conda-forge/linux-64     384kB\n",
            "\n",
            "  Upgrade:\n",
            "─────────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "  \u001b[31m- readline      \u001b[0m    8.1.2  h0f457ee_0          conda-forge                   \n",
            "  \u001b[32m+ readline      \u001b[0m      8.2  h8228510_1          conda-forge/linux-64     281kB\n",
            "\n",
            "  Summary:\n",
            "\n",
            "  Install: 13 packages\n",
            "  Upgrade: 1 packages\n",
            "\n",
            "  Total download: 119MB\n",
            "\n",
            "─────────────────────────────────────────────────────────────────────────────────\n",
            "\n",
            "\n",
            "\u001b[?25l\u001b[2K\u001b[0G[+] 0.0s\n",
            "Downloading  (5)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.1s\n",
            "Downloading  (5)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.2s\n",
            "Downloading  (5)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Glibzip                                              99.4kB @ 407.2kB/s  0.2s\n",
            "readline                                           281.5kB @   1.1MB/s  0.3s\n",
            "curl                                                87.8kB @ 330.1kB/s  0.3s\n",
            "arpack                                             220.3kB @ 767.1kB/s  0.0s\n",
            "hdf4                                               757.7kB @   2.6MB/s  0.3s\n",
            "[+] 0.3s\n",
            "Downloading  (5)   2%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gcython                                               2.1MB @   6.7MB/s  0.3s\n",
            "packmol                                            132.3kB @ 405.7kB/s  0.0s\n",
            "libnetcdf                                          810.6kB @   2.4MB/s  0.1s\n",
            "netcdf-fortran                                     417.5kB @   1.2MB/s  0.0s\n",
            "xorg-libxt                                         383.8kB @   1.1MB/s  0.0s\n",
            "parmed                                             885.3kB @   2.4MB/s  0.1s\n",
            "[+] 0.4s\n",
            "Downloading  (3)   7%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gfftw                                                 2.1MB @   5.0MB/s  0.1s\n",
            "[+] 0.5s\n",
            "Downloading  (2)  18%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gperl                                                15.1MB @  27.1MB/s  0.2s\n",
            "[+] 0.6s\n",
            "Downloading  (1)  33%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.7s\n",
            "Downloading  (1)  43%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.8s\n",
            "Downloading  (1)  49%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.9s\n",
            "Downloading  (1)  58%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.0s\n",
            "Downloading  (1)  70%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.1s\n",
            "Downloading  (1)  75%\n",
            "Extracting  (13)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.2s\n",
            "Downloading  (1)  83%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.3s\n",
            "Downloading  (1)  90%\n",
            "Extracting  (11)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gambertools                                          95.9MB @  71.5MB/s  1.1s\n",
            "[+] 1.4s\n",
            "Downloading      100%\n",
            "Extracting  (12)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.5s\n",
            "Downloading      100%\n",
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            "Downloading      100%\n",
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            "Downloading      100%\n",
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            "Downloading      100%\n",
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            "Downloading      100%\n",
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            "Downloading      100%\n",
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            "Downloading      100%\n",
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            "Downloading      100%\n",
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            "Downloading      100%\n",
            "Extracting   (9)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.7s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.8s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.9s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.0s\n",
            "Downloading      100%\n",
            "Extracting   (8)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.1s\n",
            "Downloading      100%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.2s\n",
            "Downloading      100%\n",
            "Extracting   (7)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.3s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.4s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.5s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.6s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.7s\n",
            "Downloading      100%\n",
            "Extracting   (6)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.8s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.9s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.0s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.1s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.2s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.3s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.4s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.5s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.6s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.7s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.8s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.9s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.0s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.1s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.2s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.3s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.4s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.5s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.6s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.7s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.8s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.9s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.0s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.1s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.2s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.3s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.4s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.5s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.6s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.7s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.8s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.9s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.0s\n",
            "Downloading      100%\n",
            "Extracting   (5)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.1s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.2s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.3s\n",
            "Downloading      100%\n",
            "Extracting   (4)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.4s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.5s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.6s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.7s\n",
            "Downloading      100%\n",
            "Extracting   (3)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.8s\n",
            "Downloading      100%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.9s\n",
            "Downloading      100%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.0s\n",
            "Downloading      100%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.1s\n",
            "Downloading      100%\n",
            "Extracting   (2)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G\u001b[?25h\n",
            "Downloading and Extracting Packages\n",
            "\n",
            "Preparing transaction: - \b\b\\ \b\bdone\n",
            "Verifying transaction: / \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\bdone\n",
            "Executing transaction: - \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\bdone\n"
          ]
        }
      ],
      "source": [
        "!mamba install ambertools --yes"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "9nQzUMcl_VZy"
      },
      "source": [
        "## Step 4: Dock the ligand with qvina-w (bash shell only in the block)"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 6,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "6qDaEnIjmE9S",
        "outputId": "c2ec4178-5607-44bf-ad18-34a6f0cbd237"
      },
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "\n",
            "                  __    __    __    __\n",
            "                 /  \\  /  \\  /  \\  /  \\\n",
            "                /    \\/    \\/    \\/    \\\n",
            "███████████████/  /██/  /██/  /██/  /████████████████████████\n",
            "              /  / \\   / \\   / \\   / \\  \\____\n",
            "             /  /   \\_/   \\_/   \\_/   \\    o \\__,\n",
            "            / _/                       \\_____/  `\n",
            "            |/\n",
            "        ███╗   ███╗ █████╗ ███╗   ███╗██████╗  █████╗\n",
            "        ████╗ ████║██╔══██╗████╗ ████║██╔══██╗██╔══██╗\n",
            "        ██╔████╔██║███████║██╔████╔██║██████╔╝███████║\n",
            "        ██║╚██╔╝██║██╔══██║██║╚██╔╝██║██╔══██╗██╔══██║\n",
            "        ██║ ╚═╝ ██║██║  ██║██║ ╚═╝ ██║██████╔╝██║  ██║\n",
            "        ╚═╝     ╚═╝╚═╝  ╚═╝╚═╝     ╚═╝╚═════╝ ╚═╝  ╚═╝\n",
            "\n",
            "        mamba (1.1.0) supported by @QuantStack\n",
            "\n",
            "        GitHub:  https://github.com/mamba-org/mamba\n",
            "        Twitter: https://twitter.com/QuantStack\n",
            "\n",
            "█████████████████████████████████████████████████████████████\n",
            "\n",
            "\n",
            "Looking for: ['mgltools']\n",
            "\n",
            "conda-forge/linux-64                                        Using cache\n",
            "conda-forge/noarch                                          Using cache\n",
            "\u001b[?25l\u001b[2K\u001b[0G[+] 0.0s\n",
            "\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.1s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.2s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.3s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.4s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.5s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.6s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.7s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.8s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.9s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.0s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch    ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.1s\n",
            "bioconda/linux-64  ⣾  \n",
            "bioconda/noarch   100%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gbioconda/noarch                                   \n",
            "bioconda/linux-64                                 \n",
            "\u001b[?25h\n",
            "Pinned packages:\n",
            "  - python 3.9.*\n",
            "  - python 3.9.*\n",
            "  - python_abi 3.9.* *cp39*\n",
            "  - cudatoolkit 11.8.*\n",
            "\n",
            "\n",
            "Transaction\n",
            "\n",
            "  Prefix: /usr/local\n",
            "\n",
            "  Updating specs:\n",
            "\n",
            "   - mgltools\n",
            "   - ca-certificates\n",
            "   - certifi\n",
            "   - openssl\n",
            "\n",
            "\n",
            "  Package     Version  Build       Channel                Size\n",
            "────────────────────────────────────────────────────────────────\n",
            "  Install:\n",
            "────────────────────────────────────────────────────────────────\n",
            "\n",
            "  \u001b[32m+ mgltools\u001b[0m    1.5.7  h9ee0642_1  bioconda/linux-64     112MB\n",
            "\n",
            "  Summary:\n",
            "\n",
            "  Install: 1 packages\n",
            "\n",
            "  Total download: 112MB\n",
            "\n",
            "────────────────────────────────────────────────────────────────\n",
            "\n",
            "\n",
            "\u001b[?25l\u001b[2K\u001b[0G[+] 0.0s\n",
            "Downloading        0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.1s\n",
            "Downloading  (1)   0%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.2s\n",
            "Downloading  (1)   1%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.3s\n",
            "Downloading  (1)  16%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.4s\n",
            "Downloading  (1)  31%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.5s\n",
            "Downloading  (1)  43%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.6s\n",
            "Downloading  (1)  61%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.7s\n",
            "Downloading  (1)  84%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 0.8s\n",
            "Downloading  (1)  93%\n",
            "Extracting         0%\u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0Gmgltools                                           112.2MB @ 135.2MB/s  0.8s\n",
            "[+] 0.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 1.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 2.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 3.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 4.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 5.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 6.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 7.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 8.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 9.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.8s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 10.9s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.0s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.1s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.2s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.3s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.4s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.5s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.6s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.7s\n",
            "Downloading      100%\n",
            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.8s\n",
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            "Extracting   (1)  ⣾  \u001b[2K\u001b[1A\u001b[2K\u001b[1A\u001b[2K\u001b[0G[+] 11.9s\n",
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            "Downloading and Extracting Packages\n",
            "\n",
            "Preparing transaction: - \b\b\\ \b\b| \b\b/ \b\b- \b\bdone\n",
            "Verifying transaction: | \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\bdone\n",
            "Executing transaction: \\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\bdone\n",
            "\n",
            "Welcome to antechamber 22.0: molecular input file processor.\n",
            "\n",
            "Info: acdoctor mode is on: check and diagnose problems in the input file.\n",
            "Info: The atom type is set to gaff; the options available to the -at flag are\n",
            "      gaff, gaff2, amber, bcc, and sybyl.\n",
            "\n",
            "-- Check Format for mol2 File --\n",
            "   Status: pass\n",
            "-- Check Unusual Elements --\n",
            "   Status: pass\n",
            "-- Check Open Valences --\n",
            "   Status: pass\n",
            "-- Check Geometry --\n",
            "      for those bonded   \n",
            "      for those not bonded   \n",
            "   Status: pass\n",
            "-- Check Weird Bonds --\n",
            "   Status: pass\n",
            "-- Check Number of Units --\n",
            "   Status: pass\n",
            "acdoctor mode has completed checking the input file.\n",
            "\n",
            "\n",
            "WARNING! rec has 12  alternate location atoms!\n",
            "Use prepare_pdb_split_alt_confs.py to create pdb files containing a single conformation.\n",
            "\n",
            "adding gasteiger charges to peptide\n",
            "############################################################################\n",
            "# If you used Qvina-W in your work, please cite:                           #\n",
            "#                                                                          #\n",
            "# Nafisa M. Hassan, Amr A. Alhossary, Yuguang Mu, and Chee-Keong Kwoh,     #\n",
            "# Protein-Ligand Blind Docking Using QuickVina-W With Inter-Process        #\n",
            "# Spatio-Temporal Integration, Scientific Reports 7(1):2017,               #\n",
            "# doi:10.1038/s41598-017-15571-7                                           #\n",
            "#                                                                          #\n",
            "# You are also encouraged to cite:                                         #\n",
            "# QuickVina 2                                                              #\n",
            "# Amr Alhossary, Stephanus Daniel Handoko, Yuguang Mu, and Chee-Keong Kwoh,#\n",
            "# Fast, Accurate, and Reliable Molecular Docking with QuickVina 2,         #\n",
            "# Bioinformatics (2015), doi: 10.1093/bioinformatics/btv082                #\n",
            "#                                                                          #\n",
            "# Quick Vina 1:                                                            #\n",
            "# Stephanus Daniel Handoko, Xuchang Ouyang, Chinh Tran To Su, Chee Keong   #\n",
            "# Kwoh, Yew Soon Ong,                                                      #\n",
            "# QuickVina: Accelerating AutoDock Vina Using Gradient-Based Heuristics for#\n",
            "# Global Optimization,                                                     #\n",
            "# IEEE/ACM Transactions on Computational Biology and Bioinformatics,vol.9, #\n",
            "# no. 5, pp. 1266-1272, Sept.-Oct. 2012, doi: 10.1109/TCBB.2012.82         #\n",
            "#                                                                          #\n",
            "# and original AutoDock Vina paper:                                        #\n",
            "# O. Trott, A. J. Olson,                                                   #\n",
            "# AutoDock Vina: improving the speed and accuracy of docking with a        #\n",
            "# new scoring function, efficient optimization and multithreading,         #\n",
            "# Journal of Computational Chemistry 31 (2010) 455-461                     #\n",
            "# doi: 10.1002/jcc.21334                                                   #\n",
            "############################################################################\n",
            "\n",
            "WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)\n",
            "Reading input ... done.\n",
            "lazy initialization done\n",
            "Setting up the scoring function ... done.\n",
            "Analyzing the binding site ... done.\n",
            "Using random seed: -1815922564\n",
            "Performing search ... \n",
            "0%   10   20   30   40   50   60   70   80   90   100%\n",
            "|----|----|----|----|----|----|----|----|----|----|\n",
            "***************************************************\n",
            "done.\n",
            "Refining results ... \n",
            "searching finished in 42.470 seconds\n",
            "done.\n",
            "\n",
            "mode |   affinity | dist from best mode\n",
            "     | (kcal/mol) | rmsd l.b.| rmsd u.b.\n",
            "-----+------------+----------+----------\n",
            "   1         -7.0      0.000      0.000\n",
            "   2         -6.6      4.114      6.126\n",
            "   3         -6.5      4.638      8.142\n",
            "   4         -6.4     26.558     28.451\n",
            "   5         -6.3     15.137     17.415\n",
            "   6         -6.1      3.184      6.166\n",
            "   7         -6.1     22.245     24.103\n",
            "   8         -6.0      4.555      9.361\n",
            "   9         -6.0     27.060     29.678\n",
            "  10         -5.9     17.042     19.602\n",
            "  11         -5.9      5.074      9.993\n",
            "  12         -5.9     19.330     21.975\n",
            "  13         -5.8      6.227     11.006\n",
            "  14         -5.7     12.221     18.730\n",
            "  15         -5.7     27.951     30.240\n",
            "  16         -5.7     19.538     23.241\n",
            "  17         -5.6     16.567     19.224\n",
            "  18         -5.6     19.650     22.432\n",
            "  19         -5.6     17.686     22.328\n",
            "  20         -5.6     18.338     23.233\n",
            "Writing output ... done.\n"
          ]
        }
      ],
      "source": [
        "!mamba install -c bioconda mgltools --yes\n",
        "!antechamber -i dock.mol2 -fi mol2 -o ligand.mol2 -fo mol2\n",
        "!/usr/local/MGLToolsPckgs/AutoDockTools/Utilities24/prepare_ligand4.py -l ligand.mol2 -o ligand.pdbqt\n",
        "!/usr/local/MGLToolsPckgs/AutoDockTools/Utilities24/prepare_receptor4.py -r rec.pdb -o rec.pdbqt \n",
        "!./qvina-w --config conf --ligand ligand.pdbqt --out dock-out.pdbqt --log dock-out.txt"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "i_Xt4q-GeCaH"
      },
      "source": [
        "pdb viwer"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 7,
      "metadata": {
        "id": "87GqqAPdmajg"
      },
      "outputs": [],
      "source": [
        "import py3Dmol\n",
        "\n",
        "def drawit2(m,confId=-1):\n",
        "    mb = Chem.MolToMolBlock(m,confId=confId)\n",
        "    p = py3Dmol.view(width=400, height=400)\n",
        "    p.addModel(mb,'sdf')\n",
        "    p.setStyle({'stick':{}})\n",
        "    p.setBackgroundColor('0xeeeeee')\n",
        "    p.zoomTo()\n",
        "    return p\n",
        "\n",
        "def DrawComplex(protein,ligand):\n",
        "    complex_pl = Chem.MolToPDBBlock(Chem.CombineMols(protein,ligand))\n",
        "    #complex_mol=Chem.CombineMols(receptor,mols[-1])\n",
        "    view = py3Dmol.view(width=600,height=600)\n",
        "    view.addModel(complex_pl,'pdb')\n",
        "    #view.addModel(Chem.MolToMolBlock(mols[0]),'sdf')\n",
        "    chA = {'chain':['A','B']}\n",
        "    chB = {'resn':'UNL'}\n",
        "    view.setStyle(chA,{'cartoon': {'color':'green'}})\n",
        "    #view.setStyle(chA,{'lines': {}})\n",
        "    view.addStyle({'chain':'B','resi':[51,75,135]},{'stick':{'colorscheme':'skyblueCarbon'}}) ##reaction center\n",
        "    #view.addStyle({'chain':'A','resi':[136,138,139,148,150,153,154,157,183,211,214,200]},{'cartoon': {'color':'yellow'}}) ##allosteric site\n",
        "    view.addSurface(py3Dmol.VDW,{'opacity':0.8}, chB)\n",
        "    view.setStyle(chB,{'stick':{}})\n",
        "    view.zoomTo()\n",
        "    return view   \n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 8,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "7zVZBSvvnwzP",
        "outputId": "adb5f371-08d2-4437-e371-a2c43e38194d"
      },
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "-rw-r--r-- 1 root root 63091 Apr 23 13:00 dock-out.pdbqt\n"
          ]
        }
      ],
      "source": [
        "from rdkit import Chem\n",
        "! ls -l dock-out.pdbqt"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "ezScqAmKARpl"
      },
      "source": [
        "### Convert docked ligands from PDBQT to SDF"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 9,
      "metadata": {
        "id": "zpr38VB4n7nu"
      },
      "outputs": [],
      "source": [
        "!/usr/local/MGLToolsPckgs/AutoDockTools/Utilities24/pdbqt_to_pdb.py -f dock-out.pdbqt -o dock-out.pdb"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 10,
      "metadata": {
        "id": "1onDtfFdpCPS"
      },
      "outputs": [],
      "source": [
        "#!mols = [m for m in Chem.MolFromPDBFile('dock-out.pdb') if m is not None]\n",
        "lig = Chem.MolFromPDBFile('dock-out.pdb')"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 11,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 435
        },
        "id": "h0yTczOeplSB",
        "outputId": "0f9cea08-b573-4e50-ba28-655602f44ec8"
      },
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              "<py3Dmol.view at 0x7f34d3075520>"
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          "metadata": {},
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        }
      ],
      "source": [
        "#drawit2(mols[0])\n",
        "drawit2(lig)"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "yOBlDQKCE4wj"
      },
      "source": [
        "## Step 5: Visualize the docked Protein-Ligand Complex"
      ]
    },
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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 = 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\\nATOM      7  OD1 ASP A  50       9.140  -1.204  12.030  1.00 67.77           O  \\nATOM      8  OD2 ASP A  50       7.570  -0.351  10.729  1.00 69.97           O1-\\nATOM      9  N   LEU A  51       9.760  -4.189  12.730  1.00 60.07           N  \\nATOM     10  CA  LEU A  51      10.551  -4.934  13.712  1.00 57.24           C  \\nATOM     11  C   LEU A  51      10.592  -4.245  15.069  1.00 56.84           C  \\nATOM     12  O   LEU A  51      10.689  -3.020  15.157  1.00 57.09           O  \\nATOM     13  CB  LEU A  51      11.979  -5.179  13.205  1.00 55.78           C  \\nATOM     14  CG  LEU A  51      12.250  -6.074  11.987  1.00 54.47           C  \\nATOM     15  CD1 LEU A  51      13.717  -6.000  11.623  1.00 52.72           C  \\nATOM     16  CD2 LEU A  51      11.857  -7.523  12.233  1.00 53.53           C  \\nATOM     17  N   THR A  52      10.527  -5.061  16.117  1.00 55.68           N  \\nATOM     18  CA  THR A  52      10.525  -4.607  17.507  1.00 55.35           C  \\nATOM     19  C   THR A  52      11.729  -5.165  18.262  1.00 53.35           C  \\nATOM     20  O   THR A  52      12.413  -6.076  17.786  1.00 52.40           O  \\nATOM     21  CB  THR A  52       9.185  -4.964  18.195  1.00 56.95           C  \\nATOM     22  CG2 THR A  52       9.344  -5.211  19.697  1.00 57.60           C  \\nATOM     23  OG1 THR A  52       8.263  -3.881  18.000  1.00 59.52           O  \\nATOM     24  N   VAL A  53      11.995  -4.605  19.433  1.00 52.78           N  \\nATOM     25  CA  VAL A  53      13.184  -4.932  20.191  1.00 50.89           C  \\nATOM     26  C   VAL A  53      12.790  -5.088  21.663  1.00 51.45           C  \\nATOM     27  O   VAL A  53      12.137  -4.217  22.224  1.00 52.72           O  \\nATOM     28  CB  VAL A  53      14.252  -3.824  19.943  1.00 50.64           C  \\nATOM     29  CG1 VAL A  53      15.024  -3.484  21.172  1.00 51.07           C  \\nATOM     30  CG2 VAL A  53      15.176  -4.211  18.809  1.00 48.66           C  \\nATOM     31  N   GLU A  54      13.149  -6.211  22.281  1.00 50.29           N  \\nATOM     32  CA  GLU A  54      12.846  -6.399  23.696  1.00 50.84           C  \\nATOM     33  C   GLU A  54      14.024  -6.935  24.512  1.00 49.31           C  \\nATOM     34  O   GLU A  54      14.646  -7.934  24.159  1.00 47.75           O  \\nATOM     35  CB  GLU A  54      11.551  -7.200  23.896  1.00 51.87           C  \\nATOM     36  CG  GLU A  54      11.689  -8.703  23.982  1.00 53.50           C  \\nATOM     37  CD  GLU A  54      10.417  -9.381  24.495  1.00 58.29           C  \\nATOM     38  OE1 GLU A  54      10.519 -10.418  25.200  1.00 59.29           O  \\nATOM     39  OE2 GLU A  54       9.313  -8.875  24.194  1.00 60.50           O1-\\nATOM     40  N   LYS A  55      14.318  -6.231  25.596  1.00 49.81           N  \\nATOM     41  CA  LYS A  55      15.435  -6.521  26.496  1.00 49.61           C  \\nATOM     42  C   LYS A  55      15.433  -7.962  27.023  1.00 49.10           C  \\nATOM     43  O   LYS A  55      14.388  -8.498  27.398  1.00 49.80           O  \\nATOM     44  CB  LYS A  55      15.430  -5.512  27.656  1.00 51.67           C  \\nATOM     45  CG  LYS A  55      16.444  -5.782  28.764  1.00 53.15           C  \\nATOM     46  CD  LYS A  55      17.798  -5.138  28.513  1.00 52.59           C  \\nATOM     47  CE  LYS A  55      18.695  -5.400  29.717  1.00 54.63           C  \\nATOM     48  NZ  LYS A  55      19.546  -4.231  30.076  1.00 55.64           N1+\\nATOM     49  N   ALA A  56      16.608  -8.585  27.042  1.00 47.34           N  \\nATOM     50  CA  ALA A  56      16.692  -9.984  27.402  1.00 47.02           C  \\nATOM     51  C   ALA A  56      17.664 -10.247  28.531  1.00 47.52           C  \\nATOM     52  O   ALA A  56      17.369 -11.035  29.425  1.00 48.03           O  \\nATOM     53  CB  ALA A  56      17.063 -10.823  26.188  1.00 45.30           C  \\nATOM     54  N   ALA A  57      18.831  -9.614  28.472  1.00 47.40           N  \\nATOM     55  CA  ALA A  57      19.878  -9.857  29.450  1.00 48.38           C  \\nATOM     56  C   ALA A  57      20.936  -8.768  29.396  1.00 49.22           C  \\nATOM     57  O   ALA A  57      20.924  -7.918  28.499  1.00 48.59           O  \\nATOM     58  CB  ALA A  57      20.517 -11.220  29.217  1.00 47.05           C  \\nATOM     59  N   ASP A  58      21.845  -8.804  30.367  1.00 50.95           N  \\nATOM     60  CA  ASP A  58      22.977  -7.903  30.407  1.00 52.21           C  \\nATOM     61  C   ASP A  58      24.199  -8.608  29.832  1.00 51.46           C  \\nATOM     62  O   ASP A  58      24.271  -9.834  29.816  1.00 50.73           O  \\nATOM     63  CB  ASP A  58      23.244  -7.450  31.837  1.00 54.35           C  \\nATOM     64  CG  ASP A  58      22.032  -6.781  32.479  1.00 57.96           C  \\nATOM     65  OD1 ASP A  58      21.537  -5.747  31.958  1.00 60.34           O  \\nATOM     66  OD2 ASP A  58      21.585  -7.283  33.532  1.00 61.68           O1-\\nATOM     67  N   VAL A  59      25.159  -7.818  29.361  1.00 51.93           N  \\nATOM     68  CA  VAL A  59      26.402  -8.342  28.806  1.00 51.47           C  \\nATOM     69  C   VAL A  59      27.371  -8.648  29.947  1.00 52.93           C  \\nATOM     70  O   VAL A  59      28.218  -7.826  30.311  1.00 54.27           O  \\nATOM     71  CB  VAL A  59      27.017  -7.351  27.785  1.00 51.18           C  \\nATOM     72  CG1 VAL A  59      28.341  -7.871  27.245  1.00 51.14           C  \\nATOM     73  CG2 VAL A  59      26.045  -7.102  26.641  1.00 49.80           C  \\nATOM     74  N   THR A  60      27.234  -9.839  30.516  1.00 53.06           N  \\nATOM     75  CA  THR A  60      28.019 -10.220  31.680  1.00 54.65           C  \\nATOM     76  C   THR A  60      28.498 -11.657  31.566  1.00 53.64           C  \\nATOM     77  O   THR A  60      27.740 -12.545  31.181  1.00 52.52           O  \\nATOM     78  CB  THR A  60      27.218 -10.031  33.009  1.00 56.79           C  \\nATOM     79  CG2 THR A  60      27.313  -8.588  33.521  1.00 58.74           C  \\nATOM     80  OG1 THR A  60      25.836 -10.335  32.787  1.00 57.23           O  \\nATOM     81  N   TRP A  61      29.768 -11.866  31.896  1.00 54.07           N  \\nATOM     82  CA  TRP A  61      30.384 -13.182  31.957  1.00 53.78           C  \\nATOM     83  C   TRP A  61      29.875 -13.914  33.193  1.00 55.30           C  \\nATOM     84  O   TRP A  61      30.037 -13.379  34.289  1.00 57.23           O  \\nATOM     85  CB  TRP A  61      31.889 -12.959  32.077  1.00 54.41           C  \\nATOM     86  CG  TRP A  61      32.745 -14.175  32.125  1.00 53.97           C  \\nATOM     87  CD1 TRP A  61      33.064 -14.906  33.228  1.00 54.41           C  \\nATOM     88  CD2 TRP A  61      33.447 -14.777  31.026  1.00 52.46           C  \\nATOM     89  CE2 TRP A  61      34.159 -15.881  31.542  1.00 52.74           C  \\nATOM     90  CE3 TRP A  61      33.541 -14.492  29.656  1.00 50.42           C  \\nATOM     91  NE1 TRP A  61      33.909 -15.932  32.888  1.00 53.79           N  \\nATOM     92  CZ2 TRP A  61      34.951 -16.708  30.736  1.00 51.57           C  \\nATOM     93  CZ3 TRP A  61      34.332 -15.312  28.854  1.00 49.96           C  \\nATOM     94  CH2 TRP A  61      35.025 -16.408  29.399  1.00 50.68           C  \\nATOM     95  N   GLU A  62      29.235 -15.087  33.057  1.00 54.50           N  \\nATOM     96  CA AGLU A  62      28.880 -15.846  34.258  0.50 56.20           C  \\nATOM     97  C   GLU A  62      29.941 -16.877  34.625  1.00 56.78           C  \\nATOM     98  O   GLU A  62      30.438 -17.622  33.778  1.00 55.13           O  \\nATOM     99  CB AGLU A  62      27.436 -16.401  34.272  0.50 55.89           C  \\nATOM    100  CG AGLU A  62      26.891 -16.966  32.975  0.50 55.13           C  \\nATOM    101  CD AGLU A  62      25.357 -17.085  32.971  0.50 56.34           C  \\nATOM    102  OE1AGLU A  62      24.823 -18.046  32.362  0.50 55.24           O  \\nATOM    103  OE2AGLU A  62      24.687 -16.217  33.579  0.50 57.15           O1-\\nATOM    104  N   GLU A  63      30.289 -16.876  35.909  1.00 59.31           N  \\nATOM    105  CA  GLU A  63      31.418 -17.630  36.454  1.00 60.91           C  \\nATOM    106  C   GLU A  63      31.374 -19.158  36.309  1.00 60.10           C  \\nATOM    107  O   GLU A  63      32.360 -19.777  35.898  1.00 60.31           O  \\nATOM    108  CB  GLU A  63      31.642 -17.219  37.911  1.00 63.91           C  \\nATOM    109  CG  GLU A  63      31.901 -15.712  38.066  1.00 66.72           C  \\nATOM    110  CD  GLU A  63      32.033 -15.258  39.510  1.00 72.67           C  \\nATOM    111  OE1 GLU A  63      31.946 -16.109  40.431  1.00 75.89           O  \\nATOM    112  OE2 GLU A  63      32.226 -14.039  39.724  1.00 74.54           O1-\\nATOM    113  N   GLU A  64      30.250 -19.785  36.617  1.00 59.24           N  \\nATOM    114  CA  GLU A  64      30.241 -21.242  36.543  1.00 58.15           C  \\nATOM    115  C   GLU A  64      29.492 -21.754  35.306  1.00 55.35           C  \\nATOM    116  O   GLU A  64      28.672 -22.670  35.381  1.00 55.76           O  \\nATOM    117  CB  GLU A  64      29.769 -21.843  37.870  1.00 60.07           C  \\nATOM    118  CG  GLU A  64      30.695 -21.454  39.037  1.00 63.27           C  \\nATOM    119  CD  GLU A  64      30.317 -22.082  40.371  1.00 67.53           C  \\nATOM    120  OE1 GLU A  64      29.225 -22.680  40.463  1.00 68.43           O  \\nATOM    121  OE2 GLU A  64      31.113 -21.972  41.337  1.00 70.03           O1-\\nATOM    122  N   ALA A  65      29.807 -21.153  34.161  1.00 52.62           N  \\nATOM    123  CA  ALA A  65      29.123 -21.434  32.899  1.00 49.66           C  \\nATOM    124  C   ALA A  65      29.403 -22.834  32.377  1.00 48.84           C  \\nATOM    125  O   ALA A  65      30.526 -23.338  32.486  1.00 49.19           O  \\nATOM    126  CB  ALA A  65      29.513 -20.421  31.860  1.00 47.95           C  \\nATOM    127  N   GLU A  66      28.372 -23.454  31.810  1.00 47.36           N  \\nATOM    128  CA  GLU A  66      28.514 -24.743  31.156  1.00 46.55           C  \\nATOM    129  C   GLU A  66      29.504 -24.582  30.011  1.00 44.39           C  \\nATOM    130  O   GLU A  66      29.393 -23.625  29.226  1.00 44.16           O  \\nATOM    131  CB  GLU A  66      27.154 -25.238  30.647  1.00 46.56           C  \\nATOM    132  CG  GLU A  66      27.210 -26.553  29.845  1.00 49.84           C  \\nATOM    133  CD  GLU A  66      25.845 -27.017  29.308  1.00 55.31           C  \\nATOM    134  OE1 GLU A  66      24.824 -26.947  30.052  1.00 57.42           O  \\nATOM    135  OE2 GLU A  66      25.804 -27.484  28.138  1.00 56.67           O1-\\nATOM    136  N   GLN A  67      30.489 -25.480  29.941  1.00 43.09           N  \\nATOM    137  CA  GLN A  67      31.466 -25.485  28.855  1.00 40.79           C  \\nATOM    138  C   GLN A  67      31.056 -26.498  27.810  1.00 40.00           C  \\nATOM    139  O   GLN A  67      30.545 -27.575  28.132  1.00 40.30           O  \\nATOM    140  CB  GLN A  67      32.866 -25.830  29.353  1.00 41.75           C  \\nATOM    141  CG  GLN A  67      33.454 -24.857  30.328  1.00 41.11           C  \\nATOM    142  CD  GLN A  67      34.584 -25.466  31.109  1.00 42.72           C  \\nATOM    143  NE2 GLN A  67      35.329 -26.350  30.469  1.00 44.44           N  \\nATOM    144  OE1 GLN A  67      34.787 -25.155  32.281  1.00 43.79           O  \\nATOM    145  N   THR A  68      31.280 -26.155  26.550  1.00 38.87           N  \\nATOM    146  CA  THR A  68      30.811 -26.991  25.462  1.00 38.80           C  \\nATOM    147  C   THR A  68      31.415 -26.551  24.156  1.00 38.25           C  \\nATOM    148  O   THR A  68      31.896 -25.421  24.037  1.00 38.65           O  \\nATOM    149  CB  THR A  68      29.253 -26.949  25.351  1.00 38.12           C  \\nATOM    150  CG2 THR A  68      28.771 -25.547  25.124  1.00 37.40           C  \\nATOM    151  OG1 THR A  68      28.824 -27.777  24.270  1.00 38.65           O  \\nATOM    152  N   GLY A  69      31.385 -27.436  23.172  1.00 38.38           N  \\nATOM    153  CA  GLY A  69      31.864 -27.095  21.840  1.00 38.48           C  \\nATOM    154  C   GLY A  69      33.127 -27.845  21.494  1.00 39.34           C  \\nATOM    155  O   GLY A  69      33.523 -28.750  22.212  1.00 39.78           O  \\nATOM    156  N   VAL A  70      33.743 -27.453  20.379  1.00 40.00           N  \\nATOM    157  CA  VAL A  70      34.902 -28.129  19.793  1.00 41.41           C  \\nATOM    158  C   VAL A  70      35.755 -27.063  19.116  1.00 41.69           C  \\nATOM    159  O   VAL A  70      35.232 -26.060  18.660  1.00 40.80           O  \\nATOM    160  CB  VAL A  70      34.475 -29.190  18.706  1.00 42.10           C  \\nATOM    161  CG1 VAL A  70      35.675 -29.990  18.223  1.00 43.16           C  \\nATOM    162  CG2 VAL A  70      33.394 -30.156  19.221  1.00 41.89           C  \\nATOM    163  N   SER A  71      37.063 -27.290  19.048  1.00 43.57           N  \\nATOM    164  CA  SER A  71      37.996 -26.389  18.391  1.00 44.30           C  \\nATOM    165  C   SER A  71      38.427 -26.909  17.012  1.00 45.59           C  \\nATOM    166  O   SER A  71      39.373 -27.688  16.916  1.00 47.27           O  \\nATOM    167  CB  SER A  71      39.246 -26.201  19.258  1.00 45.37           C  \\nATOM    168  OG  SER A  71      38.950 -25.442  20.412  1.00 45.59           O  \\nATOM    169  N   HIS A  72      37.755 -26.451  15.955  1.00 45.24           N  \\nATOM    170  CA  HIS A  72      38.096 -26.812  14.570  1.00 46.53           C  \\nATOM    171  C   HIS A  72      39.124 -25.863  13.995  1.00 47.57           C  \\nATOM    172  O   HIS A  72      39.169 -24.698  14.356  1.00 47.83           O  \\nATOM    173  CB  HIS A  72      36.852 -26.770  13.672  1.00 45.24           C  \\nATOM    174  CG  HIS A  72      35.797 -27.759  14.051  1.00 44.98           C  \\nATOM    175  CD2 HIS A  72      34.613 -27.598  14.689  1.00 44.34           C  \\nATOM    176  ND1 HIS A  72      35.894 -29.101  13.758  1.00 45.74           N  \\nATOM    177  CE1 HIS A  72      34.817 -29.726  14.198  1.00 45.63           C  \\nATOM    178  NE2 HIS A  72      34.023 -28.837  14.768  1.00 45.21           N  \\nATOM    179  N   ASN A  73      39.944 -26.357  13.087  1.00 49.51           N  \\nATOM    180  CA  ASN A  73      40.875 -25.500  12.375  1.00 51.33           C  \\nATOM    181  C   ASN A  73      40.695 -25.682  10.882  1.00 51.59           C  \\nATOM    182  O   ASN A  73      41.141 -26.679  10.313  1.00 53.11           O  \\nATOM    183  CB  ASN A  73      42.314 -25.773  12.808  1.00 53.56           C  \\nATOM    184  CG  ASN A  73      42.727 -24.917  14.002  1.00 56.24           C  \\nATOM    185  ND2 ASN A  73      42.218 -25.248  15.196  1.00 55.92           N  \\nATOM    186  OD1 ASN A  73      43.482 -23.952  13.842  1.00 59.75           O  \\nATOM    187  N   LEU A  74      40.028 -24.720  10.255  1.00 49.90           N  \\nATOM    188  CA  LEU A  74      39.574 -24.902   8.888  1.00 49.89           C  \\nATOM    189  C   LEU A  74      40.011 -23.762   7.993  1.00 50.43           C  \\nATOM    190  O   LEU A  74      40.145 -22.632   8.446  1.00 49.93           O  \\nATOM    191  CB  LEU A  74      38.041 -25.040   8.862  1.00 48.42           C  \\nATOM    192  CG  LEU A  74      37.501 -26.299   9.560  1.00 47.34           C  \\nATOM    193  CD1 LEU A  74      36.102 -26.068  10.049  1.00 44.74           C  \\nATOM    194  CD2 LEU A  74      37.581 -27.537   8.667  1.00 46.68           C  \\nATOM    195  N   MET A  75      40.226 -24.070   6.721  1.00 51.67           N  \\nATOM    196  CA  MET A  75      40.525 -23.052   5.729  1.00 52.85           C  \\nATOM    197  C   MET A  75      39.245 -22.698   4.996  1.00 51.65           C  \\nATOM    198  O   MET A  75      38.527 -23.575   4.493  1.00 51.77           O  \\nATOM    199  CB  MET A  75      41.602 -23.531   4.748  1.00 55.39           C  \\nATOM    200  CG  MET A  75      42.820 -24.108   5.437  1.00 58.84           C  \\nATOM    201  SD  MET A  75      44.349 -23.939   4.504  1.00 67.93           S  \\nATOM    202  CE  MET A  75      44.614 -22.159   4.527  1.00 67.15           C  \\nATOM    203  N   ILE A  76      38.959 -21.407   4.944  1.00 50.64           N  \\nATOM    204  CA  ILE A  76      37.737 -20.927   4.326  1.00 49.73           C  \\nATOM    205  C   ILE A  76      38.007 -19.739   3.408  1.00 51.09           C  \\nATOM    206  O   ILE A  76      39.046 -19.071   3.516  1.00 52.21           O  \\nATOM    207  CB  ILE A  76      36.678 -20.524   5.391  1.00 47.80           C  \\nATOM    208  CG1 ILE A  76      37.214 -19.397   6.283  1.00 46.24           C  \\nATOM    209  CG2 ILE A  76      36.244 -21.754   6.218  1.00 46.00           C  \\nATOM    210  CD1 ILE A  76      36.155 -18.504   6.867  1.00 43.64           C  \\nATOM    211  N   THR A  77      37.082 -19.497   2.485  1.00 51.04           N  \\nATOM    212  CA  THR A  77      37.020 -18.214   1.804  1.00 51.35           C  \\nATOM    213  C   THR A  77      35.697 -17.567   2.187  1.00 49.02           C  \\nATOM    214  O   THR A  77      34.713 -18.265   2.450  1.00 47.56           O  \\nATOM    215  CB  THR A  77      37.162 -18.331   0.264  1.00 53.63           C  \\nATOM    216  CG2 THR A  77      38.556 -18.837  -0.125  1.00 55.87           C  \\nATOM    217  OG1 THR A  77      36.179 -19.237  -0.246  1.00 54.66           O  \\nATOM    218  N   VAL A  78      35.699 -16.239   2.270  1.00 48.30           N  \\nATOM    219  CA  VAL A  78      34.485 -15.471   2.492  1.00 47.02           C  \\nATOM    220  C   VAL A  78      34.257 -14.707   1.204  1.00 48.45           C  \\nATOM    221  O   VAL A  78      35.114 -13.941   0.794  1.00 49.60           O  \\nATOM    222  CB  VAL A  78      34.629 -14.468   3.665  1.00 45.79           C  \\nATOM    223  CG1 VAL A  78      33.282 -13.855   4.017  1.00 42.87           C  \\nATOM    224  CG2 VAL A  78      35.238 -15.142   4.889  1.00 45.01           C  \\nATOM    225  N   ASP A  79      33.135 -14.929   0.533  1.00 48.81           N  \\nATOM    226  CA  ASP A  79      32.859 -14.069  -0.604  1.00 50.42           C  \\nATOM    227  C   ASP A  79      32.063 -12.821  -0.242  1.00 48.91           C  \\nATOM    228  O   ASP A  79      31.597 -12.667   0.894  1.00 46.98           O  \\nATOM    229  CB  ASP A  79      32.360 -14.802  -1.867  1.00 52.70           C  \\nATOM    230  CG  ASP A  79      31.272 -15.782  -1.593  1.00 54.09           C  \\nATOM    231  OD1 ASP A  79      30.193 -15.342  -1.151  1.00 58.66           O  \\nATOM    232  OD2 ASP A  79      31.483 -16.988  -1.857  1.00 56.65           O1-\\nATOM    233  N   ASP A  80      31.954 -11.918  -1.214  1.00 49.52           N  \\nATOM    234  CA  ASP A  80      31.484 -10.566  -0.967  1.00 48.36           C  \\nATOM    235  C   ASP A  80      30.086 -10.529  -0.346  1.00 46.04           C  \\nATOM    236  O   ASP A  80      29.791  -9.619   0.424  1.00 44.73           O  \\nATOM    237  CB  ASP A  80      31.587  -9.719  -2.244  1.00 50.76           C  \\nATOM    238  CG  ASP A  80      33.041  -9.349  -2.594  1.00 53.72           C  \\nATOM    239  OD1 ASP A  80      33.916  -9.446  -1.700  1.00 53.30           O  \\nATOM    240  OD2 ASP A  80      33.310  -8.949  -3.756  1.00 56.16           O1-\\nATOM    241  N   ASP A  81      29.258 -11.537  -0.637  1.00 44.75           N  \\nATOM    242  CA  ASP A  81      27.887 -11.587  -0.102  1.00 43.24           C  \\nATOM    243  C   ASP A  81      27.809 -12.123   1.337  1.00 40.96           C  \\nATOM    244  O   ASP A  81      26.716 -12.256   1.911  1.00 39.36           O  \\nATOM    245  CB  ASP A  81      26.956 -12.377  -1.032  1.00 44.11           C  \\nATOM    246  CG  ASP A  81      27.244 -13.882  -1.042  1.00 45.84           C  \\nATOM    247  OD1 ASP A  81      28.051 -14.381  -0.220  1.00 46.23           O  \\nATOM    248  OD2 ASP A  81      26.644 -14.581  -1.888  1.00 49.63           O1-\\nATOM    249  N   GLY A  82      28.973 -12.440   1.898  1.00 39.98           N  \\nATOM    250  CA  GLY A  82      29.077 -12.891   3.283  1.00 38.88           C  \\nATOM    251  C   GLY A  82      29.100 -14.402   3.468  1.00 38.16           C  \\nATOM    252  O   GLY A  82      29.236 -14.890   4.584  1.00 37.63           O  \\nATOM    253  N   THR A  83      28.954 -15.144   2.379  1.00 38.94           N  \\nATOM    254  CA  THR A  83      28.969 -16.600   2.445  1.00 38.60           C  \\nATOM    255  C   THR A  83      30.371 -17.148   2.753  1.00 38.97           C  \\nATOM    256  O   THR A  83      31.358 -16.829   2.082  1.00 39.46           O  \\nATOM    257  CB  THR A  83      28.419 -17.229   1.146  1.00 40.03           C  \\nATOM    258  CG2 THR A  83      28.314 -18.753   1.266  1.00 39.20           C  \\nATOM    259  OG1 THR A  83      27.124 -16.682   0.860  1.00 39.81           O  \\nATOM    260  N   MET A  84      30.439 -17.959   3.797  1.00 38.50           N  \\nATOM    261  CA  MET A  84      31.655 -18.663   4.130  1.00 39.95           C  \\nATOM    262  C   MET A  84      31.608 -20.063   3.522  1.00 41.38           C  \\nATOM    263  O   MET A  84      30.561 -20.723   3.544  1.00 40.48           O  \\nATOM    264  CB  MET A  84      31.845 -18.685   5.643  1.00 38.69           C  \\nATOM    265  CG  MET A  84      31.909 -17.280   6.247  1.00 39.30           C  \\nATOM    266  SD  MET A  84      31.504 -17.183   8.002  1.00 41.47           S  \\nATOM    267  CE  MET A  84      33.050 -17.747   8.723  1.00 40.80           C  \\nATOM    268  N   ARG A  85      32.733 -20.481   2.940  1.00 43.64           N  \\nATOM    269  CA  ARG A  85      32.873 -21.799   2.301  1.00 46.73           C  \\nATOM    270  C   ARG A  85      34.177 -22.456   2.732  1.00 47.82           C  \\nATOM    271  O   ARG A  85      35.222 -21.820   2.704  1.00 48.25           O  \\nATOM    272  CB  ARG A  85      32.855 -21.667   0.769  1.00 48.85           C  \\nATOM    273  CG  ARG A  85      31.472 -21.818   0.148  1.00 51.19           C  \\nATOM    274  CD  ARG A  85      31.242 -20.936  -1.099  1.00 57.01           C  \\nATOM    275  NE  ARG A  85      29.814 -20.937  -1.470  1.00 59.55           N  \\nATOM    276  CZ  ARG A  85      29.194 -19.985  -2.170  1.00 61.04           C  \\nATOM    277  NH1 ARG A  85      29.854 -18.916  -2.603  1.00 62.58           N1+\\nATOM    278  NH2 ARG A  85      27.899 -20.099  -2.438  1.00 61.01           N  \\nATOM    279  N   ILE A  86      34.116 -23.722   3.130  1.00 49.07           N  \\nATOM    280  CA  ILE A  86      35.324 -24.455   3.502  1.00 51.21           C  \\nATOM    281  C   ILE A  86      36.139 -24.787   2.247  1.00 54.67           C  \\nATOM    282  O   ILE A  86      35.615 -25.379   1.297  1.00 55.58           O  \\nATOM    283  CB  ILE A  86      35.008 -25.758   4.293  1.00 50.57           C  \\nATOM    284  CG1 ILE A  86      34.305 -25.431   5.611  1.00 48.51           C  \\nATOM    285  CG2 ILE A  86      36.299 -26.570   4.546  1.00 51.41           C  \\nATOM    286  CD1 ILE A  86      33.899 -26.655   6.441  1.00 48.15           C  \\nATOM    287  N   LYS A  87      37.414 -24.398   2.248  1.00 57.33           N  \\nATOM    288  CA  LYS A  87      38.315 -24.695   1.123  1.00 61.66           C  \\nATOM    289  C   LYS A  87      38.439 -26.198   0.853  1.00 63.99           C  \\nATOM    290  O   LYS A  87      38.828 -26.983   1.736  1.00 63.66           O  \\nATOM    291  CB  LYS A  87      39.690 -24.044   1.314  1.00 62.54           C  \\nATOM    292  CG  LYS A  87      39.619 -22.527   1.524  1.00 62.86           C  \\nATOM    293  CD  LYS A  87      40.564 -21.759   0.610  1.00 66.96           C  \\nATOM    294  CE  LYS A  87      42.006 -21.769   1.092  1.00 68.91           C  \\nATOM    295  NZ  LYS A  87      42.735 -20.625   0.470  1.00 71.15           N1+\\nATOM    296  N   ASP A  88      38.106 -26.579  -0.384  1.00 67.18           N  \\nATOM    297  CA  ASP A  88      37.906 -27.987  -0.759  1.00 69.60           C  \\nATOM    298  C   ASP A  88      39.036 -28.560  -1.615  1.00 72.46           C  \\nATOM    299  O   ASP A  88      39.282 -29.771  -1.597  1.00 73.87           O  \\nATOM    300  CB  ASP A  88      36.561 -28.158  -1.484  1.00 70.09           C  \\nATOM    301  CG  ASP A  88      35.802 -29.406  -1.030  1.00 71.40           C  \\nATOM    302  OD1 ASP A  88      36.358 -30.531  -1.161  1.00 73.95           O  \\nATOM    303  OD2 ASP A  88      34.647 -29.254  -0.547  1.00 70.83           O1-\\nATOM    304  N   GLY B  -1      26.126 -13.758  -4.884  1.00 51.91           N  \\nATOM    305  CA  GLY B  -1      25.090 -12.791  -4.411  1.00 51.39           C  \\nATOM    306  C   GLY B  -1      25.574 -11.346  -4.408  1.00 51.39           C  \\nATOM    307  O   GLY B  -1      26.773 -11.073  -4.588  1.00 52.16           O  \\nATOM    308  N   GLY B   0      24.651 -10.409  -4.220  1.00 50.27           N  \\nATOM    309  CA  GLY B   0      25.045  -9.012  -4.082  1.00 49.93           C  \\nATOM    310  C   GLY B   0      25.803  -8.692  -2.793  1.00 48.43           C  \\nATOM    311  O   GLY B   0      25.634  -9.354  -1.758  1.00 47.65           O  \\nATOM    312  N   SER B   1      26.648  -7.673  -2.859  1.00 47.67           N  \\nATOM    313  CA  SER B   1      27.233  -7.101  -1.667  1.00 45.62           C  \\nATOM    314  C   SER B   1      26.907  -5.612  -1.569  1.00 45.28           C  \\nATOM    315  O   SER B   1      26.593  -4.961  -2.565  1.00 46.33           O  \\nATOM    316  CB  SER B   1      28.738  -7.296  -1.671  1.00 45.85           C  \\nATOM    317  OG  SER B   1      29.236  -7.088  -0.366  1.00 45.17           O  \\nATOM    318  N   GLY B   2      26.992  -5.077  -0.362  1.00 43.68           N  \\nATOM    319  CA  GLY B   2      26.845  -3.656  -0.149  1.00 43.52           C  \\nATOM    320  C   GLY B   2      27.507  -3.217   1.137  1.00 42.92           C  \\nATOM    321  O   GLY B   2      27.706  -4.018   2.056  1.00 41.69           O  \\nATOM    322  N   VAL B   3      27.859  -1.940   1.192  1.00 43.56           N  \\nATOM    323  CA  VAL B   3      28.331  -1.303   2.427  1.00 43.81           C  \\nATOM    324  C   VAL B   3      27.578   0.004   2.597  1.00 44.47           C  \\nATOM    325  O   VAL B   3      27.337   0.706   1.625  1.00 45.08           O  \\nATOM    326  CB  VAL B   3      29.872  -1.016   2.402  1.00 44.37           C  \\nATOM    327  CG1 VAL B   3      30.313  -0.287   3.660  1.00 44.26           C  \\nATOM    328  CG2 VAL B   3      30.645  -2.304   2.281  1.00 43.91           C  \\nATOM    329  N   LEU B   4      27.196   0.313   3.824  1.00 44.94           N  \\nATOM    330  CA  LEU B   4      26.593   1.599   4.139  1.00 47.54           C  \\nATOM    331  C   LEU B   4      27.374   2.234   5.277  1.00 49.53           C  \\nATOM    332  O   LEU B   4      27.809   1.537   6.184  1.00 49.20           O  \\nATOM    333  CB  LEU B   4      25.126   1.423   4.523  1.00 46.20           C  \\nATOM    334  CG  LEU B   4      24.372   2.659   5.006  1.00 46.45           C  \\nATOM    335  CD1 LEU B   4      23.722   3.410   3.838  1.00 45.66           C  \\nATOM    336  CD2 LEU B   4      23.339   2.252   6.040  1.00 43.29           C  \\nATOM    337  N   TRP B   5      27.581   3.544   5.202  1.00 53.21           N  \\nATOM    338  CA  TRP B   5      28.256   4.302   6.265  1.00 56.26           C  \\nATOM    339  C   TRP B   5      27.782   5.764   6.203  1.00 59.20           C  \\nATOM    340  O   TRP B   5      27.781   6.361   5.132  1.00 60.36           O  \\nATOM    341  CB  TRP B   5      29.786   4.080   6.244  1.00 56.31           C  \\nATOM    342  CG  TRP B   5      30.578   4.780   5.178  1.00 58.24           C  \\nATOM    343  CD1 TRP B   5      31.371   5.876   5.356  1.00 60.64           C  \\nATOM    344  CD2 TRP B   5      30.699   4.419   3.786  1.00 58.62           C  \\nATOM    345  CE2 TRP B   5      31.567   5.366   3.184  1.00 60.71           C  \\nATOM    346  CE3 TRP B   5      30.145   3.406   2.985  1.00 57.42           C  \\nATOM    347  NE1 TRP B   5      31.961   6.237   4.166  1.00 62.36           N  \\nATOM    348  CZ2 TRP B   5      31.900   5.332   1.814  1.00 61.10           C  \\nATOM    349  CZ3 TRP B   5      30.481   3.370   1.617  1.00 58.41           C  \\nATOM    350  CH2 TRP B   5      31.354   4.330   1.052  1.00 59.60           C  \\nATOM    351  N   ASP B   6      27.359   6.321   7.347  1.00 61.91           N  \\nATOM    352  CA  ASP B   6      26.200   7.261   7.373  1.00 64.68           C  \\nATOM    353  C   ASP B   6      26.327   8.527   8.209  1.00 67.84           C  \\nATOM    354  O   ASP B   6      27.355   9.204   8.133  1.00 69.55           O  \\nATOM    355  CB  ASP B   6      24.981   6.492   7.874  1.00 63.63           C  \\nATOM    356  CG  ASP B   6      23.690   7.000   7.318  1.00 64.07           C  \\nATOM    357  OD1 ASP B   6      23.297   6.534   6.227  1.00 63.78           O  \\nATOM    358  OD2 ASP B   6      23.048   7.824   8.001  1.00 64.39           O1-\\nATOM    359  N   VAL B   7      25.273   8.827   8.998  1.00 69.93           N  \\nATOM    360  CA  VAL B   7      25.077  10.106   9.753  1.00 73.27           C  \\nATOM    361  C   VAL B   7      24.025  10.057  10.910  1.00 74.30           C  \\nATOM    362  O   VAL B   7      22.841   9.754  10.672  1.00 73.63           O  \\nATOM    363  CB  VAL B   7      24.728  11.290   8.794  1.00 75.03           C  \\nATOM    364  CG1 VAL B   7      23.798  12.321   9.464  1.00 76.75           C  \\nATOM    365  CG2 VAL B   7      26.001  11.972   8.290  1.00 76.94           C  \\nATOM    366  N   PRO B   8      24.444  10.408  12.158  1.00 76.13           N  \\nATOM    367  CA  PRO B   8      23.582  10.289  13.366  1.00 76.64           C  \\nATOM    368  C   PRO B   8      22.343  11.208  13.388  1.00 78.37           C  \\nATOM    369  O   PRO B   8      22.383  12.328  12.873  1.00 80.11           O  \\nATOM    370  CB  PRO B   8      24.534  10.643  14.521  1.00 77.53           C  \\nATOM    371  CG  PRO B   8      25.558  11.560  13.894  1.00 79.18           C  \\nATOM    372  CD  PRO B   8      25.745  11.041  12.475  1.00 77.55           C  \\nATOM    373  N   SER B   9      21.269  10.724  14.011  1.00 78.19           N  \\nATOM    374  CA  SER B   9      19.949  11.377  13.999  1.00 79.54           C  \\nATOM    375  C   SER B   9      19.770  12.480  15.072  1.00 81.92           C  \\nATOM    376  O   SER B   9      20.574  12.560  16.009  1.00 82.37           O  \\nATOM    377  CB  SER B   9      18.863  10.301  14.115  1.00 78.25           C  \\nATOM    378  OG  SER B   9      19.383   9.128  14.714  1.00 75.79           O  \\nATOM    379  N   PRO B  10      18.714  13.328  14.944  1.00 83.55           N  \\nATOM    380  CA  PRO B  10      18.566  14.524  15.806  1.00 86.04           C  \\nATOM    381  C   PRO B  10      18.654  14.261  17.317  1.00 86.06           C  \\nATOM    382  O   PRO B  10      17.745  13.675  17.903  1.00 85.41           O  \\nATOM    383  CB  PRO B  10      17.176  15.066  15.429  1.00 87.39           C  \\nATOM    384  CG  PRO B  10      16.928  14.558  14.048  1.00 86.06           C  \\nATOM    385  CD  PRO B  10      17.583  13.200  14.000  1.00 83.49           C  \\nATOM    386  N   ALA B  16      15.370   8.006  20.253  1.00 72.12           N  \\nATOM    387  CA  ALA B  16      15.203   6.555  20.319  1.00 70.33           C  \\nATOM    388  C   ALA B  16      16.163   5.919  21.334  1.00 69.59           C  \\nATOM    389  O   ALA B  16      17.142   5.271  20.945  1.00 68.10           O  \\nATOM    390  CB  ALA B  16      15.386   5.943  18.935  1.00 68.48           C  \\nATOM    391  N   GLU B  17      15.876   6.100  22.628  1.00 70.72           N  \\nATOM    392  CA  GLU B  17      16.808   5.687  23.693  1.00 70.42           C  \\nATOM    393  C   GLU B  17      16.519   4.323  24.334  1.00 68.39           C  \\nATOM    394  O   GLU B  17      15.379   4.010  24.711  1.00 69.16           O  \\nATOM    395  CB  GLU B  17      16.985   6.784  24.764  1.00 73.14           C  \\nATOM    396  CG  GLU B  17      18.059   7.863  24.431  1.00 76.75           C  \\nATOM    397  CD  GLU B  17      19.509   7.319  24.386  1.00 79.31           C  \\nATOM    398  OE1 GLU B  17      19.926   6.767  23.332  1.00 78.39           O  \\nATOM    399  OE2 GLU B  17      20.239   7.469  25.401  1.00 81.44           O1-\\nATOM    400  N   LEU B  18      17.587   3.541  24.474  1.00 65.34           N  \\nATOM    401  CA  LEU B  18      17.522   2.149  24.873  1.00 62.62           C  \\nATOM    402  C   LEU B  18      18.599   1.893  25.929  1.00 61.75           C  \\nATOM    403  O   LEU B  18      19.710   2.405  25.806  1.00 61.58           O  \\nATOM    404  CB  LEU B  18      17.809   1.302  23.637  1.00 60.49           C  \\nATOM    405  CG  LEU B  18      16.805   0.273  23.124  1.00 59.76           C  \\nATOM    406  CD1 LEU B  18      15.429   0.872  23.073  1.00 60.94           C  \\nATOM    407  CD2 LEU B  18      17.226  -0.226  21.741  1.00 56.52           C  \\nATOM    408  N   GLU B  19      18.286   1.109  26.959  1.00 60.68           N  \\nATOM    409  CA  GLU B  19      19.312   0.704  27.930  1.00 59.79           C  \\nATOM    410  C   GLU B  19      20.276  -0.294  27.299  1.00 56.57           C  \\nATOM    411  O   GLU B  19      19.862  -1.168  26.545  1.00 54.72           O  \\nATOM    412  CB  GLU B  19      18.708   0.049  29.170  1.00 60.80           C  \\nATOM    413  CG  GLU B  19      17.498   0.716  29.754  1.00 64.46           C  \\nATOM    414  CD  GLU B  19      16.763  -0.196  30.730  1.00 67.57           C  \\nATOM    415  OE1 GLU B  19      17.201  -1.357  30.921  1.00 67.18           O  \\nATOM    416  OE2 GLU B  19      15.744   0.249  31.306  1.00 70.62           O1-\\nATOM    417  N   GLU B  20      21.558  -0.164  27.627  1.00 55.50           N  \\nATOM    418  CA  GLU B  20      22.577  -1.098  27.159  1.00 53.17           C  \\nATOM    419  C   GLU B  20      22.248  -2.539  27.556  1.00 51.33           C  \\nATOM    420  O   GLU B  20      21.637  -2.774  28.596  1.00 52.27           O  \\nATOM    421  CB  GLU B  20      23.951  -0.707  27.699  1.00 54.24           C  \\nATOM    422  CG  GLU B  20      24.520   0.582  27.097  1.00 56.99           C  \\nATOM    423  CD  GLU B  20      25.972   0.846  27.506  1.00 60.44           C  \\nATOM    424  OE1 GLU B  20      26.501   0.108  28.372  1.00 61.63           O  \\nATOM    425  OE2 GLU B  20      26.585   1.792  26.959  1.00 61.26           O1-\\nATOM    426  N   GLY B  21      22.647  -3.498  26.724  1.00 48.34           N  \\nATOM    427  CA  GLY B  21      22.346  -4.901  26.976  1.00 45.97           C  \\nATOM    428  C   GLY B  21      21.969  -5.686  25.734  1.00 43.52           C  \\nATOM    429  O   GLY B  21      22.084  -5.184  24.616  1.00 43.17           O  \\nATOM    430  N   VAL B  22      21.513  -6.920  25.941  1.00 41.93           N  \\nATOM    431  CA  VAL B  22      21.198  -7.850  24.853  1.00 39.42           C  \\nATOM    432  C   VAL B  22      19.691  -7.910  24.627  1.00 38.91           C  \\nATOM    433  O   VAL B  22      18.939  -8.102  25.577  1.00 39.75           O  \\nATOM    434  CB  VAL B  22      21.692  -9.280  25.174  1.00 38.82           C  \\nATOM    435  CG1 VAL B  22      21.596 -10.155  23.927  1.00 36.70           C  \\nATOM    436  CG2 VAL B  22      23.130  -9.255  25.692  1.00 38.47           C  \\nATOM    437  N   TYR B  23      19.269  -7.776  23.371  1.00 37.27           N  \\nATOM    438  CA  TYR B  23      17.852  -7.693  23.018  1.00 37.42           C  \\nATOM    439  C   TYR B  23      17.403  -8.761  22.026  1.00 36.46           C  \\nATOM    440  O   TYR B  23      18.148  -9.159  21.139  1.00 34.80           O  \\nATOM    441  CB  TYR B  23      17.537  -6.331  22.409  1.00 37.86           C  \\nATOM    442  CG  TYR B  23      17.568  -5.174  23.381  1.00 39.27           C  \\nATOM    443  CD1 TYR B  23      18.777  -4.673  23.872  1.00 38.60           C  \\nATOM    444  CD2 TYR B  23      16.389  -4.564  23.778  1.00 39.55           C  \\nATOM    445  CE1 TYR B  23      18.798  -3.613  24.768  1.00 41.68           C  \\nATOM    446  CE2 TYR B  23      16.387  -3.510  24.660  1.00 42.70           C  \\nATOM    447  CZ  TYR B  23      17.592  -3.031  25.158  1.00 43.72           C  \\nATOM    448  OH  TYR B  23      17.570  -1.970  26.030  1.00 44.44           O  \\nATOM    449  N   ARG B  24      16.167  -9.218  22.191  1.00 37.25           N  \\nATOM    450  CA  ARG B  24      15.500 -10.016  21.178  1.00 37.05           C  \\nATOM    451  C   ARG B  24      14.986  -9.081  20.092  1.00 37.73           C  \\nATOM    452  O   ARG B  24      14.426  -8.029  20.384  1.00 38.54           O  \\nATOM    453  CB  ARG B  24      14.329 -10.788  21.779  1.00 37.90           C  \\nATOM    454  CG  ARG B  24      14.726 -11.883  22.738  1.00 37.06           C  \\nATOM    455  CD  ARG B  24      13.515 -12.492  23.409  1.00 36.70           C  \\nATOM    456  NE  ARG B  24      13.905 -13.031  24.702  1.00 38.19           N  \\nATOM    457  CZ  ARG B  24      14.310 -14.280  24.926  1.00 39.13           C  \\nATOM    458  NH1 ARG B  24      14.363 -15.163  23.929  1.00 39.05           N1+\\nATOM    459  NH2 ARG B  24      14.670 -14.646  26.156  1.00 38.09           N  \\nATOM    460  N   ILE B  25      15.183  -9.460  18.838  1.00 37.31           N  \\nATOM    461  CA  ILE B  25      14.602  -8.718  17.742  1.00 38.19           C  \\nATOM    462  C   ILE B  25      13.383  -9.505  17.294  1.00 40.11           C  \\nATOM    463  O   ILE B  25      13.494 -10.684  16.932  1.00 39.86           O  \\nATOM    464  CB  ILE B  25      15.607  -8.518  16.588  1.00 36.91           C  \\nATOM    465  CG1 ILE B  25      16.913  -7.930  17.118  1.00 35.15           C  \\nATOM    466  CG2 ILE B  25      15.009  -7.611  15.515  1.00 37.34           C  \\nATOM    467  CD1 ILE B  25      17.994  -7.711  16.059  1.00 34.06           C  \\nATOM    468  N   LYS B  26      12.214  -8.867  17.343  1.00 42.57           N  \\nATOM    469  CA  LYS B  26      10.956  -9.552  17.060  1.00 44.86           C  \\nATOM    470  C   LYS B  26      10.220  -8.950  15.874  1.00 46.43           C  \\nATOM    471  O   LYS B  26      10.372  -7.764  15.563  1.00 46.84           O  \\nATOM    472  CB  LYS B  26      10.031  -9.532  18.286  1.00 46.41           C  \\nATOM    473  CG  LYS B  26      10.628 -10.143  19.536  1.00 47.28           C  \\nATOM    474  CD  LYS B  26       9.623 -11.081  20.185  1.00 49.95           C  \\nATOM    475  CE  LYS B  26      10.125 -11.545  21.539  1.00 51.20           C  \\nATOM    476  NZ  LYS B  26       8.987 -12.024  22.370  1.00 54.99           N1+\\nATOM    477  N   GLN B  27       9.403  -9.762  15.215  1.00 48.10           N  \\nATOM    478  CA  GLN B  27       8.613  -9.245  14.109  1.00 50.54           C  \\nATOM    479  C   GLN B  27       7.118  -9.557  14.205  1.00 52.86           C  \\nATOM    480  O   GLN B  27       6.728 -10.608  14.701  1.00 53.23           O  \\nATOM    481  CB  GLN B  27       9.213  -9.669  12.769  1.00 49.65           C  \\nATOM    482  CG  GLN B  27       8.856 -11.041  12.280  1.00 50.72           C  \\nATOM    483  CD  GLN B  27       8.802 -11.062  10.769  1.00 52.70           C  \\nATOM    484  NE2 GLN B  27       9.033 -12.223  10.180  1.00 51.76           N  \\nATOM    485  OE1 GLN B  27       8.567 -10.027  10.138  1.00 54.36           O  \\nATOM    486  N   GLN B  28       6.299  -8.632  13.717  1.00 55.36           N  \\nATOM    487  CA  GLN B  28       4.847  -8.693  13.901  1.00 58.66           C  \\nATOM    488  C   GLN B  28       4.083  -9.772  13.113  1.00 59.76           C  \\nATOM    489  O   GLN B  28       4.633 -10.466  12.265  1.00 58.90           O  \\nATOM    490  CB  GLN B  28       4.208  -7.312  13.689  1.00 60.28           C  \\nATOM    491  CG  GLN B  28       3.578  -6.707  14.958  1.00 63.14           C  \\nATOM    492  CD  GLN B  28       2.261  -7.382  15.367  1.00 66.84           C  \\nATOM    493  NE2 GLN B  28       1.174  -6.608  15.362  1.00 69.68           N  \\nATOM    494  OE1 GLN B  28       2.225  -8.577  15.694  1.00 67.02           O  \\nATOM    495  N   GLY B  29       2.794  -9.884  13.421  1.00 62.59           N  \\nATOM    496  CA  GLY B  29       1.969 -10.995  12.978  1.00 63.92           C  \\nATOM    497  C   GLY B  29       1.451 -10.965  11.556  1.00 64.73           C  \\nATOM    498  O   GLY B  29       2.200 -10.693  10.619  1.00 63.80           O  \\nATOM    499  N   ILE B  30       0.170 -11.290  11.391  1.00 66.73           N  \\nATOM    500  CA  ILE B  30      -0.675 -11.714  12.512  1.00 68.17           C  \\nATOM    501  C   ILE B  30      -0.178 -13.041  13.101  1.00 66.80           C  \\nATOM    502  O   ILE B  30       0.850 -13.577  12.664  1.00 65.47           O  \\nATOM    503  CB  ILE B  30      -2.164 -11.811  12.119  1.00 70.82           C  \\nATOM    504  CG1 ILE B  30      -2.527 -10.757  11.060  1.00 72.38           C  \\nATOM    505  CG2 ILE B  30      -3.054 -11.663  13.362  1.00 72.91           C  \\nATOM    506  CD1 ILE B  30      -2.338 -11.201   9.607  1.00 72.33           C  \\nATOM    507  N   PHE B  31      -0.903 -13.551  14.095  1.00 67.33           N  \\nATOM    508  CA  PHE B  31      -0.464 -14.676  14.938  1.00 65.80           C  \\nATOM    509  C   PHE B  31       0.377 -14.176  16.121  1.00 64.07           C  \\nATOM    510  O   PHE B  31       0.437 -14.823  17.169  1.00 64.54           O  \\nATOM    511  CB  PHE B  31       0.291 -15.767  14.145  1.00 64.37           C  \\nATOM    512  CG  PHE B  31      -0.441 -16.272  12.914  1.00 64.75           C  \\nATOM    513  CD1 PHE B  31      -1.778 -16.664  12.976  1.00 66.68           C  \\nATOM    514  CD2 PHE B  31       0.226 -16.391  11.700  1.00 62.36           C  \\nATOM    515  CE1 PHE B  31      -2.447 -17.145  11.831  1.00 67.74           C  \\nATOM    516  CE2 PHE B  31      -0.433 -16.870  10.564  1.00 63.54           C  \\nATOM    517  CZ  PHE B  31      -1.773 -17.251  10.630  1.00 65.10           C  \\nATOM    518  N   GLY B  32       1.017 -13.020  15.949  1.00 62.15           N  \\nATOM    519  CA  GLY B  32       1.769 -12.386  17.028  1.00 60.07           C  \\nATOM    520  C   GLY B  32       3.192 -12.057  16.635  1.00 56.91           C  \\nATOM    521  O   GLY B  32       3.502 -11.904  15.451  1.00 56.11           O  \\nATOM    522  N   LYS B  33       4.060 -11.948  17.636  1.00 54.94           N  \\nATOM    523  CA  LYS B  33       5.459 -11.600  17.400  1.00 52.06           C  \\nATOM    524  C   LYS B  33       6.342 -12.841  17.418  1.00 50.07           C  \\nATOM    525  O   LYS B  33       6.060 -13.798  18.140  1.00 50.43           O  \\nATOM    526  CB  LYS B  33       5.952 -10.563  18.415  1.00 52.21           C  \\nATOM    527  CG  LYS B  33       5.190  -9.254  18.371  1.00 53.64           C  \\nATOM    528  CD  LYS B  33       5.622  -8.300  19.468  1.00 55.34           C  \\nATOM    529  CE  LYS B  33       4.600  -7.158  19.634  1.00 59.12           C  \\nATOM    530  NZ  LYS B  33       3.345  -7.547  20.387  1.00 60.88           N1+\\nATOM    531  N   THR B  34       7.407 -12.817  16.615  1.00 47.59           N  \\nATOM    532  CA  THR B  34       8.311 -13.948  16.487  1.00 45.32           C  \\nATOM    533  C   THR B  34       9.741 -13.445  16.521  1.00 42.93           C  \\nATOM    534  O   THR B  34      10.085 -12.481  15.847  1.00 42.64           O  \\nATOM    535  CB  THR B  34       8.063 -14.724  15.165  1.00 45.32           C  \\nATOM    536  CG2 THR B  34       9.188 -15.697  14.882  1.00 44.98           C  \\nATOM    537  OG1 THR B  34       6.867 -15.491  15.283  1.00 47.74           O  \\nATOM    538  N   GLN B  35      10.582 -14.103  17.303  1.00 40.84           N  \\nATOM    539  CA  GLN B  35      11.969 -13.721  17.351  1.00 38.07           C  \\nATOM    540  C   GLN B  35      12.650 -14.078  16.037  1.00 37.08           C  \\nATOM    541  O   GLN B  35      12.572 -15.226  15.588  1.00 37.06           O  \\nATOM    542  CB  GLN B  35      12.660 -14.423  18.495  1.00 37.57           C  \\nATOM    543  CG  GLN B  35      14.100 -14.010  18.654  1.00 35.21           C  \\nATOM    544  CD  GLN B  35      14.688 -14.546  19.906  1.00 34.52           C  \\nATOM    545  NE2 GLN B  35      15.972 -14.879  19.856  1.00 31.69           N  \\nATOM    546  OE1 GLN B  35      13.998 -14.661  20.931  1.00 36.85           O  \\nATOM    547  N   VAL B  36      13.299 -13.090  15.423  1.00 35.42           N  \\nATOM    548  CA  VAL B  36      14.040 -13.309  14.194  1.00 34.05           C  \\nATOM    549  C   VAL B  36      15.524 -13.181  14.484  1.00 32.96           C  \\nATOM    550  O   VAL B  36      16.355 -13.539  13.662  1.00 32.08           O  \\nATOM    551  CB  VAL B  36      13.625 -12.342  13.032  1.00 34.46           C  \\nATOM    552  CG1 VAL B  36      12.162 -12.522  12.677  1.00 36.16           C  \\nATOM    553  CG2 VAL B  36      13.887 -10.882  13.389  1.00 34.05           C  \\nATOM    554  N   GLY B  37      15.869 -12.694  15.664  1.00 32.73           N  \\nATOM    555  CA  GLY B  37      17.288 -12.565  15.977  1.00 32.48           C  \\nATOM    556  C   GLY B  37      17.537 -11.787  17.240  1.00 32.62           C  \\nATOM    557  O   GLY B  37      16.610 -11.510  18.012  1.00 32.63           O  \\nATOM    558  N   VAL B  38      18.800 -11.418  17.404  1.00 32.24           N  \\nATOM    559  CA  VAL B  38      19.330 -10.866  18.623  1.00 33.79           C  \\nATOM    560  C   VAL B  38      20.245  -9.675  18.310  1.00 34.76           C  \\nATOM    561  O   VAL B  38      20.910  -9.655  17.264  1.00 34.75           O  \\nATOM    562  CB  VAL B  38      20.134 -11.965  19.397  1.00 33.62           C  \\nATOM    563  CG1 VAL B  38      20.710 -11.429  20.687  1.00 33.36           C  \\nATOM    564  CG2 VAL B  38      19.238 -13.182  19.706  1.00 33.99           C  \\nATOM    565  N   GLY B  39      20.296  -8.697  19.221  1.00 36.08           N  \\nATOM    566  CA  GLY B  39      21.225  -7.584  19.089  1.00 37.08           C  \\nATOM    567  C   GLY B  39      21.746  -7.027  20.396  1.00 38.28           C  \\nATOM    568  O   GLY B  39      21.236  -7.344  21.456  1.00 38.86           O  \\nATOM    569  N   VAL B  40      22.763  -6.174  20.308  1.00 39.01           N  \\nATOM    570  CA  VAL B  40      23.379  -5.582  21.486  1.00 40.45           C  \\nATOM    571  C   VAL B  40      23.345  -4.065  21.426  1.00 41.71           C  \\nATOM    572  O   VAL B  40      23.765  -3.464  20.439  1.00 41.71           O  \\nATOM    573  CB  VAL B  40      24.839  -6.057  21.647  1.00 40.06           C  \\nATOM    574  CG1 VAL B  40      25.517  -5.357  22.823  1.00 41.07           C  \\nATOM    575  CG2 VAL B  40      24.874  -7.554  21.844  1.00 40.08           C  \\nATOM    576  N   GLN B  41      22.840  -3.454  22.490  1.00 43.34           N  \\nATOM    577  CA  GLN B  41      22.858  -2.010  22.628  1.00 45.01           C  \\nATOM    578  C   GLN B  41      24.047  -1.659  23.489  1.00 46.26           C  \\nATOM    579  O   GLN B  41      24.165  -2.146  24.609  1.00 46.73           O  \\nATOM    580  CB  GLN B  41      21.560  -1.497  23.256  1.00 46.19           C  \\nATOM    581  CG  GLN B  41      21.546   0.013  23.584  1.00 48.45           C  \\nATOM    582  CD  GLN B  41      21.151   0.904  22.393  1.00 49.96           C  \\nATOM    583  NE2 GLN B  41      21.085   2.201  22.641  1.00 52.02           N  \\nATOM    584  OE1 GLN B  41      20.898   0.429  21.276  1.00 49.43           O  \\nATOM    585  N   LYS B  42      24.940  -0.840  22.938  1.00 47.59           N  \\nATOM    586  CA  LYS B  42      26.124  -0.347  23.634  1.00 49.06           C  \\nATOM    587  C   LYS B  42      26.366   1.087  23.214  1.00 50.41           C  \\nATOM    588  O   LYS B  42      26.540   1.374  22.027  1.00 49.84           O  \\nATOM    589  CB  LYS B  42      27.353  -1.191  23.300  1.00 48.46           C  \\nATOM    590  CG  LYS B  42      28.550  -0.969  24.248  1.00 51.97           C  \\nATOM    591  CD  LYS B  42      29.881  -1.171  23.510  1.00 55.93           C  \\nATOM    592  CE  LYS B  42      31.132  -1.029  24.410  1.00 59.41           C  \\nATOM    593  NZ  LYS B  42      32.395  -1.269  23.606  1.00 58.71           N1+\\nATOM    594  N   GLU B  43      26.348   1.990  24.192  1.00 52.63           N  \\nATOM    595  CA  GLU B  43      26.655   3.399  23.958  1.00 54.45           C  \\nATOM    596  C   GLU B  43      25.734   4.048  22.930  1.00 53.97           C  \\nATOM    597  O   GLU B  43      26.206   4.746  22.035  1.00 54.70           O  \\nATOM    598  CB  GLU B  43      28.116   3.555  23.522  1.00 54.97           C  \\nATOM    599  CG  GLU B  43      29.133   3.161  24.588  1.00 58.59           C  \\nATOM    600  CD  GLU B  43      30.551   3.010  24.041  1.00 62.17           C  \\nATOM    601  OE1 GLU B  43      31.490   2.880  24.859  1.00 64.16           O  \\nATOM    602  OE2 GLU B  43      30.731   3.019  22.801  1.00 62.49           O1-\\nATOM    603  N   GLY B  44      24.427   3.815  23.052  1.00 53.27           N  \\nATOM    604  CA  GLY B  44      23.439   4.443  22.167  1.00 53.00           C  \\nATOM    605  C   GLY B  44      23.247   3.791  20.802  1.00 51.30           C  \\nATOM    606  O   GLY B  44      22.352   4.168  20.054  1.00 52.08           O  \\nATOM    607  N   VAL B  45      24.080   2.806  20.476  1.00 49.40           N  \\nATOM    608  CA  VAL B  45      24.042   2.143  19.170  1.00 46.90           C  \\nATOM    609  C   VAL B  45      23.572   0.681  19.305  1.00 44.96           C  \\nATOM    610  O   VAL B  45      24.016  -0.055  20.196  1.00 44.29           O  \\nATOM    611  CB  VAL B  45      25.437   2.247  18.476  1.00 47.10           C  \\nATOM    612  CG1 VAL B  45      25.497   1.442  17.173  1.00 44.70           C  \\nATOM    613  CG2 VAL B  45      25.816   3.738  18.246  1.00 48.42           C  \\nATOM    614  N   PHE B  46      22.656   0.280  18.427  1.00 43.20           N  \\nATOM    615  CA  PHE B  46      22.148  -1.076  18.416  1.00 41.24           C  \\nATOM    616  C   PHE B  46      22.851  -1.899  17.339  1.00 39.55           C  \\nATOM    617  O   PHE B  46      22.769  -1.566  16.161  1.00 39.58           O  \\nATOM    618  CB  PHE B  46      20.639  -1.068  18.201  1.00 41.40           C  \\nATOM    619  CG  PHE B  46      19.996  -2.393  18.423  1.00 40.18           C  \\nATOM    620  CD1 PHE B  46      19.756  -2.859  19.714  1.00 40.14           C  \\nATOM    621  CD2 PHE B  46      19.638  -3.193  17.340  1.00 39.45           C  \\nATOM    622  CE1 PHE B  46      19.151  -4.094  19.927  1.00 39.36           C  \\nATOM    623  CE2 PHE B  46      19.034  -4.435  17.540  1.00 38.32           C  \\nATOM    624  CZ  PHE B  46      18.793  -4.888  18.833  1.00 38.42           C  \\nATOM    625  N   HIS B  47      23.537  -2.966  17.762  1.00 37.69           N  \\nATOM    626  CA  HIS B  47      24.379  -3.788  16.886  1.00 35.90           C  \\nATOM    627  C   HIS B  47      23.744  -5.135  16.625  1.00 34.19           C  \\nATOM    628  O   HIS B  47      23.417  -5.850  17.550  1.00 34.37           O  \\nATOM    629  CB  HIS B  47      25.759  -4.054  17.516  1.00 35.89           C  \\nATOM    630  CG  HIS B  47      26.461  -2.823  17.995  1.00 37.25           C  \\nATOM    631  CD2 HIS B  47      27.539  -2.164  17.505  1.00 37.08           C  \\nATOM    632  ND1 HIS B  47      26.067  -2.133  19.123  1.00 38.04           N  \\nATOM    633  CE1 HIS B  47      26.858  -1.087  19.292  1.00 39.44           C  \\nATOM    634  NE2 HIS B  47      27.761  -1.086  18.326  1.00 38.94           N  \\nATOM    635  N   THR B  48      23.596  -5.501  15.367  1.00 33.03           N  \\nATOM    636  CA  THR B  48      23.101  -6.823  15.058  1.00 32.18           C  \\nATOM    637  C   THR B  48      23.725  -7.350  13.772  1.00 31.97           C  \\nATOM    638  O   THR B  48      24.716  -6.788  13.264  1.00 32.62           O  \\nATOM    639  CB  THR B  48      21.517  -6.916  15.109  1.00 32.71           C  \\nATOM    640  CG2 THR B  48      20.829  -5.945  14.135  1.00 32.11           C  \\nATOM    641  OG1 THR B  48      21.104  -8.260  14.820  1.00 32.87           O  \\nATOM    642  N   MET B  49      23.200  -8.452  13.260  1.00 31.62           N  \\nATOM    643  CA  MET B  49      23.757  -9.020  12.036  1.00 31.28           C  \\nATOM    644  C   MET B  49      22.927  -8.617  10.825  1.00 30.99           C  \\nATOM    645  O   MET B  49      21.697  -8.603  10.876  1.00 31.07           O  \\nATOM    646  CB  MET B  49      23.882 -10.538  12.148  1.00 31.49           C  \\nATOM    647  CG  MET B  49      24.835 -11.004  13.261  1.00 32.43           C  \\nATOM    648  SD  MET B  49      25.236 -12.728  13.018  1.00 35.86           S  \\nATOM    649  CE  MET B  49      26.784 -12.621  12.116  1.00 32.00           C  \\nATOM    650  N   TRP B  50      23.601  -8.302   9.726  1.00 31.12           N  \\nATOM    651  CA  TRP B  50      22.907  -7.861   8.517  1.00 31.34           C  \\nATOM    652  C   TRP B  50      21.714  -8.759   8.140  1.00 31.82           C  \\nATOM    653  O   TRP B  50      20.623  -8.256   7.861  1.00 32.41           O  \\nATOM    654  CB  TRP B  50      23.877  -7.728   7.340  1.00 31.25           C  \\nATOM    655  CG  TRP B  50      23.174  -7.736   6.038  1.00 30.95           C  \\nATOM    656  CD1 TRP B  50      23.090  -8.772   5.162  1.00 28.32           C  \\nATOM    657  CD2 TRP B  50      22.437  -6.653   5.459  1.00 32.10           C  \\nATOM    658  CE2 TRP B  50      21.904  -7.123   4.239  1.00 31.93           C  \\nATOM    659  CE3 TRP B  50      22.143  -5.347   5.875  1.00 34.34           C  \\nATOM    660  NE1 TRP B  50      22.321  -8.419   4.083  1.00 31.24           N  \\nATOM    661  CZ2 TRP B  50      21.114  -6.334   3.415  1.00 33.13           C  \\nATOM    662  CZ3 TRP B  50      21.348  -4.557   5.064  1.00 36.10           C  \\nATOM    663  CH2 TRP B  50      20.841  -5.056   3.838  1.00 36.34           C  \\nATOM    664  N   HIS B  51      21.909 -10.078   8.145  1.00 31.74           N  \\nATOM    665  CA  HIS B  51      20.906 -10.975   7.577  1.00 32.12           C  \\nATOM    666  C   HIS B  51      19.658 -11.086   8.453  1.00 32.82           C  \\nATOM    667  O   HIS B  51      18.642 -11.603   8.010  1.00 33.87           O  \\nATOM    668  CB  HIS B  51      21.499 -12.355   7.238  1.00 31.31           C  \\nATOM    669  CG  HIS B  51      21.656 -13.255   8.427  1.00 31.50           C  \\nATOM    670  CD2 HIS B  51      20.748 -13.997   9.109  1.00 29.26           C  \\nATOM    671  ND1 HIS B  51      22.866 -13.443   9.066  1.00 28.53           N  \\nATOM    672  CE1 HIS B  51      22.695 -14.263  10.091  1.00 30.60           C  \\nATOM    673  NE2 HIS B  51      21.420 -14.616  10.138  1.00 31.63           N  \\nATOM    674  N   VAL B  52      19.730 -10.587   9.687  1.00 33.56           N  \\nATOM    675  CA  VAL B  52      18.587 -10.611  10.607  1.00 34.03           C  \\nATOM    676  C   VAL B  52      17.534  -9.547  10.241  1.00 36.00           C  \\nATOM    677  O   VAL B  52      16.332  -9.830  10.242  1.00 37.05           O  \\nATOM    678  CB  VAL B  52      19.048 -10.493  12.096  1.00 33.75           C  \\nATOM    679  CG1 VAL B  52      17.909 -10.106  13.016  1.00 33.91           C  \\nATOM    680  CG2 VAL B  52      19.673 -11.811  12.570  1.00 32.18           C  \\nATOM    681  N   THR B  53      17.983  -8.343   9.896  1.00 36.82           N  \\nATOM    682  CA  THR B  53      17.074  -7.218   9.656  1.00 38.28           C  \\nATOM    683  C   THR B  53      17.062  -6.765   8.195  1.00 39.08           C  \\nATOM    684  O   THR B  53      16.067  -6.206   7.722  1.00 39.39           O  \\nATOM    685  CB  THR B  53      17.453  -5.990  10.520  1.00 38.57           C  \\nATOM    686  CG2 THR B  53      17.605  -6.378  11.996  1.00 37.24           C  \\nATOM    687  OG1 THR B  53      18.678  -5.425  10.024  1.00 38.96           O  \\nATOM    688  N   ARG B  54      18.177  -7.002   7.499  1.00 38.91           N  \\nATOM    689  CA  ARG B  54      18.403  -6.493   6.138  1.00 40.08           C  \\nATOM    690  C   ARG B  54      18.153  -4.978   6.015  1.00 41.25           C  \\nATOM    691  O   ARG B  54      17.742  -4.481   4.964  1.00 41.91           O  \\nATOM    692  CB  ARG B  54      17.629  -7.309   5.079  1.00 40.30           C  \\nATOM    693  CG  ARG B  54      17.973  -8.791   5.094  1.00 41.24           C  \\nATOM    694  CD  ARG B  54      17.638  -9.573   3.811  1.00 44.49           C  \\nATOM    695  NE  ARG B  54      18.237 -10.916   3.875  1.00 44.90           N  \\nATOM    696  CZ  ARG B  54      17.678 -11.974   4.471  1.00 46.74           C  \\nATOM    697  NH1 ARG B  54      16.481 -11.897   5.050  1.00 46.53           N1+\\nATOM    698  NH2 ARG B  54      18.319 -13.130   4.490  1.00 47.93           N  \\nATOM    699  N   GLY B  55      18.433  -4.255   7.099  1.00 41.70           N  \\nATOM    700  CA  GLY B  55      18.343  -2.800   7.112  1.00 42.76           C  \\nATOM    701  C   GLY B  55      16.975  -2.253   7.468  1.00 43.97           C  \\nATOM    702  O   GLY B  55      16.780  -1.049   7.471  1.00 45.25           O  \\nATOM    703  N   ALA B  56      16.027  -3.134   7.767  1.00 44.10           N  \\nATOM    704  CA  ALA B  56      14.663  -2.721   8.077  1.00 45.66           C  \\nATOM    705  C   ALA B  56      14.643  -1.832   9.312  1.00 46.66           C  \\nATOM    706  O   ALA B  56      15.527  -1.919  10.166  1.00 46.32           O  \\nATOM    707  CB  ALA B  56      13.768  -3.935   8.270  1.00 45.09           C  \\nATOM    708  N   VAL B  57      13.638  -0.972   9.399  1.00 48.33           N  \\nATOM    709  CA  VAL B  57      13.536  -0.036  10.501  1.00 49.89           C  \\nATOM    710  C   VAL B  57      13.178  -0.789  11.774  1.00 50.30           C  \\nATOM    711  O   VAL B  57      12.316  -1.666  11.763  1.00 50.41           O  \\nATOM    712  CB  VAL B  57      12.495   1.068  10.207  1.00 51.50           C  \\nATOM    713  CG1 VAL B  57      12.371   2.021  11.376  1.00 52.19           C  \\nATOM    714  CG2 VAL B  57      12.881   1.838   8.947  1.00 51.91           C  \\nATOM    715  N   LEU B  58      13.874  -0.472  12.857  1.00 51.07           N  \\nATOM    716  CA  LEU B  58      13.515  -0.997  14.160  1.00 52.62           C  \\nATOM    717  C   LEU B  58      12.623  -0.003  14.892  1.00 55.88           C  \\nATOM    718  O   LEU B  58      12.608   1.197  14.590  1.00 57.22           O  \\nATOM    719  CB  LEU B  58      14.764  -1.301  14.994  1.00 51.67           C  \\nATOM    720  CG  LEU B  58      15.827  -2.222  14.389  1.00 49.60           C  \\nATOM    721  CD1 LEU B  58      16.988  -2.334  15.339  1.00 49.29           C  \\nATOM    722  CD2 LEU B  58      15.291  -3.593  14.044  1.00 47.72           C  \\nATOM    723  N   THR B  59      11.870  -0.500  15.862  1.00 57.98           N  \\nATOM    724  CA  THR B  59      10.907   0.340  16.536  1.00 61.08           C  \\nATOM    725  C   THR B  59      10.904   0.056  18.038  1.00 62.59           C  \\nATOM    726  O   THR B  59      10.822  -1.101  18.472  1.00 61.66           O  \\nATOM    727  CB  THR B  59       9.517   0.215  15.864  1.00 61.86           C  \\nATOM    728  CG2 THR B  59       8.529  -0.623  16.683  1.00 62.79           C  \\nATOM    729  OG1 THR B  59       8.984   1.522  15.648  1.00 64.67           O  \\nATOM    730  N   HIS B  60      11.050   1.115  18.831  1.00 65.23           N  \\nATOM    731  CA  HIS B  60      10.940   0.966  20.277  1.00 67.39           C  \\nATOM    732  C   HIS B  60      10.016   2.002  20.865  1.00 70.53           C  \\nATOM    733  O   HIS B  60      10.140   3.206  20.589  1.00 71.58           O  \\nATOM    734  CB  HIS B  60      12.296   0.976  20.977  1.00 66.68           C  \\nATOM    735  CG  HIS B  60      12.222   0.558  22.412  1.00 67.90           C  \\nATOM    736  CD2 HIS B  60      11.998  -0.652  22.976  1.00 67.82           C  \\nATOM    737  ND1 HIS B  60      12.367   1.447  23.457  1.00 70.36           N  \\nATOM    738  CE1 HIS B  60      12.250   0.797  24.603  1.00 70.72           C  \\nATOM    739  NE2 HIS B  60      12.028  -0.478  24.339  1.00 69.02           N  \\nATOM    740  N   ASN B  61       9.103   1.507  21.695  1.00 72.56           N  \\nATOM    741  CA  ASN B  61       7.932   2.257  22.141  1.00 75.94           C  \\nATOM    742  C   ASN B  61       6.966   2.489  20.958  1.00 76.77           C  \\nATOM    743  O   ASN B  61       6.288   1.536  20.560  1.00 76.81           O  \\nATOM    744  CB  ASN B  61       8.310   3.520  22.939  1.00 77.83           C  \\nATOM    745  CG  ASN B  61       9.222   3.212  24.125  1.00 78.73           C  \\nATOM    746  ND2 ASN B  61      10.327   3.946  24.232  1.00 79.76           N  \\nATOM    747  OD1 ASN B  61       8.936   2.319  24.931  1.00 79.68           O  \\nATOM    748  N   GLY B  62       6.924   3.668  20.331  1.00 77.75           N  \\nATOM    749  CA  GLY B  62       7.881   4.763  20.472  1.00 77.68           C  \\nATOM    750  C   GLY B  62       8.135   5.294  19.076  1.00 76.84           C  \\nATOM    751  O   GLY B  62       7.188   5.576  18.335  1.00 77.81           O  \\nATOM    752  N   LYS B  63       9.401   5.431  18.698  1.00 74.85           N  \\nATOM    753  CA  LYS B  63       9.694   5.878  17.342  1.00 73.90           C  \\nATOM    754  C   LYS B  63      10.782   5.068  16.616  1.00 70.94           C  \\nATOM    755  O   LYS B  63      11.277   4.054  17.115  1.00 69.46           O  \\nATOM    756  CB  LYS B  63       9.919   7.404  17.265  1.00 75.86           C  \\nATOM    757  CG  LYS B  63       8.605   8.200  17.093  1.00 78.80           C  \\nATOM    758  CD  LYS B  63       8.749   9.480  16.251  1.00 80.20           C  \\nATOM    759  CE  LYS B  63       8.746  10.745  17.108  1.00 82.63           C  \\nATOM    760  NZ  LYS B  63      10.085  11.054  17.685  1.00 82.21           N1+\\nATOM    761  N   ARG B  64      11.118   5.535  15.420  1.00 69.90           N  \\nATOM    762  CA  ARG B  64      12.005   4.839  14.511  1.00 67.06           C  \\nATOM    763  C   ARG B  64      13.460   4.806  14.990  1.00 65.15           C  \\nATOM    764  O   ARG B  64      13.932   5.701  15.697  1.00 66.16           O  \\nATOM    765  CB  ARG B  64      11.900   5.446  13.107  1.00 67.63           C  \\nATOM    766  CG  ARG B  64      10.536   5.252  12.451  1.00 69.25           C  \\nATOM    767  CD  ARG B  64      10.464   5.952  11.102  1.00 72.12           C  \\nATOM    768  NE  ARG B  64       9.228   5.632  10.380  1.00 74.72           N  \\nATOM    769  CZ  ARG B  64       8.169   6.439  10.277  1.00 77.57           C  \\nATOM    770  NH1 ARG B  64       7.097   6.042   9.596  1.00 78.83           N1+\\nATOM    771  NH2 ARG B  64       8.169   7.641  10.850  1.00 79.37           N  \\nATOM    772  N   LEU B  65      14.134   3.725  14.622  1.00 61.90           N  \\nATOM    773  CA  LEU B  65      15.556   3.548  14.814  1.00 59.50           C  \\nATOM    774  C   LEU B  65      16.014   3.012  13.473  1.00 57.05           C  \\nATOM    775  O   LEU B  65      15.494   2.008  12.979  1.00 55.53           O  \\nATOM    776  CB  LEU B  65      15.815   2.555  15.942  1.00 59.08           C  \\nATOM    777  CG  LEU B  65      17.213   2.348  16.535  1.00 59.18           C  \\nATOM    778  CD1 LEU B  65      18.040   3.638  16.612  1.00 60.78           C  \\nATOM    779  CD2 LEU B  65      17.072   1.693  17.918  1.00 59.40           C  \\nATOM    780  N   GLU B  66      16.962   3.714  12.869  1.00 55.73           N  \\nATOM    781  CA  GLU B  66      17.267   3.520  11.468  1.00 53.89           C  \\nATOM    782  C   GLU B  66      18.736   3.137  11.301  1.00 51.28           C  \\nATOM    783  O   GLU B  66      19.567   3.515  12.125  1.00 51.79           O  \\nATOM    784  CB  GLU B  66      16.916   4.796  10.698  1.00 55.55           C  \\nATOM    785  CG  GLU B  66      15.903   4.572   9.595  1.00 57.67           C  \\nATOM    786  CD  GLU B  66      15.153   5.830   9.220  1.00 62.32           C  \\nATOM    787  OE1 GLU B  66      15.807   6.842   8.890  1.00 64.87           O  \\nATOM    788  OE2 GLU B  66      13.901   5.811   9.245  1.00 64.42           O1-\\nATOM    789  N   PRO B  67      19.064   2.370  10.249  1.00 48.68           N  \\nATOM    790  CA  PRO B  67      20.450   1.903  10.141  1.00 46.52           C  \\nATOM    791  C   PRO B  67      21.421   3.021   9.791  1.00 46.15           C  \\nATOM    792  O   PRO B  67      21.087   3.911   9.027  1.00 47.12           O  \\nATOM    793  CB  PRO B  67      20.393   0.851   9.014  1.00 45.28           C  \\nATOM    794  CG  PRO B  67      19.193   1.226   8.200  1.00 46.88           C  \\nATOM    795  CD  PRO B  67      18.205   1.850   9.165  1.00 48.15           C  \\nATOM    796  N   ASN B  68      22.620   2.961  10.353  1.00 44.82           N  \\nATOM    797  CA  ASN B  68      23.641   3.958  10.090  1.00 44.87           C  \\nATOM    798  C   ASN B  68      24.882   3.369   9.432  1.00 43.24           C  \\nATOM    799  O   ASN B  68      25.597   4.059   8.700  1.00 44.17           O  \\nATOM    800  CB  ASN B  68      24.028   4.688  11.380  1.00 45.67           C  \\nATOM    801  CG  ASN B  68      22.972   5.676  11.827  1.00 48.39           C  \\nATOM    802  ND2 ASN B  68      21.794   5.177  12.185  1.00 49.62           N  \\nATOM    803  OD1 ASN B  68      23.209   6.882  11.842  1.00 51.87           O  \\nATOM    804  N   TRP B  69      25.152   2.105   9.711  1.00 40.43           N  \\nATOM    805  CA  TRP B  69      26.278   1.420   9.096  1.00 39.32           C  \\nATOM    806  C   TRP B  69      25.937  -0.058   8.846  1.00 37.34           C  \\nATOM    807  O   TRP B  69      25.331  -0.701   9.678  1.00 37.27           O  \\nATOM    808  CB  TRP B  69      27.552   1.567   9.954  1.00 38.87           C  \\nATOM    809  CG  TRP B  69      28.723   0.791   9.406  1.00 37.89           C  \\nATOM    810  CD1 TRP B  69      29.652   1.232   8.503  1.00 37.89           C  \\nATOM    811  CD2 TRP B  69      29.082  -0.565   9.718  1.00 36.30           C  \\nATOM    812  CE2 TRP B  69      30.242  -0.874   8.968  1.00 36.16           C  \\nATOM    813  CE3 TRP B  69      28.542  -1.545  10.566  1.00 35.63           C  \\nATOM    814  NE1 TRP B  69      30.564   0.237   8.231  1.00 36.78           N  \\nATOM    815  CZ2 TRP B  69      30.866  -2.124   9.032  1.00 36.00           C  \\nATOM    816  CZ3 TRP B  69      29.163  -2.788  10.635  1.00 33.87           C  \\nATOM    817  CH2 TRP B  69      30.316  -3.066   9.872  1.00 36.15           C  \\nATOM    818  N   ALA B  70      26.324  -0.593   7.699  1.00 36.56           N  \\nATOM    819  CA  ALA B  70      26.067  -1.998   7.416  1.00 34.88           C  \\nATOM    820  C   ALA B  70      27.124  -2.507   6.474  1.00 34.56           C  \\nATOM    821  O   ALA B  70      27.625  -1.750   5.649  1.00 35.38           O  \\nATOM    822  CB  ALA B  70      24.674  -2.191   6.806  1.00 34.94           C  \\nATOM    823  N   SER B  71      27.465  -3.785   6.613  1.00 33.31           N  \\nATOM    824  CA  SER B  71      28.344  -4.470   5.680  1.00 33.12           C  \\nATOM    825  C   SER B  71      27.889  -5.895   5.423  1.00 32.01           C  \\nATOM    826  O   SER B  71      27.892  -6.727   6.327  1.00 31.21           O  \\nATOM    827  CB  SER B  71      29.778  -4.469   6.200  1.00 33.26           C  \\nATOM    828  OG  SER B  71      30.526  -5.459   5.529  1.00 34.68           O  \\nATOM    829  N   VAL B  72      27.520  -6.180   4.182  1.00 32.76           N  \\nATOM    830  CA  VAL B  72      27.094  -7.537   3.794  1.00 32.89           C  \\nATOM    831  C   VAL B  72      28.184  -8.612   3.988  1.00 33.45           C  \\nATOM    832  O   VAL B  72      27.908  -9.667   4.552  1.00 32.98           O  \\nATOM    833  CB  VAL B  72      26.506  -7.585   2.354  1.00 33.27           C  \\nATOM    834  CG1 VAL B  72      26.036  -8.999   2.013  1.00 32.26           C  \\nATOM    835  CG2 VAL B  72      25.323  -6.636   2.250  1.00 32.63           C  \\nATOM    836  N   LYS B  73      29.412  -8.337   3.551  1.00 34.95           N  \\nATOM    837  CA  LYS B  73      30.508  -9.298   3.677  1.00 35.90           C  \\nATOM    838  C   LYS B  73      30.737  -9.672   5.146  1.00 35.74           C  \\nATOM    839  O   LYS B  73      30.887 -10.852   5.488  1.00 35.55           O  \\nATOM    840  CB  LYS B  73      31.776  -8.723   3.044  1.00 37.35           C  \\nATOM    841  CG  LYS B  73      32.919  -9.710   2.851  1.00 39.76           C  \\nATOM    842  CD  LYS B  73      34.208  -8.972   2.493  1.00 43.96           C  \\nATOM    843  CE  LYS B  73      35.436  -9.837   2.763  1.00 46.82           C  \\nATOM    844  NZ  LYS B  73      35.701 -10.737   1.610  1.00 50.26           N1+\\nATOM    845  N   LYS B  74      30.733  -8.656   6.006  1.00 36.18           N  \\nATOM    846  CA  LYS B  74      30.868  -8.809   7.445  1.00 35.83           C  \\nATOM    847  C   LYS B  74      29.629  -9.450   8.039  1.00 35.06           C  \\nATOM    848  O   LYS B  74      29.710 -10.084   9.103  1.00 35.19           O  \\nATOM    849  CB  LYS B  74      31.011  -7.424   8.081  1.00 36.95           C  \\nATOM    850  CG  LYS B  74      32.398  -7.010   8.571  1.00 39.92           C  \\nATOM    851  CD  LYS B  74      33.514  -7.387   7.630  1.00 43.33           C  \\nATOM    852  CE  LYS B  74      34.824  -6.769   8.110  1.00 47.05           C  \\nATOM    853  NZ  LYS B  74      34.942  -5.335   7.639  1.00 48.80           N1+\\nATOM    854  N   ASP B  75      28.479  -9.238   7.385  1.00 34.13           N  \\nATOM    855  CA  ASP B  75      27.171  -9.636   7.913  1.00 33.45           C  \\nATOM    856  C   ASP B  75      26.912  -8.959   9.241  1.00 33.01           C  \\nATOM    857  O   ASP B  75      26.552  -9.616  10.222  1.00 33.42           O  \\nATOM    858  CB  ASP B  75      27.045 -11.159   8.071  1.00 33.14           C  \\nATOM    859  CG  ASP B  75      25.595 -11.615   8.218  1.00 34.08           C  \\nATOM    860  OD1 ASP B  75      24.665 -10.821   7.902  1.00 35.91           O  \\nATOM    861  OD2 ASP B  75      25.379 -12.775   8.654  1.00 33.16           O1-\\nATOM    862  N   LEU B  76      27.112  -7.645   9.263  1.00 32.75           N  \\nATOM    863  CA  LEU B  76      26.908  -6.824  10.450  1.00 31.98           C  \\nATOM    864  C   LEU B  76      26.164  -5.532  10.089  1.00 32.41           C  \\nATOM    865  O   LEU B  76      26.273  -5.034   8.963  1.00 31.96           O  \\nATOM    866  CB  LEU B  76      28.247  -6.498  11.121  1.00 32.30           C  \\nATOM    867  CG  LEU B  76      29.133  -7.659  11.620  1.00 32.61           C  \\nATOM    868  CD1 LEU B  76      30.523  -7.171  12.035  1.00 32.25           C  \\nATOM    869  CD2 LEU B  76      28.465  -8.365  12.779  1.00 31.56           C  \\nATOM    870  N   ILE B  77      25.390  -5.015  11.044  1.00 31.69           N  \\nATOM    871  CA  ILE B  77      24.691  -3.742  10.869  1.00 31.93           C  \\nATOM    872  C   ILE B  77      24.585  -2.999  12.216  1.00 32.77           C  \\nATOM    873  O   ILE B  77      24.549  -3.625  13.282  1.00 31.89           O  \\nATOM    874  CB  ILE B  77      23.298  -3.974  10.212  1.00 31.74           C  \\nATOM    875  CG1 ILE B  77      22.609  -2.644   9.861  1.00 31.32           C  \\nATOM    876  CG2 ILE B  77      22.440  -4.902  11.068  1.00 29.39           C  \\nATOM    877  CD1 ILE B  77      21.362  -2.809   8.997  1.00 29.83           C  \\nATOM    878  N   SER B  78      24.580  -1.669  12.179  1.00 34.13           N  \\nATOM    879  CA  SER B  78      24.422  -0.897  13.410  1.00 35.24           C  \\nATOM    880  C   SER B  78      23.385   0.200  13.256  1.00 36.41           C  \\nATOM    881  O   SER B  78      23.327   0.886  12.231  1.00 37.01           O  \\nATOM    882  CB  SER B  78      25.771  -0.361  13.909  1.00 35.92           C  \\nATOM    883  OG  SER B  78      26.304   0.618  13.036  1.00 37.67           O  \\nATOM    884  N   TYR B  79      22.556   0.351  14.278  1.00 37.10           N  \\nATOM    885  CA  TYR B  79      21.480   1.341  14.253  1.00 38.63           C  \\nATOM    886  C   TYR B  79      21.782   2.469  15.226  1.00 40.58           C  \\nATOM    887  O   TYR B  79      22.123   2.215  16.381  1.00 40.89           O  \\nATOM    888  CB  TYR B  79      20.150   0.692  14.627  1.00 37.91           C  \\nATOM    889  CG  TYR B  79      19.564  -0.230  13.590  1.00 36.17           C  \\nATOM    890  CD1 TYR B  79      20.089  -1.511  13.370  1.00 34.82           C  \\nATOM    891  CD2 TYR B  79      18.460   0.159  12.853  1.00 36.78           C  \\nATOM    892  CE1 TYR B  79      19.535  -2.364  12.414  1.00 34.01           C  \\nATOM    893  CE2 TYR B  79      17.905  -0.667  11.899  1.00 35.97           C  \\nATOM    894  CZ  TYR B  79      18.432  -1.924  11.685  1.00 35.94           C  \\nATOM    895  OH  TYR B  79      17.845  -2.732  10.741  1.00 34.90           O  \\nATOM    896  N   GLY B  80      21.684   3.711  14.749  1.00 42.59           N  \\nATOM    897  CA  GLY B  80      21.827   4.901  15.606  1.00 44.91           C  \\nATOM    898  C   GLY B  80      23.207   5.537  15.641  1.00 46.01           C  \\nATOM    899  O   GLY B  80      23.397   6.613  16.214  1.00 47.93           O  \\nATOM    900  N   GLY B  81      24.175   4.869  15.033  1.00 45.20           N  \\nATOM    901  CA  GLY B  81      25.548   5.353  14.992  1.00 46.11           C  \\nATOM    902  C   GLY B  81      26.407   4.307  14.322  1.00 45.24           C  \\nATOM    903  O   GLY B  81      25.896   3.278  13.854  1.00 43.79           O  \\nATOM    904  N   GLY B  82      27.707   4.571  14.266  1.00 46.11           N  \\nATOM    905  CA  GLY B  82      28.658   3.611  13.735  1.00 46.17           C  \\nATOM    906  C   GLY B  82      28.946   2.535  14.772  1.00 46.05           C  \\nATOM    907  O   GLY B  82      28.526   2.641  15.923  1.00 46.63           O  \\nATOM    908  N   TRP B  83      29.673   1.508  14.355  1.00 45.55           N  \\nATOM    909  CA  TRP B  83      30.007   0.365  15.194  1.00 45.32           C  \\nATOM    910  C   TRP B  83      30.802   0.770  16.436  1.00 47.04           C  \\nATOM    911  O   TRP B  83      31.790   1.495  16.329  1.00 48.54           O  \\nATOM    912  CB  TRP B  83      30.815  -0.628  14.363  1.00 44.20           C  \\nATOM    913  CG  TRP B  83      30.827  -2.004  14.900  1.00 42.35           C  \\nATOM    914  CD1 TRP B  83      31.841  -2.606  15.586  1.00 41.04           C  \\nATOM    915  CD2 TRP B  83      29.781  -2.974  14.789  1.00 40.73           C  \\nATOM    916  CE2 TRP B  83      30.230  -4.145  15.436  1.00 40.20           C  \\nATOM    917  CE3 TRP B  83      28.507  -2.966  14.210  1.00 40.79           C  \\nATOM    918  NE1 TRP B  83      31.492  -3.895  15.907  1.00 40.20           N  \\nATOM    919  CZ2 TRP B  83      29.446  -5.301  15.525  1.00 39.70           C  \\nATOM    920  CZ3 TRP B  83      27.730  -4.112  14.298  1.00 40.35           C  \\nATOM    921  CH2 TRP B  83      28.206  -5.266  14.952  1.00 39.17           C  \\nATOM    922  N   ARG B  84      30.367   0.294  17.603  1.00 47.66           N  \\nATOM    923  CA  ARG B  84      30.975   0.665  18.894  1.00 49.84           C  \\nATOM    924  C   ARG B  84      31.600  -0.500  19.663  1.00 49.46           C  \\nATOM    925  O   ARG B  84      32.173  -0.298  20.734  1.00 51.22           O  \\nATOM    926  CB  ARG B  84      29.956   1.373  19.796  1.00 50.48           C  \\nATOM    927  CG  ARG B  84      29.341   2.632  19.193  1.00 54.21           C  \\nATOM    928  CD  ARG B  84      30.228   3.868  19.313  1.00 59.13           C  \\nATOM    929  NE  ARG B  84      29.931   4.777  18.206  1.00 64.67           N  \\nATOM    930  CZ  ARG B  84      29.242   5.916  18.297  1.00 67.63           C  \\nATOM    931  NH1 ARG B  84      29.029   6.629  17.195  1.00 68.51           N1+\\nATOM    932  NH2 ARG B  84      28.772   6.350  19.468  1.00 69.01           N  \\nATOM    933  N   LEU B  85      31.478  -1.711  19.130  1.00 48.28           N  \\nATOM    934  CA  LEU B  85      32.063  -2.902  19.749  1.00 47.81           C  \\nATOM    935  C   LEU B  85      33.481  -3.121  19.216  1.00 48.51           C  \\nATOM    936  O   LEU B  85      33.670  -3.720  18.158  1.00 48.03           O  \\nATOM    937  CB  LEU B  85      31.189  -4.130  19.474  1.00 45.98           C  \\nATOM    938  CG  LEU B  85      29.678  -4.032  19.727  1.00 45.98           C  \\nATOM    939  CD1 LEU B  85      28.949  -5.254  19.184  1.00 43.12           C  \\nATOM    940  CD2 LEU B  85      29.347  -3.839  21.198  1.00 46.56           C  \\nATOM    941  N   SER B  86      34.473  -2.638  19.963  1.00 50.18           N  \\nATOM    942  CA  SER B  86      35.867  -2.595  19.506  1.00 51.27           C  \\nATOM    943  C   SER B  86      36.764  -3.756  19.964  1.00 51.33           C  \\nATOM    944  O   SER B  86      37.886  -3.898  19.464  1.00 51.97           O  \\nATOM    945  CB  SER B  86      36.505  -1.290  19.972  1.00 53.10           C  \\nATOM    946  OG  SER B  86      36.587  -1.269  21.388  1.00 54.46           O  \\nATOM    947  N   ALA B  87      36.295  -4.557  20.922  1.00 50.59           N  \\nATOM    948  CA  ALA B  87      37.096  -5.655  21.461  1.00 50.56           C  \\nATOM    949  C   ALA B  87      37.352  -6.734  20.412  1.00 49.87           C  \\nATOM    950  O   ALA B  87      36.479  -7.050  19.603  1.00 48.41           O  \\nATOM    951  CB  ALA B  87      36.439  -6.249  22.689  1.00 49.97           C  \\nATOM    952  N   GLN B  88      38.563  -7.280  20.437  1.00 50.91           N  \\nATOM    953  CA  GLN B  88      39.025  -8.251  19.454  1.00 50.93           C  \\nATOM    954  C   GLN B  88      39.303  -9.559  20.183  1.00 50.55           C  \\nATOM    955  O   GLN B  88      39.922  -9.546  21.243  1.00 51.36           O  \\nATOM    956  CB  GLN B  88      40.328  -7.743  18.830  1.00 52.50           C  \\nATOM    957  CG  GLN B  88      40.378  -7.777  17.316  1.00 55.39           C  \\nATOM    958  CD  GLN B  88      39.191  -7.055  16.666  1.00 57.42           C  \\nATOM    959  NE2 GLN B  88      38.683  -7.631  15.582  1.00 56.82           N  \\nATOM    960  OE1 GLN B  88      38.730  -6.003  17.145  1.00 57.59           O  \\nATOM    961  N   TRP B  89      38.856 -10.682  19.623  1.00 49.15           N  \\nATOM    962  CA  TRP B  89      39.168 -11.985  20.197  1.00 48.66           C  \\nATOM    963  C   TRP B  89      40.640 -12.351  20.023  1.00 50.25           C  \\nATOM    964  O   TRP B  89      41.193 -12.173  18.941  1.00 50.46           O  \\nATOM    965  CB  TRP B  89      38.309 -13.066  19.567  1.00 47.21           C  \\nATOM    966  CG  TRP B  89      38.689 -14.436  20.030  1.00 45.40           C  \\nATOM    967  CD1 TRP B  89      38.490 -14.961  21.267  1.00 44.16           C  \\nATOM    968  CD2 TRP B  89      39.342 -15.451  19.263  1.00 43.78           C  \\nATOM    969  CE2 TRP B  89      39.500 -16.569  20.105  1.00 43.55           C  \\nATOM    970  CE3 TRP B  89      39.813 -15.522  17.945  1.00 43.79           C  \\nATOM    971  NE1 TRP B  89      38.976 -16.240  21.326  1.00 43.36           N  \\nATOM    972  CZ2 TRP B  89      40.112 -17.746  19.677  1.00 44.81           C  \\nATOM    973  CZ3 TRP B  89      40.421 -16.693  17.519  1.00 43.96           C  \\nATOM    974  CH2 TRP B  89      40.561 -17.791  18.382  1.00 44.95           C  \\nATOM    975  N   GLN B  90      41.264 -12.860  21.087  1.00 51.39           N  \\nATOM    976  CA  GLN B  90      42.654 -13.330  21.009  1.00 53.66           C  \\nATOM    977  C   GLN B  90      42.701 -14.836  20.800  1.00 53.50           C  \\nATOM    978  O   GLN B  90      41.894 -15.578  21.370  1.00 52.79           O  \\nATOM    979  CB  GLN B  90      43.463 -12.973  22.260  1.00 54.92           C  \\nATOM    980  CG  GLN B  90      43.183 -11.613  22.860  1.00 57.18           C  \\nATOM    981  CD  GLN B  90      43.510 -10.470  21.918  1.00 60.41           C  \\nATOM    982  NE2 GLN B  90      42.605  -9.501  21.842  1.00 61.17           N  \\nATOM    983  OE1 GLN B  90      44.561 -10.452  21.264  1.00 62.80           O  \\nATOM    984  N   LYS B  91      43.650 -15.275  19.978  1.00 54.41           N  \\nATOM    985  CA  LYS B  91      43.865 -16.688  19.706  1.00 54.66           C  \\nATOM    986  C   LYS B  91      44.156 -17.379  21.040  1.00 54.93           C  \\nATOM    987  O   LYS B  91      44.919 -16.868  21.855  1.00 56.28           O  \\nATOM    988  CB  LYS B  91      45.016 -16.849  18.696  1.00 56.42           C  \\nATOM    989  CG  LYS B  91      45.203 -18.252  18.084  1.00 57.44           C  \\nATOM    990  CD  LYS B  91      45.570 -18.143  16.598  1.00 59.25           C  \\nATOM    991  CE  LYS B  91      46.355 -19.357  16.090  1.00 61.54           C  \\nATOM    992  NZ  LYS B  91      47.819 -19.252  16.382  1.00 63.62           N1+\\nATOM    993  N   GLY B  92      43.488 -18.502  21.283  1.00 54.16           N  \\nATOM    994  CA  GLY B  92      43.658 -19.254  22.522  1.00 53.98           C  \\nATOM    995  C   GLY B  92      42.929 -18.798  23.781  1.00 53.17           C  \\nATOM    996  O   GLY B  92      43.089 -19.426  24.826  1.00 53.62           O  \\nATOM    997  N   GLU B  93      42.150 -17.718  23.720  1.00 51.70           N  \\nATOM    998  CA  GLU B  93      41.365 -17.311  24.899  1.00 51.42           C  \\nATOM    999  C   GLU B  93      39.960 -17.833  24.735  1.00 49.01           C  \\nATOM   1000  O   GLU B  93      39.415 -17.819  23.632  1.00 47.96           O  \\nATOM   1001  CB  GLU B  93      41.282 -15.791  25.100  1.00 51.91           C  \\nATOM   1002  CG  GLU B  93      42.332 -14.943  24.416  1.00 55.90           C  \\nATOM   1003  CD  GLU B  93      43.602 -14.790  25.211  1.00 61.41           C  \\nATOM   1004  OE1 GLU B  93      43.793 -13.713  25.834  1.00 63.50           O  \\nATOM   1005  OE2 GLU B  93      44.416 -15.745  25.194  1.00 64.12           O1-\\nATOM   1006  N   GLU B  94      39.363 -18.272  25.832  1.00 47.92           N  \\nATOM   1007  CA  GLU B  94      38.026 -18.825  25.765  1.00 45.84           C  \\nATOM   1008  C   GLU B  94      37.021 -17.694  25.850  1.00 44.53           C  \\nATOM   1009  O   GLU B  94      37.311 -16.656  26.435  1.00 45.44           O  \\nATOM   1010  CB  GLU B  94      37.802 -19.866  26.867  1.00 46.20           C  \\nATOM   1011  CG  GLU B  94      37.794 -19.318  28.281  1.00 47.51           C  \\nATOM   1012  CD  GLU B  94      39.152 -19.338  28.965  1.00 50.03           C  \\nATOM   1013  OE1 GLU B  94      39.165 -19.391  30.211  1.00 52.52           O  \\nATOM   1014  OE2 GLU B  94      40.201 -19.305  28.284  1.00 50.74           O1-\\nATOM   1015  N   VAL B  95      35.843 -17.907  25.273  1.00 42.48           N  \\nATOM   1016  CA  VAL B  95      34.812 -16.884  25.183  1.00 41.22           C  \\nATOM   1017  C   VAL B  95      33.505 -17.423  25.726  1.00 40.40           C  \\nATOM   1018  O   VAL B  95      33.383 -18.614  25.980  1.00 41.58           O  \\nATOM   1019  CB  VAL B  95      34.562 -16.465  23.707  1.00 40.54           C  \\nATOM   1020  CG1 VAL B  95      35.813 -15.843  23.099  1.00 41.52           C  \\nATOM   1021  CG2 VAL B  95      34.093 -17.660  22.870  1.00 38.60           C  \\nATOM   1022  N   GLN B  96      32.522 -16.557  25.900  1.00 39.07           N  \\nATOM   1023  CA  GLN B  96      31.184 -17.019  26.184  1.00 38.05           C  \\nATOM   1024  C   GLN B  96      30.249 -16.482  25.119  1.00 37.23           C  \\nATOM   1025  O   GLN B  96      30.429 -15.367  24.613  1.00 37.04           O  \\nATOM   1026  CB  GLN B  96      30.732 -16.595  27.580  1.00 38.69           C  \\nATOM   1027  CG  GLN B  96      31.443 -17.346  28.726  1.00 40.23           C  \\nATOM   1028  CD  GLN B  96      30.854 -17.071  30.119  1.00 40.65           C  \\nATOM   1029  NE2 GLN B  96      31.307 -17.836  31.112  1.00 41.98           N  \\nATOM   1030  OE1 GLN B  96      30.019 -16.189  30.300  1.00 40.82           O  \\nATOM   1031  N   VAL B  97      29.268 -17.299  24.762  1.00 36.81           N  \\nATOM   1032  CA  VAL B  97      28.164 -16.870  23.928  1.00 36.05           C  \\nATOM   1033  C   VAL B  97      26.958 -16.677  24.831  1.00 36.37           C  \\nATOM   1034  O   VAL B  97      26.585 -17.590  25.571  1.00 37.46           O  \\nATOM   1035  CB  VAL B  97      27.822 -17.914  22.850  1.00 35.46           C  \\nATOM   1036  CG1 VAL B  97      26.739 -17.376  21.897  1.00 34.93           C  \\nATOM   1037  CG2 VAL B  97      29.067 -18.288  22.072  1.00 36.31           C  \\nATOM   1038  N   ILE B  98      26.363 -15.489  24.790  1.00 35.94           N  \\nATOM   1039  CA  ILE B  98      25.124 -15.242  25.504  1.00 35.40           C  \\nATOM   1040  C   ILE B  98      24.005 -15.596  24.539  1.00 35.06           C  \\nATOM   1041  O   ILE B  98      23.536 -14.756  23.760  1.00 35.00           O  \\nATOM   1042  CB  ILE B  98      24.999 -13.776  26.026  1.00 35.85           C  \\nATOM   1043  CG1 ILE B  98      26.230 -13.379  26.845  1.00 36.35           C  \\nATOM   1044  CG2 ILE B  98      23.718 -13.608  26.863  1.00 35.70           C  \\nATOM   1045  CD1 ILE B  98      26.269 -11.911  27.276  1.00 37.04           C  \\nATOM   1046  N   ALA B  99      23.584 -16.852  24.585  1.00 34.66           N  \\nATOM   1047  CA  ALA B  99      22.663 -17.358  23.593  1.00 33.84           C  \\nATOM   1048  C   ALA B  99      21.240 -17.038  23.989  1.00 34.62           C  \\nATOM   1049  O   ALA B  99      20.765 -17.454  25.048  1.00 35.37           O  \\nATOM   1050  CB  ALA B  99      22.843 -18.854  23.419  1.00 33.80           C  \\nATOM   1051  N   VAL B 100      20.557 -16.301  23.130  1.00 34.34           N  \\nATOM   1052  CA  VAL B 100      19.165 -15.963  23.383  1.00 35.21           C  \\nATOM   1053  C   VAL B 100      18.333 -16.636  22.313  1.00 34.97           C  \\nATOM   1054  O   VAL B 100      18.109 -16.071  21.238  1.00 34.52           O  \\nATOM   1055  CB  VAL B 100      18.941 -14.422  23.397  1.00 35.64           C  \\nATOM   1056  CG1 VAL B 100      17.572 -14.080  23.972  1.00 36.09           C  \\nATOM   1057  CG2 VAL B 100      20.044 -13.720  24.204  1.00 34.99           C  \\nATOM   1058  N   GLU B 101      17.903 -17.860  22.597  1.00 35.44           N  \\nATOM   1059  CA  GLU B 101      17.113 -18.621  21.640  1.00 36.23           C  \\nATOM   1060  C   GLU B 101      15.631 -18.253  21.788  1.00 37.42           C  \\nATOM   1061  O   GLU B 101      15.222 -17.824  22.858  1.00 38.01           O  \\nATOM   1062  CB  GLU B 101      17.306 -20.121  21.858  1.00 36.90           C  \\nATOM   1063  CG  GLU B 101      18.735 -20.610  21.837  1.00 37.32           C  \\nATOM   1064  CD  GLU B 101      18.831 -22.136  21.681  1.00 41.96           C  \\nATOM   1065  OE1 GLU B 101      18.757 -22.646  20.535  1.00 42.07           O  \\nATOM   1066  OE2 GLU B 101      19.004 -22.826  22.716  1.00 44.47           O1-\\nATOM   1067  N   PRO B 102      14.834 -18.385  20.708  1.00 37.74           N  \\nATOM   1068  CA  PRO B 102      13.393 -18.176  20.802  1.00 39.16           C  \\nATOM   1069  C   PRO B 102      12.709 -19.021  21.882  1.00 40.79           C  \\nATOM   1070  O   PRO B 102      12.881 -20.256  21.933  1.00 41.06           O  \\nATOM   1071  CB  PRO B 102      12.901 -18.568  19.402  1.00 38.85           C  \\nATOM   1072  CG  PRO B 102      14.011 -18.147  18.529  1.00 37.67           C  \\nATOM   1073  CD  PRO B 102      15.261 -18.510  19.299  1.00 37.06           C  \\nATOM   1074  N   GLY B 103      11.950 -18.346  22.747  1.00 41.83           N  \\nATOM   1075  CA  GLY B 103      11.211 -19.014  23.806  1.00 43.17           C  \\nATOM   1076  C   GLY B 103      12.057 -19.580  24.933  1.00 43.48           C  \\nATOM   1077  O   GLY B 103      11.545 -20.298  25.781  1.00 44.64           O  \\nATOM   1078  N   LYS B 104      13.348 -19.257  24.955  1.00 42.77           N  \\nATOM   1079  CA  LYS B 104      14.248 -19.756  26.006  1.00 43.71           C  \\nATOM   1080  C   LYS B 104      14.878 -18.613  26.803  1.00 43.32           C  \\nATOM   1081  O   LYS B 104      15.172 -17.535  26.263  1.00 42.40           O  \\nATOM   1082  CB  LYS B 104      15.377 -20.624  25.418  1.00 43.18           C  \\nATOM   1083  CG  LYS B 104      14.946 -21.881  24.637  1.00 46.04           C  \\nATOM   1084  CD  LYS B 104      14.728 -23.074  25.557  1.00 52.13           C  \\nATOM   1085  CE  LYS B 104      15.152 -24.383  24.888  1.00 55.35           C  \\nATOM   1086  NZ  LYS B 104      16.647 -24.484  24.703  1.00 55.98           N1+\\nATOM   1087  N   ASN B 105      15.099 -18.862  28.088  1.00 43.72           N  \\nATOM   1088  CA  ASN B 105      15.882 -17.951  28.900  1.00 43.79           C  \\nATOM   1089  C   ASN B 105      17.285 -17.820  28.290  1.00 42.06           C  \\nATOM   1090  O   ASN B 105      17.787 -18.777  27.706  1.00 41.13           O  \\nATOM   1091  CB  ASN B 105      15.940 -18.444  30.354  1.00 45.08           C  \\nATOM   1092  CG  ASN B 105      14.594 -18.315  31.071  1.00 47.19           C  \\nATOM   1093  ND2 ASN B 105      14.208 -19.360  31.796  1.00 47.82           N  \\nATOM   1094  OD1 ASN B 105      13.919 -17.282  30.980  1.00 47.34           O  \\nATOM   1095  N   PRO B 106      17.896 -16.628  28.383  1.00 41.44           N  \\nATOM   1096  CA  PRO B 106      19.273 -16.464  27.933  1.00 40.39           C  \\nATOM   1097  C   PRO B 106      20.178 -17.378  28.743  1.00 40.77           C  \\nATOM   1098  O   PRO B 106      19.898 -17.622  29.913  1.00 42.08           O  \\nATOM   1099  CB  PRO B 106      19.587 -15.002  28.272  1.00 40.79           C  \\nATOM   1100  CG  PRO B 106      18.277 -14.344  28.441  1.00 41.39           C  \\nATOM   1101  CD  PRO B 106      17.357 -15.392  28.978  1.00 42.23           C  \\nATOM   1102  N   LYS B 107      21.234 -17.899  28.124  1.00 40.12           N  \\nATOM   1103  CA  LYS B 107      22.177 -18.760  28.820  1.00 40.57           C  \\nATOM   1104  C   LYS B 107      23.567 -18.613  28.233  1.00 39.77           C  \\nATOM   1105  O   LYS B 107      23.734 -18.692  27.022  1.00 40.28           O  \\nATOM   1106  CB  LYS B 107      21.714 -20.216  28.718  1.00 41.04           C  \\nATOM   1107  CG  LYS B 107      22.351 -21.139  29.734  1.00 42.36           C  \\nATOM   1108  CD  LYS B 107      21.872 -22.564  29.543  1.00 44.52           C  \\nATOM   1109  CE  LYS B 107      22.695 -23.532  30.379  1.00 47.60           C  \\nATOM   1110  NZ  LYS B 107      22.654 -24.900  29.794  1.00 49.30           N1+\\nATOM   1111  N   ASN B 108      24.565 -18.397  29.083  1.00 40.29           N  \\nATOM   1112  CA  ASN B 108      25.959 -18.283  28.640  1.00 39.40           C  \\nATOM   1113  C   ASN B 108      26.580 -19.651  28.417  1.00 39.12           C  \\nATOM   1114  O   ASN B 108      26.425 -20.555  29.232  1.00 40.70           O  \\nATOM   1115  CB  ASN B 108      26.814 -17.529  29.669  1.00 40.26           C  \\nATOM   1116  CG  ASN B 108      26.484 -16.052  29.756  1.00 39.93           C  \\nATOM   1117  ND2 ASN B 108      27.510 -15.231  29.885  1.00 37.04           N  \\nATOM   1118  OD1 ASN B 108      25.320 -15.657  29.742  1.00 42.23           O  \\nATOM   1119  N   PHE B 109      27.300 -19.801  27.325  1.00 38.05           N  \\nATOM   1120  CA  PHE B 109      27.957 -21.054  27.043  1.00 38.07           C  \\nATOM   1121  C   PHE B 109      29.419 -20.775  26.819  1.00 38.19           C  \\nATOM   1122  O   PHE B 109      29.783 -19.982  25.956  1.00 38.33           O  \\nATOM   1123  CB  PHE B 109      27.336 -21.722  25.822  1.00 37.13           C  \\nATOM   1124  CG  PHE B 109      25.945 -22.243  26.060  1.00 37.37           C  \\nATOM   1125  CD1 PHE B 109      25.742 -23.504  26.624  1.00 39.55           C  \\nATOM   1126  CD2 PHE B 109      24.840 -21.478  25.729  1.00 36.05           C  \\nATOM   1127  CE1 PHE B 109      24.440 -23.994  26.839  1.00 39.32           C  \\nATOM   1128  CE2 PHE B 109      23.539 -21.951  25.946  1.00 37.19           C  \\nATOM   1129  CZ  PHE B 109      23.342 -23.209  26.496  1.00 38.07           C  \\nATOM   1130  N   GLN B 110      30.265 -21.398  27.620  1.00 38.94           N  \\nATOM   1131  CA  GLN B 110      31.691 -21.160  27.497  1.00 39.06           C  \\nATOM   1132  C   GLN B 110      32.245 -22.107  26.451  1.00 39.09           C  \\nATOM   1133  O   GLN B 110      31.839 -23.270  26.384  1.00 39.53           O  \\nATOM   1134  CB  GLN B 110      32.391 -21.363  28.839  1.00 39.94           C  \\nATOM   1135  CG  GLN B 110      33.801 -20.841  28.861  1.00 39.72           C  \\nATOM   1136  CD  GLN B 110      34.334 -20.679  30.264  1.00 40.15           C  \\nATOM   1137  NE2 GLN B 110      35.440 -21.359  30.557  1.00 40.97           N  \\nATOM   1138  OE1 GLN B 110      33.773 -19.941  31.075  1.00 39.07           O  \\nATOM   1139  N   THR B 111      33.161 -21.606  25.631  1.00 38.93           N  \\nATOM   1140  CA  THR B 111      33.787 -22.418  24.606  1.00 39.10           C  \\nATOM   1141  C   THR B 111      35.172 -21.901  24.266  1.00 40.06           C  \\nATOM   1142  O   THR B 111      35.469 -20.706  24.434  1.00 40.30           O  \\nATOM   1143  CB  THR B 111      32.890 -22.523  23.329  1.00 38.53           C  \\nATOM   1144  CG2 THR B 111      32.951 -21.280  22.479  1.00 35.10           C  \\nATOM   1145  OG1 THR B 111      33.291 -23.657  22.558  1.00 39.96           O  \\nATOM   1146  N   MET B 112      36.029 -22.808  23.820  1.00 41.25           N  \\nATOM   1147  CA  MET B 112      37.344 -22.431  23.326  1.00 42.62           C  \\nATOM   1148  C   MET B 112      37.212 -22.506  21.832  1.00 42.28           C  \\nATOM   1149  O   MET B 112      37.136 -23.604  21.284  1.00 43.03           O  \\nATOM   1150  CB  MET B 112      38.435 -23.382  23.807  1.00 44.22           C  \\nATOM   1151  CG  MET B 112      39.847 -23.070  23.243  1.00 46.75           C  \\nATOM   1152  SD  MET B 112      40.508 -21.448  23.752  1.00 50.61           S  \\nATOM   1153  CE  MET B 112      40.804 -21.788  25.496  1.00 48.15           C  \\nATOM   1154  N   PRO B 113      37.155 -21.339  21.162  1.00 41.76           N  \\nATOM   1155  CA  PRO B 113      37.009 -21.369  19.715  1.00 41.32           C  \\nATOM   1156  C   PRO B 113      38.218 -21.988  19.030  1.00 42.68           C  \\nATOM   1157  O   PRO B 113      39.334 -21.943  19.569  1.00 43.48           O  \\nATOM   1158  CB  PRO B 113      36.901 -19.885  19.335  1.00 41.17           C  \\nATOM   1159  CG  PRO B 113      36.672 -19.142  20.626  1.00 40.84           C  \\nATOM   1160  CD  PRO B 113      37.333 -19.970  21.675  1.00 41.27           C  \\nATOM   1161  N   GLY B 114      37.986 -22.575  17.856  1.00 43.18           N  \\nATOM   1162  CA  GLY B 114      39.064 -22.914  16.926  1.00 44.86           C  \\nATOM   1163  C   GLY B 114      39.368 -21.703  16.063  1.00 45.30           C  \\nATOM   1164  O   GLY B 114      39.004 -20.578  16.415  1.00 44.89           O  \\nATOM   1165  N   THR B 115      40.033 -21.908  14.933  1.00 46.88           N  \\nATOM   1166  CA  THR B 115      40.316 -20.794  14.038  1.00 48.07           C  \\nATOM   1167  C   THR B 115      39.952 -21.091  12.592  1.00 48.81           C  \\nATOM   1168  O   THR B 115      40.132 -22.214  12.101  1.00 49.42           O  \\nATOM   1169  CB  THR B 115      41.789 -20.334  14.104  1.00 49.59           C  \\nATOM   1170  CG2 THR B 115      42.089 -19.608  15.401  1.00 48.98           C  \\nATOM   1171  OG1 THR B 115      42.643 -21.473  14.005  1.00 53.03           O  \\nATOM   1172  N   PHE B 116      39.415 -20.065  11.935  1.00 49.01           N  \\nATOM   1173  CA  PHE B 116      39.143 -20.080  10.510  1.00 50.17           C  \\nATOM   1174  C   PHE B 116      40.303 -19.347   9.855  1.00 52.42           C  \\nATOM   1175  O   PHE B 116      40.616 -18.212  10.225  1.00 52.60           O  \\nATOM   1176  CB  PHE B 116      37.845 -19.318  10.190  1.00 48.36           C  \\nATOM   1177  CG  PHE B 116      36.566 -20.106  10.406  1.00 45.87           C  \\nATOM   1178  CD1 PHE B 116      36.430 -21.408   9.940  1.00 45.39           C  \\nATOM   1179  CD2 PHE B 116      35.476 -19.509  11.021  1.00 42.76           C  \\nATOM   1180  CE1 PHE B 116      35.246 -22.113  10.119  1.00 43.37           C  \\nATOM   1181  CE2 PHE B 116      34.279 -20.205  11.198  1.00 42.97           C  \\nATOM   1182  CZ  PHE B 116      34.164 -21.508  10.746  1.00 42.65           C  \\nATOM   1183  N   GLN B 117      40.948 -20.000   8.898  1.00 55.21           N  \\nATOM   1184  CA  GLN B 117      42.060 -19.399   8.174  1.00 58.26           C  \\nATOM   1185  C   GLN B 117      41.551 -18.877   6.833  1.00 58.75           C  \\nATOM   1186  O   GLN B 117      40.974 -19.628   6.040  1.00 58.56           O  \\nATOM   1187  CB  GLN B 117      43.194 -20.414   7.954  1.00 60.55           C  \\nATOM   1188  CG  GLN B 117      43.693 -21.131   9.225  1.00 63.22           C  \\nATOM   1189  CD  GLN B 117      44.736 -22.221   8.935  1.00 68.49           C  \\nATOM   1190  NE2 GLN B 117      44.719 -23.292   9.737  1.00 68.12           N  \\nATOM   1191  OE1 GLN B 117      45.545 -22.098   8.002  1.00 71.79           O  \\nATOM   1192  N   THR B 118      41.746 -17.581   6.600  1.00 59.73           N  \\nATOM   1193  CA  THR B 118      41.463 -16.976   5.297  1.00 60.92           C  \\nATOM   1194  C   THR B 118      42.775 -16.562   4.641  1.00 63.47           C  \\nATOM   1195  O   THR B 118      43.857 -16.808   5.184  1.00 64.62           O  \\nATOM   1196  CB  THR B 118      40.513 -15.743   5.396  1.00 59.58           C  \\nATOM   1197  CG2 THR B 118      39.289 -16.044   6.263  1.00 57.89           C  \\nATOM   1198  OG1 THR B 118      41.212 -14.628   5.958  1.00 60.33           O  \\nATOM   1199  N   THR B 119      42.671 -15.953   3.462  1.00 65.05           N  \\nATOM   1200  CA  THR B 119      43.809 -15.307   2.809  1.00 67.52           C  \\nATOM   1201  C   THR B 119      44.194 -14.041   3.587  1.00 67.85           C  \\nATOM   1202  O   THR B 119      45.377 -13.767   3.781  1.00 69.20           O  \\nATOM   1203  CB  THR B 119      43.499 -14.973   1.333  1.00 68.29           C  \\nATOM   1204  CG2 THR B 119      43.491 -16.257   0.487  1.00 69.11           C  \\nATOM   1205  OG1 THR B 119      42.214 -14.339   1.240  1.00 67.26           O  \\nATOM   1206  N   THR B 120      43.180 -13.296   4.040  1.00 66.88           N  \\nATOM   1207  CA  THR B 120      43.349 -12.139   4.934  1.00 67.11           C  \\nATOM   1208  C   THR B 120      44.091 -12.528   6.225  1.00 67.06           C  \\nATOM   1209  O   THR B 120      45.273 -12.234   6.372  1.00 68.96           O  \\nATOM   1210  CB  THR B 120      41.974 -11.501   5.321  1.00 65.68           C  \\nATOM   1211  CG2 THR B 120      42.162 -10.114   5.943  1.00 66.67           C  \\nATOM   1212  OG1 THR B 120      41.126 -11.407   4.169  1.00 65.78           O  \\nATOM   1213  N   GLY B 121      43.393 -13.185   7.152  1.00 65.22           N  \\nATOM   1214  CA  GLY B 121      43.941 -13.499   8.480  1.00 64.40           C  \\nATOM   1215  C   GLY B 121      43.142 -14.571   9.201  1.00 62.36           C  \\nATOM   1216  O   GLY B 121      42.702 -15.548   8.589  1.00 62.20           O  \\nATOM   1217  N   GLU B 122      42.945 -14.398  10.503  1.00 60.82           N  \\nATOM   1218  CA  GLU B 122      42.264 -15.427  11.290  1.00 58.97           C  \\nATOM   1219  C   GLU B 122      41.011 -14.921  11.989  1.00 56.26           C  \\nATOM   1220  O   GLU B 122      40.993 -13.817  12.519  1.00 56.16           O  \\nATOM   1221  CB  GLU B 122      43.218 -16.088  12.294  1.00 60.27           C  \\nATOM   1222  CG  GLU B 122      44.535 -16.548  11.678  1.00 64.26           C  \\nATOM   1223  CD  GLU B 122      44.941 -17.951  12.097  1.00 68.61           C  \\nATOM   1224  OE1 GLU B 122      45.130 -18.193  13.314  1.00 69.69           O  \\nATOM   1225  OE2 GLU B 122      45.089 -18.812  11.192  1.00 70.60           O1-\\nATOM   1226  N   ILE B 123      39.970 -15.749  11.966  1.00 53.66           N  \\nATOM   1227  CA  ILE B 123      38.692 -15.484  12.619  1.00 51.19           C  \\nATOM   1228  C   ILE B 123      38.423 -16.671  13.559  1.00 50.11           C  \\nATOM   1229  O   ILE B 123      38.618 -17.822  13.162  1.00 50.54           O  \\nATOM   1230  CB  ILE B 123      37.536 -15.387  11.564  1.00 50.31           C  \\nATOM   1231  CG1 ILE B 123      37.778 -14.236  10.574  1.00 51.85           C  \\nATOM   1232  CG2 ILE B 123      36.190 -15.237  12.219  1.00 48.42           C  \\nATOM   1233  CD1 ILE B 123      36.775 -14.170   9.415  1.00 52.71           C  \\nATOM   1234  N   GLY B 124      37.984 -16.402  14.790  1.00 48.09           N  \\nATOM   1235  CA  GLY B 124      37.588 -17.466  15.707  1.00 46.52           C  \\nATOM   1236  C   GLY B 124      36.451 -18.309  15.141  1.00 45.02           C  \\nATOM   1237  O   GLY B 124      35.630 -17.811  14.370  1.00 44.55           O  \\nATOM   1238  N   ALA B 125      36.413 -19.591  15.505  1.00 43.84           N  \\nATOM   1239  CA  ALA B 125      35.363 -20.491  15.033  1.00 42.16           C  \\nATOM   1240  C   ALA B 125      34.661 -21.140  16.219  1.00 41.27           C  \\nATOM   1241  O   ALA B 125      35.294 -21.787  17.033  1.00 41.62           O  \\nATOM   1242  CB  ALA B 125      35.942 -21.541  14.106  1.00 42.43           C  \\nATOM   1243  N   ILE B 126      33.351 -20.949  16.311  1.00 40.25           N  \\nATOM   1244  CA  ILE B 126      32.571 -21.429  17.438  1.00 39.62           C  \\nATOM   1245  C   ILE B 126      31.667 -22.564  16.996  1.00 39.31           C  \\nATOM   1246  O   ILE B 126      30.704 -22.359  16.239  1.00 38.35           O  \\nATOM   1247  CB  ILE B 126      31.734 -20.289  18.069  1.00 39.54           C  \\nATOM   1248  CG1 ILE B 126      32.644 -19.326  18.831  1.00 40.54           C  \\nATOM   1249  CG2 ILE B 126      30.688 -20.846  19.021  1.00 40.29           C  \\nATOM   1250  CD1 ILE B 126      31.906 -18.251  19.566  1.00 41.65           C  \\nATOM   1251  N   ALA B 127      31.978 -23.762  17.489  1.00 39.29           N  \\nATOM   1252  CA  ALA B 127      31.273 -24.965  17.092  1.00 39.18           C  \\nATOM   1253  C   ALA B 127      30.119 -25.235  18.040  1.00 38.95           C  \\nATOM   1254  O   ALA B 127      30.127 -26.220  18.771  1.00 39.96           O  \\nATOM   1255  CB  ALA B 127      32.227 -26.137  17.047  1.00 39.92           C  \\nATOM   1256  N   LEU B 128      29.142 -24.332  18.029  1.00 38.20           N  \\nATOM   1257  CA  LEU B 128      27.927 -24.442  18.820  1.00 37.62           C  \\nATOM   1258  C   LEU B 128      26.773 -24.184  17.896  1.00 37.26           C  \\nATOM   1259  O   LEU B 128      26.855 -23.322  17.020  1.00 36.68           O  \\nATOM   1260  CB  LEU B 128      27.889 -23.396  19.933  1.00 37.66           C  \\nATOM   1261  CG  LEU B 128      28.971 -23.388  21.024  1.00 38.51           C  \\nATOM   1262  CD1 LEU B 128      28.710 -22.276  22.049  1.00 38.46           C  \\nATOM   1263  CD2 LEU B 128      29.017 -24.712  21.700  1.00 38.76           C  \\nATOM   1264  N   ASP B 129      25.680 -24.902  18.126  1.00 37.58           N  \\nATOM   1265  CA  ASP B 129      24.575 -24.935  17.208  1.00 37.38           C  \\nATOM   1266  C   ASP B 129      23.258 -24.533  17.891  1.00 37.07           C  \\nATOM   1267  O   ASP B 129      22.579 -25.357  18.503  1.00 37.67           O  \\nATOM   1268  CB  ASP B 129      24.488 -26.350  16.604  1.00 38.63           C  \\nATOM   1269  CG  ASP B 129      23.390 -26.494  15.558  1.00 39.38           C  \\nATOM   1270  OD1 ASP B 129      22.705 -25.513  15.223  1.00 40.82           O  \\nATOM   1271  OD2 ASP B 129      23.211 -27.605  15.049  1.00 44.91           O1-\\nATOM   1272  N   PHE B 130      22.887 -23.265  17.754  1.00 35.93           N  \\nATOM   1273  CA  PHE B 130      21.661 -22.767  18.358  1.00 35.32           C  \\nATOM   1274  C   PHE B 130      20.545 -22.691  17.325  1.00 35.38           C  \\nATOM   1275  O   PHE B 130      20.827 -22.742  16.135  1.00 35.54           O  \\nATOM   1276  CB  PHE B 130      21.925 -21.432  19.051  1.00 34.43           C  \\nATOM   1277  CG  PHE B 130      22.949 -21.527  20.137  1.00 33.03           C  \\nATOM   1278  CD1 PHE B 130      22.701 -22.292  21.281  1.00 33.83           C  \\nATOM   1279  CD2 PHE B 130      24.172 -20.882  20.017  1.00 32.51           C  \\nATOM   1280  CE1 PHE B 130      23.662 -22.399  22.300  1.00 32.92           C  \\nATOM   1281  CE2 PHE B 130      25.147 -20.986  21.026  1.00 32.92           C  \\nATOM   1282  CZ  PHE B 130      24.894 -21.746  22.168  1.00 31.05           C  \\nATOM   1283  N   LYS B 131      19.292 -22.605  17.774  1.00 35.47           N  \\nATOM   1284  CA  LYS B 131      18.140 -22.660  16.867  1.00 35.82           C  \\nATOM   1285  C   LYS B 131      18.097 -21.442  15.927  1.00 34.93           C  \\nATOM   1286  O   LYS B 131      18.692 -20.407  16.215  1.00 33.74           O  \\nATOM   1287  CB  LYS B 131      16.832 -22.707  17.663  1.00 36.76           C  \\nATOM   1288  CG  LYS B 131      16.556 -24.002  18.442  1.00 39.49           C  \\nATOM   1289  CD  LYS B 131      16.239 -25.190  17.531  1.00 42.60           C  \\nATOM   1290  CE  LYS B 131      15.903 -26.438  18.351  1.00 44.19           C  \\nATOM   1291  NZ  LYS B 131      14.473 -26.463  18.861  1.00 45.69           N1+\\nATOM   1292  N   PRO B 132      17.383 -21.557  14.788  1.00 34.80           N  \\nATOM   1293  CA  PRO B 132      17.139 -20.318  14.067  1.00 33.78           C  \\nATOM   1294  C   PRO B 132      16.529 -19.259  14.989  1.00 33.81           C  \\nATOM   1295  O   PRO B 132      15.771 -19.585  15.917  1.00 34.56           O  \\nATOM   1296  CB  PRO B 132      16.146 -20.738  13.006  1.00 34.63           C  \\nATOM   1297  CG  PRO B 132      16.493 -22.190  12.740  1.00 34.90           C  \\nATOM   1298  CD  PRO B 132      16.923 -22.747  14.045  1.00 35.15           C  \\nATOM   1299  N   GLY B 133      16.870 -17.999  14.746  1.00 32.78           N  \\nATOM   1300  CA  GLY B 133      16.361 -16.896  15.551  1.00 32.41           C  \\nATOM   1301  C   GLY B 133      17.384 -16.377  16.544  1.00 31.71           C  \\nATOM   1302  O   GLY B 133      17.177 -15.343  17.203  1.00 31.45           O  \\nATOM   1303  N   THR B 134      18.507 -17.069  16.655  1.00 31.31           N  \\nATOM   1304  CA  THR B 134      19.460 -16.690  17.691  1.00 31.10           C  \\nATOM   1305  C   THR B 134      20.718 -16.049  17.130  1.00 30.78           C  \\nATOM   1306  O   THR B 134      21.658 -15.745  17.874  1.00 31.30           O  \\nATOM   1307  CB  THR B 134      19.628 -17.821  18.822  1.00 31.55           C  \\nATOM   1308  CG2 THR B 134      19.035 -19.105  18.412  1.00 29.90           C  \\nATOM   1309  OG1 THR B 134      20.999 -18.053  19.152  1.00 34.25           O  \\nATOM   1310  N   SER B 135      20.701 -15.762  15.823  1.00 30.79           N  \\nATOM   1311  CA  SER B 135      21.780 -14.985  15.187  1.00 30.08           C  \\nATOM   1312  C   SER B 135      21.833 -13.550  15.750  1.00 29.99           C  \\nATOM   1313  O   SER B 135      20.805 -12.911  15.996  1.00 29.02           O  \\nATOM   1314  CB  SER B 135      21.633 -14.966  13.662  1.00 29.96           C  \\nATOM   1315  OG  SER B 135      21.850 -16.260  13.098  1.00 31.90           O  \\nATOM   1316  N   GLY B 136      23.043 -13.059  15.976  1.00 29.23           N  \\nATOM   1317  CA  GLY B 136      23.194 -11.786  16.610  1.00 29.56           C  \\nATOM   1318  C   GLY B 136      23.532 -11.916  18.083  1.00 30.44           C  \\nATOM   1319  O   GLY B 136      23.908 -10.925  18.708  1.00 31.63           O  \\nATOM   1320  N   SER B 137      23.387 -13.105  18.660  1.00 30.00           N  \\nATOM   1321  CA  SER B 137      23.808 -13.295  20.046  1.00 30.98           C  \\nATOM   1322  C   SER B 137      25.277 -12.920  20.149  1.00 31.17           C  \\nATOM   1323  O   SER B 137      26.051 -13.270  19.266  1.00 31.36           O  \\nATOM   1324  CB  SER B 137      23.619 -14.744  20.501  1.00 30.77           C  \\nATOM   1325  OG  SER B 137      22.238 -15.068  20.601  1.00 31.00           O  \\nATOM   1326  N   PRO B 138      25.657 -12.194  21.213  1.00 31.87           N  \\nATOM   1327  CA  PRO B 138      27.015 -11.710  21.352  1.00 32.38           C  \\nATOM   1328  C   PRO B 138      27.961 -12.756  21.898  1.00 33.22           C  \\nATOM   1329  O   PRO B 138      27.562 -13.668  22.655  1.00 33.12           O  \\nATOM   1330  CB  PRO B 138      26.868 -10.596  22.386  1.00 32.88           C  \\nATOM   1331  CG  PRO B 138      25.794 -11.074  23.254  1.00 33.12           C  \\nATOM   1332  CD  PRO B 138      24.804 -11.706  22.310  1.00 32.35           C  \\nATOM   1333  N   ILE B 139      29.223 -12.591  21.530  1.00 34.19           N  \\nATOM   1334  CA  ILE B 139      30.284 -13.451  21.981  1.00 35.30           C  \\nATOM   1335  C   ILE B 139      31.157 -12.529  22.807  1.00 37.16           C  \\nATOM   1336  O   ILE B 139      31.603 -11.487  22.305  1.00 38.07           O  \\nATOM   1337  CB  ILE B 139      31.050 -14.022  20.765  1.00 35.03           C  \\nATOM   1338  CG1 ILE B 139      30.105 -14.871  19.905  1.00 33.98           C  \\nATOM   1339  CG2 ILE B 139      32.284 -14.815  21.216  1.00 34.95           C  \\nATOM   1340  CD1 ILE B 139      30.586 -15.112  18.487  1.00 34.82           C  \\nATOM   1341  N   ILE B 140      31.368 -12.866  24.078  1.00 38.22           N  \\nATOM   1342  CA  ILE B 140      32.091 -11.953  24.973  1.00 39.78           C  \\nATOM   1343  C   ILE B 140      33.389 -12.528  25.502  1.00 41.01           C  \\nATOM   1344  O   ILE B 140      33.565 -13.736  25.531  1.00 41.06           O  \\nATOM   1345  CB  ILE B 140      31.232 -11.490  26.164  1.00 40.21           C  \\nATOM   1346  CG1 ILE B 140      30.944 -12.662  27.097  1.00 40.79           C  \\nATOM   1347  CG2 ILE B 140      29.924 -10.837  25.681  1.00 39.43           C  \\nATOM   1348  CD1 ILE B 140      30.634 -12.224  28.501  1.00 43.76           C  \\nATOM   1349  N   ASN B 141      34.298 -11.648  25.912  1.00 42.98           N  \\nATOM   1350  CA  ASN B 141      35.535 -12.064  26.555  1.00 44.70           C  \\nATOM   1351  C   ASN B 141      35.418 -11.961  28.072  1.00 46.56           C  \\nATOM   1352  O   ASN B 141      34.361 -11.570  28.596  1.00 46.22           O  \\nATOM   1353  CB  ASN B 141      36.743 -11.273  26.038  1.00 45.37           C  \\nATOM   1354  CG  ASN B 141      36.676  -9.780  26.361  1.00 46.28           C  \\nATOM   1355  ND2 ASN B 141      37.499  -9.005  25.669  1.00 47.12           N  \\nATOM   1356  OD1 ASN B 141      35.911  -9.332  27.213  1.00 46.59           O  \\nATOM   1357  N   ARG B 142      36.509 -12.308  28.755  1.00 48.34           N  \\nATOM   1358  CA  ARG B 142      36.571 -12.342  30.212  1.00 50.63           C  \\nATOM   1359  C   ARG B 142      36.207 -10.986  30.837  1.00 52.08           C  \\nATOM   1360  O   ARG B 142      35.651 -10.937  31.941  1.00 52.97           O  \\nATOM   1361  CB  ARG B 142      37.978 -12.764  30.647  1.00 52.03           C  \\nATOM   1362  CG  ARG B 142      38.026 -13.673  31.838  1.00 53.19           C  \\nATOM   1363  CD  ARG B 142      38.269 -15.137  31.474  1.00 53.50           C  \\nATOM   1364  NE  ARG B 142      37.875 -15.970  32.612  1.00 55.38           N  \\nATOM   1365  CZ  ARG B 142      37.833 -17.297  32.626  1.00 55.43           C  \\nATOM   1366  NH1 ARG B 142      37.428 -17.921  33.717  1.00 57.13           N1+\\nATOM   1367  NH2 ARG B 142      38.188 -18.001  31.565  1.00 55.42           N  \\nATOM   1368  N   GLU B 143      36.518  -9.892  30.135  1.00 52.55           N  \\nATOM   1369  CA  GLU B 143      36.220  -8.547  30.634  1.00 54.13           C  \\nATOM   1370  C   GLU B 143      34.762  -8.152  30.431  1.00 52.89           C  \\nATOM   1371  O   GLU B 143      34.375  -7.047  30.782  1.00 54.25           O  \\nATOM   1372  CB  GLU B 143      37.126  -7.495  29.990  1.00 55.14           C  \\nATOM   1373  CG  GLU B 143      38.591  -7.562  30.417  1.00 60.11           C  \\nATOM   1374  CD  GLU B 143      39.406  -8.541  29.570  1.00 63.88           C  \\nATOM   1375  OE1 GLU B 143      40.130  -8.075  28.655  1.00 65.84           O  \\nATOM   1376  OE2 GLU B 143      39.312  -9.770  29.810  1.00 64.83           O1-\\nATOM   1377  N   GLY B 144      33.957  -9.045  29.861  1.00 50.93           N  \\nATOM   1378  CA  GLY B 144      32.546  -8.769  29.628  1.00 49.36           C  \\nATOM   1379  C   GLY B 144      32.329  -7.902  28.401  1.00 48.41           C  \\nATOM   1380  O   GLY B 144      31.281  -7.263  28.258  1.00 48.14           O  \\nATOM   1381  N   LYS B 145      33.322  -7.887  27.514  1.00 47.43           N  \\nATOM   1382  CA  LYS B 145      33.281  -7.063  26.312  1.00 46.56           C  \\nATOM   1383  C   LYS B 145      32.981  -7.969  25.134  1.00 44.52           C  \\nATOM   1384  O   LYS B 145      33.491  -9.102  25.069  1.00 43.76           O  \\nATOM   1385  CB  LYS B 145      34.629  -6.367  26.089  1.00 48.05           C  \\nATOM   1386  CG  LYS B 145      35.130  -5.494  27.242  1.00 51.11           C  \\nATOM   1387  CD  LYS B 145      34.917  -4.013  26.963  1.00 57.15           C  \\nATOM   1388  CE  LYS B 145      35.891  -3.481  25.878  1.00 59.57           C  \\nATOM   1389  NZ  LYS B 145      35.262  -2.464  24.964  1.00 59.94           N1+\\nATOM   1390  N   VAL B 146      32.161  -7.469  24.209  1.00 42.58           N  \\nATOM   1391  CA  VAL B 146      31.750  -8.223  23.023  1.00 40.21           C  \\nATOM   1392  C   VAL B 146      32.877  -8.250  21.979  1.00 39.77           C  \\nATOM   1393  O   VAL B 146      33.315  -7.211  21.500  1.00 40.09           O  \\nATOM   1394  CB  VAL B 146      30.451  -7.626  22.402  1.00 39.87           C  \\nATOM   1395  CG1 VAL B 146      30.003  -8.413  21.170  1.00 37.60           C  \\nATOM   1396  CG2 VAL B 146      29.328  -7.583  23.440  1.00 39.68           C  \\nATOM   1397  N   VAL B 147      33.341  -9.448  21.626  1.00 38.33           N  \\nATOM   1398  CA  VAL B 147      34.382  -9.595  20.609  1.00 36.83           C  \\nATOM   1399  C   VAL B 147      33.804  -9.912  19.223  1.00 35.82           C  \\nATOM   1400  O   VAL B 147      34.539  -9.953  18.236  1.00 35.55           O  \\nATOM   1401  CB  VAL B 147      35.389 -10.694  20.994  1.00 37.47           C  \\nATOM   1402  CG1 VAL B 147      36.256 -10.251  22.178  1.00 37.10           C  \\nATOM   1403  CG2 VAL B 147      34.663 -11.994  21.306  1.00 35.73           C  \\nATOM   1404  N   GLY B 148      32.493 -10.154  19.159  1.00 34.22           N  \\nATOM   1405  CA  GLY B 148      31.832 -10.475  17.901  1.00 33.17           C  \\nATOM   1406  C   GLY B 148      30.427 -11.027  18.091  1.00 32.36           C  \\nATOM   1407  O   GLY B 148      29.967 -11.193  19.205  1.00 32.61           O  \\nATOM   1408  N   LEU B 149      29.733 -11.289  16.994  1.00 31.85           N  \\nATOM   1409  CA  LEU B 149      28.368 -11.785  17.055  1.00 30.78           C  \\nATOM   1410  C   LEU B 149      28.330 -13.162  16.408  1.00 30.81           C  \\nATOM   1411  O   LEU B 149      29.172 -13.467  15.545  1.00 30.59           O  \\nATOM   1412  CB  LEU B 149      27.386 -10.831  16.351  1.00 30.23           C  \\nATOM   1413  CG  LEU B 149      27.281  -9.364  16.804  1.00 31.59           C  \\nATOM   1414  CD1 LEU B 149      26.240  -8.578  15.983  1.00 28.76           C  \\nATOM   1415  CD2 LEU B 149      26.953  -9.254  18.297  1.00 29.27           C  \\nATOM   1416  N   TYR B 150      27.345 -13.969  16.822  1.00 30.19           N  \\nATOM   1417  CA  TYR B 150      27.214 -15.361  16.410  1.00 30.01           C  \\nATOM   1418  C   TYR B 150      26.139 -15.516  15.343  1.00 30.42           C  \\nATOM   1419  O   TYR B 150      25.080 -14.895  15.434  1.00 31.59           O  \\nATOM   1420  CB  TYR B 150      26.882 -16.219  17.642  1.00 29.82           C  \\nATOM   1421  CG  TYR B 150      26.344 -17.589  17.340  1.00 27.73           C  \\nATOM   1422  CD1 TYR B 150      27.167 -18.695  17.392  1.00 25.66           C  \\nATOM   1423  CD2 TYR B 150      24.991 -17.776  16.991  1.00 27.13           C  \\nATOM   1424  CE1 TYR B 150      26.693 -19.971  17.096  1.00 24.61           C  \\nATOM   1425  CE2 TYR B 150      24.496 -19.033  16.701  1.00 25.02           C  \\nATOM   1426  CZ  TYR B 150      25.353 -20.134  16.771  1.00 26.95           C  \\nATOM   1427  OH  TYR B 150      24.875 -21.395  16.485  1.00 26.61           O  \\nATOM   1428  N   GLY B 151      26.388 -16.352  14.337  1.00 30.21           N  \\nATOM   1429  CA  GLY B 151      25.321 -16.701  13.419  1.00 30.02           C  \\nATOM   1430  C   GLY B 151      25.642 -16.719  11.939  1.00 30.10           C  \\nATOM   1431  O   GLY B 151      24.745 -16.956  11.125  1.00 30.49           O  \\nATOM   1432  N   ASN B 152      26.891 -16.444  11.579  1.00 29.52           N  \\nATOM   1433  CA  ASN B 152      27.312 -16.584  10.193  1.00 29.97           C  \\nATOM   1434  C   ASN B 152      28.469 -17.559  10.145  1.00 30.52           C  \\nATOM   1435  O   ASN B 152      29.526 -17.304  10.746  1.00 30.56           O  \\nATOM   1436  CB  ASN B 152      27.677 -15.221   9.567  1.00 29.90           C  \\nATOM   1437  CG  ASN B 152      28.039 -15.323   8.083  1.00 31.22           C  \\nATOM   1438  ND2 ASN B 152      28.837 -14.391   7.612  1.00 33.77           N  \\nATOM   1439  OD1 ASN B 152      27.602 -16.226   7.378  1.00 34.67           O  \\nATOM   1440  N   GLY B 153      28.271 -18.683   9.462  1.00 30.71           N  \\nATOM   1441  CA  GLY B 153      29.289 -19.729   9.470  1.00 32.36           C  \\nATOM   1442  C   GLY B 153      29.237 -20.787   8.388  1.00 33.67           C  \\nATOM   1443  O   GLY B 153      28.806 -20.517   7.260  1.00 34.06           O  \\nATOM   1444  N   VAL B 154      29.720 -21.985   8.719  1.00 34.50           N  \\nATOM   1445  CA  VAL B 154      29.803 -23.091   7.754  1.00 35.69           C  \\nATOM   1446  C   VAL B 154      29.335 -24.387   8.374  1.00 36.29           C  \\nATOM   1447  O   VAL B 154      29.219 -24.489   9.585  1.00 36.24           O  \\nATOM   1448  CB  VAL B 154      31.256 -23.324   7.248  1.00 36.83           C  \\nATOM   1449  CG1 VAL B 154      31.782 -22.101   6.528  1.00 35.82           C  \\nATOM   1450  CG2 VAL B 154      32.191 -23.725   8.408  1.00 36.83           C  \\nATOM   1451  N   VAL B 155      29.083 -25.382   7.537  1.00 37.74           N  \\nATOM   1452  CA  VAL B 155      28.795 -26.727   8.005  1.00 38.49           C  \\nATOM   1453  C   VAL B 155      30.005 -27.595   7.689  1.00 40.16           C  \\nATOM   1454  O   VAL B 155      30.549 -27.506   6.584  1.00 41.19           O  \\nATOM   1455  CB  VAL B 155      27.511 -27.275   7.352  1.00 39.19           C  \\nATOM   1456  CG1 VAL B 155      27.251 -28.732   7.765  1.00 40.59           C  \\nATOM   1457  CG2 VAL B 155      26.308 -26.380   7.720  1.00 36.78           C  \\nATOM   1458  N   THR B 156      30.453 -28.406   8.654  1.00 40.71           N  \\nATOM   1459  CA  THR B 156      31.609 -29.285   8.423  1.00 42.22           C  \\nATOM   1460  C   THR B 156      31.236 -30.505   7.611  1.00 43.97           C  \\nATOM   1461  O   THR B 156      30.053 -30.758   7.357  1.00 43.43           O  \\nATOM   1462  CB  THR B 156      32.265 -29.798   9.724  1.00 42.44           C  \\nATOM   1463  CG2 THR B 156      32.830 -28.642  10.526  1.00 41.68           C  \\nATOM   1464  OG1 THR B 156      31.302 -30.528  10.501  1.00 42.55           O  \\nATOM   1465  N   LYS B 157      32.264 -31.263   7.223  1.00 45.80           N  \\nATOM   1466  CA  LYS B 157      32.083 -32.529   6.516  1.00 48.06           C  \\nATOM   1467  C   LYS B 157      31.419 -33.582   7.417  1.00 48.02           C  \\nATOM   1468  O   LYS B 157      30.958 -34.613   6.939  1.00 49.41           O  \\nATOM   1469  CB  LYS B 157      33.412 -33.030   5.930  1.00 50.03           C  \\nATOM   1470  CG  LYS B 157      34.504 -33.338   6.970  1.00 52.79           C  \\nATOM   1471  CD  LYS B 157      35.549 -34.307   6.417  1.00 59.19           C  \\nATOM   1472  CE  LYS B 157      36.385 -34.899   7.545  1.00 62.36           C  \\nATOM   1473  NZ  LYS B 157      36.882 -36.270   7.197  1.00 66.63           N1+\\nATOM   1474  N   ASN B 158      31.349 -33.299   8.715  1.00 46.65           N  \\nATOM   1475  CA  ASN B 158      30.645 -34.168   9.655  1.00 46.69           C  \\nATOM   1476  C   ASN B 158      29.247 -33.679  10.021  1.00 44.69           C  \\nATOM   1477  O   ASN B 158      28.598 -34.263  10.890  1.00 44.51           O  \\nATOM   1478  CB  ASN B 158      31.464 -34.367  10.926  1.00 47.22           C  \\nATOM   1479  CG  ASN B 158      32.774 -35.062  10.669  1.00 51.18           C  \\nATOM   1480  ND2 ASN B 158      32.809 -35.959   9.678  1.00 51.47           N  \\nATOM   1481  OD1 ASN B 158      33.759 -34.787  11.354  1.00 56.81           O  \\nATOM   1482  N   GLY B 159      28.795 -32.606   9.367  1.00 42.69           N  \\nATOM   1483  CA  GLY B 159      27.437 -32.082   9.561  1.00 40.85           C  \\nATOM   1484  C   GLY B 159      27.324 -31.082  10.689  1.00 38.94           C  \\nATOM   1485  O   GLY B 159      26.222 -30.641  11.053  1.00 38.26           O  \\nATOM   1486  N   GLY B 160      28.466 -30.710  11.244  1.00 37.72           N  \\nATOM   1487  CA  GLY B 160      28.479 -29.819  12.390  1.00 36.63           C  \\nATOM   1488  C   GLY B 160      28.415 -28.360  11.980  1.00 35.18           C  \\nATOM   1489  O   GLY B 160      28.976 -27.961  10.955  1.00 35.66           O  \\nATOM   1490  N   TYR B 161      27.725 -27.562  12.781  1.00 33.37           N  \\nATOM   1491  CA  TYR B 161      27.603 -26.161  12.483  1.00 31.29           C  \\nATOM   1492  C   TYR B 161      28.643 -25.373  13.254  1.00 31.23           C  \\nATOM   1493  O   TYR B 161      28.805 -25.581  14.457  1.00 31.74           O  \\nATOM   1494  CB  TYR B 161      26.223 -25.637  12.830  1.00 29.21           C  \\nATOM   1495  CG  TYR B 161      26.132 -24.176  12.520  1.00 23.95           C  \\nATOM   1496  CD1 TYR B 161      25.985 -23.743  11.223  1.00 22.67           C  \\nATOM   1497  CD2 TYR B 161      26.230 -23.228  13.519  1.00 21.71           C  \\nATOM   1498  CE1 TYR B 161      25.902 -22.390  10.913  1.00 18.17           C  \\nATOM   1499  CE2 TYR B 161      26.167 -21.881  13.233  1.00 20.40           C  \\nATOM   1500  CZ  TYR B 161      25.997 -21.472  11.912  1.00 18.55           C  \\nATOM   1501  OH  TYR B 161      25.933 -20.126  11.611  1.00 19.77           O  \\nATOM   1502  N   VAL B 162      29.293 -24.438  12.562  1.00 30.46           N  \\nATOM   1503  CA  VAL B 162      30.437 -23.699  13.103  1.00 30.09           C  \\nATOM   1504  C   VAL B 162      30.395 -22.225  12.652  1.00 30.18           C  \\nATOM   1505  O   VAL B 162      30.623 -21.921  11.472  1.00 29.64           O  \\nATOM   1506  CB  VAL B 162      31.759 -24.296  12.620  1.00 31.28           C  \\nATOM   1507  CG1 VAL B 162      32.954 -23.635  13.361  1.00 30.52           C  \\nATOM   1508  CG2 VAL B 162      31.767 -25.805  12.789  1.00 30.10           C  \\nATOM   1509  N   SER B 163      30.114 -21.333  13.607  1.00 29.67           N  \\nATOM   1510  CA  SER B 163      29.978 -19.909  13.366  1.00 29.54           C  \\nATOM   1511  C   SER B 163      31.298 -19.179  13.463  1.00 30.60           C  \\nATOM   1512  O   SER B 163      32.145 -19.509  14.326  1.00 31.19           O  \\nATOM   1513  CB  SER B 163      29.063 -19.309  14.414  1.00 28.24           C  \\nATOM   1514  OG  SER B 163      29.009 -17.904  14.257  1.00 28.94           O  \\nATOM   1515  N   GLY B 164      31.468 -18.164  12.613  1.00 30.28           N  \\nATOM   1516  CA  GLY B 164      32.618 -17.292  12.756  1.00 31.15           C  \\nATOM   1517  C   GLY B 164      32.296 -16.363  13.907  1.00 31.40           C  \\nATOM   1518  O   GLY B 164      31.132 -16.267  14.334  1.00 29.84           O  \\nATOM   1519  N   ILE B 165      33.323 -15.700  14.423  1.00 32.62           N  \\nATOM   1520  CA  ILE B 165      33.115 -14.584  15.335  1.00 33.99           C  \\nATOM   1521  C   ILE B 165      32.990 -13.346  14.425  1.00 35.31           C  \\nATOM   1522  O   ILE B 165      33.997 -12.853  13.889  1.00 36.20           O  \\nATOM   1523  CB  ILE B 165      34.283 -14.446  16.390  1.00 34.85           C  \\nATOM   1524  CG1 ILE B 165      34.492 -15.761  17.150  1.00 34.19           C  \\nATOM   1525  CG2 ILE B 165      34.027 -13.277  17.386  1.00 34.76           C  \\nATOM   1526  CD1 ILE B 165      35.563 -15.731  18.214  1.00 33.78           C  \\nATOM   1527  N   ALA B 166      31.761 -12.886  14.194  1.00 35.34           N  \\nATOM   1528  CA  ALA B 166      31.563 -11.731  13.318  1.00 37.14           C  \\nATOM   1529  C   ALA B 166      31.911 -10.421  14.039  1.00 38.74           C  \\nATOM   1530  O   ALA B 166      31.257 -10.037  15.004  1.00 38.53           O  \\nATOM   1531  CB  ALA B 166      30.143 -11.702  12.741  1.00 35.70           C  \\nATOM   1532  N   GLN B 167      32.973  -9.770  13.581  1.00 41.43           N  \\nATOM   1533  CA  GLN B 167      33.446  -8.519  14.183  1.00 44.47           C  \\nATOM   1534  C   GLN B 167      34.026  -7.589  13.104  1.00 47.11           C  \\nATOM   1535  O   GLN B 167      34.456  -8.043  12.045  1.00 46.95           O  \\nATOM   1536  CB  GLN B 167      34.484  -8.808  15.290  1.00 44.19           C  \\nATOM   1537  CG  GLN B 167      35.004  -7.601  16.100  1.00 44.05           C  \\nATOM   1538  CD  GLN B 167      33.909  -6.792  16.790  1.00 42.41           C  \\nATOM   1539  NE2 GLN B 167      33.973  -6.703  18.110  1.00 40.63           N  \\nATOM   1540  OE1 GLN B 167      33.040  -6.225  16.133  1.00 43.42           O  \\nATOM   1541  N   THR B 168      34.015  -6.290  13.364  1.00 50.54           N  \\nATOM   1542  CA  THR B 168      34.654  -5.359  12.444  1.00 54.66           C  \\nATOM   1543  C   THR B 168      35.857  -4.704  13.134  1.00 58.31           C  \\nATOM   1544  O   THR B 168      36.723  -5.414  13.684  1.00 59.41           O  \\nATOM   1545  CB  THR B 168      33.629  -4.361  11.810  1.00 54.13           C  \\nATOM   1546  CG2 THR B 168      33.078  -3.401  12.818  1.00 53.30           C  \\nATOM   1547  OG1 THR B 168      34.256  -3.632  10.746  1.00 56.94           O  \\nATOM   1548  N   ASN B 169      35.919  -3.372  13.074  1.00 61.89           N  \\nATOM   1549  CA  ASN B 169      36.844  -2.529  13.854  1.00 65.58           C  \\nATOM   1550  C   ASN B 169      36.139  -1.192  14.133  1.00 67.40           C  \\nATOM   1551  O   ASN B 169      35.816  -0.463  13.194  1.00 68.27           O  \\nATOM   1552  CB  ASN B 169      38.168  -2.317  13.105  1.00 66.90           C  \\nATOM   1553  CG  ASN B 169      38.987  -3.594  13.003  1.00 67.37           C  \\nATOM   1554  ND2 ASN B 169      38.679  -4.424  12.011  1.00 66.84           N  \\nATOM   1555  OD1 ASN B 169      39.864  -3.844  13.828  1.00 69.60           O  \\nATOM   1556  N   ALA B 170      35.899  -0.889  15.413  1.00 69.15           N  \\nATOM   1557  CA  ALA B 170      34.911   0.134  15.837  1.00 70.77           C  \\nATOM   1558  C   ALA B 170      35.224   1.605  15.513  1.00 73.32           C  \\nATOM   1559  O   ALA B 170      36.387   2.020  15.549  1.00 74.98           O  \\nATOM   1560  CB  ALA B 170      34.616  -0.011  17.325  1.00 70.84           C  \\nATOM   1561  N   GLU B 171      34.163   2.374  15.226  1.00 74.27           N  \\nATOM   1562  CA  GLU B 171      34.214   3.825  14.927  1.00 76.70           C  \\nATOM   1563  C   GLU B 171      34.565   4.100  13.458  1.00 77.19           C  \\nATOM   1564  O   GLU B 171      35.734   4.246  13.088  1.00 78.35           O  \\nATOM   1565  CB  GLU B 171      35.138   4.591  15.908  1.00 78.66           C  \\nATOM   1566  CG  GLU B 171      35.404   6.082  15.578  1.00 82.20           C  \\nATOM   1567  CD  GLU B 171      34.361   7.046  16.155  1.00 84.79           C  \\nATOM   1568  OE1 GLU B 171      33.447   6.594  16.887  1.00 85.33           O  \\nATOM   1569  OE2 GLU B 171      34.463   8.263  15.878  1.00 85.84           O1-\\nATOM   1570  N   UNL A   1      22.101 -21.059   7.340  0.00  0.00           N  \\nATOM   1571  C6  UNL A   1      21.436 -21.685   8.411  0.00  0.00           C  \\nATOM   1572  N1  UNL A   1      20.771 -20.835   9.308  0.00  0.00           N  \\nATOM   1573  C7  UNL A   1      20.428 -19.520   9.030  0.00  0.00           C  \\nATOM   1574  C8  UNL A   1      21.159 -18.927   7.896  0.00  0.00           C  \\nATOM   1575  C9  UNL A   1      21.766 -19.792   6.861  0.00  0.00           C  \\nATOM   1576  S   UNL A   1      21.354 -23.383   8.589  0.00  0.00           S  \\nATOM   1577  O   UNL A   1      21.955 -19.389   5.717  0.00  0.00           O  \\nATOM   1578  O1  UNL A   1      19.625 -18.860   9.690  0.00  0.00           O  \\nATOM   1579  C16 UNL A   1      21.385 -17.603   7.996  0.00  0.00           C  \\nATOM   1580  C17 UNL A   1      22.145 -16.770   7.065  0.00  0.00           C  \\nATOM   1581  C19 UNL A   1      23.516 -16.635   7.284  0.00  0.00           C  \\nATOM   1582  C18 UNL A   1      24.295 -15.847   6.434  0.00  0.00           C  \\nATOM   1583  C20 UNL A   1      23.699 -15.197   5.360  0.00  0.00           C  \\nATOM   1584  C22 UNL A   1      22.329 -15.342   5.117  0.00  0.00           C  \\nATOM   1585  C21 UNL A   1      21.548 -16.131   5.972  0.00  0.00           C  \\nATOM   1586  O2  UNL A   1      24.390 -14.337   4.470  0.00  0.00           O  \\nATOM   1587  C23 UNL A   1      25.166 -13.233   4.842  0.00  0.00           C  \\nATOM   1588  C24 UNL A   1      24.367 -11.979   4.645  0.00  0.00           C  \\nATOM   1589  O3  UNL A   1      26.299 -13.242   5.303  0.00  0.00           O  \\nATOM   1590  C3  UNL A   1      23.344 -21.617   6.881  0.00  0.00           C  \\nATOM   1591  C5  UNL A   1      24.504 -21.387   7.649  0.00  0.00           C  \\nATOM   1592  C4  UNL A   1      25.741 -21.890   7.260  0.00  0.00           C  \\nATOM   1593  C   UNL A   1      25.840 -22.628   6.088  0.00  0.00           C  \\nATOM   1594  C2  UNL A   1      24.707 -22.841   5.300  0.00  0.00           C  \\nATOM   1595  C1  UNL A   1      23.465 -22.323   5.682  0.00  0.00           C  \\nATOM   1596  C10 UNL A   1      21.010 -21.069  10.700  0.00  0.00           C  \\nATOM   1597  C12 UNL A   1      20.031 -21.615  11.525  0.00  0.00           C  \\nATOM   1598  C11 UNL A   1      20.326 -21.838  12.872  0.00  0.00           C  \\nATOM   1599  C13 UNL A   1      21.578 -21.495  13.390  0.00  0.00           C  \\nATOM   1600  C15 UNL A   1      22.547 -20.924  12.570  0.00  0.00           C  \\nATOM   1601  C14 UNL A   1      22.264 -20.709  11.226  0.00  0.00           C  \\nCONECT    1    2\\nCONECT    2    3    5\\nCONECT    3    4    4    9\\nCONECT    5    6\\nCONECT    6    7    7    8\\nCONECT    9   10\\nCONECT   10   11   13\\nCONECT   11   12   12   17\\nCONECT   13   14\\nCONECT   14   15   16\\nCONECT   17   18\\nCONECT   18   19   21\\nCONECT   19   20   20   24\\nCONECT   21   22   23\\nCONECT   24   25\\nCONECT   25   26   28\\nCONECT   26   27   27   31\\nCONECT   28   29   30\\nCONECT   31   32\\nCONECT   32   33   35\\nCONECT   33   34   34   40\\nCONECT   35   36\\nCONECT   36   37\\nCONECT   37   38   38   39\\nCONECT   40   41\\nCONECT   41   42   44\\nCONECT   42   43   43   49\\nCONECT   44   45\\nCONECT   45   46\\nCONECT   46   47\\nCONECT   47   48\\nCONECT   49   50\\nCONECT   50   51   53\\nCONECT   51   52   52   54\\nCONECT   54   55\\nCONECT   55   56   58\\nCONECT   56   57   57   59\\nCONECT   59   60\\nCONECT   60   61   63\\nCONECT   61   62   62   67\\nCONECT   63   64\\nCONECT   64   65   65   66\\nCONECT   67   68\\nCONECT   68   69   71\\nCONECT   69   70   70   74\\nCONECT   71   72   73\\nCONECT   74   75\\nCONECT   75   76   78\\nCONECT   76   77   77   81\\nCONECT   78   79   80\\nCONECT   81   82\\nCONECT   82   83   85\\nCONECT   83   84   84   95\\nCONECT   85   86\\nCONECT   86   87   87   88\\nCONECT   87   91\\nCONECT   88   89   89   90\\nCONECT   89   91   92\\nCONECT   90   93   93\\nCONECT   92   94   94\\nCONECT   93   94\\nCONECT   95   96\\nCONECT   96   97   99\\nCONECT   97   98   98  104\\nCONECT   99  100\\nCONECT  100  101\\nCONECT  101  102  102  103\\nCONECT  104  105\\nCONECT  105  106  108\\nCONECT  106  107  107  113\\nCONECT  108  109\\nCONECT  109  110\\nCONECT  110  111  111  112\\nCONECT  113  114\\nCONECT  114  115  117\\nCONECT  115  116  116  122\\nCONECT  117  118\\nCONECT  118  119\\nCONECT  119  120  120  121\\nCONECT  122  123\\nCONECT  123  124  126\\nCONECT  124  125  125  127\\nCONECT  127  128\\nCONECT  128  129  131\\nCONECT  129  130  130  136\\nCONECT  131  132\\nCONECT  132  133\\nCONECT  133  134  134  135\\nCONECT  136  137\\nCONECT  137  138  140\\nCONECT  138  139  139  145\\nCONECT  140  141\\nCONECT  141  142\\nCONECT  142  143  144  144\\nCONECT  145  146\\nCONECT  146  147  149\\nCONECT  147  148  148  152\\nCONECT  149  150  151\\nCONECT  152  153\\nCONECT  153  154\\nCONECT  154  155  155  156\\nCONECT  156  157\\nCONECT  157  158  160\\nCONECT  158  159  159  163\\nCONECT  160  161  162\\nCONECT  163  164\\nCONECT  164  165  167\\nCONECT  165  166  166  169\\nCONECT  167  168\\nCONECT  169  170\\nCONECT  170  171  173\\nCONECT  171  172  172  179\\nCONECT  173  174\\nCONECT  174  175  175  176\\nCONECT  175  178\\nCONECT  176  177  177\\nCONECT  177  178\\nCONECT  179  180\\nCONECT  180  181  183\\nCONECT  181  182  182  187\\nCONECT  183  184\\nCONECT  184  185  186  186\\nCONECT  187  188\\nCONECT  188  189  191\\nCONECT  189  190  190  195\\nCONECT  191  192\\nCONECT  192  193  194\\nCONECT  195  196\\nCONECT  196  197  199\\nCONECT  197  198  198  203\\nCONECT  199  200\\nCONECT  200  201\\nCONECT  201  202\\nCONECT  203  204\\nCONECT  204  205  207\\nCONECT  205  206  206  211\\nCONECT  207  208  209\\nCONECT  208  210\\nCONECT  211  212\\nCONECT  212  213  215\\nCONECT  213  214  214  218\\nCONECT  215  216  217\\nCONECT  218  219\\nCONECT  219  220  222\\nCONECT  220  221  221  225\\nCONECT  222  223  224\\nCONECT  225  226\\nCONECT  226  227  229\\nCONECT  227  228  228  233\\nCONECT  229  230\\nCONECT  230  231  231  232\\nCONECT  233  234\\nCONECT  234  235  237\\nCONECT  235  236  236  241\\nCONECT  237  238\\nCONECT  238  239  239  240\\nCONECT  241  242\\nCONECT  242  243  245\\nCONECT  243  244  244  249\\nCONECT  245  246\\nCONECT  246  247  247  248\\nCONECT  249  250\\nCONECT  250  251\\nCONECT  251  252  252  253\\nCONECT  253  254\\nCONECT  254  255  257\\nCONECT  255  256  256  260\\nCONECT  257  258  259\\nCONECT  260  261\\nCONECT  261  262  264\\nCONECT  262  263  263  268\\nCONECT  264  265\\nCONECT  265  266\\nCONECT  266  267\\nCONECT  268  269\\nCONECT  269  270  272\\nCONECT  270  271  271  279\\nCONECT  272  273\\nCONECT  273  274\\nCONECT  274  275\\nCONECT  275  276\\nCONECT  276  277  278  278\\nCONECT  279  280\\nCONECT  280  281  283\\nCONECT  281  282  282  287\\nCONECT  283  284  285\\nCONECT  284  286\\nCONECT  287  288\\nCONECT  288  289  291\\nCONECT  289  290  290  296\\nCONECT  291  292\\nCONECT  292  293\\nCONECT  293  294\\nCONECT  294  295\\nCONECT  296  297\\nCONECT  297  298  300\\nCONECT  298  299  299\\nCONECT  300  301\\nCONECT  301  302  302  303\\nCONECT  304  305\\nCONECT  305  306\\nCONECT  306  307  307  308\\nCONECT  308  309\\nCONECT  309  310\\nCONECT  310  311  311  312\\nCONECT  312  313\\nCONECT  313  314  316\\nCONECT  314  315  315  318\\nCONECT  316  317\\nCONECT  318  319\\nCONECT  319  320\\nCONECT  320  321  321  322\\nCONECT  322  323\\nCONECT  323  324  326\\nCONECT  324  325  325  329\\nCONECT  326  327  328\\nCONECT  329  330\\nCONECT  330  331  333\\nCONECT  331  332  332  337\\nCONECT  333  334\\nCONECT  334  335  336\\nCONECT  337  338\\nCONECT  338  339  341\\nCONECT  339  340  340  351\\nCONECT  341  342\\nCONECT  342  343  343  344\\nCONECT  343  347\\nCONECT  344  345  345  346\\nCONECT  345  347  348\\nCONECT  346  349  349\\nCONECT  348  350  350\\nCONECT  349  350\\nCONECT  351  352\\nCONECT  352  353  355\\nCONECT  353  354  354  359\\nCONECT  355  356\\nCONECT  356  357  357  358\\nCONECT  359  360\\nCONECT  360  361  363\\nCONECT  361  362  362  366\\nCONECT  363  364  365\\nCONECT  366  367  372\\nCONECT  367  368  370\\nCONECT  368  369  369  373\\nCONECT  370  371\\nCONECT  371  372\\nCONECT  373  374\\nCONECT  374  375  377\\nCONECT  375  376  376  379\\nCONECT  377  378\\nCONECT  379  380  385\\nCONECT  380  381  383\\nCONECT  381  382  382\\nCONECT  383  384\\nCONECT  384  385\\nCONECT  386  387\\nCONECT  387  388  390\\nCONECT  388  389  389  391\\nCONECT  391  392\\nCONECT  392  393  395\\nCONECT  393  394  394  400\\nCONECT  395  396\\nCONECT  396  397\\nCONECT  397  398  398  399\\nCONECT  400  401\\nCONECT  401  402  404\\nCONECT  402  403  403  408\\nCONECT  404  405\\nCONECT  405  406  407\\nCONECT  408  409\\nCONECT  409  410  412\\nCONECT  410  411  411  417\\nCONECT  412  413\\nCONECT  413  414\\nCONECT  414  415  415  416\\nCONECT  417  418\\nCONECT  418  419  421\\nCONECT  419  420  420  426\\nCONECT  421  422\\nCONECT  422  423\\nCONECT  423  424  424  425\\nCONECT  426  427\\nCONECT  427  428\\nCONECT  428  429  429  430\\nCONECT  430  431\\nCONECT  431  432  434\\nCONECT  432  433  433  437\\nCONECT  434  435  436\\nCONECT  437  438\\nCONECT  438  439  441\\nCONECT  439  440  440  449\\nCONECT  441  442\\nCONECT  442  443  443  444\\nCONECT  443  445\\nCONECT  444  446  446\\nCONECT  445  447  447\\nCONECT  446  447\\nCONECT  447  448\\nCONECT  449  450\\nCONECT  450  451  453\\nCONECT  451  452  452  460\\nCONECT  453  454\\nCONECT  454  455\\nCONECT  455  456\\nCONECT  456  457\\nCONECT  457  458  459  459\\nCONECT  460  461\\nCONECT  461  462  464\\nCONECT  462  463  463  468\\nCONECT  464  465  466\\nCONECT  465  467\\nCONECT  468  469\\nCONECT  469  470  472\\nCONECT  470  471  471  477\\nCONECT  472  473\\nCONECT  473  474\\nCONECT  474  475\\nCONECT  475  476\\nCONECT  477  478\\nCONECT  478  479  481\\nCONECT  479  480  480  486\\nCONECT  481  482\\nCONECT  482  483\\nCONECT  483  484  485  485\\nCONECT  486  487\\nCONECT  487  488  490\\nCONECT  488  489  489  495\\nCONECT  490  491\\nCONECT  491  492\\nCONECT  492  493  494  494\\nCONECT  495  496\\nCONECT  496  497\\nCONECT  497  498  498  499\\nCONECT  499  500\\nCONECT  500  501  503\\nCONECT  501  502  502  507\\nCONECT  503  504  505\\nCONECT  504  506\\nCONECT  507  508\\nCONECT  508  509  511\\nCONECT  509  510  510  518\\nCONECT  511  512\\nCONECT  512  513  513  514\\nCONECT  513  515\\nCONECT  514  516  516\\nCONECT  515  517  517\\nCONECT  516  517\\nCONECT  518  519\\nCONECT  519  520\\nCONECT  520  521  521  522\\nCONECT  522  523\\nCONECT  523  524  526\\nCONECT  524  525  525  531\\nCONECT  526  527\\nCONECT  527  528\\nCONECT  528  529\\nCONECT  529  530\\nCONECT  531  532\\nCONECT  532  533  535\\nCONECT  533  534  534  538\\nCONECT  535  536  537\\nCONECT  538  539\\nCONECT  539  540  542\\nCONECT  540  541  541  547\\nCONECT  542  543\\nCONECT  543  544\\nCONECT  544  545  546  546\\nCONECT  547  548\\nCONECT  548  549  551\\nCONECT  549  550  550  554\\nCONECT  551  552  553\\nCONECT  554  555\\nCONECT  555  556\\nCONECT  556  557  557  558\\nCONECT  558  559\\nCONECT  559  560  562\\nCONECT  560  561  561  565\\nCONECT  562  563  564\\nCONECT  565  566\\nCONECT  566  567\\nCONECT  567  568  568  569\\nCONECT  569  570\\nCONECT  570  571  573\\nCONECT  571  572  572  576\\nCONECT  573  574  575\\nCONECT  576  577\\nCONECT  577  578  580\\nCONECT  578  579  579  585\\nCONECT  580  581\\nCONECT  581  582\\nCONECT  582  583  584  584\\nCONECT  585  586\\nCONECT  586  587  589\\nCONECT  587  588  588  594\\nCONECT  589  590\\nCONECT  590  591\\nCONECT  591  592\\nCONECT  592  593\\nCONECT  594  595\\nCONECT  595  596  598\\nCONECT  596  597  597  603\\nCONECT  598  599\\nCONECT  599  600\\nCONECT  600  601  601  602\\nCONECT  603  604\\nCONECT  604  605\\nCONECT  605  606  606  607\\nCONECT  607  608\\nCONECT  608  609  611\\nCONECT  609  610  610  614\\nCONECT  611  612  613\\nCONECT  614  615\\nCONECT  615  616  618\\nCONECT  616  617  617  625\\nCONECT  618  619\\nCONECT  619  620  620  621\\nCONECT  620  622\\nCONECT  621  623  623\\nCONECT  622  624  624\\nCONECT  623  624\\nCONECT  625  626\\nCONECT  626  627  629\\nCONECT  627  628  628  635\\nCONECT  629  630\\nCONECT  630  631  631  632\\nCONECT  631  634\\nCONECT  632  633  633\\nCONECT  633  634\\nCONECT  635  636\\nCONECT  636  637  639\\nCONECT  637  638  638  642\\nCONECT  639  640  641\\nCONECT  642  643\\nCONECT  643  644  646\\nCONECT  644  645  645  650\\nCONECT  646  647\\nCONECT  647  648\\nCONECT  648  649\\nCONECT  650  651\\nCONECT  651  652  654\\nCONECT  652  653  653  664\\nCONECT  654  655\\nCONECT  655  656  656  657\\nCONECT  656  660\\nCONECT  657  658  658  659\\nCONECT  658  660  661\\nCONECT  659  662  662\\nCONECT  661  663  663\\nCONECT  662  663\\nCONECT  664  665\\nCONECT  665  666  668\\nCONECT  666  667  667  674\\nCONECT  668  669\\nCONECT  669  670  670  671\\nCONECT  670  673\\nCONECT  671  672  672\\nCONECT  672  673\\nCONECT  674  675\\nCONECT  675  676  678\\nCONECT  676  677  677  681\\nCONECT  678  679  680\\nCONECT  681  682\\nCONECT  682  683  685\\nCONECT  683  684  684  688\\nCONECT  685  686  687\\nCONECT  688  689\\nCONECT  689  690  692\\nCONECT  690  691  691  699\\nCONECT  692  693\\nCONECT  693  694\\nCONECT  694  695\\nCONECT  695  696\\nCONECT  696  697  698  698\\nCONECT  699  700\\nCONECT  700  701\\nCONECT  701  702  702  703\\nCONECT  703  704\\nCONECT  704  705  707\\nCONECT  705  706  706  708\\nCONECT  708  709\\nCONECT  709  710  712\\nCONECT  710  711  711  715\\nCONECT  712  713  714\\nCONECT  715  716\\nCONECT  716  717  719\\nCONECT  717  718  718  723\\nCONECT  719  720\\nCONECT  720  721  722\\nCONECT  723  724\\nCONECT  724  725  727\\nCONECT  725  726  726  730\\nCONECT  727  728  729\\nCONECT  730  731\\nCONECT  731  732  734\\nCONECT  732  733  733  740\\nCONECT  734  735\\nCONECT  735  736  736  737\\nCONECT  736  739\\nCONECT  737  738  738\\nCONECT  738  739\\nCONECT  740  741\\nCONECT  741  742  744\\nCONECT  742  743  743  748\\nCONECT  744  745\\nCONECT  745  746  747  747\\nCONECT  748  749\\nCONECT  749  750\\nCONECT  750  751  751  752\\nCONECT  752  753\\nCONECT  753  754  756\\nCONECT  754  755  755  761\\nCONECT  756  757\\nCONECT  757  758\\nCONECT  758  759\\nCONECT  759  760\\nCONECT  761  762\\nCONECT  762  763  765\\nCONECT  763  764  764  772\\nCONECT  765  766\\nCONECT  766  767\\nCONECT  767  768\\nCONECT  768  769\\nCONECT  769  770  771  771\\nCONECT  772  773\\nCONECT  773  774  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1023\\nCONECT 1023 1024 1026\\nCONECT 1024 1025 1025 1031\\nCONECT 1026 1027\\nCONECT 1027 1028\\nCONECT 1028 1029 1030 1030\\nCONECT 1031 1032\\nCONECT 1032 1033 1035\\nCONECT 1033 1034 1034 1038\\nCONECT 1035 1036 1037\\nCONECT 1038 1039\\nCONECT 1039 1040 1042\\nCONECT 1040 1041 1041 1046\\nCONECT 1042 1043 1044\\nCONECT 1043 1045\\nCONECT 1046 1047\\nCONECT 1047 1048 1050\\nCONECT 1048 1049 1049 1051\\nCONECT 1051 1052\\nCONECT 1052 1053 1055\\nCONECT 1053 1054 1054 1058\\nCONECT 1055 1056 1057\\nCONECT 1058 1059\\nCONECT 1059 1060 1062\\nCONECT 1060 1061 1061 1067\\nCONECT 1062 1063\\nCONECT 1063 1064\\nCONECT 1064 1065 1065 1066\\nCONECT 1067 1068 1073\\nCONECT 1068 1069 1071\\nCONECT 1069 1070 1070 1074\\nCONECT 1071 1072\\nCONECT 1072 1073\\nCONECT 1074 1075\\nCONECT 1075 1076\\nCONECT 1076 1077 1077 1078\\nCONECT 1078 1079\\nCONECT 1079 1080 1082\\nCONECT 1080 1081 1081 1087\\nCONECT 1082 1083\\nCONECT 1083 1084\\nCONECT 1084 1085\\nCONECT 1085 1086\\nCONECT 1087 1088\\nCONECT 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1215\\nCONECT 1215 1216 1216 1217\\nCONECT 1217 1218\\nCONECT 1218 1219 1221\\nCONECT 1219 1220 1220 1226\\nCONECT 1221 1222\\nCONECT 1222 1223\\nCONECT 1223 1224 1224 1225\\nCONECT 1226 1227\\nCONECT 1227 1228 1230\\nCONECT 1228 1229 1229 1234\\nCONECT 1230 1231 1232\\nCONECT 1231 1233\\nCONECT 1234 1235\\nCONECT 1235 1236\\nCONECT 1236 1237 1237 1238\\nCONECT 1238 1239\\nCONECT 1239 1240 1242\\nCONECT 1240 1241 1241 1243\\nCONECT 1243 1244\\nCONECT 1244 1245 1247\\nCONECT 1245 1246 1246 1251\\nCONECT 1247 1248 1249\\nCONECT 1248 1250\\nCONECT 1251 1252\\nCONECT 1252 1253 1255\\nCONECT 1253 1254 1254 1256\\nCONECT 1256 1257\\nCONECT 1257 1258 1260\\nCONECT 1258 1259 1259 1264\\nCONECT 1260 1261\\nCONECT 1261 1262 1263\\nCONECT 1264 1265\\nCONECT 1265 1266 1268\\nCONECT 1266 1267 1267 1272\\nCONECT 1268 1269\\nCONECT 1269 1270 1270 1271\\nCONECT 1272 1273\\nCONECT 1273 1274 1276\\nCONECT 1274 1275 1275 1283\\nCONECT 1276 1277\\nCONECT 1277 1278 1278 1279\\nCONECT 1278 1280\\nCONECT 1279 1281 1281\\nCONECT 1280 1282 1282\\nCONECT 1281 1282\\nCONECT 1283 1284\\nCONECT 1284 1285 1287\\nCONECT 1285 1286 1286 1292\\nCONECT 1287 1288\\nCONECT 1288 1289\\nCONECT 1289 1290\\nCONECT 1290 1291\\nCONECT 1292 1293 1298\\nCONECT 1293 1294 1296\\nCONECT 1294 1295 1295 1299\\nCONECT 1296 1297\\nCONECT 1297 1298\\nCONECT 1299 1300\\nCONECT 1300 1301\\nCONECT 1301 1302 1302 1303\\nCONECT 1303 1304\\nCONECT 1304 1305 1307\\nCONECT 1305 1306 1306 1310\\nCONECT 1307 1308 1309\\nCONECT 1310 1311\\nCONECT 1311 1312 1314\\nCONECT 1312 1313 1313 1316\\nCONECT 1314 1315\\nCONECT 1316 1317\\nCONECT 1317 1318\\nCONECT 1318 1319 1319 1320\\nCONECT 1320 1321\\nCONECT 1321 1322 1324\\nCONECT 1322 1323 1323 1326\\nCONECT 1324 1325\\nCONECT 1326 1327 1332\\nCONECT 1327 1328 1330\\nCONECT 1328 1329 1329 1333\\nCONECT 1330 1331\\nCONECT 1331 1332\\nCONECT 1333 1334\\nCONECT 1334 1335 1337\\nCONECT 1335 1336 1336 1341\\nCONECT 1337 1338 1339\\nCONECT 1338 1340\\nCONECT 1341 1342\\nCONECT 1342 1343 1345\\nCONECT 1343 1344 1344 1349\\nCONECT 1345 1346 1347\\nCONECT 1346 1348\\nCONECT 1349 1350\\nCONECT 1350 1351 1353\\nCONECT 1351 1352 1352 1357\\nCONECT 1353 1354\\nCONECT 1354 1355 1356 1356\\nCONECT 1357 1358\\nCONECT 1358 1359 1361\\nCONECT 1359 1360 1360 1368\\nCONECT 1361 1362\\nCONECT 1362 1363\\nCONECT 1363 1364\\nCONECT 1364 1365\\nCONECT 1365 1366 1367 1367\\nCONECT 1368 1369\\nCONECT 1369 1370 1372\\nCONECT 1370 1371 1371 1377\\nCONECT 1372 1373\\nCONECT 1373 1374\\nCONECT 1374 1375 1375 1376\\nCONECT 1377 1378\\nCONECT 1378 1379\\nCONECT 1379 1380 1380 1381\\nCONECT 1381 1382\\nCONECT 1382 1383 1385\\nCONECT 1383 1384 1384 1390\\nCONECT 1385 1386\\nCONECT 1386 1387\\nCONECT 1387 1388\\nCONECT 1388 1389\\nCONECT 1390 1391\\nCONECT 1391 1392 1394\\nCONECT 1392 1393 1393 1397\\nCONECT 1394 1395 1396\\nCONECT 1397 1398\\nCONECT 1398 1399 1401\\nCONECT 1399 1400 1400 1404\\nCONECT 1401 1402 1403\\nCONECT 1404 1405\\nCONECT 1405 1406\\nCONECT 1406 1407 1407 1408\\nCONECT 1408 1409\\nCONECT 1409 1410 1412\\nCONECT 1410 1411 1411 1416\\nCONECT 1412 1413\\nCONECT 1413 1414 1415\\nCONECT 1416 1417\\nCONECT 1417 1418 1420\\nCONECT 1418 1419 1419 1428\\nCONECT 1420 1421\\nCONECT 1421 1422 1422 1423\\nCONECT 1422 1424\\nCONECT 1423 1425 1425\\nCONECT 1424 1426 1426\\nCONECT 1425 1426\\nCONECT 1426 1427\\nCONECT 1428 1429\\nCONECT 1429 1430\\nCONECT 1430 1431 1431 1432\\nCONECT 1432 1433\\nCONECT 1433 1434 1436\\nCONECT 1434 1435 1435 1440\\nCONECT 1436 1437\\nCONECT 1437 1438 1439 1439\\nCONECT 1440 1441\\nCONECT 1441 1442\\nCONECT 1442 1443 1443 1444\\nCONECT 1444 1445\\nCONECT 1445 1446 1448\\nCONECT 1446 1447 1447 1451\\nCONECT 1448 1449 1450\\nCONECT 1451 1452\\nCONECT 1452 1453 1455\\nCONECT 1453 1454 1454 1458\\nCONECT 1455 1456 1457\\nCONECT 1458 1459\\nCONECT 1459 1460 1462\\nCONECT 1460 1461 1461 1465\\nCONECT 1462 1463 1464\\nCONECT 1465 1466\\nCONECT 1466 1467 1469\\nCONECT 1467 1468 1468 1474\\nCONECT 1469 1470\\nCONECT 1470 1471\\nCONECT 1471 1472\\nCONECT 1472 1473\\nCONECT 1474 1475\\nCONECT 1475 1476 1478\\nCONECT 1476 1477 1477 1482\\nCONECT 1478 1479\\nCONECT 1479 1480 1481 1481\\nCONECT 1482 1483\\nCONECT 1483 1484\\nCONECT 1484 1485 1485 1486\\nCONECT 1486 1487\\nCONECT 1487 1488\\nCONECT 1488 1489 1489 1490\\nCONECT 1490 1491\\nCONECT 1491 1492 1494\\nCONECT 1492 1493 1493 1502\\nCONECT 1494 1495\\nCONECT 1495 1496 1496 1497\\nCONECT 1496 1498\\nCONECT 1497 1499 1499\\nCONECT 1498 1500 1500\\nCONECT 1499 1500\\nCONECT 1500 1501\\nCONECT 1502 1503\\nCONECT 1503 1504 1506\\nCONECT 1504 1505 1505 1509\\nCONECT 1506 1507 1508\\nCONECT 1509 1510\\nCONECT 1510 1511 1513\\nCONECT 1511 1512 1512 1515\\nCONECT 1513 1514\\nCONECT 1515 1516\\nCONECT 1516 1517\\nCONECT 1517 1518 1518 1519\\nCONECT 1519 1520\\nCONECT 1520 1521 1523\\nCONECT 1521 1522 1522 1527\\nCONECT 1523 1524 1525\\nCONECT 1524 1526\\nCONECT 1527 1528\\nCONECT 1528 1529 1531\\nCONECT 1529 1530 1530 1532\\nCONECT 1532 1533\\nCONECT 1533 1534 1536\\nCONECT 1534 1535 1535 1541\\nCONECT 1536 1537\\nCONECT 1537 1538\\nCONECT 1538 1539 1540 1540\\nCONECT 1541 1542\\nCONECT 1542 1543 1545\\nCONECT 1543 1544 1544 1548\\nCONECT 1545 1546 1547\\nCONECT 1548 1549\\nCONECT 1549 1550 1552\\nCONECT 1550 1551 1551 1556\\nCONECT 1552 1553\\nCONECT 1553 1554 1555 1555\\nCONECT 1556 1557\\nCONECT 1557 1558 1560\\nCONECT 1558 1559 1559 1561\\nCONECT 1561 1562\\nCONECT 1562 1563 1565\\nCONECT 1563 1564 1564\\nCONECT 1565 1566\\nCONECT 1566 1567\\nCONECT 1567 1568 1568 1569\\nCONECT 1570 1571 1575 1590\\nCONECT 1571 1572 1576\\nCONECT 1572 1573 1596\\nCONECT 1573 1574 1578\\nCONECT 1574 1575 1579\\nCONECT 1575 1577\\nCONECT 1579 1580\\nCONECT 1580 1581 1585\\nCONECT 1581 1582\\nCONECT 1582 1583\\nCONECT 1583 1584 1586\\nCONECT 1584 1585\\nCONECT 1586 1587\\nCONECT 1587 1588 1589\\nCONECT 1590 1591 1595\\nCONECT 1591 1592\\nCONECT 1592 1593\\nCONECT 1593 1594\\nCONECT 1594 1595\\nCONECT 1596 1597 1601\\nCONECT 1597 1598\\nCONECT 1598 1599\\nCONECT 1599 1600\\nCONECT 1600 1601\\nEND\\n\",\"pdb\");\n\tviewer_16822572947611911.setStyle({\"chain\": [\"A\", \"B\"]},{\"cartoon\": {\"color\": \"green\"}});\n\tviewer_16822572947611911.addStyle({\"chain\": \"B\", \"resi\": [51, 75, 135]},{\"stick\": {\"colorscheme\": \"skyblueCarbon\"}});\n\tviewer_16822572947611911.addSurface(1,{\"opacity\": 0.8},{\"resn\": \"UNL\"});\n\tviewer_16822572947611911.setStyle({\"resn\": \"UNL\"},{\"stick\": {}});\n\tviewer_16822572947611911.zoomTo();\nviewer_16822572947611911.render();\n});\n</script>",
            "text/html": [
              "<div id=\"3dmolviewer_16822572947611911\"  style=\"position: relative; width: 600px; height: 600px\">\n",
              "        <p id=\"3dmolwarning_16822572947611911\" 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",
              "\n",
              "var 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",
              "\n",
              "if(typeof $3Dmolpromise === 'undefined') {\n",
              "$3Dmolpromise = null;\n",
              "  $3Dmolpromise = loadScriptAsync('https://cdnjs.cloudflare.com/ajax/libs/3Dmol/2.0.1/3Dmol-min.js');\n",
              "}\n",
              "\n",
              "var viewer_16822572947611911 = null;\n",
              "var warn = document.getElementById(\"3dmolwarning_16822572947611911\");\n",
              "if(warn) {\n",
              "    warn.parentNode.removeChild(warn);\n",
              "}\n",
              "$3Dmolpromise.then(function() {\n",
              "viewer_16822572947611911 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_16822572947611911\"),{backgroundColor:\"white\"});\n",
              "viewer_16822572947611911.zoomTo();\n",
              "\tviewer_16822572947611911.addModel(\"ATOM      1  N   ASP A  50       6.886  -4.713  10.549  1.00 65.94           N  \\nATOM      2  CA  ASP A  50       7.845  -3.806  11.248  1.00 64.98           C  \\nATOM      3  C   ASP A  50       8.508  -4.537  12.430  1.00 62.63           C  \\nATOM      4  O   ASP A  50       7.898  -5.423  13.032  1.00 63.05           O  \\nATOM      5  CB  ASP A  50       7.146  -2.511  11.685  1.00 66.87           C  \\nATOM      6  CG  ASP A  50       8.017  -1.267  11.465  1.00 68.22           C  \\nATOM      7  OD1 ASP A  50       9.140  -1.204  12.030  1.00 67.77           O  \\nATOM      8  OD2 ASP A  50       7.570  -0.351  10.729  1.00 69.97           O1-\\nATOM      9  N   LEU A  51       9.760  -4.189  12.730  1.00 60.07           N  \\nATOM     10  CA  LEU A  51      10.551  -4.934  13.712  1.00 57.24           C  \\nATOM     11  C   LEU A  51      10.592  -4.245  15.069  1.00 56.84           C  \\nATOM     12  O   LEU A  51      10.689  -3.020  15.157  1.00 57.09           O  \\nATOM     13  CB  LEU A  51      11.979  -5.179  13.205  1.00 55.78           C  \\nATOM     14  CG  LEU A  51      12.250  -6.074  11.987  1.00 54.47           C  \\nATOM     15  CD1 LEU A  51      13.717  -6.000  11.623  1.00 52.72           C  \\nATOM     16  CD2 LEU A  51      11.857  -7.523  12.233  1.00 53.53           C  \\nATOM     17  N   THR A  52      10.527  -5.061  16.117  1.00 55.68           N  \\nATOM     18  CA  THR A  52      10.525  -4.607  17.507  1.00 55.35           C  \\nATOM     19  C   THR A  52      11.729  -5.165  18.262  1.00 53.35           C  \\nATOM     20  O   THR A  52      12.413  -6.076  17.786  1.00 52.40           O  \\nATOM     21  CB  THR A  52       9.185  -4.964  18.195  1.00 56.95           C  \\nATOM     22  CG2 THR A  52       9.344  -5.211  19.697  1.00 57.60           C  \\nATOM     23  OG1 THR A  52       8.263  -3.881  18.000  1.00 59.52           O  \\nATOM     24  N   VAL A  53      11.995  -4.605  19.433  1.00 52.78           N  \\nATOM     25  CA  VAL A  53      13.184  -4.932  20.191  1.00 50.89           C  \\nATOM     26  C   VAL A  53      12.790  -5.088  21.663  1.00 51.45           C  \\nATOM     27  O   VAL A  53      12.137  -4.217  22.224  1.00 52.72           O  \\nATOM     28  CB  VAL A  53      14.252  -3.824  19.943  1.00 50.64           C  \\nATOM     29  CG1 VAL A  53      15.024  -3.484  21.172  1.00 51.07           C  \\nATOM     30  CG2 VAL A  53      15.176  -4.211  18.809  1.00 48.66           C  \\nATOM     31  N   GLU A  54      13.149  -6.211  22.281  1.00 50.29           N  \\nATOM     32  CA  GLU A  54      12.846  -6.399  23.696  1.00 50.84           C  \\nATOM     33  C   GLU A  54      14.024  -6.935  24.512  1.00 49.31           C  \\nATOM     34  O   GLU A  54      14.646  -7.934  24.159  1.00 47.75           O  \\nATOM     35  CB  GLU A  54      11.551  -7.200  23.896  1.00 51.87           C  \\nATOM     36  CG  GLU A  54      11.689  -8.703  23.982  1.00 53.50           C  \\nATOM     37  CD  GLU A  54      10.417  -9.381  24.495  1.00 58.29           C  \\nATOM     38  OE1 GLU A  54      10.519 -10.418  25.200  1.00 59.29           O  \\nATOM     39  OE2 GLU A  54       9.313  -8.875  24.194  1.00 60.50           O1-\\nATOM     40  N   LYS A  55      14.318  -6.231  25.596  1.00 49.81           N  \\nATOM     41  CA  LYS A  55      15.435  -6.521  26.496  1.00 49.61           C  \\nATOM     42  C   LYS A  55      15.433  -7.962  27.023  1.00 49.10           C  \\nATOM     43  O   LYS A  55      14.388  -8.498  27.398  1.00 49.80           O  \\nATOM     44  CB  LYS A  55      15.430  -5.512  27.656  1.00 51.67           C  \\nATOM     45  CG  LYS A  55      16.444  -5.782  28.764  1.00 53.15           C  \\nATOM     46  CD  LYS A  55      17.798  -5.138  28.513  1.00 52.59           C  \\nATOM     47  CE  LYS A  55      18.695  -5.400  29.717  1.00 54.63           C  \\nATOM     48  NZ  LYS A  55      19.546  -4.231  30.076  1.00 55.64           N1+\\nATOM     49  N   ALA A  56      16.608  -8.585  27.042  1.00 47.34           N  \\nATOM     50  CA  ALA A  56      16.692  -9.984  27.402  1.00 47.02           C  \\nATOM     51  C   ALA A  56      17.664 -10.247  28.531  1.00 47.52           C  \\nATOM     52  O   ALA A  56      17.369 -11.035  29.425  1.00 48.03           O  \\nATOM     53  CB  ALA A  56      17.063 -10.823  26.188  1.00 45.30           C  \\nATOM     54  N   ALA A  57      18.831  -9.614  28.472  1.00 47.40           N  \\nATOM     55  CA  ALA A  57      19.878  -9.857  29.450  1.00 48.38           C  \\nATOM     56  C   ALA A  57      20.936  -8.768  29.396  1.00 49.22           C  \\nATOM     57  O   ALA A  57      20.924  -7.918  28.499  1.00 48.59           O  \\nATOM     58  CB  ALA A  57      20.517 -11.220  29.217  1.00 47.05           C  \\nATOM     59  N   ASP A  58      21.845  -8.804  30.367  1.00 50.95           N  \\nATOM     60  CA  ASP A  58      22.977  -7.903  30.407  1.00 52.21           C  \\nATOM     61  C   ASP A  58      24.199  -8.608  29.832  1.00 51.46           C  \\nATOM     62  O   ASP A  58      24.271  -9.834  29.816  1.00 50.73           O  \\nATOM     63  CB  ASP A  58      23.244  -7.450  31.837  1.00 54.35           C  \\nATOM     64  CG  ASP A  58      22.032  -6.781  32.479  1.00 57.96           C  \\nATOM     65  OD1 ASP A  58      21.537  -5.747  31.958  1.00 60.34           O  \\nATOM     66  OD2 ASP A  58      21.585  -7.283  33.532  1.00 61.68           O1-\\nATOM     67  N   VAL A  59      25.159  -7.818  29.361  1.00 51.93           N  \\nATOM     68  CA  VAL A  59      26.402  -8.342  28.806  1.00 51.47           C  \\nATOM     69  C   VAL A  59      27.371  -8.648  29.947  1.00 52.93           C  \\nATOM     70  O   VAL A  59      28.218  -7.826  30.311  1.00 54.27           O  \\nATOM     71  CB  VAL A  59      27.017  -7.351  27.785  1.00 51.18           C  \\nATOM     72  CG1 VAL A  59      28.341  -7.871  27.245  1.00 51.14           C  \\nATOM     73  CG2 VAL A  59      26.045  -7.102  26.641  1.00 49.80           C  \\nATOM     74  N   THR A  60      27.234  -9.839  30.516  1.00 53.06           N  \\nATOM     75  CA  THR A  60      28.019 -10.220  31.680  1.00 54.65           C  \\nATOM     76  C   THR A  60      28.498 -11.657  31.566  1.00 53.64           C  \\nATOM     77  O   THR A  60      27.740 -12.545  31.181  1.00 52.52           O  \\nATOM     78  CB  THR A  60      27.218 -10.031  33.009  1.00 56.79           C  \\nATOM     79  CG2 THR A  60      27.313  -8.588  33.521  1.00 58.74           C  \\nATOM     80  OG1 THR A  60      25.836 -10.335  32.787  1.00 57.23           O  \\nATOM     81  N   TRP A  61      29.768 -11.866  31.896  1.00 54.07           N  \\nATOM     82  CA  TRP A  61      30.384 -13.182  31.957  1.00 53.78           C  \\nATOM     83  C   TRP A  61      29.875 -13.914  33.193  1.00 55.30           C  \\nATOM     84  O   TRP A  61      30.037 -13.379  34.289  1.00 57.23           O  \\nATOM     85  CB  TRP A  61      31.889 -12.959  32.077  1.00 54.41           C  \\nATOM     86  CG  TRP A  61      32.745 -14.175  32.125  1.00 53.97           C  \\nATOM     87  CD1 TRP A  61      33.064 -14.906  33.228  1.00 54.41           C  \\nATOM     88  CD2 TRP A  61      33.447 -14.777  31.026  1.00 52.46           C  \\nATOM     89  CE2 TRP A  61      34.159 -15.881  31.542  1.00 52.74           C  \\nATOM     90  CE3 TRP A  61      33.541 -14.492  29.656  1.00 50.42           C  \\nATOM     91  NE1 TRP A  61      33.909 -15.932  32.888  1.00 53.79           N  \\nATOM     92  CZ2 TRP A  61      34.951 -16.708  30.736  1.00 51.57           C  \\nATOM     93  CZ3 TRP A  61      34.332 -15.312  28.854  1.00 49.96           C  \\nATOM     94  CH2 TRP A  61      35.025 -16.408  29.399  1.00 50.68           C  \\nATOM     95  N   GLU A  62      29.235 -15.087  33.057  1.00 54.50           N  \\nATOM     96  CA AGLU A  62      28.880 -15.846  34.258  0.50 56.20           C  \\nATOM     97  C   GLU A  62      29.941 -16.877  34.625  1.00 56.78           C  \\nATOM     98  O   GLU A  62      30.438 -17.622  33.778  1.00 55.13           O  \\nATOM     99  CB AGLU A  62      27.436 -16.401  34.272  0.50 55.89           C  \\nATOM    100  CG AGLU A  62      26.891 -16.966  32.975  0.50 55.13           C  \\nATOM    101  CD AGLU A  62      25.357 -17.085  32.971  0.50 56.34           C  \\nATOM    102  OE1AGLU A  62      24.823 -18.046  32.362  0.50 55.24           O  \\nATOM    103  OE2AGLU A  62      24.687 -16.217  33.579  0.50 57.15           O1-\\nATOM    104  N   GLU A  63      30.289 -16.876  35.909  1.00 59.31           N  \\nATOM    105  CA  GLU A  63      31.418 -17.630  36.454  1.00 60.91           C  \\nATOM    106  C   GLU A  63      31.374 -19.158  36.309  1.00 60.10           C  \\nATOM    107  O   GLU A  63      32.360 -19.777  35.898  1.00 60.31           O  \\nATOM    108  CB  GLU A  63      31.642 -17.219  37.911  1.00 63.91           C  \\nATOM    109  CG  GLU A  63      31.901 -15.712  38.066  1.00 66.72           C  \\nATOM    110  CD  GLU A  63      32.033 -15.258  39.510  1.00 72.67           C  \\nATOM    111  OE1 GLU A  63      31.946 -16.109  40.431  1.00 75.89           O  \\nATOM    112  OE2 GLU A  63      32.226 -14.039  39.724  1.00 74.54           O1-\\nATOM    113  N   GLU A  64      30.250 -19.785  36.617  1.00 59.24           N  \\nATOM    114  CA  GLU A  64      30.241 -21.242  36.543  1.00 58.15           C  \\nATOM    115  C   GLU A  64      29.492 -21.754  35.306  1.00 55.35           C  \\nATOM    116  O   GLU A  64      28.672 -22.670  35.381  1.00 55.76           O  \\nATOM    117  CB  GLU A  64      29.769 -21.843  37.870  1.00 60.07           C  \\nATOM    118  CG  GLU A  64      30.695 -21.454  39.037  1.00 63.27           C  \\nATOM    119  CD  GLU A  64      30.317 -22.082  40.371  1.00 67.53           C  \\nATOM    120  OE1 GLU A  64      29.225 -22.680  40.463  1.00 68.43           O  \\nATOM    121  OE2 GLU A  64      31.113 -21.972  41.337  1.00 70.03           O1-\\nATOM    122  N   ALA A  65      29.807 -21.153  34.161  1.00 52.62           N  \\nATOM    123  CA  ALA A  65      29.123 -21.434  32.899  1.00 49.66           C  \\nATOM    124  C   ALA A  65      29.403 -22.834  32.377  1.00 48.84           C  \\nATOM    125  O   ALA A  65      30.526 -23.338  32.486  1.00 49.19           O  \\nATOM    126  CB  ALA A  65      29.513 -20.421  31.860  1.00 47.95           C  \\nATOM    127  N   GLU A  66      28.372 -23.454  31.810  1.00 47.36           N  \\nATOM    128  CA  GLU A  66      28.514 -24.743  31.156  1.00 46.55           C  \\nATOM    129  C   GLU A  66      29.504 -24.582  30.011  1.00 44.39           C  \\nATOM    130  O   GLU A  66      29.393 -23.625  29.226  1.00 44.16           O  \\nATOM    131  CB  GLU A  66      27.154 -25.238  30.647  1.00 46.56           C  \\nATOM    132  CG  GLU A  66      27.210 -26.553  29.845  1.00 49.84           C  \\nATOM    133  CD  GLU A  66      25.845 -27.017  29.308  1.00 55.31           C  \\nATOM    134  OE1 GLU A  66      24.824 -26.947  30.052  1.00 57.42           O  \\nATOM    135  OE2 GLU A  66      25.804 -27.484  28.138  1.00 56.67           O1-\\nATOM    136  N   GLN A  67      30.489 -25.480  29.941  1.00 43.09           N  \\nATOM    137  CA  GLN A  67      31.466 -25.485  28.855  1.00 40.79           C  \\nATOM    138  C   GLN A  67      31.056 -26.498  27.810  1.00 40.00           C  \\nATOM    139  O   GLN A  67      30.545 -27.575  28.132  1.00 40.30           O  \\nATOM    140  CB  GLN A  67      32.866 -25.830  29.353  1.00 41.75           C  \\nATOM    141  CG  GLN A  67      33.454 -24.857  30.328  1.00 41.11           C  \\nATOM    142  CD  GLN A  67      34.584 -25.466  31.109  1.00 42.72           C  \\nATOM    143  NE2 GLN A  67      35.329 -26.350  30.469  1.00 44.44           N  \\nATOM    144  OE1 GLN A  67      34.787 -25.155  32.281  1.00 43.79           O  \\nATOM    145  N   THR A  68      31.280 -26.155  26.550  1.00 38.87           N  \\nATOM    146  CA  THR A  68      30.811 -26.991  25.462  1.00 38.80           C  \\nATOM    147  C   THR A  68      31.415 -26.551  24.156  1.00 38.25           C  \\nATOM    148  O   THR A  68      31.896 -25.421  24.037  1.00 38.65           O  \\nATOM    149  CB  THR A  68      29.253 -26.949  25.351  1.00 38.12           C  \\nATOM    150  CG2 THR A  68      28.771 -25.547  25.124  1.00 37.40           C  \\nATOM    151  OG1 THR A  68      28.824 -27.777  24.270  1.00 38.65           O  \\nATOM    152  N   GLY A  69      31.385 -27.436  23.172  1.00 38.38           N  \\nATOM    153  CA  GLY A  69      31.864 -27.095  21.840  1.00 38.48           C  \\nATOM    154  C   GLY A  69      33.127 -27.845  21.494  1.00 39.34           C  \\nATOM    155  O   GLY A  69      33.523 -28.750  22.212  1.00 39.78           O  \\nATOM    156  N   VAL A  70      33.743 -27.453  20.379  1.00 40.00           N  \\nATOM    157  CA  VAL A  70      34.902 -28.129  19.793  1.00 41.41           C  \\nATOM    158  C   VAL A  70      35.755 -27.063  19.116  1.00 41.69           C  \\nATOM    159  O   VAL A  70      35.232 -26.060  18.660  1.00 40.80           O  \\nATOM    160  CB  VAL A  70      34.475 -29.190  18.706  1.00 42.10           C  \\nATOM    161  CG1 VAL A  70      35.675 -29.990  18.223  1.00 43.16           C  \\nATOM    162  CG2 VAL A  70      33.394 -30.156  19.221  1.00 41.89           C  \\nATOM    163  N   SER A  71      37.063 -27.290  19.048  1.00 43.57           N  \\nATOM    164  CA  SER A  71      37.996 -26.389  18.391  1.00 44.30           C  \\nATOM    165  C   SER A  71      38.427 -26.909  17.012  1.00 45.59           C  \\nATOM    166  O   SER A  71      39.373 -27.688  16.916  1.00 47.27           O  \\nATOM    167  CB  SER A  71      39.246 -26.201  19.258  1.00 45.37           C  \\nATOM    168  OG  SER A  71      38.950 -25.442  20.412  1.00 45.59           O  \\nATOM    169  N   HIS A  72      37.755 -26.451  15.955  1.00 45.24           N  \\nATOM    170  CA  HIS A  72      38.096 -26.812  14.570  1.00 46.53           C  \\nATOM    171  C   HIS A  72      39.124 -25.863  13.995  1.00 47.57           C  \\nATOM    172  O   HIS A  72      39.169 -24.698  14.356  1.00 47.83           O  \\nATOM    173  CB  HIS A  72      36.852 -26.770  13.672  1.00 45.24           C  \\nATOM    174  CG  HIS A  72      35.797 -27.759  14.051  1.00 44.98           C  \\nATOM    175  CD2 HIS A  72      34.613 -27.598  14.689  1.00 44.34           C  \\nATOM    176  ND1 HIS A  72      35.894 -29.101  13.758  1.00 45.74           N  \\nATOM    177  CE1 HIS A  72      34.817 -29.726  14.198  1.00 45.63           C  \\nATOM    178  NE2 HIS A  72      34.023 -28.837  14.768  1.00 45.21           N  \\nATOM    179  N   ASN A  73      39.944 -26.357  13.087  1.00 49.51           N  \\nATOM    180  CA  ASN A  73      40.875 -25.500  12.375  1.00 51.33           C  \\nATOM    181  C   ASN A  73      40.695 -25.682  10.882  1.00 51.59           C  \\nATOM    182  O   ASN A  73      41.141 -26.679  10.313  1.00 53.11           O  \\nATOM    183  CB  ASN A  73      42.314 -25.773  12.808  1.00 53.56           C  \\nATOM    184  CG  ASN A  73      42.727 -24.917  14.002  1.00 56.24           C  \\nATOM    185  ND2 ASN A  73      42.218 -25.248  15.196  1.00 55.92           N  \\nATOM    186  OD1 ASN A  73      43.482 -23.952  13.842  1.00 59.75           O  \\nATOM    187  N   LEU A  74      40.028 -24.720  10.255  1.00 49.90           N  \\nATOM    188  CA  LEU A  74      39.574 -24.902   8.888  1.00 49.89           C  \\nATOM    189  C   LEU A  74      40.011 -23.762   7.993  1.00 50.43           C  \\nATOM    190  O   LEU A  74      40.145 -22.632   8.446  1.00 49.93           O  \\nATOM    191  CB  LEU A  74      38.041 -25.040   8.862  1.00 48.42           C  \\nATOM    192  CG  LEU A  74      37.501 -26.299   9.560  1.00 47.34           C  \\nATOM    193  CD1 LEU A  74      36.102 -26.068  10.049  1.00 44.74           C  \\nATOM    194  CD2 LEU A  74      37.581 -27.537   8.667  1.00 46.68           C  \\nATOM    195  N   MET A  75      40.226 -24.070   6.721  1.00 51.67           N  \\nATOM    196  CA  MET A  75      40.525 -23.052   5.729  1.00 52.85           C  \\nATOM    197  C   MET A  75      39.245 -22.698   4.996  1.00 51.65           C  \\nATOM    198  O   MET A  75      38.527 -23.575   4.493  1.00 51.77           O  \\nATOM    199  CB  MET A  75      41.602 -23.531   4.748  1.00 55.39           C  \\nATOM    200  CG  MET A  75      42.820 -24.108   5.437  1.00 58.84           C  \\nATOM    201  SD  MET A  75      44.349 -23.939   4.504  1.00 67.93           S  \\nATOM    202  CE  MET A  75      44.614 -22.159   4.527  1.00 67.15           C  \\nATOM    203  N   ILE A  76      38.959 -21.407   4.944  1.00 50.64           N  \\nATOM    204  CA  ILE A  76      37.737 -20.927   4.326  1.00 49.73           C  \\nATOM    205  C   ILE A  76      38.007 -19.739   3.408  1.00 51.09           C  \\nATOM    206  O   ILE A  76      39.046 -19.071   3.516  1.00 52.21           O  \\nATOM    207  CB  ILE A  76      36.678 -20.524   5.391  1.00 47.80           C  \\nATOM    208  CG1 ILE A  76      37.214 -19.397   6.283  1.00 46.24           C  \\nATOM    209  CG2 ILE A  76      36.244 -21.754   6.218  1.00 46.00           C  \\nATOM    210  CD1 ILE A  76      36.155 -18.504   6.867  1.00 43.64           C  \\nATOM    211  N   THR A  77      37.082 -19.497   2.485  1.00 51.04           N  \\nATOM    212  CA  THR A  77      37.020 -18.214   1.804  1.00 51.35           C  \\nATOM    213  C   THR A  77      35.697 -17.567   2.187  1.00 49.02           C  \\nATOM    214  O   THR A  77      34.713 -18.265   2.450  1.00 47.56           O  \\nATOM    215  CB  THR A  77      37.162 -18.331   0.264  1.00 53.63           C  \\nATOM    216  CG2 THR A  77      38.556 -18.837  -0.125  1.00 55.87           C  \\nATOM    217  OG1 THR A  77      36.179 -19.237  -0.246  1.00 54.66           O  \\nATOM    218  N   VAL A  78      35.699 -16.239   2.270  1.00 48.30           N  \\nATOM    219  CA  VAL A  78      34.485 -15.471   2.492  1.00 47.02           C  \\nATOM    220  C   VAL A  78      34.257 -14.707   1.204  1.00 48.45           C  \\nATOM    221  O   VAL A  78      35.114 -13.941   0.794  1.00 49.60           O  \\nATOM    222  CB  VAL A  78      34.629 -14.468   3.665  1.00 45.79           C  \\nATOM    223  CG1 VAL A  78      33.282 -13.855   4.017  1.00 42.87           C  \\nATOM    224  CG2 VAL A  78      35.238 -15.142   4.889  1.00 45.01           C  \\nATOM    225  N   ASP A  79      33.135 -14.929   0.533  1.00 48.81           N  \\nATOM    226  CA  ASP A  79      32.859 -14.069  -0.604  1.00 50.42           C  \\nATOM    227  C   ASP A  79      32.063 -12.821  -0.242  1.00 48.91           C  \\nATOM    228  O   ASP A  79      31.597 -12.667   0.894  1.00 46.98           O  \\nATOM    229  CB  ASP A  79      32.360 -14.802  -1.867  1.00 52.70           C  \\nATOM    230  CG  ASP A  79      31.272 -15.782  -1.593  1.00 54.09           C  \\nATOM    231  OD1 ASP A  79      30.193 -15.342  -1.151  1.00 58.66           O  \\nATOM    232  OD2 ASP A  79      31.483 -16.988  -1.857  1.00 56.65           O1-\\nATOM    233  N   ASP A  80      31.954 -11.918  -1.214  1.00 49.52           N  \\nATOM    234  CA  ASP A  80      31.484 -10.566  -0.967  1.00 48.36           C  \\nATOM    235  C   ASP A  80      30.086 -10.529  -0.346  1.00 46.04           C  \\nATOM    236  O   ASP A  80      29.791  -9.619   0.424  1.00 44.73           O  \\nATOM    237  CB  ASP A  80      31.587  -9.719  -2.244  1.00 50.76           C  \\nATOM    238  CG  ASP A  80      33.041  -9.349  -2.594  1.00 53.72           C  \\nATOM    239  OD1 ASP A  80      33.916  -9.446  -1.700  1.00 53.30           O  \\nATOM    240  OD2 ASP A  80      33.310  -8.949  -3.756  1.00 56.16           O1-\\nATOM    241  N   ASP A  81      29.258 -11.537  -0.637  1.00 44.75           N  \\nATOM    242  CA  ASP A  81      27.887 -11.587  -0.102  1.00 43.24           C  \\nATOM    243  C   ASP A  81      27.809 -12.123   1.337  1.00 40.96           C  \\nATOM    244  O   ASP A  81      26.716 -12.256   1.911  1.00 39.36           O  \\nATOM    245  CB  ASP A  81      26.956 -12.377  -1.032  1.00 44.11           C  \\nATOM    246  CG  ASP A  81      27.244 -13.882  -1.042  1.00 45.84           C  \\nATOM    247  OD1 ASP A  81      28.051 -14.381  -0.220  1.00 46.23           O  \\nATOM    248  OD2 ASP A  81      26.644 -14.581  -1.888  1.00 49.63           O1-\\nATOM    249  N   GLY A  82      28.973 -12.440   1.898  1.00 39.98           N  \\nATOM    250  CA  GLY A  82      29.077 -12.891   3.283  1.00 38.88           C  \\nATOM    251  C   GLY A  82      29.100 -14.402   3.468  1.00 38.16           C  \\nATOM    252  O   GLY A  82      29.236 -14.890   4.584  1.00 37.63           O  \\nATOM    253  N   THR A  83      28.954 -15.144   2.379  1.00 38.94           N  \\nATOM    254  CA  THR A  83      28.969 -16.600   2.445  1.00 38.60           C  \\nATOM    255  C   THR A  83      30.371 -17.148   2.753  1.00 38.97           C  \\nATOM    256  O   THR A  83      31.358 -16.829   2.082  1.00 39.46           O  \\nATOM    257  CB  THR A  83      28.419 -17.229   1.146  1.00 40.03           C  \\nATOM    258  CG2 THR A  83      28.314 -18.753   1.266  1.00 39.20           C  \\nATOM    259  OG1 THR A  83      27.124 -16.682   0.860  1.00 39.81           O  \\nATOM    260  N   MET A  84      30.439 -17.959   3.797  1.00 38.50           N  \\nATOM    261  CA  MET A  84      31.655 -18.663   4.130  1.00 39.95           C  \\nATOM    262  C   MET A  84      31.608 -20.063   3.522  1.00 41.38           C  \\nATOM    263  O   MET A  84      30.561 -20.723   3.544  1.00 40.48           O  \\nATOM    264  CB  MET A  84      31.845 -18.685   5.643  1.00 38.69           C  \\nATOM    265  CG  MET A  84      31.909 -17.280   6.247  1.00 39.30           C  \\nATOM    266  SD  MET A  84      31.504 -17.183   8.002  1.00 41.47           S  \\nATOM    267  CE  MET A  84      33.050 -17.747   8.723  1.00 40.80           C  \\nATOM    268  N   ARG A  85      32.733 -20.481   2.940  1.00 43.64           N  \\nATOM    269  CA  ARG A  85      32.873 -21.799   2.301  1.00 46.73           C  \\nATOM    270  C   ARG A  85      34.177 -22.456   2.732  1.00 47.82           C  \\nATOM    271  O   ARG A  85      35.222 -21.820   2.704  1.00 48.25           O  \\nATOM    272  CB  ARG A  85      32.855 -21.667   0.769  1.00 48.85           C  \\nATOM    273  CG  ARG A  85      31.472 -21.818   0.148  1.00 51.19           C  \\nATOM    274  CD  ARG A  85      31.242 -20.936  -1.099  1.00 57.01           C  \\nATOM    275  NE  ARG A  85      29.814 -20.937  -1.470  1.00 59.55           N  \\nATOM    276  CZ  ARG A  85      29.194 -19.985  -2.170  1.00 61.04           C  \\nATOM    277  NH1 ARG A  85      29.854 -18.916  -2.603  1.00 62.58           N1+\\nATOM    278  NH2 ARG A  85      27.899 -20.099  -2.438  1.00 61.01           N  \\nATOM    279  N   ILE A  86      34.116 -23.722   3.130  1.00 49.07           N  \\nATOM    280  CA  ILE A  86      35.324 -24.455   3.502  1.00 51.21           C  \\nATOM    281  C   ILE A  86      36.139 -24.787   2.247  1.00 54.67           C  \\nATOM    282  O   ILE A  86      35.615 -25.379   1.297  1.00 55.58           O  \\nATOM    283  CB  ILE A  86      35.008 -25.758   4.293  1.00 50.57           C  \\nATOM    284  CG1 ILE A  86      34.305 -25.431   5.611  1.00 48.51           C  \\nATOM    285  CG2 ILE A  86      36.299 -26.570   4.546  1.00 51.41           C  \\nATOM    286  CD1 ILE A  86      33.899 -26.655   6.441  1.00 48.15           C  \\nATOM    287  N   LYS A  87      37.414 -24.398   2.248  1.00 57.33           N  \\nATOM    288  CA  LYS A  87      38.315 -24.695   1.123  1.00 61.66           C  \\nATOM    289  C   LYS A  87      38.439 -26.198   0.853  1.00 63.99           C  \\nATOM    290  O   LYS A  87      38.828 -26.983   1.736  1.00 63.66           O  \\nATOM    291  CB  LYS A  87      39.690 -24.044   1.314  1.00 62.54           C  \\nATOM    292  CG  LYS A  87      39.619 -22.527   1.524  1.00 62.86           C  \\nATOM    293  CD  LYS A  87      40.564 -21.759   0.610  1.00 66.96           C  \\nATOM    294  CE  LYS A  87      42.006 -21.769   1.092  1.00 68.91           C  \\nATOM    295  NZ  LYS A  87      42.735 -20.625   0.470  1.00 71.15           N1+\\nATOM    296  N   ASP A  88      38.106 -26.579  -0.384  1.00 67.18           N  \\nATOM    297  CA  ASP A  88      37.906 -27.987  -0.759  1.00 69.60           C  \\nATOM    298  C   ASP A  88      39.036 -28.560  -1.615  1.00 72.46           C  \\nATOM    299  O   ASP A  88      39.282 -29.771  -1.597  1.00 73.87           O  \\nATOM    300  CB  ASP A  88      36.561 -28.158  -1.484  1.00 70.09           C  \\nATOM    301  CG  ASP A  88      35.802 -29.406  -1.030  1.00 71.40           C  \\nATOM    302  OD1 ASP A  88      36.358 -30.531  -1.161  1.00 73.95           O  \\nATOM    303  OD2 ASP A  88      34.647 -29.254  -0.547  1.00 70.83           O1-\\nATOM    304  N   GLY B  -1      26.126 -13.758  -4.884  1.00 51.91           N  \\nATOM    305  CA  GLY B  -1      25.090 -12.791  -4.411  1.00 51.39           C  \\nATOM    306  C   GLY B  -1      25.574 -11.346  -4.408  1.00 51.39           C  \\nATOM    307  O   GLY B  -1      26.773 -11.073  -4.588  1.00 52.16           O  \\nATOM    308  N   GLY B   0      24.651 -10.409  -4.220  1.00 50.27           N  \\nATOM    309  CA  GLY B   0      25.045  -9.012  -4.082  1.00 49.93           C  \\nATOM    310  C   GLY B   0      25.803  -8.692  -2.793  1.00 48.43           C  \\nATOM    311  O   GLY B   0      25.634  -9.354  -1.758  1.00 47.65           O  \\nATOM    312  N   SER B   1      26.648  -7.673  -2.859  1.00 47.67           N  \\nATOM    313  CA  SER B   1      27.233  -7.101  -1.667  1.00 45.62           C  \\nATOM    314  C   SER B   1      26.907  -5.612  -1.569  1.00 45.28           C  \\nATOM    315  O   SER B   1      26.593  -4.961  -2.565  1.00 46.33           O  \\nATOM    316  CB  SER B   1      28.738  -7.296  -1.671  1.00 45.85           C  \\nATOM    317  OG  SER B   1      29.236  -7.088  -0.366  1.00 45.17           O  \\nATOM    318  N   GLY B   2      26.992  -5.077  -0.362  1.00 43.68           N  \\nATOM    319  CA  GLY B   2      26.845  -3.656  -0.149  1.00 43.52           C  \\nATOM    320  C   GLY B   2      27.507  -3.217   1.137  1.00 42.92           C  \\nATOM    321  O   GLY B   2      27.706  -4.018   2.056  1.00 41.69           O  \\nATOM    322  N   VAL B   3      27.859  -1.940   1.192  1.00 43.56           N  \\nATOM    323  CA  VAL B   3      28.331  -1.303   2.427  1.00 43.81           C  \\nATOM    324  C   VAL B   3      27.578   0.004   2.597  1.00 44.47           C  \\nATOM    325  O   VAL B   3      27.337   0.706   1.625  1.00 45.08           O  \\nATOM    326  CB  VAL B   3      29.872  -1.016   2.402  1.00 44.37           C  \\nATOM    327  CG1 VAL B   3      30.313  -0.287   3.660  1.00 44.26           C  \\nATOM    328  CG2 VAL B   3      30.645  -2.304   2.281  1.00 43.91           C  \\nATOM    329  N   LEU B   4      27.196   0.313   3.824  1.00 44.94           N  \\nATOM    330  CA  LEU B   4      26.593   1.599   4.139  1.00 47.54           C  \\nATOM    331  C   LEU B   4      27.374   2.234   5.277  1.00 49.53           C  \\nATOM    332  O   LEU B   4      27.809   1.537   6.184  1.00 49.20           O  \\nATOM    333  CB  LEU B   4      25.126   1.423   4.523  1.00 46.20           C  \\nATOM    334  CG  LEU B   4      24.372   2.659   5.006  1.00 46.45           C  \\nATOM    335  CD1 LEU B   4      23.722   3.410   3.838  1.00 45.66           C  \\nATOM    336  CD2 LEU B   4      23.339   2.252   6.040  1.00 43.29           C  \\nATOM    337  N   TRP B   5      27.581   3.544   5.202  1.00 53.21           N  \\nATOM    338  CA  TRP B   5      28.256   4.302   6.265  1.00 56.26           C  \\nATOM    339  C   TRP B   5      27.782   5.764   6.203  1.00 59.20           C  \\nATOM    340  O   TRP B   5      27.781   6.361   5.132  1.00 60.36           O  \\nATOM    341  CB  TRP B   5      29.786   4.080   6.244  1.00 56.31           C  \\nATOM    342  CG  TRP B   5      30.578   4.780   5.178  1.00 58.24           C  \\nATOM    343  CD1 TRP B   5      31.371   5.876   5.356  1.00 60.64           C  \\nATOM    344  CD2 TRP B   5      30.699   4.419   3.786  1.00 58.62           C  \\nATOM    345  CE2 TRP B   5      31.567   5.366   3.184  1.00 60.71           C  \\nATOM    346  CE3 TRP B   5      30.145   3.406   2.985  1.00 57.42           C  \\nATOM    347  NE1 TRP B   5      31.961   6.237   4.166  1.00 62.36           N  \\nATOM    348  CZ2 TRP B   5      31.900   5.332   1.814  1.00 61.10           C  \\nATOM    349  CZ3 TRP B   5      30.481   3.370   1.617  1.00 58.41           C  \\nATOM    350  CH2 TRP B   5      31.354   4.330   1.052  1.00 59.60           C  \\nATOM    351  N   ASP B   6      27.359   6.321   7.347  1.00 61.91           N  \\nATOM    352  CA  ASP B   6      26.200   7.261   7.373  1.00 64.68           C  \\nATOM    353  C   ASP B   6      26.327   8.527   8.209  1.00 67.84           C  \\nATOM    354  O   ASP B   6      27.355   9.204   8.133  1.00 69.55           O  \\nATOM    355  CB  ASP B   6      24.981   6.492   7.874  1.00 63.63           C  \\nATOM    356  CG  ASP B   6      23.690   7.000   7.318  1.00 64.07           C  \\nATOM    357  OD1 ASP B   6      23.297   6.534   6.227  1.00 63.78           O  \\nATOM    358  OD2 ASP B   6      23.048   7.824   8.001  1.00 64.39           O1-\\nATOM    359  N   VAL B   7      25.273   8.827   8.998  1.00 69.93           N  \\nATOM    360  CA  VAL B   7      25.077  10.106   9.753  1.00 73.27           C  \\nATOM    361  C   VAL B   7      24.025  10.057  10.910  1.00 74.30           C  \\nATOM    362  O   VAL B   7      22.841   9.754  10.672  1.00 73.63           O  \\nATOM    363  CB  VAL B   7      24.728  11.290   8.794  1.00 75.03           C  \\nATOM    364  CG1 VAL B   7      23.798  12.321   9.464  1.00 76.75           C  \\nATOM    365  CG2 VAL B   7      26.001  11.972   8.290  1.00 76.94           C  \\nATOM    366  N   PRO B   8      24.444  10.408  12.158  1.00 76.13           N  \\nATOM    367  CA  PRO B   8      23.582  10.289  13.366  1.00 76.64           C  \\nATOM    368  C   PRO B   8      22.343  11.208  13.388  1.00 78.37           C  \\nATOM    369  O   PRO B   8      22.383  12.328  12.873  1.00 80.11           O  \\nATOM    370  CB  PRO B   8      24.534  10.643  14.521  1.00 77.53           C  \\nATOM    371  CG  PRO B   8      25.558  11.560  13.894  1.00 79.18           C  \\nATOM    372  CD  PRO B   8      25.745  11.041  12.475  1.00 77.55           C  \\nATOM    373  N   SER B   9      21.269  10.724  14.011  1.00 78.19           N  \\nATOM    374  CA  SER B   9      19.949  11.377  13.999  1.00 79.54           C  \\nATOM    375  C   SER B   9      19.770  12.480  15.072  1.00 81.92           C  \\nATOM    376  O   SER B   9      20.574  12.560  16.009  1.00 82.37           O  \\nATOM    377  CB  SER B   9      18.863  10.301  14.115  1.00 78.25           C  \\nATOM    378  OG  SER B   9      19.383   9.128  14.714  1.00 75.79           O  \\nATOM    379  N   PRO B  10      18.714  13.328  14.944  1.00 83.55           N  \\nATOM    380  CA  PRO B  10      18.566  14.524  15.806  1.00 86.04           C  \\nATOM    381  C   PRO B  10      18.654  14.261  17.317  1.00 86.06           C  \\nATOM    382  O   PRO B  10      17.745  13.675  17.903  1.00 85.41           O  \\nATOM    383  CB  PRO B  10      17.176  15.066  15.429  1.00 87.39           C  \\nATOM    384  CG  PRO B  10      16.928  14.558  14.048  1.00 86.06           C  \\nATOM    385  CD  PRO B  10      17.583  13.200  14.000  1.00 83.49           C  \\nATOM    386  N   ALA B  16      15.370   8.006  20.253  1.00 72.12           N  \\nATOM    387  CA  ALA B  16      15.203   6.555  20.319  1.00 70.33           C  \\nATOM    388  C   ALA B  16      16.163   5.919  21.334  1.00 69.59           C  \\nATOM    389  O   ALA B  16      17.142   5.271  20.945  1.00 68.10           O  \\nATOM    390  CB  ALA B  16      15.386   5.943  18.935  1.00 68.48           C  \\nATOM    391  N   GLU B  17      15.876   6.100  22.628  1.00 70.72           N  \\nATOM    392  CA  GLU B  17      16.808   5.687  23.693  1.00 70.42           C  \\nATOM    393  C   GLU B  17      16.519   4.323  24.334  1.00 68.39           C  \\nATOM    394  O   GLU B  17      15.379   4.010  24.711  1.00 69.16           O  \\nATOM    395  CB  GLU B  17      16.985   6.784  24.764  1.00 73.14           C  \\nATOM    396  CG  GLU B  17      18.059   7.863  24.431  1.00 76.75           C  \\nATOM    397  CD  GLU B  17      19.509   7.319  24.386  1.00 79.31           C  \\nATOM    398  OE1 GLU B  17      19.926   6.767  23.332  1.00 78.39           O  \\nATOM    399  OE2 GLU B  17      20.239   7.469  25.401  1.00 81.44           O1-\\nATOM    400  N   LEU B  18      17.587   3.541  24.474  1.00 65.34           N  \\nATOM    401  CA  LEU B  18      17.522   2.149  24.873  1.00 62.62           C  \\nATOM    402  C   LEU B  18      18.599   1.893  25.929  1.00 61.75           C  \\nATOM    403  O   LEU B  18      19.710   2.405  25.806  1.00 61.58           O  \\nATOM    404  CB  LEU B  18      17.809   1.302  23.637  1.00 60.49           C  \\nATOM    405  CG  LEU B  18      16.805   0.273  23.124  1.00 59.76           C  \\nATOM    406  CD1 LEU B  18      15.429   0.872  23.073  1.00 60.94           C  \\nATOM    407  CD2 LEU B  18      17.226  -0.226  21.741  1.00 56.52           C  \\nATOM    408  N   GLU B  19      18.286   1.109  26.959  1.00 60.68           N  \\nATOM    409  CA  GLU B  19      19.312   0.704  27.930  1.00 59.79           C  \\nATOM    410  C   GLU B  19      20.276  -0.294  27.299  1.00 56.57           C  \\nATOM    411  O   GLU B  19      19.862  -1.168  26.545  1.00 54.72           O  \\nATOM    412  CB  GLU B  19      18.708   0.049  29.170  1.00 60.80           C  \\nATOM    413  CG  GLU B  19      17.498   0.716  29.754  1.00 64.46           C  \\nATOM    414  CD  GLU B  19      16.763  -0.196  30.730  1.00 67.57           C  \\nATOM    415  OE1 GLU B  19      17.201  -1.357  30.921  1.00 67.18           O  \\nATOM    416  OE2 GLU B  19      15.744   0.249  31.306  1.00 70.62           O1-\\nATOM    417  N   GLU B  20      21.558  -0.164  27.627  1.00 55.50           N  \\nATOM    418  CA  GLU B  20      22.577  -1.098  27.159  1.00 53.17           C  \\nATOM    419  C   GLU B  20      22.248  -2.539  27.556  1.00 51.33           C  \\nATOM    420  O   GLU B  20      21.637  -2.774  28.596  1.00 52.27           O  \\nATOM    421  CB  GLU B  20      23.951  -0.707  27.699  1.00 54.24           C  \\nATOM    422  CG  GLU B  20      24.520   0.582  27.097  1.00 56.99           C  \\nATOM    423  CD  GLU B  20      25.972   0.846  27.506  1.00 60.44           C  \\nATOM    424  OE1 GLU B  20      26.501   0.108  28.372  1.00 61.63           O  \\nATOM    425  OE2 GLU B  20      26.585   1.792  26.959  1.00 61.26           O1-\\nATOM    426  N   GLY B  21      22.647  -3.498  26.724  1.00 48.34           N  \\nATOM    427  CA  GLY B  21      22.346  -4.901  26.976  1.00 45.97           C  \\nATOM    428  C   GLY B  21      21.969  -5.686  25.734  1.00 43.52           C  \\nATOM    429  O   GLY B  21      22.084  -5.184  24.616  1.00 43.17           O  \\nATOM    430  N   VAL B  22      21.513  -6.920  25.941  1.00 41.93           N  \\nATOM    431  CA  VAL B  22      21.198  -7.850  24.853  1.00 39.42           C  \\nATOM    432  C   VAL B  22      19.691  -7.910  24.627  1.00 38.91           C  \\nATOM    433  O   VAL B  22      18.939  -8.102  25.577  1.00 39.75           O  \\nATOM    434  CB  VAL B  22      21.692  -9.280  25.174  1.00 38.82           C  \\nATOM    435  CG1 VAL B  22      21.596 -10.155  23.927  1.00 36.70           C  \\nATOM    436  CG2 VAL B  22      23.130  -9.255  25.692  1.00 38.47           C  \\nATOM    437  N   TYR B  23      19.269  -7.776  23.371  1.00 37.27           N  \\nATOM    438  CA  TYR B  23      17.852  -7.693  23.018  1.00 37.42           C  \\nATOM    439  C   TYR B  23      17.403  -8.761  22.026  1.00 36.46           C  \\nATOM    440  O   TYR B  23      18.148  -9.159  21.139  1.00 34.80           O  \\nATOM    441  CB  TYR B  23      17.537  -6.331  22.409  1.00 37.86           C  \\nATOM    442  CG  TYR B  23      17.568  -5.174  23.381  1.00 39.27           C  \\nATOM    443  CD1 TYR B  23      18.777  -4.673  23.872  1.00 38.60           C  \\nATOM    444  CD2 TYR B  23      16.389  -4.564  23.778  1.00 39.55           C  \\nATOM    445  CE1 TYR B  23      18.798  -3.613  24.768  1.00 41.68           C  \\nATOM    446  CE2 TYR B  23      16.387  -3.510  24.660  1.00 42.70           C  \\nATOM    447  CZ  TYR B  23      17.592  -3.031  25.158  1.00 43.72           C  \\nATOM    448  OH  TYR B  23      17.570  -1.970  26.030  1.00 44.44           O  \\nATOM    449  N   ARG B  24      16.167  -9.218  22.191  1.00 37.25           N  \\nATOM    450  CA  ARG B  24      15.500 -10.016  21.178  1.00 37.05           C  \\nATOM    451  C   ARG B  24      14.986  -9.081  20.092  1.00 37.73           C  \\nATOM    452  O   ARG B  24      14.426  -8.029  20.384  1.00 38.54           O  \\nATOM    453  CB  ARG B  24      14.329 -10.788  21.779  1.00 37.90           C  \\nATOM    454  CG  ARG B  24      14.726 -11.883  22.738  1.00 37.06           C  \\nATOM    455  CD  ARG B  24      13.515 -12.492  23.409  1.00 36.70           C  \\nATOM    456  NE  ARG B  24      13.905 -13.031  24.702  1.00 38.19           N  \\nATOM    457  CZ  ARG B  24      14.310 -14.280  24.926  1.00 39.13           C  \\nATOM    458  NH1 ARG B  24      14.363 -15.163  23.929  1.00 39.05           N1+\\nATOM    459  NH2 ARG B  24      14.670 -14.646  26.156  1.00 38.09           N  \\nATOM    460  N   ILE B  25      15.183  -9.460  18.838  1.00 37.31           N  \\nATOM    461  CA  ILE B  25      14.602  -8.718  17.742  1.00 38.19           C  \\nATOM    462  C   ILE B  25      13.383  -9.505  17.294  1.00 40.11           C  \\nATOM    463  O   ILE B  25      13.494 -10.684  16.932  1.00 39.86           O  \\nATOM    464  CB  ILE B  25      15.607  -8.518  16.588  1.00 36.91           C  \\nATOM    465  CG1 ILE B  25      16.913  -7.930  17.118  1.00 35.15           C  \\nATOM    466  CG2 ILE B  25      15.009  -7.611  15.515  1.00 37.34           C  \\nATOM    467  CD1 ILE B  25      17.994  -7.711  16.059  1.00 34.06           C  \\nATOM    468  N   LYS B  26      12.214  -8.867  17.343  1.00 42.57           N  \\nATOM    469  CA  LYS B  26      10.956  -9.552  17.060  1.00 44.86           C  \\nATOM    470  C   LYS B  26      10.220  -8.950  15.874  1.00 46.43           C  \\nATOM    471  O   LYS B  26      10.372  -7.764  15.563  1.00 46.84           O  \\nATOM    472  CB  LYS B  26      10.031  -9.532  18.286  1.00 46.41           C  \\nATOM    473  CG  LYS B  26      10.628 -10.143  19.536  1.00 47.28           C  \\nATOM    474  CD  LYS B  26       9.623 -11.081  20.185  1.00 49.95           C  \\nATOM    475  CE  LYS B  26      10.125 -11.545  21.539  1.00 51.20           C  \\nATOM    476  NZ  LYS B  26       8.987 -12.024  22.370  1.00 54.99           N1+\\nATOM    477  N   GLN B  27       9.403  -9.762  15.215  1.00 48.10           N  \\nATOM    478  CA  GLN B  27       8.613  -9.245  14.109  1.00 50.54           C  \\nATOM    479  C   GLN B  27       7.118  -9.557  14.205  1.00 52.86           C  \\nATOM    480  O   GLN B  27       6.728 -10.608  14.701  1.00 53.23           O  \\nATOM    481  CB  GLN B  27       9.213  -9.669  12.769  1.00 49.65           C  \\nATOM    482  CG  GLN B  27       8.856 -11.041  12.280  1.00 50.72           C  \\nATOM    483  CD  GLN B  27       8.802 -11.062  10.769  1.00 52.70           C  \\nATOM    484  NE2 GLN B  27       9.033 -12.223  10.180  1.00 51.76           N  \\nATOM    485  OE1 GLN B  27       8.567 -10.027  10.138  1.00 54.36           O  \\nATOM    486  N   GLN B  28       6.299  -8.632  13.717  1.00 55.36           N  \\nATOM    487  CA  GLN B  28       4.847  -8.693  13.901  1.00 58.66           C  \\nATOM    488  C   GLN B  28       4.083  -9.772  13.113  1.00 59.76           C  \\nATOM    489  O   GLN B  28       4.633 -10.466  12.265  1.00 58.90           O  \\nATOM    490  CB  GLN B  28       4.208  -7.312  13.689  1.00 60.28           C  \\nATOM    491  CG  GLN B  28       3.578  -6.707  14.958  1.00 63.14           C  \\nATOM    492  CD  GLN B  28       2.261  -7.382  15.367  1.00 66.84           C  \\nATOM    493  NE2 GLN B  28       1.174  -6.608  15.362  1.00 69.68           N  \\nATOM    494  OE1 GLN B  28       2.225  -8.577  15.694  1.00 67.02           O  \\nATOM    495  N   GLY B  29       2.794  -9.884  13.421  1.00 62.59           N  \\nATOM    496  CA  GLY B  29       1.969 -10.995  12.978  1.00 63.92           C  \\nATOM    497  C   GLY B  29       1.451 -10.965  11.556  1.00 64.73           C  \\nATOM    498  O   GLY B  29       2.200 -10.693  10.619  1.00 63.80           O  \\nATOM    499  N   ILE B  30       0.170 -11.290  11.391  1.00 66.73           N  \\nATOM    500  CA  ILE B  30      -0.675 -11.714  12.512  1.00 68.17           C  \\nATOM    501  C   ILE B  30      -0.178 -13.041  13.101  1.00 66.80           C  \\nATOM    502  O   ILE B  30       0.850 -13.577  12.664  1.00 65.47           O  \\nATOM    503  CB  ILE B  30      -2.164 -11.811  12.119  1.00 70.82           C  \\nATOM    504  CG1 ILE B  30      -2.527 -10.757  11.060  1.00 72.38           C  \\nATOM    505  CG2 ILE B  30      -3.054 -11.663  13.362  1.00 72.91           C  \\nATOM    506  CD1 ILE B  30      -2.338 -11.201   9.607  1.00 72.33           C  \\nATOM    507  N   PHE B  31      -0.903 -13.551  14.095  1.00 67.33           N  \\nATOM    508  CA  PHE B  31      -0.464 -14.676  14.938  1.00 65.80           C  \\nATOM    509  C   PHE B  31       0.377 -14.176  16.121  1.00 64.07           C  \\nATOM    510  O   PHE B  31       0.437 -14.823  17.169  1.00 64.54           O  \\nATOM    511  CB  PHE B  31       0.291 -15.767  14.145  1.00 64.37           C  \\nATOM    512  CG  PHE B  31      -0.441 -16.272  12.914  1.00 64.75           C  \\nATOM    513  CD1 PHE B  31      -1.778 -16.664  12.976  1.00 66.68           C  \\nATOM    514  CD2 PHE B  31       0.226 -16.391  11.700  1.00 62.36           C  \\nATOM    515  CE1 PHE B  31      -2.447 -17.145  11.831  1.00 67.74           C  \\nATOM    516  CE2 PHE B  31      -0.433 -16.870  10.564  1.00 63.54           C  \\nATOM    517  CZ  PHE B  31      -1.773 -17.251  10.630  1.00 65.10           C  \\nATOM    518  N   GLY B  32       1.017 -13.020  15.949  1.00 62.15           N  \\nATOM    519  CA  GLY B  32       1.769 -12.386  17.028  1.00 60.07           C  \\nATOM    520  C   GLY B  32       3.192 -12.057  16.635  1.00 56.91           C  \\nATOM    521  O   GLY B  32       3.502 -11.904  15.451  1.00 56.11           O  \\nATOM    522  N   LYS B  33       4.060 -11.948  17.636  1.00 54.94           N  \\nATOM    523  CA  LYS B  33       5.459 -11.600  17.400  1.00 52.06           C  \\nATOM    524  C   LYS B  33       6.342 -12.841  17.418  1.00 50.07           C  \\nATOM    525  O   LYS B  33       6.060 -13.798  18.140  1.00 50.43           O  \\nATOM    526  CB  LYS B  33       5.952 -10.563  18.415  1.00 52.21           C  \\nATOM    527  CG  LYS B  33       5.190  -9.254  18.371  1.00 53.64           C  \\nATOM    528  CD  LYS B  33       5.622  -8.300  19.468  1.00 55.34           C  \\nATOM    529  CE  LYS B  33       4.600  -7.158  19.634  1.00 59.12           C  \\nATOM    530  NZ  LYS B  33       3.345  -7.547  20.387  1.00 60.88           N1+\\nATOM    531  N   THR B  34       7.407 -12.817  16.615  1.00 47.59           N  \\nATOM    532  CA  THR B  34       8.311 -13.948  16.487  1.00 45.32           C  \\nATOM    533  C   THR B  34       9.741 -13.445  16.521  1.00 42.93           C  \\nATOM    534  O   THR B  34      10.085 -12.481  15.847  1.00 42.64           O  \\nATOM    535  CB  THR B  34       8.063 -14.724  15.165  1.00 45.32           C  \\nATOM    536  CG2 THR B  34       9.188 -15.697  14.882  1.00 44.98           C  \\nATOM    537  OG1 THR B  34       6.867 -15.491  15.283  1.00 47.74           O  \\nATOM    538  N   GLN B  35      10.582 -14.103  17.303  1.00 40.84           N  \\nATOM    539  CA  GLN B  35      11.969 -13.721  17.351  1.00 38.07           C  \\nATOM    540  C   GLN B  35      12.650 -14.078  16.037  1.00 37.08           C  \\nATOM    541  O   GLN B  35      12.572 -15.226  15.588  1.00 37.06           O  \\nATOM    542  CB  GLN B  35      12.660 -14.423  18.495  1.00 37.57           C  \\nATOM    543  CG  GLN B  35      14.100 -14.010  18.654  1.00 35.21           C  \\nATOM    544  CD  GLN B  35      14.688 -14.546  19.906  1.00 34.52           C  \\nATOM    545  NE2 GLN B  35      15.972 -14.879  19.856  1.00 31.69           N  \\nATOM    546  OE1 GLN B  35      13.998 -14.661  20.931  1.00 36.85           O  \\nATOM    547  N   VAL B  36      13.299 -13.090  15.423  1.00 35.42           N  \\nATOM    548  CA  VAL B  36      14.040 -13.309  14.194  1.00 34.05           C  \\nATOM    549  C   VAL B  36      15.524 -13.181  14.484  1.00 32.96           C  \\nATOM    550  O   VAL B  36      16.355 -13.539  13.662  1.00 32.08           O  \\nATOM    551  CB  VAL B  36      13.625 -12.342  13.032  1.00 34.46           C  \\nATOM    552  CG1 VAL B  36      12.162 -12.522  12.677  1.00 36.16           C  \\nATOM    553  CG2 VAL B  36      13.887 -10.882  13.389  1.00 34.05           C  \\nATOM    554  N   GLY B  37      15.869 -12.694  15.664  1.00 32.73           N  \\nATOM    555  CA  GLY B  37      17.288 -12.565  15.977  1.00 32.48           C  \\nATOM    556  C   GLY B  37      17.537 -11.787  17.240  1.00 32.62           C  \\nATOM    557  O   GLY B  37      16.610 -11.510  18.012  1.00 32.63           O  \\nATOM    558  N   VAL B  38      18.800 -11.418  17.404  1.00 32.24           N  \\nATOM    559  CA  VAL B  38      19.330 -10.866  18.623  1.00 33.79           C  \\nATOM    560  C   VAL B  38      20.245  -9.675  18.310  1.00 34.76           C  \\nATOM    561  O   VAL B  38      20.910  -9.655  17.264  1.00 34.75           O  \\nATOM    562  CB  VAL B  38      20.134 -11.965  19.397  1.00 33.62           C  \\nATOM    563  CG1 VAL B  38      20.710 -11.429  20.687  1.00 33.36           C  \\nATOM    564  CG2 VAL B  38      19.238 -13.182  19.706  1.00 33.99           C  \\nATOM    565  N   GLY B  39      20.296  -8.697  19.221  1.00 36.08           N  \\nATOM    566  CA  GLY B  39      21.225  -7.584  19.089  1.00 37.08           C  \\nATOM    567  C   GLY B  39      21.746  -7.027  20.396  1.00 38.28           C  \\nATOM    568  O   GLY B  39      21.236  -7.344  21.456  1.00 38.86           O  \\nATOM    569  N   VAL B  40      22.763  -6.174  20.308  1.00 39.01           N  \\nATOM    570  CA  VAL B  40      23.379  -5.582  21.486  1.00 40.45           C  \\nATOM    571  C   VAL B  40      23.345  -4.065  21.426  1.00 41.71           C  \\nATOM    572  O   VAL B  40      23.765  -3.464  20.439  1.00 41.71           O  \\nATOM    573  CB  VAL B  40      24.839  -6.057  21.647  1.00 40.06           C  \\nATOM    574  CG1 VAL B  40      25.517  -5.357  22.823  1.00 41.07           C  \\nATOM    575  CG2 VAL B  40      24.874  -7.554  21.844  1.00 40.08           C  \\nATOM    576  N   GLN B  41      22.840  -3.454  22.490  1.00 43.34           N  \\nATOM    577  CA  GLN B  41      22.858  -2.010  22.628  1.00 45.01           C  \\nATOM    578  C   GLN B  41      24.047  -1.659  23.489  1.00 46.26           C  \\nATOM    579  O   GLN B  41      24.165  -2.146  24.609  1.00 46.73           O  \\nATOM    580  CB  GLN B  41      21.560  -1.497  23.256  1.00 46.19           C  \\nATOM    581  CG  GLN B  41      21.546   0.013  23.584  1.00 48.45           C  \\nATOM    582  CD  GLN B  41      21.151   0.904  22.393  1.00 49.96           C  \\nATOM    583  NE2 GLN B  41      21.085   2.201  22.641  1.00 52.02           N  \\nATOM    584  OE1 GLN B  41      20.898   0.429  21.276  1.00 49.43           O  \\nATOM    585  N   LYS B  42      24.940  -0.840  22.938  1.00 47.59           N  \\nATOM    586  CA  LYS B  42      26.124  -0.347  23.634  1.00 49.06           C  \\nATOM    587  C   LYS B  42      26.366   1.087  23.214  1.00 50.41           C  \\nATOM    588  O   LYS B  42      26.540   1.374  22.027  1.00 49.84           O  \\nATOM    589  CB  LYS B  42      27.353  -1.191  23.300  1.00 48.46           C  \\nATOM    590  CG  LYS B  42      28.550  -0.969  24.248  1.00 51.97           C  \\nATOM    591  CD  LYS B  42      29.881  -1.171  23.510  1.00 55.93           C  \\nATOM    592  CE  LYS B  42      31.132  -1.029  24.410  1.00 59.41           C  \\nATOM    593  NZ  LYS B  42      32.395  -1.269  23.606  1.00 58.71           N1+\\nATOM    594  N   GLU B  43      26.348   1.990  24.192  1.00 52.63           N  \\nATOM    595  CA  GLU B  43      26.655   3.399  23.958  1.00 54.45           C  \\nATOM    596  C   GLU B  43      25.734   4.048  22.930  1.00 53.97           C  \\nATOM    597  O   GLU B  43      26.206   4.746  22.035  1.00 54.70           O  \\nATOM    598  CB  GLU B  43      28.116   3.555  23.522  1.00 54.97           C  \\nATOM    599  CG  GLU B  43      29.133   3.161  24.588  1.00 58.59           C  \\nATOM    600  CD  GLU B  43      30.551   3.010  24.041  1.00 62.17           C  \\nATOM    601  OE1 GLU B  43      31.490   2.880  24.859  1.00 64.16           O  \\nATOM    602  OE2 GLU B  43      30.731   3.019  22.801  1.00 62.49           O1-\\nATOM    603  N   GLY B  44      24.427   3.815  23.052  1.00 53.27           N  \\nATOM    604  CA  GLY B  44      23.439   4.443  22.167  1.00 53.00           C  \\nATOM    605  C   GLY B  44      23.247   3.791  20.802  1.00 51.30           C  \\nATOM    606  O   GLY B  44      22.352   4.168  20.054  1.00 52.08           O  \\nATOM    607  N   VAL B  45      24.080   2.806  20.476  1.00 49.40           N  \\nATOM    608  CA  VAL B  45      24.042   2.143  19.170  1.00 46.90           C  \\nATOM    609  C   VAL B  45      23.572   0.681  19.305  1.00 44.96           C  \\nATOM    610  O   VAL B  45      24.016  -0.055  20.196  1.00 44.29           O  \\nATOM    611  CB  VAL B  45      25.437   2.247  18.476  1.00 47.10           C  \\nATOM    612  CG1 VAL B  45      25.497   1.442  17.173  1.00 44.70           C  \\nATOM    613  CG2 VAL B  45      25.816   3.738  18.246  1.00 48.42           C  \\nATOM    614  N   PHE B  46      22.656   0.280  18.427  1.00 43.20           N  \\nATOM    615  CA  PHE B  46      22.148  -1.076  18.416  1.00 41.24           C  \\nATOM    616  C   PHE B  46      22.851  -1.899  17.339  1.00 39.55           C  \\nATOM    617  O   PHE B  46      22.769  -1.566  16.161  1.00 39.58           O  \\nATOM    618  CB  PHE B  46      20.639  -1.068  18.201  1.00 41.40           C  \\nATOM    619  CG  PHE B  46      19.996  -2.393  18.423  1.00 40.18           C  \\nATOM    620  CD1 PHE B  46      19.756  -2.859  19.714  1.00 40.14           C  \\nATOM    621  CD2 PHE B  46      19.638  -3.193  17.340  1.00 39.45           C  \\nATOM    622  CE1 PHE B  46      19.151  -4.094  19.927  1.00 39.36           C  \\nATOM    623  CE2 PHE B  46      19.034  -4.435  17.540  1.00 38.32           C  \\nATOM    624  CZ  PHE B  46      18.793  -4.888  18.833  1.00 38.42           C  \\nATOM    625  N   HIS B  47      23.537  -2.966  17.762  1.00 37.69           N  \\nATOM    626  CA  HIS B  47      24.379  -3.788  16.886  1.00 35.90           C  \\nATOM    627  C   HIS B  47      23.744  -5.135  16.625  1.00 34.19           C  \\nATOM    628  O   HIS B  47      23.417  -5.850  17.550  1.00 34.37           O  \\nATOM    629  CB  HIS B  47      25.759  -4.054  17.516  1.00 35.89           C  \\nATOM    630  CG  HIS B  47      26.461  -2.823  17.995  1.00 37.25           C  \\nATOM    631  CD2 HIS B  47      27.539  -2.164  17.505  1.00 37.08           C  \\nATOM    632  ND1 HIS B  47      26.067  -2.133  19.123  1.00 38.04           N  \\nATOM    633  CE1 HIS B  47      26.858  -1.087  19.292  1.00 39.44           C  \\nATOM    634  NE2 HIS B  47      27.761  -1.086  18.326  1.00 38.94           N  \\nATOM    635  N   THR B  48      23.596  -5.501  15.367  1.00 33.03           N  \\nATOM    636  CA  THR B  48      23.101  -6.823  15.058  1.00 32.18           C  \\nATOM    637  C   THR B  48      23.725  -7.350  13.772  1.00 31.97           C  \\nATOM    638  O   THR B  48      24.716  -6.788  13.264  1.00 32.62           O  \\nATOM    639  CB  THR B  48      21.517  -6.916  15.109  1.00 32.71           C  \\nATOM    640  CG2 THR B  48      20.829  -5.945  14.135  1.00 32.11           C  \\nATOM    641  OG1 THR B  48      21.104  -8.260  14.820  1.00 32.87           O  \\nATOM    642  N   MET B  49      23.200  -8.452  13.260  1.00 31.62           N  \\nATOM    643  CA  MET B  49      23.757  -9.020  12.036  1.00 31.28           C  \\nATOM    644  C   MET B  49      22.927  -8.617  10.825  1.00 30.99           C  \\nATOM    645  O   MET B  49      21.697  -8.603  10.876  1.00 31.07           O  \\nATOM    646  CB  MET B  49      23.882 -10.538  12.148  1.00 31.49           C  \\nATOM    647  CG  MET B  49      24.835 -11.004  13.261  1.00 32.43           C  \\nATOM    648  SD  MET B  49      25.236 -12.728  13.018  1.00 35.86           S  \\nATOM    649  CE  MET B  49      26.784 -12.621  12.116  1.00 32.00           C  \\nATOM    650  N   TRP B  50      23.601  -8.302   9.726  1.00 31.12           N  \\nATOM    651  CA  TRP B  50      22.907  -7.861   8.517  1.00 31.34           C  \\nATOM    652  C   TRP B  50      21.714  -8.759   8.140  1.00 31.82           C  \\nATOM    653  O   TRP B  50      20.623  -8.256   7.861  1.00 32.41           O  \\nATOM    654  CB  TRP B  50      23.877  -7.728   7.340  1.00 31.25           C  \\nATOM    655  CG  TRP B  50      23.174  -7.736   6.038  1.00 30.95           C  \\nATOM    656  CD1 TRP B  50      23.090  -8.772   5.162  1.00 28.32           C  \\nATOM    657  CD2 TRP B  50      22.437  -6.653   5.459  1.00 32.10           C  \\nATOM    658  CE2 TRP B  50      21.904  -7.123   4.239  1.00 31.93           C  \\nATOM    659  CE3 TRP B  50      22.143  -5.347   5.875  1.00 34.34           C  \\nATOM    660  NE1 TRP B  50      22.321  -8.419   4.083  1.00 31.24           N  \\nATOM    661  CZ2 TRP B  50      21.114  -6.334   3.415  1.00 33.13           C  \\nATOM    662  CZ3 TRP B  50      21.348  -4.557   5.064  1.00 36.10           C  \\nATOM    663  CH2 TRP B  50      20.841  -5.056   3.838  1.00 36.34           C  \\nATOM    664  N   HIS B  51      21.909 -10.078   8.145  1.00 31.74           N  \\nATOM    665  CA  HIS B  51      20.906 -10.975   7.577  1.00 32.12           C  \\nATOM    666  C   HIS B  51      19.658 -11.086   8.453  1.00 32.82           C  \\nATOM    667  O   HIS B  51      18.642 -11.603   8.010  1.00 33.87           O  \\nATOM    668  CB  HIS B  51      21.499 -12.355   7.238  1.00 31.31           C  \\nATOM    669  CG  HIS B  51      21.656 -13.255   8.427  1.00 31.50           C  \\nATOM    670  CD2 HIS B  51      20.748 -13.997   9.109  1.00 29.26           C  \\nATOM    671  ND1 HIS B  51      22.866 -13.443   9.066  1.00 28.53           N  \\nATOM    672  CE1 HIS B  51      22.695 -14.263  10.091  1.00 30.60           C  \\nATOM    673  NE2 HIS B  51      21.420 -14.616  10.138  1.00 31.63           N  \\nATOM    674  N   VAL B  52      19.730 -10.587   9.687  1.00 33.56           N  \\nATOM    675  CA  VAL B  52      18.587 -10.611  10.607  1.00 34.03           C  \\nATOM    676  C   VAL B  52      17.534  -9.547  10.241  1.00 36.00           C  \\nATOM    677  O   VAL B  52      16.332  -9.830  10.242  1.00 37.05           O  \\nATOM    678  CB  VAL B  52      19.048 -10.493  12.096  1.00 33.75           C  \\nATOM    679  CG1 VAL B  52      17.909 -10.106  13.016  1.00 33.91           C  \\nATOM    680  CG2 VAL B  52      19.673 -11.811  12.570  1.00 32.18           C  \\nATOM    681  N   THR B  53      17.983  -8.343   9.896  1.00 36.82           N  \\nATOM    682  CA  THR B  53      17.074  -7.218   9.656  1.00 38.28           C  \\nATOM    683  C   THR B  53      17.062  -6.765   8.195  1.00 39.08           C  \\nATOM    684  O   THR B  53      16.067  -6.206   7.722  1.00 39.39           O  \\nATOM    685  CB  THR B  53      17.453  -5.990  10.520  1.00 38.57           C  \\nATOM    686  CG2 THR B  53      17.605  -6.378  11.996  1.00 37.24           C  \\nATOM    687  OG1 THR B  53      18.678  -5.425  10.024  1.00 38.96           O  \\nATOM    688  N   ARG B  54      18.177  -7.002   7.499  1.00 38.91           N  \\nATOM    689  CA  ARG B  54      18.403  -6.493   6.138  1.00 40.08           C  \\nATOM    690  C   ARG B  54      18.153  -4.978   6.015  1.00 41.25           C  \\nATOM    691  O   ARG B  54      17.742  -4.481   4.964  1.00 41.91           O  \\nATOM    692  CB  ARG B  54      17.629  -7.309   5.079  1.00 40.30           C  \\nATOM    693  CG  ARG B  54      17.973  -8.791   5.094  1.00 41.24           C  \\nATOM    694  CD  ARG B  54      17.638  -9.573   3.811  1.00 44.49           C  \\nATOM    695  NE  ARG B  54      18.237 -10.916   3.875  1.00 44.90           N  \\nATOM    696  CZ  ARG B  54      17.678 -11.974   4.471  1.00 46.74           C  \\nATOM    697  NH1 ARG B  54      16.481 -11.897   5.050  1.00 46.53           N1+\\nATOM    698  NH2 ARG B  54      18.319 -13.130   4.490  1.00 47.93           N  \\nATOM    699  N   GLY B  55      18.433  -4.255   7.099  1.00 41.70           N  \\nATOM    700  CA  GLY B  55      18.343  -2.800   7.112  1.00 42.76           C  \\nATOM    701  C   GLY B  55      16.975  -2.253   7.468  1.00 43.97           C  \\nATOM    702  O   GLY B  55      16.780  -1.049   7.471  1.00 45.25           O  \\nATOM    703  N   ALA B  56      16.027  -3.134   7.767  1.00 44.10           N  \\nATOM    704  CA  ALA B  56      14.663  -2.721   8.077  1.00 45.66           C  \\nATOM    705  C   ALA B  56      14.643  -1.832   9.312  1.00 46.66           C  \\nATOM    706  O   ALA B  56      15.527  -1.919  10.166  1.00 46.32           O  \\nATOM    707  CB  ALA B  56      13.768  -3.935   8.270  1.00 45.09           C  \\nATOM    708  N   VAL B  57      13.638  -0.972   9.399  1.00 48.33           N  \\nATOM    709  CA  VAL B  57      13.536  -0.036  10.501  1.00 49.89           C  \\nATOM    710  C   VAL B  57      13.178  -0.789  11.774  1.00 50.30           C  \\nATOM    711  O   VAL B  57      12.316  -1.666  11.763  1.00 50.41           O  \\nATOM    712  CB  VAL B  57      12.495   1.068  10.207  1.00 51.50           C  \\nATOM    713  CG1 VAL B  57      12.371   2.021  11.376  1.00 52.19           C  \\nATOM    714  CG2 VAL B  57      12.881   1.838   8.947  1.00 51.91           C  \\nATOM    715  N   LEU B  58      13.874  -0.472  12.857  1.00 51.07           N  \\nATOM    716  CA  LEU B  58      13.515  -0.997  14.160  1.00 52.62           C  \\nATOM    717  C   LEU B  58      12.623  -0.003  14.892  1.00 55.88           C  \\nATOM    718  O   LEU B  58      12.608   1.197  14.590  1.00 57.22           O  \\nATOM    719  CB  LEU B  58      14.764  -1.301  14.994  1.00 51.67           C  \\nATOM    720  CG  LEU B  58      15.827  -2.222  14.389  1.00 49.60           C  \\nATOM    721  CD1 LEU B  58      16.988  -2.334  15.339  1.00 49.29           C  \\nATOM    722  CD2 LEU B  58      15.291  -3.593  14.044  1.00 47.72           C  \\nATOM    723  N   THR B  59      11.870  -0.500  15.862  1.00 57.98           N  \\nATOM    724  CA  THR B  59      10.907   0.340  16.536  1.00 61.08           C  \\nATOM    725  C   THR B  59      10.904   0.056  18.038  1.00 62.59           C  \\nATOM    726  O   THR B  59      10.822  -1.101  18.472  1.00 61.66           O  \\nATOM    727  CB  THR B  59       9.517   0.215  15.864  1.00 61.86           C  \\nATOM    728  CG2 THR B  59       8.529  -0.623  16.683  1.00 62.79           C  \\nATOM    729  OG1 THR B  59       8.984   1.522  15.648  1.00 64.67           O  \\nATOM    730  N   HIS B  60      11.050   1.115  18.831  1.00 65.23           N  \\nATOM    731  CA  HIS B  60      10.940   0.966  20.277  1.00 67.39           C  \\nATOM    732  C   HIS B  60      10.016   2.002  20.865  1.00 70.53           C  \\nATOM    733  O   HIS B  60      10.140   3.206  20.589  1.00 71.58           O  \\nATOM    734  CB  HIS B  60      12.296   0.976  20.977  1.00 66.68           C  \\nATOM    735  CG  HIS B  60      12.222   0.558  22.412  1.00 67.90           C  \\nATOM    736  CD2 HIS B  60      11.998  -0.652  22.976  1.00 67.82           C  \\nATOM    737  ND1 HIS B  60      12.367   1.447  23.457  1.00 70.36           N  \\nATOM    738  CE1 HIS B  60      12.250   0.797  24.603  1.00 70.72           C  \\nATOM    739  NE2 HIS B  60      12.028  -0.478  24.339  1.00 69.02           N  \\nATOM    740  N   ASN B  61       9.103   1.507  21.695  1.00 72.56           N  \\nATOM    741  CA  ASN B  61       7.932   2.257  22.141  1.00 75.94           C  \\nATOM    742  C   ASN B  61       6.966   2.489  20.958  1.00 76.77           C  \\nATOM    743  O   ASN B  61       6.288   1.536  20.560  1.00 76.81           O  \\nATOM    744  CB  ASN B  61       8.310   3.520  22.939  1.00 77.83           C  \\nATOM    745  CG  ASN B  61       9.222   3.212  24.125  1.00 78.73           C  \\nATOM    746  ND2 ASN B  61      10.327   3.946  24.232  1.00 79.76           N  \\nATOM    747  OD1 ASN B  61       8.936   2.319  24.931  1.00 79.68           O  \\nATOM    748  N   GLY B  62       6.924   3.668  20.331  1.00 77.75           N  \\nATOM    749  CA  GLY B  62       7.881   4.763  20.472  1.00 77.68           C  \\nATOM    750  C   GLY B  62       8.135   5.294  19.076  1.00 76.84           C  \\nATOM    751  O   GLY B  62       7.188   5.576  18.335  1.00 77.81           O  \\nATOM    752  N   LYS B  63       9.401   5.431  18.698  1.00 74.85           N  \\nATOM    753  CA  LYS B  63       9.694   5.878  17.342  1.00 73.90           C  \\nATOM    754  C   LYS B  63      10.782   5.068  16.616  1.00 70.94           C  \\nATOM    755  O   LYS B  63      11.277   4.054  17.115  1.00 69.46           O  \\nATOM    756  CB  LYS B  63       9.919   7.404  17.265  1.00 75.86           C  \\nATOM    757  CG  LYS B  63       8.605   8.200  17.093  1.00 78.80           C  \\nATOM    758  CD  LYS B  63       8.749   9.480  16.251  1.00 80.20           C  \\nATOM    759  CE  LYS B  63       8.746  10.745  17.108  1.00 82.63           C  \\nATOM    760  NZ  LYS B  63      10.085  11.054  17.685  1.00 82.21           N1+\\nATOM    761  N   ARG B  64      11.118   5.535  15.420  1.00 69.90           N  \\nATOM    762  CA  ARG B  64      12.005   4.839  14.511  1.00 67.06           C  \\nATOM    763  C   ARG B  64      13.460   4.806  14.990  1.00 65.15           C  \\nATOM    764  O   ARG B  64      13.932   5.701  15.697  1.00 66.16           O  \\nATOM    765  CB  ARG B  64      11.900   5.446  13.107  1.00 67.63           C  \\nATOM    766  CG  ARG B  64      10.536   5.252  12.451  1.00 69.25           C  \\nATOM    767  CD  ARG B  64      10.464   5.952  11.102  1.00 72.12           C  \\nATOM    768  NE  ARG B  64       9.228   5.632  10.380  1.00 74.72           N  \\nATOM    769  CZ  ARG B  64       8.169   6.439  10.277  1.00 77.57           C  \\nATOM    770  NH1 ARG B  64       7.097   6.042   9.596  1.00 78.83           N1+\\nATOM    771  NH2 ARG B  64       8.169   7.641  10.850  1.00 79.37           N  \\nATOM    772  N   LEU B  65      14.134   3.725  14.622  1.00 61.90           N  \\nATOM    773  CA  LEU B  65      15.556   3.548  14.814  1.00 59.50           C  \\nATOM    774  C   LEU B  65      16.014   3.012  13.473  1.00 57.05           C  \\nATOM    775  O   LEU B  65      15.494   2.008  12.979  1.00 55.53           O  \\nATOM    776  CB  LEU B  65      15.815   2.555  15.942  1.00 59.08           C  \\nATOM    777  CG  LEU B  65      17.213   2.348  16.535  1.00 59.18           C  \\nATOM    778  CD1 LEU B  65      18.040   3.638  16.612  1.00 60.78           C  \\nATOM    779  CD2 LEU B  65      17.072   1.693  17.918  1.00 59.40           C  \\nATOM    780  N   GLU B  66      16.962   3.714  12.869  1.00 55.73           N  \\nATOM    781  CA  GLU B  66      17.267   3.520  11.468  1.00 53.89           C  \\nATOM    782  C   GLU B  66      18.736   3.137  11.301  1.00 51.28           C  \\nATOM    783  O   GLU B  66      19.567   3.515  12.125  1.00 51.79           O  \\nATOM    784  CB  GLU B  66      16.916   4.796  10.698  1.00 55.55           C  \\nATOM    785  CG  GLU B  66      15.903   4.572   9.595  1.00 57.67           C  \\nATOM    786  CD  GLU B  66      15.153   5.830   9.220  1.00 62.32           C  \\nATOM    787  OE1 GLU B  66      15.807   6.842   8.890  1.00 64.87           O  \\nATOM    788  OE2 GLU B  66      13.901   5.811   9.245  1.00 64.42           O1-\\nATOM    789  N   PRO B  67      19.064   2.370  10.249  1.00 48.68           N  \\nATOM    790  CA  PRO B  67      20.450   1.903  10.141  1.00 46.52           C  \\nATOM    791  C   PRO B  67      21.421   3.021   9.791  1.00 46.15           C  \\nATOM    792  O   PRO B  67      21.087   3.911   9.027  1.00 47.12           O  \\nATOM    793  CB  PRO B  67      20.393   0.851   9.014  1.00 45.28           C  \\nATOM    794  CG  PRO B  67      19.193   1.226   8.200  1.00 46.88           C  \\nATOM    795  CD  PRO B  67      18.205   1.850   9.165  1.00 48.15           C  \\nATOM    796  N   ASN B  68      22.620   2.961  10.353  1.00 44.82           N  \\nATOM    797  CA  ASN B  68      23.641   3.958  10.090  1.00 44.87           C  \\nATOM    798  C   ASN B  68      24.882   3.369   9.432  1.00 43.24           C  \\nATOM    799  O   ASN B  68      25.597   4.059   8.700  1.00 44.17           O  \\nATOM    800  CB  ASN B  68      24.028   4.688  11.380  1.00 45.67           C  \\nATOM    801  CG  ASN B  68      22.972   5.676  11.827  1.00 48.39           C  \\nATOM    802  ND2 ASN B  68      21.794   5.177  12.185  1.00 49.62           N  \\nATOM    803  OD1 ASN B  68      23.209   6.882  11.842  1.00 51.87           O  \\nATOM    804  N   TRP B  69      25.152   2.105   9.711  1.00 40.43           N  \\nATOM    805  CA  TRP B  69      26.278   1.420   9.096  1.00 39.32           C  \\nATOM    806  C   TRP B  69      25.937  -0.058   8.846  1.00 37.34           C  \\nATOM    807  O   TRP B  69      25.331  -0.701   9.678  1.00 37.27           O  \\nATOM    808  CB  TRP B  69      27.552   1.567   9.954  1.00 38.87           C  \\nATOM    809  CG  TRP B  69      28.723   0.791   9.406  1.00 37.89           C  \\nATOM    810  CD1 TRP B  69      29.652   1.232   8.503  1.00 37.89           C  \\nATOM    811  CD2 TRP B  69      29.082  -0.565   9.718  1.00 36.30           C  \\nATOM    812  CE2 TRP B  69      30.242  -0.874   8.968  1.00 36.16           C  \\nATOM    813  CE3 TRP B  69      28.542  -1.545  10.566  1.00 35.63           C  \\nATOM    814  NE1 TRP B  69      30.564   0.237   8.231  1.00 36.78           N  \\nATOM    815  CZ2 TRP B  69      30.866  -2.124   9.032  1.00 36.00           C  \\nATOM    816  CZ3 TRP B  69      29.163  -2.788  10.635  1.00 33.87           C  \\nATOM    817  CH2 TRP B  69      30.316  -3.066   9.872  1.00 36.15           C  \\nATOM    818  N   ALA B  70      26.324  -0.593   7.699  1.00 36.56           N  \\nATOM    819  CA  ALA B  70      26.067  -1.998   7.416  1.00 34.88           C  \\nATOM    820  C   ALA B  70      27.124  -2.507   6.474  1.00 34.56           C  \\nATOM    821  O   ALA B  70      27.625  -1.750   5.649  1.00 35.38           O  \\nATOM    822  CB  ALA B  70      24.674  -2.191   6.806  1.00 34.94           C  \\nATOM    823  N   SER B  71      27.465  -3.785   6.613  1.00 33.31           N  \\nATOM    824  CA  SER B  71      28.344  -4.470   5.680  1.00 33.12           C  \\nATOM    825  C   SER B  71      27.889  -5.895   5.423  1.00 32.01           C  \\nATOM    826  O   SER B  71      27.892  -6.727   6.327  1.00 31.21           O  \\nATOM    827  CB  SER B  71      29.778  -4.469   6.200  1.00 33.26           C  \\nATOM    828  OG  SER B  71      30.526  -5.459   5.529  1.00 34.68           O  \\nATOM    829  N   VAL B  72      27.520  -6.180   4.182  1.00 32.76           N  \\nATOM    830  CA  VAL B  72      27.094  -7.537   3.794  1.00 32.89           C  \\nATOM    831  C   VAL B  72      28.184  -8.612   3.988  1.00 33.45           C  \\nATOM    832  O   VAL B  72      27.908  -9.667   4.552  1.00 32.98           O  \\nATOM    833  CB  VAL B  72      26.506  -7.585   2.354  1.00 33.27           C  \\nATOM    834  CG1 VAL B  72      26.036  -8.999   2.013  1.00 32.26           C  \\nATOM    835  CG2 VAL B  72      25.323  -6.636   2.250  1.00 32.63           C  \\nATOM    836  N   LYS B  73      29.412  -8.337   3.551  1.00 34.95           N  \\nATOM    837  CA  LYS B  73      30.508  -9.298   3.677  1.00 35.90           C  \\nATOM    838  C   LYS B  73      30.737  -9.672   5.146  1.00 35.74           C  \\nATOM    839  O   LYS B  73      30.887 -10.852   5.488  1.00 35.55           O  \\nATOM    840  CB  LYS B  73      31.776  -8.723   3.044  1.00 37.35           C  \\nATOM    841  CG  LYS B  73      32.919  -9.710   2.851  1.00 39.76           C  \\nATOM    842  CD  LYS B  73      34.208  -8.972   2.493  1.00 43.96           C  \\nATOM    843  CE  LYS B  73      35.436  -9.837   2.763  1.00 46.82           C  \\nATOM    844  NZ  LYS B  73      35.701 -10.737   1.610  1.00 50.26           N1+\\nATOM    845  N   LYS B  74      30.733  -8.656   6.006  1.00 36.18           N  \\nATOM    846  CA  LYS B  74      30.868  -8.809   7.445  1.00 35.83           C  \\nATOM    847  C   LYS B  74      29.629  -9.450   8.039  1.00 35.06           C  \\nATOM    848  O   LYS B  74      29.710 -10.084   9.103  1.00 35.19           O  \\nATOM    849  CB  LYS B  74      31.011  -7.424   8.081  1.00 36.95           C  \\nATOM    850  CG  LYS B  74      32.398  -7.010   8.571  1.00 39.92           C  \\nATOM    851  CD  LYS B  74      33.514  -7.387   7.630  1.00 43.33           C  \\nATOM    852  CE  LYS B  74      34.824  -6.769   8.110  1.00 47.05           C  \\nATOM    853  NZ  LYS B  74      34.942  -5.335   7.639  1.00 48.80           N1+\\nATOM    854  N   ASP B  75      28.479  -9.238   7.385  1.00 34.13           N  \\nATOM    855  CA  ASP B  75      27.171  -9.636   7.913  1.00 33.45           C  \\nATOM    856  C   ASP B  75      26.912  -8.959   9.241  1.00 33.01           C  \\nATOM    857  O   ASP B  75      26.552  -9.616  10.222  1.00 33.42           O  \\nATOM    858  CB  ASP B  75      27.045 -11.159   8.071  1.00 33.14           C  \\nATOM    859  CG  ASP B  75      25.595 -11.615   8.218  1.00 34.08           C  \\nATOM    860  OD1 ASP B  75      24.665 -10.821   7.902  1.00 35.91           O  \\nATOM    861  OD2 ASP B  75      25.379 -12.775   8.654  1.00 33.16           O1-\\nATOM    862  N   LEU B  76      27.112  -7.645   9.263  1.00 32.75           N  \\nATOM    863  CA  LEU B  76      26.908  -6.824  10.450  1.00 31.98           C  \\nATOM    864  C   LEU B  76      26.164  -5.532  10.089  1.00 32.41           C  \\nATOM    865  O   LEU B  76      26.273  -5.034   8.963  1.00 31.96           O  \\nATOM    866  CB  LEU B  76      28.247  -6.498  11.121  1.00 32.30           C  \\nATOM    867  CG  LEU B  76      29.133  -7.659  11.620  1.00 32.61           C  \\nATOM    868  CD1 LEU B  76      30.523  -7.171  12.035  1.00 32.25           C  \\nATOM    869  CD2 LEU B  76      28.465  -8.365  12.779  1.00 31.56           C  \\nATOM    870  N   ILE B  77      25.390  -5.015  11.044  1.00 31.69           N  \\nATOM    871  CA  ILE B  77      24.691  -3.742  10.869  1.00 31.93           C  \\nATOM    872  C   ILE B  77      24.585  -2.999  12.216  1.00 32.77           C  \\nATOM    873  O   ILE B  77      24.549  -3.625  13.282  1.00 31.89           O  \\nATOM    874  CB  ILE B  77      23.298  -3.974  10.212  1.00 31.74           C  \\nATOM    875  CG1 ILE B  77      22.609  -2.644   9.861  1.00 31.32           C  \\nATOM    876  CG2 ILE B  77      22.440  -4.902  11.068  1.00 29.39           C  \\nATOM    877  CD1 ILE B  77      21.362  -2.809   8.997  1.00 29.83           C  \\nATOM    878  N   SER B  78      24.580  -1.669  12.179  1.00 34.13           N  \\nATOM    879  CA  SER B  78      24.422  -0.897  13.410  1.00 35.24           C  \\nATOM    880  C   SER B  78      23.385   0.200  13.256  1.00 36.41           C  \\nATOM    881  O   SER B  78      23.327   0.886  12.231  1.00 37.01           O  \\nATOM    882  CB  SER B  78      25.771  -0.361  13.909  1.00 35.92           C  \\nATOM    883  OG  SER B  78      26.304   0.618  13.036  1.00 37.67           O  \\nATOM    884  N   TYR B  79      22.556   0.351  14.278  1.00 37.10           N  \\nATOM    885  CA  TYR B  79      21.480   1.341  14.253  1.00 38.63           C  \\nATOM    886  C   TYR B  79      21.782   2.469  15.226  1.00 40.58           C  \\nATOM    887  O   TYR B  79      22.123   2.215  16.381  1.00 40.89           O  \\nATOM    888  CB  TYR B  79      20.150   0.692  14.627  1.00 37.91           C  \\nATOM    889  CG  TYR B  79      19.564  -0.230  13.590  1.00 36.17           C  \\nATOM    890  CD1 TYR B  79      20.089  -1.511  13.370  1.00 34.82           C  \\nATOM    891  CD2 TYR B  79      18.460   0.159  12.853  1.00 36.78           C  \\nATOM    892  CE1 TYR B  79      19.535  -2.364  12.414  1.00 34.01           C  \\nATOM    893  CE2 TYR B  79      17.905  -0.667  11.899  1.00 35.97           C  \\nATOM    894  CZ  TYR B  79      18.432  -1.924  11.685  1.00 35.94           C  \\nATOM    895  OH  TYR B  79      17.845  -2.732  10.741  1.00 34.90           O  \\nATOM    896  N   GLY B  80      21.684   3.711  14.749  1.00 42.59           N  \\nATOM    897  CA  GLY B  80      21.827   4.901  15.606  1.00 44.91           C  \\nATOM    898  C   GLY B  80      23.207   5.537  15.641  1.00 46.01           C  \\nATOM    899  O   GLY B  80      23.397   6.613  16.214  1.00 47.93           O  \\nATOM    900  N   GLY B  81      24.175   4.869  15.033  1.00 45.20           N  \\nATOM    901  CA  GLY B  81      25.548   5.353  14.992  1.00 46.11           C  \\nATOM    902  C   GLY B  81      26.407   4.307  14.322  1.00 45.24           C  \\nATOM    903  O   GLY B  81      25.896   3.278  13.854  1.00 43.79           O  \\nATOM    904  N   GLY B  82      27.707   4.571  14.266  1.00 46.11           N  \\nATOM    905  CA  GLY B  82      28.658   3.611  13.735  1.00 46.17           C  \\nATOM    906  C   GLY B  82      28.946   2.535  14.772  1.00 46.05           C  \\nATOM    907  O   GLY B  82      28.526   2.641  15.923  1.00 46.63           O  \\nATOM    908  N   TRP B  83      29.673   1.508  14.355  1.00 45.55           N  \\nATOM    909  CA  TRP B  83      30.007   0.365  15.194  1.00 45.32           C  \\nATOM    910  C   TRP B  83      30.802   0.770  16.436  1.00 47.04           C  \\nATOM    911  O   TRP B  83      31.790   1.495  16.329  1.00 48.54           O  \\nATOM    912  CB  TRP B  83      30.815  -0.628  14.363  1.00 44.20           C  \\nATOM    913  CG  TRP B  83      30.827  -2.004  14.900  1.00 42.35           C  \\nATOM    914  CD1 TRP B  83      31.841  -2.606  15.586  1.00 41.04           C  \\nATOM    915  CD2 TRP B  83      29.781  -2.974  14.789  1.00 40.73           C  \\nATOM    916  CE2 TRP B  83      30.230  -4.145  15.436  1.00 40.20           C  \\nATOM    917  CE3 TRP B  83      28.507  -2.966  14.210  1.00 40.79           C  \\nATOM    918  NE1 TRP B  83      31.492  -3.895  15.907  1.00 40.20           N  \\nATOM    919  CZ2 TRP B  83      29.446  -5.301  15.525  1.00 39.70           C  \\nATOM    920  CZ3 TRP B  83      27.730  -4.112  14.298  1.00 40.35           C  \\nATOM    921  CH2 TRP B  83      28.206  -5.266  14.952  1.00 39.17           C  \\nATOM    922  N   ARG B  84      30.367   0.294  17.603  1.00 47.66           N  \\nATOM    923  CA  ARG B  84      30.975   0.665  18.894  1.00 49.84           C  \\nATOM    924  C   ARG B  84      31.600  -0.500  19.663  1.00 49.46           C  \\nATOM    925  O   ARG B  84      32.173  -0.298  20.734  1.00 51.22           O  \\nATOM    926  CB  ARG B  84      29.956   1.373  19.796  1.00 50.48           C  \\nATOM    927  CG  ARG B  84      29.341   2.632  19.193  1.00 54.21           C  \\nATOM    928  CD  ARG B  84      30.228   3.868  19.313  1.00 59.13           C  \\nATOM    929  NE  ARG B  84      29.931   4.777  18.206  1.00 64.67           N  \\nATOM    930  CZ  ARG B  84      29.242   5.916  18.297  1.00 67.63           C  \\nATOM    931  NH1 ARG B  84      29.029   6.629  17.195  1.00 68.51           N1+\\nATOM    932  NH2 ARG B  84      28.772   6.350  19.468  1.00 69.01           N  \\nATOM    933  N   LEU B  85      31.478  -1.711  19.130  1.00 48.28           N  \\nATOM    934  CA  LEU B  85      32.063  -2.902  19.749  1.00 47.81           C  \\nATOM    935  C   LEU B  85      33.481  -3.121  19.216  1.00 48.51           C  \\nATOM    936  O   LEU B  85      33.670  -3.720  18.158  1.00 48.03           O  \\nATOM    937  CB  LEU B  85      31.189  -4.130  19.474  1.00 45.98           C  \\nATOM    938  CG  LEU B  85      29.678  -4.032  19.727  1.00 45.98           C  \\nATOM    939  CD1 LEU B  85      28.949  -5.254  19.184  1.00 43.12           C  \\nATOM    940  CD2 LEU B  85      29.347  -3.839  21.198  1.00 46.56           C  \\nATOM    941  N   SER B  86      34.473  -2.638  19.963  1.00 50.18           N  \\nATOM    942  CA  SER B  86      35.867  -2.595  19.506  1.00 51.27           C  \\nATOM    943  C   SER B  86      36.764  -3.756  19.964  1.00 51.33           C  \\nATOM    944  O   SER B  86      37.886  -3.898  19.464  1.00 51.97           O  \\nATOM    945  CB  SER B  86      36.505  -1.290  19.972  1.00 53.10           C  \\nATOM    946  OG  SER B  86      36.587  -1.269  21.388  1.00 54.46           O  \\nATOM    947  N   ALA B  87      36.295  -4.557  20.922  1.00 50.59           N  \\nATOM    948  CA  ALA B  87      37.096  -5.655  21.461  1.00 50.56           C  \\nATOM    949  C   ALA B  87      37.352  -6.734  20.412  1.00 49.87           C  \\nATOM    950  O   ALA B  87      36.479  -7.050  19.603  1.00 48.41           O  \\nATOM    951  CB  ALA B  87      36.439  -6.249  22.689  1.00 49.97           C  \\nATOM    952  N   GLN B  88      38.563  -7.280  20.437  1.00 50.91           N  \\nATOM    953  CA  GLN B  88      39.025  -8.251  19.454  1.00 50.93           C  \\nATOM    954  C   GLN B  88      39.303  -9.559  20.183  1.00 50.55           C  \\nATOM    955  O   GLN B  88      39.922  -9.546  21.243  1.00 51.36           O  \\nATOM    956  CB  GLN B  88      40.328  -7.743  18.830  1.00 52.50           C  \\nATOM    957  CG  GLN B  88      40.378  -7.777  17.316  1.00 55.39           C  \\nATOM    958  CD  GLN B  88      39.191  -7.055  16.666  1.00 57.42           C  \\nATOM    959  NE2 GLN B  88      38.683  -7.631  15.582  1.00 56.82           N  \\nATOM    960  OE1 GLN B  88      38.730  -6.003  17.145  1.00 57.59           O  \\nATOM    961  N   TRP B  89      38.856 -10.682  19.623  1.00 49.15           N  \\nATOM    962  CA  TRP B  89      39.168 -11.985  20.197  1.00 48.66           C  \\nATOM    963  C   TRP B  89      40.640 -12.351  20.023  1.00 50.25           C  \\nATOM    964  O   TRP B  89      41.193 -12.173  18.941  1.00 50.46           O  \\nATOM    965  CB  TRP B  89      38.309 -13.066  19.567  1.00 47.21           C  \\nATOM    966  CG  TRP B  89      38.689 -14.436  20.030  1.00 45.40           C  \\nATOM    967  CD1 TRP B  89      38.490 -14.961  21.267  1.00 44.16           C  \\nATOM    968  CD2 TRP B  89      39.342 -15.451  19.263  1.00 43.78           C  \\nATOM    969  CE2 TRP B  89      39.500 -16.569  20.105  1.00 43.55           C  \\nATOM    970  CE3 TRP B  89      39.813 -15.522  17.945  1.00 43.79           C  \\nATOM    971  NE1 TRP B  89      38.976 -16.240  21.326  1.00 43.36           N  \\nATOM    972  CZ2 TRP B  89      40.112 -17.746  19.677  1.00 44.81           C  \\nATOM    973  CZ3 TRP B  89      40.421 -16.693  17.519  1.00 43.96           C  \\nATOM    974  CH2 TRP B  89      40.561 -17.791  18.382  1.00 44.95           C  \\nATOM    975  N   GLN B  90      41.264 -12.860  21.087  1.00 51.39           N  \\nATOM    976  CA  GLN B  90      42.654 -13.330  21.009  1.00 53.66           C  \\nATOM    977  C   GLN B  90      42.701 -14.836  20.800  1.00 53.50           C  \\nATOM    978  O   GLN B  90      41.894 -15.578  21.370  1.00 52.79           O  \\nATOM    979  CB  GLN B  90      43.463 -12.973  22.260  1.00 54.92           C  \\nATOM    980  CG  GLN B  90      43.183 -11.613  22.860  1.00 57.18           C  \\nATOM    981  CD  GLN B  90      43.510 -10.470  21.918  1.00 60.41           C  \\nATOM    982  NE2 GLN B  90      42.605  -9.501  21.842  1.00 61.17           N  \\nATOM    983  OE1 GLN B  90      44.561 -10.452  21.264  1.00 62.80           O  \\nATOM    984  N   LYS B  91      43.650 -15.275  19.978  1.00 54.41           N  \\nATOM    985  CA  LYS B  91      43.865 -16.688  19.706  1.00 54.66           C  \\nATOM    986  C   LYS B  91      44.156 -17.379  21.040  1.00 54.93           C  \\nATOM    987  O   LYS B  91      44.919 -16.868  21.855  1.00 56.28           O  \\nATOM    988  CB  LYS B  91      45.016 -16.849  18.696  1.00 56.42           C  \\nATOM    989  CG  LYS B  91      45.203 -18.252  18.084  1.00 57.44           C  \\nATOM    990  CD  LYS B  91      45.570 -18.143  16.598  1.00 59.25           C  \\nATOM    991  CE  LYS B  91      46.355 -19.357  16.090  1.00 61.54           C  \\nATOM    992  NZ  LYS B  91      47.819 -19.252  16.382  1.00 63.62           N1+\\nATOM    993  N   GLY B  92      43.488 -18.502  21.283  1.00 54.16           N  \\nATOM    994  CA  GLY B  92      43.658 -19.254  22.522  1.00 53.98           C  \\nATOM    995  C   GLY B  92      42.929 -18.798  23.781  1.00 53.17           C  \\nATOM    996  O   GLY B  92      43.089 -19.426  24.826  1.00 53.62           O  \\nATOM    997  N   GLU B  93      42.150 -17.718  23.720  1.00 51.70           N  \\nATOM    998  CA  GLU B  93      41.365 -17.311  24.899  1.00 51.42           C  \\nATOM    999  C   GLU B  93      39.960 -17.833  24.735  1.00 49.01           C  \\nATOM   1000  O   GLU B  93      39.415 -17.819  23.632  1.00 47.96           O  \\nATOM   1001  CB  GLU B  93      41.282 -15.791  25.100  1.00 51.91           C  \\nATOM   1002  CG  GLU B  93      42.332 -14.943  24.416  1.00 55.90           C  \\nATOM   1003  CD  GLU B  93      43.602 -14.790  25.211  1.00 61.41           C  \\nATOM   1004  OE1 GLU B  93      43.793 -13.713  25.834  1.00 63.50           O  \\nATOM   1005  OE2 GLU B  93      44.416 -15.745  25.194  1.00 64.12           O1-\\nATOM   1006  N   GLU B  94      39.363 -18.272  25.832  1.00 47.92           N  \\nATOM   1007  CA  GLU B  94      38.026 -18.825  25.765  1.00 45.84           C  \\nATOM   1008  C   GLU B  94      37.021 -17.694  25.850  1.00 44.53           C  \\nATOM   1009  O   GLU B  94      37.311 -16.656  26.435  1.00 45.44           O  \\nATOM   1010  CB  GLU B  94      37.802 -19.866  26.867  1.00 46.20           C  \\nATOM   1011  CG  GLU B  94      37.794 -19.318  28.281  1.00 47.51           C  \\nATOM   1012  CD  GLU B  94      39.152 -19.338  28.965  1.00 50.03           C  \\nATOM   1013  OE1 GLU B  94      39.165 -19.391  30.211  1.00 52.52           O  \\nATOM   1014  OE2 GLU B  94      40.201 -19.305  28.284  1.00 50.74           O1-\\nATOM   1015  N   VAL B  95      35.843 -17.907  25.273  1.00 42.48           N  \\nATOM   1016  CA  VAL B  95      34.812 -16.884  25.183  1.00 41.22           C  \\nATOM   1017  C   VAL B  95      33.505 -17.423  25.726  1.00 40.40           C  \\nATOM   1018  O   VAL B  95      33.383 -18.614  25.980  1.00 41.58           O  \\nATOM   1019  CB  VAL B  95      34.562 -16.465  23.707  1.00 40.54           C  \\nATOM   1020  CG1 VAL B  95      35.813 -15.843  23.099  1.00 41.52           C  \\nATOM   1021  CG2 VAL B  95      34.093 -17.660  22.870  1.00 38.60           C  \\nATOM   1022  N   GLN B  96      32.522 -16.557  25.900  1.00 39.07           N  \\nATOM   1023  CA  GLN B  96      31.184 -17.019  26.184  1.00 38.05           C  \\nATOM   1024  C   GLN B  96      30.249 -16.482  25.119  1.00 37.23           C  \\nATOM   1025  O   GLN B  96      30.429 -15.367  24.613  1.00 37.04           O  \\nATOM   1026  CB  GLN B  96      30.732 -16.595  27.580  1.00 38.69           C  \\nATOM   1027  CG  GLN B  96      31.443 -17.346  28.726  1.00 40.23           C  \\nATOM   1028  CD  GLN B  96      30.854 -17.071  30.119  1.00 40.65           C  \\nATOM   1029  NE2 GLN B  96      31.307 -17.836  31.112  1.00 41.98           N  \\nATOM   1030  OE1 GLN B  96      30.019 -16.189  30.300  1.00 40.82           O  \\nATOM   1031  N   VAL B  97      29.268 -17.299  24.762  1.00 36.81           N  \\nATOM   1032  CA  VAL B  97      28.164 -16.870  23.928  1.00 36.05           C  \\nATOM   1033  C   VAL B  97      26.958 -16.677  24.831  1.00 36.37           C  \\nATOM   1034  O   VAL B  97      26.585 -17.590  25.571  1.00 37.46           O  \\nATOM   1035  CB  VAL B  97      27.822 -17.914  22.850  1.00 35.46           C  \\nATOM   1036  CG1 VAL B  97      26.739 -17.376  21.897  1.00 34.93           C  \\nATOM   1037  CG2 VAL B  97      29.067 -18.288  22.072  1.00 36.31           C  \\nATOM   1038  N   ILE B  98      26.363 -15.489  24.790  1.00 35.94           N  \\nATOM   1039  CA  ILE B  98      25.124 -15.242  25.504  1.00 35.40           C  \\nATOM   1040  C   ILE B  98      24.005 -15.596  24.539  1.00 35.06           C  \\nATOM   1041  O   ILE B  98      23.536 -14.756  23.760  1.00 35.00           O  \\nATOM   1042  CB  ILE B  98      24.999 -13.776  26.026  1.00 35.85           C  \\nATOM   1043  CG1 ILE B  98      26.230 -13.379  26.845  1.00 36.35           C  \\nATOM   1044  CG2 ILE B  98      23.718 -13.608  26.863  1.00 35.70           C  \\nATOM   1045  CD1 ILE B  98      26.269 -11.911  27.276  1.00 37.04           C  \\nATOM   1046  N   ALA B  99      23.584 -16.852  24.585  1.00 34.66           N  \\nATOM   1047  CA  ALA B  99      22.663 -17.358  23.593  1.00 33.84           C  \\nATOM   1048  C   ALA B  99      21.240 -17.038  23.989  1.00 34.62           C  \\nATOM   1049  O   ALA B  99      20.765 -17.454  25.048  1.00 35.37           O  \\nATOM   1050  CB  ALA B  99      22.843 -18.854  23.419  1.00 33.80           C  \\nATOM   1051  N   VAL B 100      20.557 -16.301  23.130  1.00 34.34           N  \\nATOM   1052  CA  VAL B 100      19.165 -15.963  23.383  1.00 35.21           C  \\nATOM   1053  C   VAL B 100      18.333 -16.636  22.313  1.00 34.97           C  \\nATOM   1054  O   VAL B 100      18.109 -16.071  21.238  1.00 34.52           O  \\nATOM   1055  CB  VAL B 100      18.941 -14.422  23.397  1.00 35.64           C  \\nATOM   1056  CG1 VAL B 100      17.572 -14.080  23.972  1.00 36.09           C  \\nATOM   1057  CG2 VAL B 100      20.044 -13.720  24.204  1.00 34.99           C  \\nATOM   1058  N   GLU B 101      17.903 -17.860  22.597  1.00 35.44           N  \\nATOM   1059  CA  GLU B 101      17.113 -18.621  21.640  1.00 36.23           C  \\nATOM   1060  C   GLU B 101      15.631 -18.253  21.788  1.00 37.42           C  \\nATOM   1061  O   GLU B 101      15.222 -17.824  22.858  1.00 38.01           O  \\nATOM   1062  CB  GLU B 101      17.306 -20.121  21.858  1.00 36.90           C  \\nATOM   1063  CG  GLU B 101      18.735 -20.610  21.837  1.00 37.32           C  \\nATOM   1064  CD  GLU B 101      18.831 -22.136  21.681  1.00 41.96           C  \\nATOM   1065  OE1 GLU B 101      18.757 -22.646  20.535  1.00 42.07           O  \\nATOM   1066  OE2 GLU B 101      19.004 -22.826  22.716  1.00 44.47           O1-\\nATOM   1067  N   PRO B 102      14.834 -18.385  20.708  1.00 37.74           N  \\nATOM   1068  CA  PRO B 102      13.393 -18.176  20.802  1.00 39.16           C  \\nATOM   1069  C   PRO B 102      12.709 -19.021  21.882  1.00 40.79           C  \\nATOM   1070  O   PRO B 102      12.881 -20.256  21.933  1.00 41.06           O  \\nATOM   1071  CB  PRO B 102      12.901 -18.568  19.402  1.00 38.85           C  \\nATOM   1072  CG  PRO B 102      14.011 -18.147  18.529  1.00 37.67           C  \\nATOM   1073  CD  PRO B 102      15.261 -18.510  19.299  1.00 37.06           C  \\nATOM   1074  N   GLY B 103      11.950 -18.346  22.747  1.00 41.83           N  \\nATOM   1075  CA  GLY B 103      11.211 -19.014  23.806  1.00 43.17           C  \\nATOM   1076  C   GLY B 103      12.057 -19.580  24.933  1.00 43.48           C  \\nATOM   1077  O   GLY B 103      11.545 -20.298  25.781  1.00 44.64           O  \\nATOM   1078  N   LYS B 104      13.348 -19.257  24.955  1.00 42.77           N  \\nATOM   1079  CA  LYS B 104      14.248 -19.756  26.006  1.00 43.71           C  \\nATOM   1080  C   LYS B 104      14.878 -18.613  26.803  1.00 43.32           C  \\nATOM   1081  O   LYS B 104      15.172 -17.535  26.263  1.00 42.40           O  \\nATOM   1082  CB  LYS B 104      15.377 -20.624  25.418  1.00 43.18           C  \\nATOM   1083  CG  LYS B 104      14.946 -21.881  24.637  1.00 46.04           C  \\nATOM   1084  CD  LYS B 104      14.728 -23.074  25.557  1.00 52.13           C  \\nATOM   1085  CE  LYS B 104      15.152 -24.383  24.888  1.00 55.35           C  \\nATOM   1086  NZ  LYS B 104      16.647 -24.484  24.703  1.00 55.98           N1+\\nATOM   1087  N   ASN B 105      15.099 -18.862  28.088  1.00 43.72           N  \\nATOM   1088  CA  ASN B 105      15.882 -17.951  28.900  1.00 43.79           C  \\nATOM   1089  C   ASN B 105      17.285 -17.820  28.290  1.00 42.06           C  \\nATOM   1090  O   ASN B 105      17.787 -18.777  27.706  1.00 41.13           O  \\nATOM   1091  CB  ASN B 105      15.940 -18.444  30.354  1.00 45.08           C  \\nATOM   1092  CG  ASN B 105      14.594 -18.315  31.071  1.00 47.19           C  \\nATOM   1093  ND2 ASN B 105      14.208 -19.360  31.796  1.00 47.82           N  \\nATOM   1094  OD1 ASN B 105      13.919 -17.282  30.980  1.00 47.34           O  \\nATOM   1095  N   PRO B 106      17.896 -16.628  28.383  1.00 41.44           N  \\nATOM   1096  CA  PRO B 106      19.273 -16.464  27.933  1.00 40.39           C  \\nATOM   1097  C   PRO B 106      20.178 -17.378  28.743  1.00 40.77           C  \\nATOM   1098  O   PRO B 106      19.898 -17.622  29.913  1.00 42.08           O  \\nATOM   1099  CB  PRO B 106      19.587 -15.002  28.272  1.00 40.79           C  \\nATOM   1100  CG  PRO B 106      18.277 -14.344  28.441  1.00 41.39           C  \\nATOM   1101  CD  PRO B 106      17.357 -15.392  28.978  1.00 42.23           C  \\nATOM   1102  N   LYS B 107      21.234 -17.899  28.124  1.00 40.12           N  \\nATOM   1103  CA  LYS B 107      22.177 -18.760  28.820  1.00 40.57           C  \\nATOM   1104  C   LYS B 107      23.567 -18.613  28.233  1.00 39.77           C  \\nATOM   1105  O   LYS B 107      23.734 -18.692  27.022  1.00 40.28           O  \\nATOM   1106  CB  LYS B 107      21.714 -20.216  28.718  1.00 41.04           C  \\nATOM   1107  CG  LYS B 107      22.351 -21.139  29.734  1.00 42.36           C  \\nATOM   1108  CD  LYS B 107      21.872 -22.564  29.543  1.00 44.52           C  \\nATOM   1109  CE  LYS B 107      22.695 -23.532  30.379  1.00 47.60           C  \\nATOM   1110  NZ  LYS B 107      22.654 -24.900  29.794  1.00 49.30           N1+\\nATOM   1111  N   ASN B 108      24.565 -18.397  29.083  1.00 40.29           N  \\nATOM   1112  CA  ASN B 108      25.959 -18.283  28.640  1.00 39.40           C  \\nATOM   1113  C   ASN B 108      26.580 -19.651  28.417  1.00 39.12           C  \\nATOM   1114  O   ASN B 108      26.425 -20.555  29.232  1.00 40.70           O  \\nATOM   1115  CB  ASN B 108      26.814 -17.529  29.669  1.00 40.26           C  \\nATOM   1116  CG  ASN B 108      26.484 -16.052  29.756  1.00 39.93           C  \\nATOM   1117  ND2 ASN B 108      27.510 -15.231  29.885  1.00 37.04           N  \\nATOM   1118  OD1 ASN B 108      25.320 -15.657  29.742  1.00 42.23           O  \\nATOM   1119  N   PHE B 109      27.300 -19.801  27.325  1.00 38.05           N  \\nATOM   1120  CA  PHE B 109      27.957 -21.054  27.043  1.00 38.07           C  \\nATOM   1121  C   PHE B 109      29.419 -20.775  26.819  1.00 38.19           C  \\nATOM   1122  O   PHE B 109      29.783 -19.982  25.956  1.00 38.33           O  \\nATOM   1123  CB  PHE B 109      27.336 -21.722  25.822  1.00 37.13           C  \\nATOM   1124  CG  PHE B 109      25.945 -22.243  26.060  1.00 37.37           C  \\nATOM   1125  CD1 PHE B 109      25.742 -23.504  26.624  1.00 39.55           C  \\nATOM   1126  CD2 PHE B 109      24.840 -21.478  25.729  1.00 36.05           C  \\nATOM   1127  CE1 PHE B 109      24.440 -23.994  26.839  1.00 39.32           C  \\nATOM   1128  CE2 PHE B 109      23.539 -21.951  25.946  1.00 37.19           C  \\nATOM   1129  CZ  PHE B 109      23.342 -23.209  26.496  1.00 38.07           C  \\nATOM   1130  N   GLN B 110      30.265 -21.398  27.620  1.00 38.94           N  \\nATOM   1131  CA  GLN B 110      31.691 -21.160  27.497  1.00 39.06           C  \\nATOM   1132  C   GLN B 110      32.245 -22.107  26.451  1.00 39.09           C  \\nATOM   1133  O   GLN B 110      31.839 -23.270  26.384  1.00 39.53           O  \\nATOM   1134  CB  GLN B 110      32.391 -21.363  28.839  1.00 39.94           C  \\nATOM   1135  CG  GLN B 110      33.801 -20.841  28.861  1.00 39.72           C  \\nATOM   1136  CD  GLN B 110      34.334 -20.679  30.264  1.00 40.15           C  \\nATOM   1137  NE2 GLN B 110      35.440 -21.359  30.557  1.00 40.97           N  \\nATOM   1138  OE1 GLN B 110      33.773 -19.941  31.075  1.00 39.07           O  \\nATOM   1139  N   THR B 111      33.161 -21.606  25.631  1.00 38.93           N  \\nATOM   1140  CA  THR B 111      33.787 -22.418  24.606  1.00 39.10           C  \\nATOM   1141  C   THR B 111      35.172 -21.901  24.266  1.00 40.06           C  \\nATOM   1142  O   THR B 111      35.469 -20.706  24.434  1.00 40.30           O  \\nATOM   1143  CB  THR B 111      32.890 -22.523  23.329  1.00 38.53           C  \\nATOM   1144  CG2 THR B 111      32.951 -21.280  22.479  1.00 35.10           C  \\nATOM   1145  OG1 THR B 111      33.291 -23.657  22.558  1.00 39.96           O  \\nATOM   1146  N   MET B 112      36.029 -22.808  23.820  1.00 41.25           N  \\nATOM   1147  CA  MET B 112      37.344 -22.431  23.326  1.00 42.62           C  \\nATOM   1148  C   MET B 112      37.212 -22.506  21.832  1.00 42.28           C  \\nATOM   1149  O   MET B 112      37.136 -23.604  21.284  1.00 43.03           O  \\nATOM   1150  CB  MET B 112      38.435 -23.382  23.807  1.00 44.22           C  \\nATOM   1151  CG  MET B 112      39.847 -23.070  23.243  1.00 46.75           C  \\nATOM   1152  SD  MET B 112      40.508 -21.448  23.752  1.00 50.61           S  \\nATOM   1153  CE  MET B 112      40.804 -21.788  25.496  1.00 48.15           C  \\nATOM   1154  N   PRO B 113      37.155 -21.339  21.162  1.00 41.76           N  \\nATOM   1155  CA  PRO B 113      37.009 -21.369  19.715  1.00 41.32           C  \\nATOM   1156  C   PRO B 113      38.218 -21.988  19.030  1.00 42.68           C  \\nATOM   1157  O   PRO B 113      39.334 -21.943  19.569  1.00 43.48           O  \\nATOM   1158  CB  PRO B 113      36.901 -19.885  19.335  1.00 41.17           C  \\nATOM   1159  CG  PRO B 113      36.672 -19.142  20.626  1.00 40.84           C  \\nATOM   1160  CD  PRO B 113      37.333 -19.970  21.675  1.00 41.27           C  \\nATOM   1161  N   GLY B 114      37.986 -22.575  17.856  1.00 43.18           N  \\nATOM   1162  CA  GLY B 114      39.064 -22.914  16.926  1.00 44.86           C  \\nATOM   1163  C   GLY B 114      39.368 -21.703  16.063  1.00 45.30           C  \\nATOM   1164  O   GLY B 114      39.004 -20.578  16.415  1.00 44.89           O  \\nATOM   1165  N   THR B 115      40.033 -21.908  14.933  1.00 46.88           N  \\nATOM   1166  CA  THR B 115      40.316 -20.794  14.038  1.00 48.07           C  \\nATOM   1167  C   THR B 115      39.952 -21.091  12.592  1.00 48.81           C  \\nATOM   1168  O   THR B 115      40.132 -22.214  12.101  1.00 49.42           O  \\nATOM   1169  CB  THR B 115      41.789 -20.334  14.104  1.00 49.59           C  \\nATOM   1170  CG2 THR B 115      42.089 -19.608  15.401  1.00 48.98           C  \\nATOM   1171  OG1 THR B 115      42.643 -21.473  14.005  1.00 53.03           O  \\nATOM   1172  N   PHE B 116      39.415 -20.065  11.935  1.00 49.01           N  \\nATOM   1173  CA  PHE B 116      39.143 -20.080  10.510  1.00 50.17           C  \\nATOM   1174  C   PHE B 116      40.303 -19.347   9.855  1.00 52.42           C  \\nATOM   1175  O   PHE B 116      40.616 -18.212  10.225  1.00 52.60           O  \\nATOM   1176  CB  PHE B 116      37.845 -19.318  10.190  1.00 48.36           C  \\nATOM   1177  CG  PHE B 116      36.566 -20.106  10.406  1.00 45.87           C  \\nATOM   1178  CD1 PHE B 116      36.430 -21.408   9.940  1.00 45.39           C  \\nATOM   1179  CD2 PHE B 116      35.476 -19.509  11.021  1.00 42.76           C  \\nATOM   1180  CE1 PHE B 116      35.246 -22.113  10.119  1.00 43.37           C  \\nATOM   1181  CE2 PHE B 116      34.279 -20.205  11.198  1.00 42.97           C  \\nATOM   1182  CZ  PHE B 116      34.164 -21.508  10.746  1.00 42.65           C  \\nATOM   1183  N   GLN B 117      40.948 -20.000   8.898  1.00 55.21           N  \\nATOM   1184  CA  GLN B 117      42.060 -19.399   8.174  1.00 58.26           C  \\nATOM   1185  C   GLN B 117      41.551 -18.877   6.833  1.00 58.75           C  \\nATOM   1186  O   GLN B 117      40.974 -19.628   6.040  1.00 58.56           O  \\nATOM   1187  CB  GLN B 117      43.194 -20.414   7.954  1.00 60.55           C  \\nATOM   1188  CG  GLN B 117      43.693 -21.131   9.225  1.00 63.22           C  \\nATOM   1189  CD  GLN B 117      44.736 -22.221   8.935  1.00 68.49           C  \\nATOM   1190  NE2 GLN B 117      44.719 -23.292   9.737  1.00 68.12           N  \\nATOM   1191  OE1 GLN B 117      45.545 -22.098   8.002  1.00 71.79           O  \\nATOM   1192  N   THR B 118      41.746 -17.581   6.600  1.00 59.73           N  \\nATOM   1193  CA  THR B 118      41.463 -16.976   5.297  1.00 60.92           C  \\nATOM   1194  C   THR B 118      42.775 -16.562   4.641  1.00 63.47           C  \\nATOM   1195  O   THR B 118      43.857 -16.808   5.184  1.00 64.62           O  \\nATOM   1196  CB  THR B 118      40.513 -15.743   5.396  1.00 59.58           C  \\nATOM   1197  CG2 THR B 118      39.289 -16.044   6.263  1.00 57.89           C  \\nATOM   1198  OG1 THR B 118      41.212 -14.628   5.958  1.00 60.33           O  \\nATOM   1199  N   THR B 119      42.671 -15.953   3.462  1.00 65.05           N  \\nATOM   1200  CA  THR B 119      43.809 -15.307   2.809  1.00 67.52           C  \\nATOM   1201  C   THR B 119      44.194 -14.041   3.587  1.00 67.85           C  \\nATOM   1202  O   THR B 119      45.377 -13.767   3.781  1.00 69.20           O  \\nATOM   1203  CB  THR B 119      43.499 -14.973   1.333  1.00 68.29           C  \\nATOM   1204  CG2 THR B 119      43.491 -16.257   0.487  1.00 69.11           C  \\nATOM   1205  OG1 THR B 119      42.214 -14.339   1.240  1.00 67.26           O  \\nATOM   1206  N   THR B 120      43.180 -13.296   4.040  1.00 66.88           N  \\nATOM   1207  CA  THR B 120      43.349 -12.139   4.934  1.00 67.11           C  \\nATOM   1208  C   THR B 120      44.091 -12.528   6.225  1.00 67.06           C  \\nATOM   1209  O   THR B 120      45.273 -12.234   6.372  1.00 68.96           O  \\nATOM   1210  CB  THR B 120      41.974 -11.501   5.321  1.00 65.68           C  \\nATOM   1211  CG2 THR B 120      42.162 -10.114   5.943  1.00 66.67           C  \\nATOM   1212  OG1 THR B 120      41.126 -11.407   4.169  1.00 65.78           O  \\nATOM   1213  N   GLY B 121      43.393 -13.185   7.152  1.00 65.22           N  \\nATOM   1214  CA  GLY B 121      43.941 -13.499   8.480  1.00 64.40           C  \\nATOM   1215  C   GLY B 121      43.142 -14.571   9.201  1.00 62.36           C  \\nATOM   1216  O   GLY B 121      42.702 -15.548   8.589  1.00 62.20           O  \\nATOM   1217  N   GLU B 122      42.945 -14.398  10.503  1.00 60.82           N  \\nATOM   1218  CA  GLU B 122      42.264 -15.427  11.290  1.00 58.97           C  \\nATOM   1219  C   GLU B 122      41.011 -14.921  11.989  1.00 56.26           C  \\nATOM   1220  O   GLU B 122      40.993 -13.817  12.519  1.00 56.16           O  \\nATOM   1221  CB  GLU B 122      43.218 -16.088  12.294  1.00 60.27           C  \\nATOM   1222  CG  GLU B 122      44.535 -16.548  11.678  1.00 64.26           C  \\nATOM   1223  CD  GLU B 122      44.941 -17.951  12.097  1.00 68.61           C  \\nATOM   1224  OE1 GLU B 122      45.130 -18.193  13.314  1.00 69.69           O  \\nATOM   1225  OE2 GLU B 122      45.089 -18.812  11.192  1.00 70.60           O1-\\nATOM   1226  N   ILE B 123      39.970 -15.749  11.966  1.00 53.66           N  \\nATOM   1227  CA  ILE B 123      38.692 -15.484  12.619  1.00 51.19           C  \\nATOM   1228  C   ILE B 123      38.423 -16.671  13.559  1.00 50.11           C  \\nATOM   1229  O   ILE B 123      38.618 -17.822  13.162  1.00 50.54           O  \\nATOM   1230  CB  ILE B 123      37.536 -15.387  11.564  1.00 50.31           C  \\nATOM   1231  CG1 ILE B 123      37.778 -14.236  10.574  1.00 51.85           C  \\nATOM   1232  CG2 ILE B 123      36.190 -15.237  12.219  1.00 48.42           C  \\nATOM   1233  CD1 ILE B 123      36.775 -14.170   9.415  1.00 52.71           C  \\nATOM   1234  N   GLY B 124      37.984 -16.402  14.790  1.00 48.09           N  \\nATOM   1235  CA  GLY B 124      37.588 -17.466  15.707  1.00 46.52           C  \\nATOM   1236  C   GLY B 124      36.451 -18.309  15.141  1.00 45.02           C  \\nATOM   1237  O   GLY B 124      35.630 -17.811  14.370  1.00 44.55           O  \\nATOM   1238  N   ALA B 125      36.413 -19.591  15.505  1.00 43.84           N  \\nATOM   1239  CA  ALA B 125      35.363 -20.491  15.033  1.00 42.16           C  \\nATOM   1240  C   ALA B 125      34.661 -21.140  16.219  1.00 41.27           C  \\nATOM   1241  O   ALA B 125      35.294 -21.787  17.033  1.00 41.62           O  \\nATOM   1242  CB  ALA B 125      35.942 -21.541  14.106  1.00 42.43           C  \\nATOM   1243  N   ILE B 126      33.351 -20.949  16.311  1.00 40.25           N  \\nATOM   1244  CA  ILE B 126      32.571 -21.429  17.438  1.00 39.62           C  \\nATOM   1245  C   ILE B 126      31.667 -22.564  16.996  1.00 39.31           C  \\nATOM   1246  O   ILE B 126      30.704 -22.359  16.239  1.00 38.35           O  \\nATOM   1247  CB  ILE B 126      31.734 -20.289  18.069  1.00 39.54           C  \\nATOM   1248  CG1 ILE B 126      32.644 -19.326  18.831  1.00 40.54           C  \\nATOM   1249  CG2 ILE B 126      30.688 -20.846  19.021  1.00 40.29           C  \\nATOM   1250  CD1 ILE B 126      31.906 -18.251  19.566  1.00 41.65           C  \\nATOM   1251  N   ALA B 127      31.978 -23.762  17.489  1.00 39.29           N  \\nATOM   1252  CA  ALA B 127      31.273 -24.965  17.092  1.00 39.18           C  \\nATOM   1253  C   ALA B 127      30.119 -25.235  18.040  1.00 38.95           C  \\nATOM   1254  O   ALA B 127      30.127 -26.220  18.771  1.00 39.96           O  \\nATOM   1255  CB  ALA B 127      32.227 -26.137  17.047  1.00 39.92           C  \\nATOM   1256  N   LEU B 128      29.142 -24.332  18.029  1.00 38.20           N  \\nATOM   1257  CA  LEU B 128      27.927 -24.442  18.820  1.00 37.62           C  \\nATOM   1258  C   LEU B 128      26.773 -24.184  17.896  1.00 37.26           C  \\nATOM   1259  O   LEU B 128      26.855 -23.322  17.020  1.00 36.68           O  \\nATOM   1260  CB  LEU B 128      27.889 -23.396  19.933  1.00 37.66           C  \\nATOM   1261  CG  LEU B 128      28.971 -23.388  21.024  1.00 38.51           C  \\nATOM   1262  CD1 LEU B 128      28.710 -22.276  22.049  1.00 38.46           C  \\nATOM   1263  CD2 LEU B 128      29.017 -24.712  21.700  1.00 38.76           C  \\nATOM   1264  N   ASP B 129      25.680 -24.902  18.126  1.00 37.58           N  \\nATOM   1265  CA  ASP B 129      24.575 -24.935  17.208  1.00 37.38           C  \\nATOM   1266  C   ASP B 129      23.258 -24.533  17.891  1.00 37.07           C  \\nATOM   1267  O   ASP B 129      22.579 -25.357  18.503  1.00 37.67           O  \\nATOM   1268  CB  ASP B 129      24.488 -26.350  16.604  1.00 38.63           C  \\nATOM   1269  CG  ASP B 129      23.390 -26.494  15.558  1.00 39.38           C  \\nATOM   1270  OD1 ASP B 129      22.705 -25.513  15.223  1.00 40.82           O  \\nATOM   1271  OD2 ASP B 129      23.211 -27.605  15.049  1.00 44.91           O1-\\nATOM   1272  N   PHE B 130      22.887 -23.265  17.754  1.00 35.93           N  \\nATOM   1273  CA  PHE B 130      21.661 -22.767  18.358  1.00 35.32           C  \\nATOM   1274  C   PHE B 130      20.545 -22.691  17.325  1.00 35.38           C  \\nATOM   1275  O   PHE B 130      20.827 -22.742  16.135  1.00 35.54           O  \\nATOM   1276  CB  PHE B 130      21.925 -21.432  19.051  1.00 34.43           C  \\nATOM   1277  CG  PHE B 130      22.949 -21.527  20.137  1.00 33.03           C  \\nATOM   1278  CD1 PHE B 130      22.701 -22.292  21.281  1.00 33.83           C  \\nATOM   1279  CD2 PHE B 130      24.172 -20.882  20.017  1.00 32.51           C  \\nATOM   1280  CE1 PHE B 130      23.662 -22.399  22.300  1.00 32.92           C  \\nATOM   1281  CE2 PHE B 130      25.147 -20.986  21.026  1.00 32.92           C  \\nATOM   1282  CZ  PHE B 130      24.894 -21.746  22.168  1.00 31.05           C  \\nATOM   1283  N   LYS B 131      19.292 -22.605  17.774  1.00 35.47           N  \\nATOM   1284  CA  LYS B 131      18.140 -22.660  16.867  1.00 35.82           C  \\nATOM   1285  C   LYS B 131      18.097 -21.442  15.927  1.00 34.93           C  \\nATOM   1286  O   LYS B 131      18.692 -20.407  16.215  1.00 33.74           O  \\nATOM   1287  CB  LYS B 131      16.832 -22.707  17.663  1.00 36.76           C  \\nATOM   1288  CG  LYS B 131      16.556 -24.002  18.442  1.00 39.49           C  \\nATOM   1289  CD  LYS B 131      16.239 -25.190  17.531  1.00 42.60           C  \\nATOM   1290  CE  LYS B 131      15.903 -26.438  18.351  1.00 44.19           C  \\nATOM   1291  NZ  LYS B 131      14.473 -26.463  18.861  1.00 45.69           N1+\\nATOM   1292  N   PRO B 132      17.383 -21.557  14.788  1.00 34.80           N  \\nATOM   1293  CA  PRO B 132      17.139 -20.318  14.067  1.00 33.78           C  \\nATOM   1294  C   PRO B 132      16.529 -19.259  14.989  1.00 33.81           C  \\nATOM   1295  O   PRO B 132      15.771 -19.585  15.917  1.00 34.56           O  \\nATOM   1296  CB  PRO B 132      16.146 -20.738  13.006  1.00 34.63           C  \\nATOM   1297  CG  PRO B 132      16.493 -22.190  12.740  1.00 34.90           C  \\nATOM   1298  CD  PRO B 132      16.923 -22.747  14.045  1.00 35.15           C  \\nATOM   1299  N   GLY B 133      16.870 -17.999  14.746  1.00 32.78           N  \\nATOM   1300  CA  GLY B 133      16.361 -16.896  15.551  1.00 32.41           C  \\nATOM   1301  C   GLY B 133      17.384 -16.377  16.544  1.00 31.71           C  \\nATOM   1302  O   GLY B 133      17.177 -15.343  17.203  1.00 31.45           O  \\nATOM   1303  N   THR B 134      18.507 -17.069  16.655  1.00 31.31           N  \\nATOM   1304  CA  THR B 134      19.460 -16.690  17.691  1.00 31.10           C  \\nATOM   1305  C   THR B 134      20.718 -16.049  17.130  1.00 30.78           C  \\nATOM   1306  O   THR B 134      21.658 -15.745  17.874  1.00 31.30           O  \\nATOM   1307  CB  THR B 134      19.628 -17.821  18.822  1.00 31.55           C  \\nATOM   1308  CG2 THR B 134      19.035 -19.105  18.412  1.00 29.90           C  \\nATOM   1309  OG1 THR B 134      20.999 -18.053  19.152  1.00 34.25           O  \\nATOM   1310  N   SER B 135      20.701 -15.762  15.823  1.00 30.79           N  \\nATOM   1311  CA  SER B 135      21.780 -14.985  15.187  1.00 30.08           C  \\nATOM   1312  C   SER B 135      21.833 -13.550  15.750  1.00 29.99           C  \\nATOM   1313  O   SER B 135      20.805 -12.911  15.996  1.00 29.02           O  \\nATOM   1314  CB  SER B 135      21.633 -14.966  13.662  1.00 29.96           C  \\nATOM   1315  OG  SER B 135      21.850 -16.260  13.098  1.00 31.90           O  \\nATOM   1316  N   GLY B 136      23.043 -13.059  15.976  1.00 29.23           N  \\nATOM   1317  CA  GLY B 136      23.194 -11.786  16.610  1.00 29.56           C  \\nATOM   1318  C   GLY B 136      23.532 -11.916  18.083  1.00 30.44           C  \\nATOM   1319  O   GLY B 136      23.908 -10.925  18.708  1.00 31.63           O  \\nATOM   1320  N   SER B 137      23.387 -13.105  18.660  1.00 30.00           N  \\nATOM   1321  CA  SER B 137      23.808 -13.295  20.046  1.00 30.98           C  \\nATOM   1322  C   SER B 137      25.277 -12.920  20.149  1.00 31.17           C  \\nATOM   1323  O   SER B 137      26.051 -13.270  19.266  1.00 31.36           O  \\nATOM   1324  CB  SER B 137      23.619 -14.744  20.501  1.00 30.77           C  \\nATOM   1325  OG  SER B 137      22.238 -15.068  20.601  1.00 31.00           O  \\nATOM   1326  N   PRO B 138      25.657 -12.194  21.213  1.00 31.87           N  \\nATOM   1327  CA  PRO B 138      27.015 -11.710  21.352  1.00 32.38           C  \\nATOM   1328  C   PRO B 138      27.961 -12.756  21.898  1.00 33.22           C  \\nATOM   1329  O   PRO B 138      27.562 -13.668  22.655  1.00 33.12           O  \\nATOM   1330  CB  PRO B 138      26.868 -10.596  22.386  1.00 32.88           C  \\nATOM   1331  CG  PRO B 138      25.794 -11.074  23.254  1.00 33.12           C  \\nATOM   1332  CD  PRO B 138      24.804 -11.706  22.310  1.00 32.35           C  \\nATOM   1333  N   ILE B 139      29.223 -12.591  21.530  1.00 34.19           N  \\nATOM   1334  CA  ILE B 139      30.284 -13.451  21.981  1.00 35.30           C  \\nATOM   1335  C   ILE B 139      31.157 -12.529  22.807  1.00 37.16           C  \\nATOM   1336  O   ILE B 139      31.603 -11.487  22.305  1.00 38.07           O  \\nATOM   1337  CB  ILE B 139      31.050 -14.022  20.765  1.00 35.03           C  \\nATOM   1338  CG1 ILE B 139      30.105 -14.871  19.905  1.00 33.98           C  \\nATOM   1339  CG2 ILE B 139      32.284 -14.815  21.216  1.00 34.95           C  \\nATOM   1340  CD1 ILE B 139      30.586 -15.112  18.487  1.00 34.82           C  \\nATOM   1341  N   ILE B 140      31.368 -12.866  24.078  1.00 38.22           N  \\nATOM   1342  CA  ILE B 140      32.091 -11.953  24.973  1.00 39.78           C  \\nATOM   1343  C   ILE B 140      33.389 -12.528  25.502  1.00 41.01           C  \\nATOM   1344  O   ILE B 140      33.565 -13.736  25.531  1.00 41.06           O  \\nATOM   1345  CB  ILE B 140      31.232 -11.490  26.164  1.00 40.21           C  \\nATOM   1346  CG1 ILE B 140      30.944 -12.662  27.097  1.00 40.79           C  \\nATOM   1347  CG2 ILE B 140      29.924 -10.837  25.681  1.00 39.43           C  \\nATOM   1348  CD1 ILE B 140      30.634 -12.224  28.501  1.00 43.76           C  \\nATOM   1349  N   ASN B 141      34.298 -11.648  25.912  1.00 42.98           N  \\nATOM   1350  CA  ASN B 141      35.535 -12.064  26.555  1.00 44.70           C  \\nATOM   1351  C   ASN B 141      35.418 -11.961  28.072  1.00 46.56           C  \\nATOM   1352  O   ASN B 141      34.361 -11.570  28.596  1.00 46.22           O  \\nATOM   1353  CB  ASN B 141      36.743 -11.273  26.038  1.00 45.37           C  \\nATOM   1354  CG  ASN B 141      36.676  -9.780  26.361  1.00 46.28           C  \\nATOM   1355  ND2 ASN B 141      37.499  -9.005  25.669  1.00 47.12           N  \\nATOM   1356  OD1 ASN B 141      35.911  -9.332  27.213  1.00 46.59           O  \\nATOM   1357  N   ARG B 142      36.509 -12.308  28.755  1.00 48.34           N  \\nATOM   1358  CA  ARG B 142      36.571 -12.342  30.212  1.00 50.63           C  \\nATOM   1359  C   ARG B 142      36.207 -10.986  30.837  1.00 52.08           C  \\nATOM   1360  O   ARG B 142      35.651 -10.937  31.941  1.00 52.97           O  \\nATOM   1361  CB  ARG B 142      37.978 -12.764  30.647  1.00 52.03           C  \\nATOM   1362  CG  ARG B 142      38.026 -13.673  31.838  1.00 53.19           C  \\nATOM   1363  CD  ARG B 142      38.269 -15.137  31.474  1.00 53.50           C  \\nATOM   1364  NE  ARG B 142      37.875 -15.970  32.612  1.00 55.38           N  \\nATOM   1365  CZ  ARG B 142      37.833 -17.297  32.626  1.00 55.43           C  \\nATOM   1366  NH1 ARG B 142      37.428 -17.921  33.717  1.00 57.13           N1+\\nATOM   1367  NH2 ARG B 142      38.188 -18.001  31.565  1.00 55.42           N  \\nATOM   1368  N   GLU B 143      36.518  -9.892  30.135  1.00 52.55           N  \\nATOM   1369  CA  GLU B 143      36.220  -8.547  30.634  1.00 54.13           C  \\nATOM   1370  C   GLU B 143      34.762  -8.152  30.431  1.00 52.89           C  \\nATOM   1371  O   GLU B 143      34.375  -7.047  30.782  1.00 54.25           O  \\nATOM   1372  CB  GLU B 143      37.126  -7.495  29.990  1.00 55.14           C  \\nATOM   1373  CG  GLU B 143      38.591  -7.562  30.417  1.00 60.11           C  \\nATOM   1374  CD  GLU B 143      39.406  -8.541  29.570  1.00 63.88           C  \\nATOM   1375  OE1 GLU B 143      40.130  -8.075  28.655  1.00 65.84           O  \\nATOM   1376  OE2 GLU B 143      39.312  -9.770  29.810  1.00 64.83           O1-\\nATOM   1377  N   GLY B 144      33.957  -9.045  29.861  1.00 50.93           N  \\nATOM   1378  CA  GLY B 144      32.546  -8.769  29.628  1.00 49.36           C  \\nATOM   1379  C   GLY B 144      32.329  -7.902  28.401  1.00 48.41           C  \\nATOM   1380  O   GLY B 144      31.281  -7.263  28.258  1.00 48.14           O  \\nATOM   1381  N   LYS B 145      33.322  -7.887  27.514  1.00 47.43           N  \\nATOM   1382  CA  LYS B 145      33.281  -7.063  26.312  1.00 46.56           C  \\nATOM   1383  C   LYS B 145      32.981  -7.969  25.134  1.00 44.52           C  \\nATOM   1384  O   LYS B 145      33.491  -9.102  25.069  1.00 43.76           O  \\nATOM   1385  CB  LYS B 145      34.629  -6.367  26.089  1.00 48.05           C  \\nATOM   1386  CG  LYS B 145      35.130  -5.494  27.242  1.00 51.11           C  \\nATOM   1387  CD  LYS B 145      34.917  -4.013  26.963  1.00 57.15           C  \\nATOM   1388  CE  LYS B 145      35.891  -3.481  25.878  1.00 59.57           C  \\nATOM   1389  NZ  LYS B 145      35.262  -2.464  24.964  1.00 59.94           N1+\\nATOM   1390  N   VAL B 146      32.161  -7.469  24.209  1.00 42.58           N  \\nATOM   1391  CA  VAL B 146      31.750  -8.223  23.023  1.00 40.21           C  \\nATOM   1392  C   VAL B 146      32.877  -8.250  21.979  1.00 39.77           C  \\nATOM   1393  O   VAL B 146      33.315  -7.211  21.500  1.00 40.09           O  \\nATOM   1394  CB  VAL B 146      30.451  -7.626  22.402  1.00 39.87           C  \\nATOM   1395  CG1 VAL B 146      30.003  -8.413  21.170  1.00 37.60           C  \\nATOM   1396  CG2 VAL B 146      29.328  -7.583  23.440  1.00 39.68           C  \\nATOM   1397  N   VAL B 147      33.341  -9.448  21.626  1.00 38.33           N  \\nATOM   1398  CA  VAL B 147      34.382  -9.595  20.609  1.00 36.83           C  \\nATOM   1399  C   VAL B 147      33.804  -9.912  19.223  1.00 35.82           C  \\nATOM   1400  O   VAL B 147      34.539  -9.953  18.236  1.00 35.55           O  \\nATOM   1401  CB  VAL B 147      35.389 -10.694  20.994  1.00 37.47           C  \\nATOM   1402  CG1 VAL B 147      36.256 -10.251  22.178  1.00 37.10           C  \\nATOM   1403  CG2 VAL B 147      34.663 -11.994  21.306  1.00 35.73           C  \\nATOM   1404  N   GLY B 148      32.493 -10.154  19.159  1.00 34.22           N  \\nATOM   1405  CA  GLY B 148      31.832 -10.475  17.901  1.00 33.17           C  \\nATOM   1406  C   GLY B 148      30.427 -11.027  18.091  1.00 32.36           C  \\nATOM   1407  O   GLY B 148      29.967 -11.193  19.205  1.00 32.61           O  \\nATOM   1408  N   LEU B 149      29.733 -11.289  16.994  1.00 31.85           N  \\nATOM   1409  CA  LEU B 149      28.368 -11.785  17.055  1.00 30.78           C  \\nATOM   1410  C   LEU B 149      28.330 -13.162  16.408  1.00 30.81           C  \\nATOM   1411  O   LEU B 149      29.172 -13.467  15.545  1.00 30.59           O  \\nATOM   1412  CB  LEU B 149      27.386 -10.831  16.351  1.00 30.23           C  \\nATOM   1413  CG  LEU B 149      27.281  -9.364  16.804  1.00 31.59           C  \\nATOM   1414  CD1 LEU B 149      26.240  -8.578  15.983  1.00 28.76           C  \\nATOM   1415  CD2 LEU B 149      26.953  -9.254  18.297  1.00 29.27           C  \\nATOM   1416  N   TYR B 150      27.345 -13.969  16.822  1.00 30.19           N  \\nATOM   1417  CA  TYR B 150      27.214 -15.361  16.410  1.00 30.01           C  \\nATOM   1418  C   TYR B 150      26.139 -15.516  15.343  1.00 30.42           C  \\nATOM   1419  O   TYR B 150      25.080 -14.895  15.434  1.00 31.59           O  \\nATOM   1420  CB  TYR B 150      26.882 -16.219  17.642  1.00 29.82           C  \\nATOM   1421  CG  TYR B 150      26.344 -17.589  17.340  1.00 27.73           C  \\nATOM   1422  CD1 TYR B 150      27.167 -18.695  17.392  1.00 25.66           C  \\nATOM   1423  CD2 TYR B 150      24.991 -17.776  16.991  1.00 27.13           C  \\nATOM   1424  CE1 TYR B 150      26.693 -19.971  17.096  1.00 24.61           C  \\nATOM   1425  CE2 TYR B 150      24.496 -19.033  16.701  1.00 25.02           C  \\nATOM   1426  CZ  TYR B 150      25.353 -20.134  16.771  1.00 26.95           C  \\nATOM   1427  OH  TYR B 150      24.875 -21.395  16.485  1.00 26.61           O  \\nATOM   1428  N   GLY B 151      26.388 -16.352  14.337  1.00 30.21           N  \\nATOM   1429  CA  GLY B 151      25.321 -16.701  13.419  1.00 30.02           C  \\nATOM   1430  C   GLY B 151      25.642 -16.719  11.939  1.00 30.10           C  \\nATOM   1431  O   GLY B 151      24.745 -16.956  11.125  1.00 30.49           O  \\nATOM   1432  N   ASN B 152      26.891 -16.444  11.579  1.00 29.52           N  \\nATOM   1433  CA  ASN B 152      27.312 -16.584  10.193  1.00 29.97           C  \\nATOM   1434  C   ASN B 152      28.469 -17.559  10.145  1.00 30.52           C  \\nATOM   1435  O   ASN B 152      29.526 -17.304  10.746  1.00 30.56           O  \\nATOM   1436  CB  ASN B 152      27.677 -15.221   9.567  1.00 29.90           C  \\nATOM   1437  CG  ASN B 152      28.039 -15.323   8.083  1.00 31.22           C  \\nATOM   1438  ND2 ASN B 152      28.837 -14.391   7.612  1.00 33.77           N  \\nATOM   1439  OD1 ASN B 152      27.602 -16.226   7.378  1.00 34.67           O  \\nATOM   1440  N   GLY B 153      28.271 -18.683   9.462  1.00 30.71           N  \\nATOM   1441  CA  GLY B 153      29.289 -19.729   9.470  1.00 32.36           C  \\nATOM   1442  C   GLY B 153      29.237 -20.787   8.388  1.00 33.67           C  \\nATOM   1443  O   GLY B 153      28.806 -20.517   7.260  1.00 34.06           O  \\nATOM   1444  N   VAL B 154      29.720 -21.985   8.719  1.00 34.50           N  \\nATOM   1445  CA  VAL B 154      29.803 -23.091   7.754  1.00 35.69           C  \\nATOM   1446  C   VAL B 154      29.335 -24.387   8.374  1.00 36.29           C  \\nATOM   1447  O   VAL B 154      29.219 -24.489   9.585  1.00 36.24           O  \\nATOM   1448  CB  VAL B 154      31.256 -23.324   7.248  1.00 36.83           C  \\nATOM   1449  CG1 VAL B 154      31.782 -22.101   6.528  1.00 35.82           C  \\nATOM   1450  CG2 VAL B 154      32.191 -23.725   8.408  1.00 36.83           C  \\nATOM   1451  N   VAL B 155      29.083 -25.382   7.537  1.00 37.74           N  \\nATOM   1452  CA  VAL B 155      28.795 -26.727   8.005  1.00 38.49           C  \\nATOM   1453  C   VAL B 155      30.005 -27.595   7.689  1.00 40.16           C  \\nATOM   1454  O   VAL B 155      30.549 -27.506   6.584  1.00 41.19           O  \\nATOM   1455  CB  VAL B 155      27.511 -27.275   7.352  1.00 39.19           C  \\nATOM   1456  CG1 VAL B 155      27.251 -28.732   7.765  1.00 40.59           C  \\nATOM   1457  CG2 VAL B 155      26.308 -26.380   7.720  1.00 36.78           C  \\nATOM   1458  N   THR B 156      30.453 -28.406   8.654  1.00 40.71           N  \\nATOM   1459  CA  THR B 156      31.609 -29.285   8.423  1.00 42.22           C  \\nATOM   1460  C   THR B 156      31.236 -30.505   7.611  1.00 43.97           C  \\nATOM   1461  O   THR B 156      30.053 -30.758   7.357  1.00 43.43           O  \\nATOM   1462  CB  THR B 156      32.265 -29.798   9.724  1.00 42.44           C  \\nATOM   1463  CG2 THR B 156      32.830 -28.642  10.526  1.00 41.68           C  \\nATOM   1464  OG1 THR B 156      31.302 -30.528  10.501  1.00 42.55           O  \\nATOM   1465  N   LYS B 157      32.264 -31.263   7.223  1.00 45.80           N  \\nATOM   1466  CA  LYS B 157      32.083 -32.529   6.516  1.00 48.06           C  \\nATOM   1467  C   LYS B 157      31.419 -33.582   7.417  1.00 48.02           C  \\nATOM   1468  O   LYS B 157      30.958 -34.613   6.939  1.00 49.41           O  \\nATOM   1469  CB  LYS B 157      33.412 -33.030   5.930  1.00 50.03           C  \\nATOM   1470  CG  LYS B 157      34.504 -33.338   6.970  1.00 52.79           C  \\nATOM   1471  CD  LYS B 157      35.549 -34.307   6.417  1.00 59.19           C  \\nATOM   1472  CE  LYS B 157      36.385 -34.899   7.545  1.00 62.36           C  \\nATOM   1473  NZ  LYS B 157      36.882 -36.270   7.197  1.00 66.63           N1+\\nATOM   1474  N   ASN B 158      31.349 -33.299   8.715  1.00 46.65           N  \\nATOM   1475  CA  ASN B 158      30.645 -34.168   9.655  1.00 46.69           C  \\nATOM   1476  C   ASN B 158      29.247 -33.679  10.021  1.00 44.69           C  \\nATOM   1477  O   ASN B 158      28.598 -34.263  10.890  1.00 44.51           O  \\nATOM   1478  CB  ASN B 158      31.464 -34.367  10.926  1.00 47.22           C  \\nATOM   1479  CG  ASN B 158      32.774 -35.062  10.669  1.00 51.18           C  \\nATOM   1480  ND2 ASN B 158      32.809 -35.959   9.678  1.00 51.47           N  \\nATOM   1481  OD1 ASN B 158      33.759 -34.787  11.354  1.00 56.81           O  \\nATOM   1482  N   GLY B 159      28.795 -32.606   9.367  1.00 42.69           N  \\nATOM   1483  CA  GLY B 159      27.437 -32.082   9.561  1.00 40.85           C  \\nATOM   1484  C   GLY B 159      27.324 -31.082  10.689  1.00 38.94           C  \\nATOM   1485  O   GLY B 159      26.222 -30.641  11.053  1.00 38.26           O  \\nATOM   1486  N   GLY B 160      28.466 -30.710  11.244  1.00 37.72           N  \\nATOM   1487  CA  GLY B 160      28.479 -29.819  12.390  1.00 36.63           C  \\nATOM   1488  C   GLY B 160      28.415 -28.360  11.980  1.00 35.18           C  \\nATOM   1489  O   GLY B 160      28.976 -27.961  10.955  1.00 35.66           O  \\nATOM   1490  N   TYR B 161      27.725 -27.562  12.781  1.00 33.37           N  \\nATOM   1491  CA  TYR B 161      27.603 -26.161  12.483  1.00 31.29           C  \\nATOM   1492  C   TYR B 161      28.643 -25.373  13.254  1.00 31.23           C  \\nATOM   1493  O   TYR B 161      28.805 -25.581  14.457  1.00 31.74           O  \\nATOM   1494  CB  TYR B 161      26.223 -25.637  12.830  1.00 29.21           C  \\nATOM   1495  CG  TYR B 161      26.132 -24.176  12.520  1.00 23.95           C  \\nATOM   1496  CD1 TYR B 161      25.985 -23.743  11.223  1.00 22.67           C  \\nATOM   1497  CD2 TYR B 161      26.230 -23.228  13.519  1.00 21.71           C  \\nATOM   1498  CE1 TYR B 161      25.902 -22.390  10.913  1.00 18.17           C  \\nATOM   1499  CE2 TYR B 161      26.167 -21.881  13.233  1.00 20.40           C  \\nATOM   1500  CZ  TYR B 161      25.997 -21.472  11.912  1.00 18.55           C  \\nATOM   1501  OH  TYR B 161      25.933 -20.126  11.611  1.00 19.77           O  \\nATOM   1502  N   VAL B 162      29.293 -24.438  12.562  1.00 30.46           N  \\nATOM   1503  CA  VAL B 162      30.437 -23.699  13.103  1.00 30.09           C  \\nATOM   1504  C   VAL B 162      30.395 -22.225  12.652  1.00 30.18           C  \\nATOM   1505  O   VAL B 162      30.623 -21.921  11.472  1.00 29.64           O  \\nATOM   1506  CB  VAL B 162      31.759 -24.296  12.620  1.00 31.28           C  \\nATOM   1507  CG1 VAL B 162      32.954 -23.635  13.361  1.00 30.52           C  \\nATOM   1508  CG2 VAL B 162      31.767 -25.805  12.789  1.00 30.10           C  \\nATOM   1509  N   SER B 163      30.114 -21.333  13.607  1.00 29.67           N  \\nATOM   1510  CA  SER B 163      29.978 -19.909  13.366  1.00 29.54           C  \\nATOM   1511  C   SER B 163      31.298 -19.179  13.463  1.00 30.60           C  \\nATOM   1512  O   SER B 163      32.145 -19.509  14.326  1.00 31.19           O  \\nATOM   1513  CB  SER B 163      29.063 -19.309  14.414  1.00 28.24           C  \\nATOM   1514  OG  SER B 163      29.009 -17.904  14.257  1.00 28.94           O  \\nATOM   1515  N   GLY B 164      31.468 -18.164  12.613  1.00 30.28           N  \\nATOM   1516  CA  GLY B 164      32.618 -17.292  12.756  1.00 31.15           C  \\nATOM   1517  C   GLY B 164      32.296 -16.363  13.907  1.00 31.40           C  \\nATOM   1518  O   GLY B 164      31.132 -16.267  14.334  1.00 29.84           O  \\nATOM   1519  N   ILE B 165      33.323 -15.700  14.423  1.00 32.62           N  \\nATOM   1520  CA  ILE B 165      33.115 -14.584  15.335  1.00 33.99           C  \\nATOM   1521  C   ILE B 165      32.990 -13.346  14.425  1.00 35.31           C  \\nATOM   1522  O   ILE B 165      33.997 -12.853  13.889  1.00 36.20           O  \\nATOM   1523  CB  ILE B 165      34.283 -14.446  16.390  1.00 34.85           C  \\nATOM   1524  CG1 ILE B 165      34.492 -15.761  17.150  1.00 34.19           C  \\nATOM   1525  CG2 ILE B 165      34.027 -13.277  17.386  1.00 34.76           C  \\nATOM   1526  CD1 ILE B 165      35.563 -15.731  18.214  1.00 33.78           C  \\nATOM   1527  N   ALA B 166      31.761 -12.886  14.194  1.00 35.34           N  \\nATOM   1528  CA  ALA B 166      31.563 -11.731  13.318  1.00 37.14           C  \\nATOM   1529  C   ALA B 166      31.911 -10.421  14.039  1.00 38.74           C  \\nATOM   1530  O   ALA B 166      31.257 -10.037  15.004  1.00 38.53           O  \\nATOM   1531  CB  ALA B 166      30.143 -11.702  12.741  1.00 35.70           C  \\nATOM   1532  N   GLN B 167      32.973  -9.770  13.581  1.00 41.43           N  \\nATOM   1533  CA  GLN B 167      33.446  -8.519  14.183  1.00 44.47           C  \\nATOM   1534  C   GLN B 167      34.026  -7.589  13.104  1.00 47.11           C  \\nATOM   1535  O   GLN B 167      34.456  -8.043  12.045  1.00 46.95           O  \\nATOM   1536  CB  GLN B 167      34.484  -8.808  15.290  1.00 44.19           C  \\nATOM   1537  CG  GLN B 167      35.004  -7.601  16.100  1.00 44.05           C  \\nATOM   1538  CD  GLN B 167      33.909  -6.792  16.790  1.00 42.41           C  \\nATOM   1539  NE2 GLN B 167      33.973  -6.703  18.110  1.00 40.63           N  \\nATOM   1540  OE1 GLN B 167      33.040  -6.225  16.133  1.00 43.42           O  \\nATOM   1541  N   THR B 168      34.015  -6.290  13.364  1.00 50.54           N  \\nATOM   1542  CA  THR B 168      34.654  -5.359  12.444  1.00 54.66           C  \\nATOM   1543  C   THR B 168      35.857  -4.704  13.134  1.00 58.31           C  \\nATOM   1544  O   THR B 168      36.723  -5.414  13.684  1.00 59.41           O  \\nATOM   1545  CB  THR B 168      33.629  -4.361  11.810  1.00 54.13           C  \\nATOM   1546  CG2 THR B 168      33.078  -3.401  12.818  1.00 53.30           C  \\nATOM   1547  OG1 THR B 168      34.256  -3.632  10.746  1.00 56.94           O  \\nATOM   1548  N   ASN B 169      35.919  -3.372  13.074  1.00 61.89           N  \\nATOM   1549  CA  ASN B 169      36.844  -2.529  13.854  1.00 65.58           C  \\nATOM   1550  C   ASN B 169      36.139  -1.192  14.133  1.00 67.40           C  \\nATOM   1551  O   ASN B 169      35.816  -0.463  13.194  1.00 68.27           O  \\nATOM   1552  CB  ASN B 169      38.168  -2.317  13.105  1.00 66.90           C  \\nATOM   1553  CG  ASN B 169      38.987  -3.594  13.003  1.00 67.37           C  \\nATOM   1554  ND2 ASN B 169      38.679  -4.424  12.011  1.00 66.84           N  \\nATOM   1555  OD1 ASN B 169      39.864  -3.844  13.828  1.00 69.60           O  \\nATOM   1556  N   ALA B 170      35.899  -0.889  15.413  1.00 69.15           N  \\nATOM   1557  CA  ALA B 170      34.911   0.134  15.837  1.00 70.77           C  \\nATOM   1558  C   ALA B 170      35.224   1.605  15.513  1.00 73.32           C  \\nATOM   1559  O   ALA B 170      36.387   2.020  15.549  1.00 74.98           O  \\nATOM   1560  CB  ALA B 170      34.616  -0.011  17.325  1.00 70.84           C  \\nATOM   1561  N   GLU B 171      34.163   2.374  15.226  1.00 74.27           N  \\nATOM   1562  CA  GLU B 171      34.214   3.825  14.927  1.00 76.70           C  \\nATOM   1563  C   GLU B 171      34.565   4.100  13.458  1.00 77.19           C  \\nATOM   1564  O   GLU B 171      35.734   4.246  13.088  1.00 78.35           O  \\nATOM   1565  CB  GLU B 171      35.138   4.591  15.908  1.00 78.66           C  \\nATOM   1566  CG  GLU B 171      35.404   6.082  15.578  1.00 82.20           C  \\nATOM   1567  CD  GLU B 171      34.361   7.046  16.155  1.00 84.79           C  \\nATOM   1568  OE1 GLU B 171      33.447   6.594  16.887  1.00 85.33           O  \\nATOM   1569  OE2 GLU B 171      34.463   8.263  15.878  1.00 85.84           O1-\\nATOM   1570  N   UNL A   1      22.101 -21.059   7.340  0.00  0.00           N  \\nATOM   1571  C6  UNL A   1      21.436 -21.685   8.411  0.00  0.00           C  \\nATOM   1572  N1  UNL A   1      20.771 -20.835   9.308  0.00  0.00           N  \\nATOM   1573  C7  UNL A   1      20.428 -19.520   9.030  0.00  0.00           C  \\nATOM   1574  C8  UNL A   1      21.159 -18.927   7.896  0.00  0.00           C  \\nATOM   1575  C9  UNL A   1      21.766 -19.792   6.861  0.00  0.00           C  \\nATOM   1576  S   UNL A   1      21.354 -23.383   8.589  0.00  0.00           S  \\nATOM   1577  O   UNL A   1      21.955 -19.389   5.717  0.00  0.00           O  \\nATOM   1578  O1  UNL A   1      19.625 -18.860   9.690  0.00  0.00           O  \\nATOM   1579  C16 UNL A   1      21.385 -17.603   7.996  0.00  0.00           C  \\nATOM   1580  C17 UNL A   1      22.145 -16.770   7.065  0.00  0.00           C  \\nATOM   1581  C19 UNL A   1      23.516 -16.635   7.284  0.00  0.00           C  \\nATOM   1582  C18 UNL A   1      24.295 -15.847   6.434  0.00  0.00           C  \\nATOM   1583  C20 UNL A   1      23.699 -15.197   5.360  0.00  0.00           C  \\nATOM   1584  C22 UNL A   1      22.329 -15.342   5.117  0.00  0.00           C  \\nATOM   1585  C21 UNL A   1      21.548 -16.131   5.972  0.00  0.00           C  \\nATOM   1586  O2  UNL A   1      24.390 -14.337   4.470  0.00  0.00           O  \\nATOM   1587  C23 UNL A   1      25.166 -13.233   4.842  0.00  0.00           C  \\nATOM   1588  C24 UNL A   1      24.367 -11.979   4.645  0.00  0.00           C  \\nATOM   1589  O3  UNL A   1      26.299 -13.242   5.303  0.00  0.00           O  \\nATOM   1590  C3  UNL A   1      23.344 -21.617   6.881  0.00  0.00           C  \\nATOM   1591  C5  UNL A   1      24.504 -21.387   7.649  0.00  0.00           C  \\nATOM   1592  C4  UNL A   1      25.741 -21.890   7.260  0.00  0.00           C  \\nATOM   1593  C   UNL A   1      25.840 -22.628   6.088  0.00  0.00           C  \\nATOM   1594  C2  UNL A   1      24.707 -22.841   5.300  0.00  0.00           C  \\nATOM   1595  C1  UNL A   1      23.465 -22.323   5.682  0.00  0.00           C  \\nATOM   1596  C10 UNL A   1      21.010 -21.069  10.700  0.00  0.00           C  \\nATOM   1597  C12 UNL A   1      20.031 -21.615  11.525  0.00  0.00           C  \\nATOM   1598  C11 UNL A   1      20.326 -21.838  12.872  0.00  0.00           C  \\nATOM   1599  C13 UNL A   1      21.578 -21.495  13.390  0.00  0.00           C  \\nATOM   1600  C15 UNL A   1      22.547 -20.924  12.570  0.00  0.00           C  \\nATOM   1601  C14 UNL A   1      22.264 -20.709  11.226  0.00  0.00           C  \\nCONECT    1    2\\nCONECT    2    3    5\\nCONECT    3    4    4    9\\nCONECT    5    6\\nCONECT    6    7    7    8\\nCONECT    9   10\\nCONECT   10   11   13\\nCONECT   11   12   12   17\\nCONECT   13   14\\nCONECT   14   15   16\\nCONECT   17   18\\nCONECT   18   19   21\\nCONECT   19   20   20   24\\nCONECT   21   22   23\\nCONECT   24   25\\nCONECT   25   26   28\\nCONECT   26   27   27   31\\nCONECT   28   29   30\\nCONECT   31   32\\nCONECT   32   33   35\\nCONECT   33   34   34   40\\nCONECT   35   36\\nCONECT   36   37\\nCONECT   37   38   38   39\\nCONECT   40   41\\nCONECT   41   42   44\\nCONECT   42   43   43   49\\nCONECT   44   45\\nCONECT   45   46\\nCONECT   46   47\\nCONECT   47   48\\nCONECT   49   50\\nCONECT   50   51   53\\nCONECT   51   52   52   54\\nCONECT   54   55\\nCONECT   55   56   58\\nCONECT   56   57   57   59\\nCONECT   59   60\\nCONECT   60   61   63\\nCONECT   61   62   62   67\\nCONECT   63   64\\nCONECT   64   65   65   66\\nCONECT   67   68\\nCONECT   68   69   71\\nCONECT   69   70   70   74\\nCONECT   71   72   73\\nCONECT   74   75\\nCONECT   75   76   78\\nCONECT   76   77   77   81\\nCONECT   78   79   80\\nCONECT   81   82\\nCONECT   82   83   85\\nCONECT   83   84   84   95\\nCONECT   85   86\\nCONECT   86   87   87   88\\nCONECT   87   91\\nCONECT   88   89   89   90\\nCONECT   89   91   92\\nCONECT   90   93   93\\nCONECT   92   94   94\\nCONECT   93   94\\nCONECT   95   96\\nCONECT   96   97   99\\nCONECT   97   98   98  104\\nCONECT   99  100\\nCONECT  100  101\\nCONECT  101  102  102  103\\nCONECT  104  105\\nCONECT  105  106  108\\nCONECT  106  107  107  113\\nCONECT  108  109\\nCONECT  109  110\\nCONECT  110  111  111  112\\nCONECT  113  114\\nCONECT  114  115  117\\nCONECT  115  116  116  122\\nCONECT  117  118\\nCONECT  118  119\\nCONECT  119  120  120  121\\nCONECT  122  123\\nCONECT  123  124  126\\nCONECT  124  125  125  127\\nCONECT  127  128\\nCONECT  128  129  131\\nCONECT  129  130  130  136\\nCONECT  131  132\\nCONECT  132  133\\nCONECT  133  134  134  135\\nCONECT  136  137\\nCONECT  137  138  140\\nCONECT  138  139  139  145\\nCONECT  140  141\\nCONECT  141  142\\nCONECT  142  143  144  144\\nCONECT  145  146\\nCONECT  146  147  149\\nCONECT  147  148  148  152\\nCONECT  149  150  151\\nCONECT  152  153\\nCONECT  153  154\\nCONECT  154  155  155  156\\nCONECT  156  157\\nCONECT  157  158  160\\nCONECT  158  159  159  163\\nCONECT  160  161  162\\nCONECT  163  164\\nCONECT  164  165  167\\nCONECT  165  166  166  169\\nCONECT  167  168\\nCONECT  169  170\\nCONECT  170  171  173\\nCONECT  171  172  172  179\\nCONECT  173  174\\nCONECT  174  175  175  176\\nCONECT  175  178\\nCONECT  176  177  177\\nCONECT  177  178\\nCONECT  179  180\\nCONECT  180  181  183\\nCONECT  181  182  182  187\\nCONECT  183  184\\nCONECT  184  185  186  186\\nCONECT  187  188\\nCONECT  188  189  191\\nCONECT  189  190  190  195\\nCONECT  191  192\\nCONECT  192  193  194\\nCONECT  195  196\\nCONECT  196  197  199\\nCONECT  197  198  198  203\\nCONECT  199  200\\nCONECT  200  201\\nCONECT  201  202\\nCONECT  203  204\\nCONECT  204  205  207\\nCONECT  205  206  206  211\\nCONECT  207  208  209\\nCONECT  208  210\\nCONECT  211  212\\nCONECT  212  213  215\\nCONECT  213  214  214  218\\nCONECT  215  216  217\\nCONECT  218  219\\nCONECT  219  220  222\\nCONECT  220  221  221  225\\nCONECT  222  223  224\\nCONECT  225  226\\nCONECT  226  227  229\\nCONECT  227  228  228  233\\nCONECT  229  230\\nCONECT  230  231  231  232\\nCONECT  233  234\\nCONECT  234  235  237\\nCONECT  235  236  236  241\\nCONECT  237  238\\nCONECT  238  239  239  240\\nCONECT  241  242\\nCONECT  242  243  245\\nCONECT  243  244  244  249\\nCONECT  245  246\\nCONECT  246  247  247  248\\nCONECT  249  250\\nCONECT  250  251\\nCONECT  251  252  252  253\\nCONECT  253  254\\nCONECT  254  255  257\\nCONECT  255  256  256  260\\nCONECT  257  258  259\\nCONECT  260  261\\nCONECT  261  262  264\\nCONECT  262  263  263  268\\nCONECT  264  265\\nCONECT  265  266\\nCONECT  266  267\\nCONECT  268  269\\nCONECT  269  270  272\\nCONECT  270  271  271  279\\nCONECT  272  273\\nCONECT  273  274\\nCONECT  274  275\\nCONECT  275  276\\nCONECT  276  277  278  278\\nCONECT  279  280\\nCONECT  280  281  283\\nCONECT  281  282  282  287\\nCONECT  283  284  285\\nCONECT  284  286\\nCONECT  287  288\\nCONECT  288  289  291\\nCONECT  289  290  290  296\\nCONECT  291  292\\nCONECT  292  293\\nCONECT  293  294\\nCONECT  294  295\\nCONECT  296  297\\nCONECT  297  298  300\\nCONECT  298  299  299\\nCONECT  300  301\\nCONECT  301  302  302  303\\nCONECT  304  305\\nCONECT  305  306\\nCONECT  306  307  307  308\\nCONECT  308  309\\nCONECT  309  310\\nCONECT  310  311  311  312\\nCONECT  312  313\\nCONECT  313  314  316\\nCONECT  314  315  315  318\\nCONECT  316  317\\nCONECT  318  319\\nCONECT  319  320\\nCONECT  320  321  321  322\\nCONECT  322  323\\nCONECT  323  324  326\\nCONECT  324  325  325  329\\nCONECT  326  327  328\\nCONECT  329  330\\nCONECT  330  331  333\\nCONECT  331  332  332  337\\nCONECT  333  334\\nCONECT  334  335  336\\nCONECT  337  338\\nCONECT  338  339  341\\nCONECT  339  340  340  351\\nCONECT  341  342\\nCONECT  342  343  343  344\\nCONECT  343  347\\nCONECT  344  345  345  346\\nCONECT  345  347  348\\nCONECT  346  349  349\\nCONECT  348  350  350\\nCONECT  349  350\\nCONECT  351  352\\nCONECT  352  353  355\\nCONECT  353  354  354  359\\nCONECT  355  356\\nCONECT  356  357  357  358\\nCONECT  359  360\\nCONECT  360  361  363\\nCONECT  361  362  362  366\\nCONECT  363  364  365\\nCONECT  366  367  372\\nCONECT  367  368  370\\nCONECT  368  369  369  373\\nCONECT  370  371\\nCONECT  371  372\\nCONECT  373  374\\nCONECT  374  375  377\\nCONECT  375  376  376  379\\nCONECT  377  378\\nCONECT  379  380  385\\nCONECT  380  381  383\\nCONECT  381  382  382\\nCONECT  383  384\\nCONECT  384  385\\nCONECT  386  387\\nCONECT  387  388  390\\nCONECT  388  389  389  391\\nCONECT  391  392\\nCONECT  392  393  395\\nCONECT  393  394  394  400\\nCONECT  395  396\\nCONECT  396  397\\nCONECT  397  398  398  399\\nCONECT  400  401\\nCONECT  401  402  404\\nCONECT  402  403  403  408\\nCONECT  404  405\\nCONECT  405  406  407\\nCONECT  408  409\\nCONECT  409  410  412\\nCONECT  410  411  411  417\\nCONECT  412  413\\nCONECT  413  414\\nCONECT  414  415  415  416\\nCONECT  417  418\\nCONECT  418  419  421\\nCONECT  419  420  420  426\\nCONECT  421  422\\nCONECT  422  423\\nCONECT  423  424  424  425\\nCONECT  426  427\\nCONECT  427  428\\nCONECT  428  429  429  430\\nCONECT  430  431\\nCONECT  431  432  434\\nCONECT  432  433  433  437\\nCONECT  434  435  436\\nCONECT  437  438\\nCONECT  438  439  441\\nCONECT  439  440  440  449\\nCONECT  441  442\\nCONECT  442  443  443  444\\nCONECT  443  445\\nCONECT  444  446  446\\nCONECT  445  447  447\\nCONECT  446  447\\nCONECT  447  448\\nCONECT  449  450\\nCONECT  450  451  453\\nCONECT  451  452  452  460\\nCONECT  453  454\\nCONECT  454  455\\nCONECT  455  456\\nCONECT  456  457\\nCONECT  457  458  459  459\\nCONECT  460  461\\nCONECT  461  462  464\\nCONECT  462  463  463  468\\nCONECT  464  465  466\\nCONECT  465  467\\nCONECT  468  469\\nCONECT  469  470  472\\nCONECT  470  471  471  477\\nCONECT  472  473\\nCONECT  473  474\\nCONECT  474  475\\nCONECT  475  476\\nCONECT  477  478\\nCONECT  478  479  481\\nCONECT  479  480  480  486\\nCONECT  481  482\\nCONECT  482  483\\nCONECT  483  484  485  485\\nCONECT  486  487\\nCONECT  487  488  490\\nCONECT  488  489  489  495\\nCONECT  490  491\\nCONECT  491  492\\nCONECT  492  493  494  494\\nCONECT  495  496\\nCONECT  496  497\\nCONECT  497  498  498  499\\nCONECT  499  500\\nCONECT  500  501  503\\nCONECT  501  502  502  507\\nCONECT  503  504  505\\nCONECT  504  506\\nCONECT  507  508\\nCONECT  508  509  511\\nCONECT  509  510  510  518\\nCONECT  511  512\\nCONECT  512  513  513  514\\nCONECT  513  515\\nCONECT  514  516  516\\nCONECT  515  517  517\\nCONECT  516  517\\nCONECT  518  519\\nCONECT  519  520\\nCONECT  520  521  521  522\\nCONECT  522  523\\nCONECT  523  524  526\\nCONECT  524  525  525  531\\nCONECT  526  527\\nCONECT  527  528\\nCONECT  528  529\\nCONECT  529  530\\nCONECT  531  532\\nCONECT  532  533  535\\nCONECT  533  534  534  538\\nCONECT  535  536  537\\nCONECT  538  539\\nCONECT  539  540  542\\nCONECT  540  541  541  547\\nCONECT  542  543\\nCONECT  543  544\\nCONECT  544  545  546  546\\nCONECT  547  548\\nCONECT  548  549  551\\nCONECT  549  550  550  554\\nCONECT  551  552  553\\nCONECT  554  555\\nCONECT  555  556\\nCONECT  556  557  557  558\\nCONECT  558  559\\nCONECT  559  560  562\\nCONECT  560  561  561  565\\nCONECT  562  563  564\\nCONECT  565  566\\nCONECT  566  567\\nCONECT  567  568  568  569\\nCONECT  569  570\\nCONECT  570  571  573\\nCONECT  571  572  572  576\\nCONECT  573  574  575\\nCONECT  576  577\\nCONECT  577  578  580\\nCONECT  578  579  579  585\\nCONECT  580  581\\nCONECT  581  582\\nCONECT  582  583  584  584\\nCONECT  585  586\\nCONECT  586  587  589\\nCONECT  587  588  588  594\\nCONECT  589  590\\nCONECT  590  591\\nCONECT  591  592\\nCONECT  592  593\\nCONECT  594  595\\nCONECT  595  596  598\\nCONECT  596  597  597  603\\nCONECT  598  599\\nCONECT  599  600\\nCONECT  600  601  601  602\\nCONECT  603  604\\nCONECT  604  605\\nCONECT  605  606  606  607\\nCONECT  607  608\\nCONECT  608  609  611\\nCONECT  609  610  610  614\\nCONECT  611  612  613\\nCONECT  614  615\\nCONECT  615  616  618\\nCONECT  616  617  617  625\\nCONECT  618  619\\nCONECT  619  620  620  621\\nCONECT  620  622\\nCONECT  621  623  623\\nCONECT  622  624  624\\nCONECT  623  624\\nCONECT  625  626\\nCONECT  626  627  629\\nCONECT  627  628  628  635\\nCONECT  629  630\\nCONECT  630  631  631  632\\nCONECT  631  634\\nCONECT  632  633  633\\nCONECT  633  634\\nCONECT  635  636\\nCONECT  636  637  639\\nCONECT  637  638  638  642\\nCONECT  639  640  641\\nCONECT  642  643\\nCONECT  643  644  646\\nCONECT  644  645  645  650\\nCONECT  646  647\\nCONECT  647  648\\nCONECT  648  649\\nCONECT  650  651\\nCONECT  651  652  654\\nCONECT  652  653  653  664\\nCONECT  654  655\\nCONECT  655  656  656  657\\nCONECT  656  660\\nCONECT  657  658  658  659\\nCONECT  658  660  661\\nCONECT  659  662  662\\nCONECT  661  663  663\\nCONECT  662  663\\nCONECT  664  665\\nCONECT  665  666  668\\nCONECT  666  667  667  674\\nCONECT  668  669\\nCONECT  669  670  670  671\\nCONECT  670  673\\nCONECT  671  672  672\\nCONECT  672  673\\nCONECT  674  675\\nCONECT  675  676  678\\nCONECT  676  677  677  681\\nCONECT  678  679  680\\nCONECT  681  682\\nCONECT  682  683  685\\nCONECT  683  684  684  688\\nCONECT  685  686  687\\nCONECT  688  689\\nCONECT  689  690  692\\nCONECT  690  691  691  699\\nCONECT  692  693\\nCONECT  693  694\\nCONECT  694  695\\nCONECT  695  696\\nCONECT  696  697  698  698\\nCONECT  699  700\\nCONECT  700  701\\nCONECT  701  702  702  703\\nCONECT  703  704\\nCONECT  704  705  707\\nCONECT  705  706  706  708\\nCONECT  708  709\\nCONECT  709  710  712\\nCONECT  710  711  711  715\\nCONECT  712  713  714\\nCONECT  715  716\\nCONECT  716  717  719\\nCONECT  717  718  718  723\\nCONECT  719  720\\nCONECT  720  721  722\\nCONECT  723  724\\nCONECT  724  725  727\\nCONECT  725  726  726  730\\nCONECT  727  728  729\\nCONECT  730  731\\nCONECT  731  732  734\\nCONECT  732  733  733  740\\nCONECT  734  735\\nCONECT  735  736  736  737\\nCONECT  736  739\\nCONECT  737  738  738\\nCONECT  738  739\\nCONECT  740  741\\nCONECT  741  742  744\\nCONECT  742  743  743  748\\nCONECT  744  745\\nCONECT  745  746  747  747\\nCONECT  748  749\\nCONECT  749  750\\nCONECT  750  751  751  752\\nCONECT  752  753\\nCONECT  753  754  756\\nCONECT  754  755  755  761\\nCONECT  756  757\\nCONECT  757  758\\nCONECT  758  759\\nCONECT  759  760\\nCONECT  761  762\\nCONECT  762  763  765\\nCONECT  763  764  764  772\\nCONECT  765  766\\nCONECT  766  767\\nCONECT  767  768\\nCONECT  768  769\\nCONECT  769  770  771  771\\nCONECT  772  773\\nCONECT  773  774  776\\nCONECT  774  775  775  780\\nCONECT  776  777\\nCONECT  777  778  779\\nCONECT  780  781\\nCONECT  781  782  784\\nCONECT  782  783  783  789\\nCONECT  784  785\\nCONECT  785  786\\nCONECT  786  787  787  788\\nCONECT  789  790  795\\nCONECT  790  791  793\\nCONECT  791  792  792  796\\nCONECT  793  794\\nCONECT  794  795\\nCONECT  796  797\\nCONECT  797  798  800\\nCONECT  798  799  799  804\\nCONECT  800  801\\nCONECT  801  802  803  803\\nCONECT  804  805\\nCONECT  805  806  808\\nCONECT  806  807  807  818\\nCONECT  808  809\\nCONECT  809  810  810  811\\nCONECT  810  814\\nCONECT  811  812  812  813\\nCONECT  812  814  815\\nCONECT  813  816  816\\nCONECT  815  817  817\\nCONECT  816  817\\nCONECT  818  819\\nCONECT  819  820  822\\nCONECT  820  821  821  823\\nCONECT  823  824\\nCONECT  824  825  827\\nCONECT  825  826  826  829\\nCONECT  827  828\\nCONECT  829  830\\nCONECT  830  831  833\\nCONECT  831  832  832  836\\nCONECT  833  834  835\\nCONECT  836  837\\nCONECT  837  838  840\\nCONECT  838  839  839  845\\nCONECT  840  841\\nCONECT  841  842\\nCONECT  842  843\\nCONECT  843  844\\nCONECT  845  846\\nCONECT  846  847  849\\nCONECT  847  848  848  854\\nCONECT  849  850\\nCONECT  850  851\\nCONECT  851  852\\nCONECT  852  853\\nCONECT  854  855\\nCONECT  855  856  858\\nCONECT  856  857  857  862\\nCONECT  858  859\\nCONECT  859  860  860  861\\nCONECT  862  863\\nCONECT  863  864  866\\nCONECT  864  865  865  870\\nCONECT  866  867\\nCONECT  867  868  869\\nCONECT  870  871\\nCONECT  871  872  874\\nCONECT  872  873  873  878\\nCONECT  874  875  876\\nCONECT  875  877\\nCONECT  878  879\\nCONECT  879  880  882\\nCONECT  880  881  881  884\\nCONECT  882  883\\nCONECT  884  885\\nCONECT  885  886  888\\nCONECT  886  887  887  896\\nCONECT  888  889\\nCONECT  889  890  890  891\\nCONECT  890  892\\nCONECT  891  893  893\\nCONECT  892  894  894\\nCONECT  893  894\\nCONECT  894  895\\nCONECT  896  897\\nCONECT  897  898\\nCONECT  898  899  899  900\\nCONECT  900  901\\nCONECT  901  902\\nCONECT  902  903  903  904\\nCONECT  904  905\\nCONECT  905  906\\nCONECT  906  907  907  908\\nCONECT  908  909\\nCONECT  909  910  912\\nCONECT  910  911  911  922\\nCONECT  912  913\\nCONECT  913  914  914  915\\nCONECT  914  918\\nCONECT  915  916  916  917\\nCONECT  916  918  919\\nCONECT  917  920  920\\nCONECT  919  921  921\\nCONECT  920  921\\nCONECT  922  923\\nCONECT  923  924  926\\nCONECT  924  925  925  933\\nCONECT  926  927\\nCONECT  927  928\\nCONECT  928  929\\nCONECT  929  930\\nCONECT  930  931  932  932\\nCONECT  933  934\\nCONECT  934  935  937\\nCONECT  935  936  936  941\\nCONECT  937  938\\nCONECT  938  939  940\\nCONECT  941  942\\nCONECT  942  943  945\\nCONECT  943  944  944  947\\nCONECT  945  946\\nCONECT  947  948\\nCONECT  948  949  951\\nCONECT  949  950  950  952\\nCONECT  952  953\\nCONECT  953  954  956\\nCONECT  954  955  955  961\\nCONECT  956  957\\nCONECT  957  958\\nCONECT  958  959  960  960\\nCONECT  961  962\\nCONECT  962  963  965\\nCONECT  963  964  964  975\\nCONECT  965  966\\nCONECT  966  967  967  968\\nCONECT  967  971\\nCONECT  968  969  969  970\\nCONECT  969  971  972\\nCONECT  970  973  973\\nCONECT  972  974  974\\nCONECT  973  974\\nCONECT  975  976\\nCONECT  976  977  979\\nCONECT  977  978  978  984\\nCONECT  979  980\\nCONECT  980  981\\nCONECT  981  982  983  983\\nCONECT  984  985\\nCONECT  985  986  988\\nCONECT  986  987  987  993\\nCONECT  988  989\\nCONECT  989  990\\nCONECT  990  991\\nCONECT  991  992\\nCONECT  993  994\\nCONECT  994  995\\nCONECT  995  996  996  997\\nCONECT  997  998\\nCONECT  998  999 1001\\nCONECT  999 1000 1000 1006\\nCONECT 1001 1002\\nCONECT 1002 1003\\nCONECT 1003 1004 1004 1005\\nCONECT 1006 1007\\nCONECT 1007 1008 1010\\nCONECT 1008 1009 1009 1015\\nCONECT 1010 1011\\nCONECT 1011 1012\\nCONECT 1012 1013 1013 1014\\nCONECT 1015 1016\\nCONECT 1016 1017 1019\\nCONECT 1017 1018 1018 1022\\nCONECT 1019 1020 1021\\nCONECT 1022 1023\\nCONECT 1023 1024 1026\\nCONECT 1024 1025 1025 1031\\nCONECT 1026 1027\\nCONECT 1027 1028\\nCONECT 1028 1029 1030 1030\\nCONECT 1031 1032\\nCONECT 1032 1033 1035\\nCONECT 1033 1034 1034 1038\\nCONECT 1035 1036 1037\\nCONECT 1038 1039\\nCONECT 1039 1040 1042\\nCONECT 1040 1041 1041 1046\\nCONECT 1042 1043 1044\\nCONECT 1043 1045\\nCONECT 1046 1047\\nCONECT 1047 1048 1050\\nCONECT 1048 1049 1049 1051\\nCONECT 1051 1052\\nCONECT 1052 1053 1055\\nCONECT 1053 1054 1054 1058\\nCONECT 1055 1056 1057\\nCONECT 1058 1059\\nCONECT 1059 1060 1062\\nCONECT 1060 1061 1061 1067\\nCONECT 1062 1063\\nCONECT 1063 1064\\nCONECT 1064 1065 1065 1066\\nCONECT 1067 1068 1073\\nCONECT 1068 1069 1071\\nCONECT 1069 1070 1070 1074\\nCONECT 1071 1072\\nCONECT 1072 1073\\nCONECT 1074 1075\\nCONECT 1075 1076\\nCONECT 1076 1077 1077 1078\\nCONECT 1078 1079\\nCONECT 1079 1080 1082\\nCONECT 1080 1081 1081 1087\\nCONECT 1082 1083\\nCONECT 1083 1084\\nCONECT 1084 1085\\nCONECT 1085 1086\\nCONECT 1087 1088\\nCONECT 1088 1089 1091\\nCONECT 1089 1090 1090 1095\\nCONECT 1091 1092\\nCONECT 1092 1093 1094 1094\\nCONECT 1095 1096 1101\\nCONECT 1096 1097 1099\\nCONECT 1097 1098 1098 1102\\nCONECT 1099 1100\\nCONECT 1100 1101\\nCONECT 1102 1103\\nCONECT 1103 1104 1106\\nCONECT 1104 1105 1105 1111\\nCONECT 1106 1107\\nCONECT 1107 1108\\nCONECT 1108 1109\\nCONECT 1109 1110\\nCONECT 1111 1112\\nCONECT 1112 1113 1115\\nCONECT 1113 1114 1114 1119\\nCONECT 1115 1116\\nCONECT 1116 1117 1118 1118\\nCONECT 1119 1120\\nCONECT 1120 1121 1123\\nCONECT 1121 1122 1122 1130\\nCONECT 1123 1124\\nCONECT 1124 1125 1125 1126\\nCONECT 1125 1127\\nCONECT 1126 1128 1128\\nCONECT 1127 1129 1129\\nCONECT 1128 1129\\nCONECT 1130 1131\\nCONECT 1131 1132 1134\\nCONECT 1132 1133 1133 1139\\nCONECT 1134 1135\\nCONECT 1135 1136\\nCONECT 1136 1137 1138 1138\\nCONECT 1139 1140\\nCONECT 1140 1141 1143\\nCONECT 1141 1142 1142 1146\\nCONECT 1143 1144 1145\\nCONECT 1146 1147\\nCONECT 1147 1148 1150\\nCONECT 1148 1149 1149 1154\\nCONECT 1150 1151\\nCONECT 1151 1152\\nCONECT 1152 1153\\nCONECT 1154 1155 1160\\nCONECT 1155 1156 1158\\nCONECT 1156 1157 1157 1161\\nCONECT 1158 1159\\nCONECT 1159 1160\\nCONECT 1161 1162\\nCONECT 1162 1163\\nCONECT 1163 1164 1164 1165\\nCONECT 1165 1166\\nCONECT 1166 1167 1169\\nCONECT 1167 1168 1168 1172\\nCONECT 1169 1170 1171\\nCONECT 1172 1173\\nCONECT 1173 1174 1176\\nCONECT 1174 1175 1175 1183\\nCONECT 1176 1177\\nCONECT 1177 1178 1178 1179\\nCONECT 1178 1180\\nCONECT 1179 1181 1181\\nCONECT 1180 1182 1182\\nCONECT 1181 1182\\nCONECT 1183 1184\\nCONECT 1184 1185 1187\\nCONECT 1185 1186 1186 1192\\nCONECT 1187 1188\\nCONECT 1188 1189\\nCONECT 1189 1190 1191 1191\\nCONECT 1192 1193\\nCONECT 1193 1194 1196\\nCONECT 1194 1195 1195 1199\\nCONECT 1196 1197 1198\\nCONECT 1199 1200\\nCONECT 1200 1201 1203\\nCONECT 1201 1202 1202 1206\\nCONECT 1203 1204 1205\\nCONECT 1206 1207\\nCONECT 1207 1208 1210\\nCONECT 1208 1209 1209 1213\\nCONECT 1210 1211 1212\\nCONECT 1213 1214\\nCONECT 1214 1215\\nCONECT 1215 1216 1216 1217\\nCONECT 1217 1218\\nCONECT 1218 1219 1221\\nCONECT 1219 1220 1220 1226\\nCONECT 1221 1222\\nCONECT 1222 1223\\nCONECT 1223 1224 1224 1225\\nCONECT 1226 1227\\nCONECT 1227 1228 1230\\nCONECT 1228 1229 1229 1234\\nCONECT 1230 1231 1232\\nCONECT 1231 1233\\nCONECT 1234 1235\\nCONECT 1235 1236\\nCONECT 1236 1237 1237 1238\\nCONECT 1238 1239\\nCONECT 1239 1240 1242\\nCONECT 1240 1241 1241 1243\\nCONECT 1243 1244\\nCONECT 1244 1245 1247\\nCONECT 1245 1246 1246 1251\\nCONECT 1247 1248 1249\\nCONECT 1248 1250\\nCONECT 1251 1252\\nCONECT 1252 1253 1255\\nCONECT 1253 1254 1254 1256\\nCONECT 1256 1257\\nCONECT 1257 1258 1260\\nCONECT 1258 1259 1259 1264\\nCONECT 1260 1261\\nCONECT 1261 1262 1263\\nCONECT 1264 1265\\nCONECT 1265 1266 1268\\nCONECT 1266 1267 1267 1272\\nCONECT 1268 1269\\nCONECT 1269 1270 1270 1271\\nCONECT 1272 1273\\nCONECT 1273 1274 1276\\nCONECT 1274 1275 1275 1283\\nCONECT 1276 1277\\nCONECT 1277 1278 1278 1279\\nCONECT 1278 1280\\nCONECT 1279 1281 1281\\nCONECT 1280 1282 1282\\nCONECT 1281 1282\\nCONECT 1283 1284\\nCONECT 1284 1285 1287\\nCONECT 1285 1286 1286 1292\\nCONECT 1287 1288\\nCONECT 1288 1289\\nCONECT 1289 1290\\nCONECT 1290 1291\\nCONECT 1292 1293 1298\\nCONECT 1293 1294 1296\\nCONECT 1294 1295 1295 1299\\nCONECT 1296 1297\\nCONECT 1297 1298\\nCONECT 1299 1300\\nCONECT 1300 1301\\nCONECT 1301 1302 1302 1303\\nCONECT 1303 1304\\nCONECT 1304 1305 1307\\nCONECT 1305 1306 1306 1310\\nCONECT 1307 1308 1309\\nCONECT 1310 1311\\nCONECT 1311 1312 1314\\nCONECT 1312 1313 1313 1316\\nCONECT 1314 1315\\nCONECT 1316 1317\\nCONECT 1317 1318\\nCONECT 1318 1319 1319 1320\\nCONECT 1320 1321\\nCONECT 1321 1322 1324\\nCONECT 1322 1323 1323 1326\\nCONECT 1324 1325\\nCONECT 1326 1327 1332\\nCONECT 1327 1328 1330\\nCONECT 1328 1329 1329 1333\\nCONECT 1330 1331\\nCONECT 1331 1332\\nCONECT 1333 1334\\nCONECT 1334 1335 1337\\nCONECT 1335 1336 1336 1341\\nCONECT 1337 1338 1339\\nCONECT 1338 1340\\nCONECT 1341 1342\\nCONECT 1342 1343 1345\\nCONECT 1343 1344 1344 1349\\nCONECT 1345 1346 1347\\nCONECT 1346 1348\\nCONECT 1349 1350\\nCONECT 1350 1351 1353\\nCONECT 1351 1352 1352 1357\\nCONECT 1353 1354\\nCONECT 1354 1355 1356 1356\\nCONECT 1357 1358\\nCONECT 1358 1359 1361\\nCONECT 1359 1360 1360 1368\\nCONECT 1361 1362\\nCONECT 1362 1363\\nCONECT 1363 1364\\nCONECT 1364 1365\\nCONECT 1365 1366 1367 1367\\nCONECT 1368 1369\\nCONECT 1369 1370 1372\\nCONECT 1370 1371 1371 1377\\nCONECT 1372 1373\\nCONECT 1373 1374\\nCONECT 1374 1375 1375 1376\\nCONECT 1377 1378\\nCONECT 1378 1379\\nCONECT 1379 1380 1380 1381\\nCONECT 1381 1382\\nCONECT 1382 1383 1385\\nCONECT 1383 1384 1384 1390\\nCONECT 1385 1386\\nCONECT 1386 1387\\nCONECT 1387 1388\\nCONECT 1388 1389\\nCONECT 1390 1391\\nCONECT 1391 1392 1394\\nCONECT 1392 1393 1393 1397\\nCONECT 1394 1395 1396\\nCONECT 1397 1398\\nCONECT 1398 1399 1401\\nCONECT 1399 1400 1400 1404\\nCONECT 1401 1402 1403\\nCONECT 1404 1405\\nCONECT 1405 1406\\nCONECT 1406 1407 1407 1408\\nCONECT 1408 1409\\nCONECT 1409 1410 1412\\nCONECT 1410 1411 1411 1416\\nCONECT 1412 1413\\nCONECT 1413 1414 1415\\nCONECT 1416 1417\\nCONECT 1417 1418 1420\\nCONECT 1418 1419 1419 1428\\nCONECT 1420 1421\\nCONECT 1421 1422 1422 1423\\nCONECT 1422 1424\\nCONECT 1423 1425 1425\\nCONECT 1424 1426 1426\\nCONECT 1425 1426\\nCONECT 1426 1427\\nCONECT 1428 1429\\nCONECT 1429 1430\\nCONECT 1430 1431 1431 1432\\nCONECT 1432 1433\\nCONECT 1433 1434 1436\\nCONECT 1434 1435 1435 1440\\nCONECT 1436 1437\\nCONECT 1437 1438 1439 1439\\nCONECT 1440 1441\\nCONECT 1441 1442\\nCONECT 1442 1443 1443 1444\\nCONECT 1444 1445\\nCONECT 1445 1446 1448\\nCONECT 1446 1447 1447 1451\\nCONECT 1448 1449 1450\\nCONECT 1451 1452\\nCONECT 1452 1453 1455\\nCONECT 1453 1454 1454 1458\\nCONECT 1455 1456 1457\\nCONECT 1458 1459\\nCONECT 1459 1460 1462\\nCONECT 1460 1461 1461 1465\\nCONECT 1462 1463 1464\\nCONECT 1465 1466\\nCONECT 1466 1467 1469\\nCONECT 1467 1468 1468 1474\\nCONECT 1469 1470\\nCONECT 1470 1471\\nCONECT 1471 1472\\nCONECT 1472 1473\\nCONECT 1474 1475\\nCONECT 1475 1476 1478\\nCONECT 1476 1477 1477 1482\\nCONECT 1478 1479\\nCONECT 1479 1480 1481 1481\\nCONECT 1482 1483\\nCONECT 1483 1484\\nCONECT 1484 1485 1485 1486\\nCONECT 1486 1487\\nCONECT 1487 1488\\nCONECT 1488 1489 1489 1490\\nCONECT 1490 1491\\nCONECT 1491 1492 1494\\nCONECT 1492 1493 1493 1502\\nCONECT 1494 1495\\nCONECT 1495 1496 1496 1497\\nCONECT 1496 1498\\nCONECT 1497 1499 1499\\nCONECT 1498 1500 1500\\nCONECT 1499 1500\\nCONECT 1500 1501\\nCONECT 1502 1503\\nCONECT 1503 1504 1506\\nCONECT 1504 1505 1505 1509\\nCONECT 1506 1507 1508\\nCONECT 1509 1510\\nCONECT 1510 1511 1513\\nCONECT 1511 1512 1512 1515\\nCONECT 1513 1514\\nCONECT 1515 1516\\nCONECT 1516 1517\\nCONECT 1517 1518 1518 1519\\nCONECT 1519 1520\\nCONECT 1520 1521 1523\\nCONECT 1521 1522 1522 1527\\nCONECT 1523 1524 1525\\nCONECT 1524 1526\\nCONECT 1527 1528\\nCONECT 1528 1529 1531\\nCONECT 1529 1530 1530 1532\\nCONECT 1532 1533\\nCONECT 1533 1534 1536\\nCONECT 1534 1535 1535 1541\\nCONECT 1536 1537\\nCONECT 1537 1538\\nCONECT 1538 1539 1540 1540\\nCONECT 1541 1542\\nCONECT 1542 1543 1545\\nCONECT 1543 1544 1544 1548\\nCONECT 1545 1546 1547\\nCONECT 1548 1549\\nCONECT 1549 1550 1552\\nCONECT 1550 1551 1551 1556\\nCONECT 1552 1553\\nCONECT 1553 1554 1555 1555\\nCONECT 1556 1557\\nCONECT 1557 1558 1560\\nCONECT 1558 1559 1559 1561\\nCONECT 1561 1562\\nCONECT 1562 1563 1565\\nCONECT 1563 1564 1564\\nCONECT 1565 1566\\nCONECT 1566 1567\\nCONECT 1567 1568 1568 1569\\nCONECT 1570 1571 1575 1590\\nCONECT 1571 1572 1576\\nCONECT 1572 1573 1596\\nCONECT 1573 1574 1578\\nCONECT 1574 1575 1579\\nCONECT 1575 1577\\nCONECT 1579 1580\\nCONECT 1580 1581 1585\\nCONECT 1581 1582\\nCONECT 1582 1583\\nCONECT 1583 1584 1586\\nCONECT 1584 1585\\nCONECT 1586 1587\\nCONECT 1587 1588 1589\\nCONECT 1590 1591 1595\\nCONECT 1591 1592\\nCONECT 1592 1593\\nCONECT 1593 1594\\nCONECT 1594 1595\\nCONECT 1596 1597 1601\\nCONECT 1597 1598\\nCONECT 1598 1599\\nCONECT 1599 1600\\nCONECT 1600 1601\\nEND\\n\",\"pdb\");\n",
              "\tviewer_16822572947611911.setStyle({\"chain\": [\"A\", \"B\"]},{\"cartoon\": {\"color\": \"green\"}});\n",
              "\tviewer_16822572947611911.addStyle({\"chain\": \"B\", \"resi\": [51, 75, 135]},{\"stick\": {\"colorscheme\": \"skyblueCarbon\"}});\n",
              "\tviewer_16822572947611911.addSurface(1,{\"opacity\": 0.8},{\"resn\": \"UNL\"});\n",
              "\tviewer_16822572947611911.setStyle({\"resn\": \"UNL\"},{\"stick\": {}});\n",
              "\tviewer_16822572947611911.zoomTo();\n",
              "viewer_16822572947611911.render();\n",
              "});\n",
              "</script>"
            ]
          },
          "metadata": {}
        },
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "<py3Dmol.view at 0x7f34d3075130>"
            ]
          },
          "metadata": {},
          "execution_count": 12
        }
      ],
      "source": [
        "receptor = Chem.MolFromPDBFile('rec.pdb')\n",
        "DrawComplex(receptor,lig)"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "G0JFX_VsBSkP"
      },
      "source": [
        "ambertools: top and crd files"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 13,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "Ua61qMJ1BWPp",
        "outputId": "909ecd50-ebef-4bb2-cc8c-439f991f480d"
      },
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "\n",
            "Welcome to antechamber 22.0: molecular input file processor.\n",
            "\n",
            "Info: acdoctor mode is on: check and diagnose problems in the input file.\n",
            "Info: The atom type is set to gaff; the options available to the -at flag are\n",
            "      gaff, gaff2, amber, bcc, and sybyl.\n",
            "\n",
            "-- Check Format for mol2 File --\n",
            "   Status: pass\n",
            "-- Check Unusual Elements --\n",
            "   Status: pass\n",
            "-- Check Open Valences --\n",
            "   Status: pass\n",
            "-- Check Geometry --\n",
            "      for those bonded   \n",
            "      for those not bonded   \n",
            "   Status: pass\n",
            "-- Check Weird Bonds --\n",
            "   Status: pass\n",
            "-- Check Number of Units --\n",
            "   Status: pass\n",
            "acdoctor mode has completed checking the input file.\n",
            "\n",
            "Info: Total number of electrons: 230; net charge: 0\n",
            "\n",
            "Running: /usr/local/bin/sqm -O -i sqm.in -o sqm.out\n",
            "\n",
            "-I: Adding /usr/local/dat/leap/prep to search path.\n",
            "-I: Adding /usr/local/dat/leap/lib to search path.\n",
            "-I: Adding /usr/local/dat/leap/parm to search path.\n",
            "-I: Adding /usr/local/dat/leap/cmd to search path.\n",
            "-s: Ignoring all leaprc startup files.\n",
            "-f: Source tleapin.\n",
            "\n",
            "Welcome to LEaP!\n",
            "Sourcing: ./tleapin\n",
            "----- Source: /usr/local/dat/leap/cmd/leaprc.protein.ff14SB\n",
            "----- Source of /usr/local/dat/leap/cmd/leaprc.protein.ff14SB done\n",
            "Log file: ./leap.log\n",
            "Loading parameters: /usr/local/dat/leap/parm/parm10.dat\n",
            "Reading title:\n",
            "PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA\n",
            "Loading parameters: /usr/local/dat/leap/parm/frcmod.ff14SB\n",
            "Reading force field modification type file (frcmod)\n",
            "Reading title:\n",
            "ff14SB protein backbone and sidechain parameters\n",
            "Loading library: /usr/local/dat/leap/lib/amino12.lib\n",
            "Loading library: /usr/local/dat/leap/lib/aminoct12.lib\n",
            "Loading library: /usr/local/dat/leap/lib/aminont12.lib\n",
            "----- Source: /usr/local/dat/leap/cmd/leaprc.gaff\n",
            "----- Source of /usr/local/dat/leap/cmd/leaprc.gaff done\n",
            "Log file: ./leap.log\n",
            "Loading parameters: /usr/local/dat/leap/parm/gaff.dat\n",
            "Reading title:\n",
            "AMBER General Force Field for organic molecules (Version 1.81, May 2017)\n",
            "----- Source: /usr/local/dat/leap/cmd/leaprc.water.tip3p\n",
            "----- Source of /usr/local/dat/leap/cmd/leaprc.water.tip3p done\n",
            "Loading library: /usr/local/dat/leap/lib/atomic_ions.lib\n",
            "Loading library: /usr/local/dat/leap/lib/solvents.lib\n",
            "Loading parameters: /usr/local/dat/leap/parm/frcmod.tip3p\n",
            "Reading force field modification type file (frcmod)\n",
            "Reading title:\n",
            "This is the additional/replacement parameter set for TIP3P water\n",
            "Loading parameters: /usr/local/dat/leap/parm/frcmod.ions1lm_126_tip3p\n",
            "Reading force field modification type file (frcmod)\n",
            "Reading title:\n",
            "Li/Merz ion parameters of monovalent ions for TIP3P water model (12-6 normal usage set)\n",
            "Loading parameters: /usr/local/dat/leap/parm/frcmod.ionsjc_tip3p\n",
            "Reading force field modification type file (frcmod)\n",
            "Reading title:\n",
            "Monovalent ion parameters for Ewald and TIP3P water from Joung & Cheatham JPCB (2008)\n",
            "Loading parameters: /usr/local/dat/leap/parm/frcmod.ions234lm_126_tip3p\n",
            "Reading force field modification type file (frcmod)\n",
            "Reading title:\n",
            "Li/Merz ion parameters of divalent to tetravalent ions for TIP3P water model (12-6 normal usage set)\n",
            "Loading Prep file: ./dock.prepi\n",
            "Loading parameters: ./dock.frcmod\n",
            "Reading force field modification type file (frcmod)\n",
            "Reading title:\n",
            "Remark line goes here\n",
            "Loading PDB file: ./dock-out.pdb\n",
            "  total atoms in file: 32\n",
            "  Leap added 18 missing atoms according to residue templates:\n",
            "       18 H / lone pairs\n",
            "Loading PDB file: ./rec.pdb\n",
            "-- residue 62: duplicate [ CA] atoms (total 2)\n",
            "-- residue 62: duplicate [ CB] atoms (total 2)\n",
            "-- residue 62: duplicate [ CD] atoms (total 2)\n",
            "-- residue 62: duplicate [ CG] atoms (total 2)\n",
            "-- residue 62: duplicate [ OE1] atoms (total 2)\n",
            "-- residue 62: duplicate [ OE2] atoms (total 2)\n",
            "\n",
            "/usr/local/bin/teLeap: Warning!\n",
            "Atom names in each residue should be unique.\n",
            "     (Same-name atoms are handled by using the first\n",
            "      occurrence and by ignoring the rest.\n",
            "      Many instances of duplicate atom names usually come\n",
            "      from alternate conformations in the PDB file.)\n",
            "\n",
            "  Added missing heavy atom: .R<CASP 88>.A<OXT 13>\n",
            "  Added missing heavy atom: .R<CGLU 256>.A<OXT 16>\n",
            "  total atoms in file: 1575\n",
            "  Leap added 1544 missing atoms according to residue templates:\n",
            "       2 Heavy\n",
            "       1542 H / lone pairs\n",
            "Checking Unit.\n",
            "\n",
            "/usr/local/bin/teLeap: Warning!\n",
            "There is a bond of 7.650 angstroms between C and N atoms:\n",
            "-------  .R<PRO 52>.A<C 13> and .R<ALA 53>.A<N 1>\n",
            "\n",
            "/usr/local/bin/teLeap: Warning!\n",
            "The unperturbed charge of the unit (-5.000999) is not zero.\n",
            "\n",
            "/usr/local/bin/teLeap: Note.\n",
            "Ignoring the warnings from Unit Checking.\n",
            "\n",
            "Building topology.\n",
            "Building atom parameters.\n",
            "Building bond parameters.\n",
            "Building angle parameters.\n",
            "Building proper torsion parameters.\n",
            "Building improper torsion parameters.\n",
            "old PREP-specified impropers:\n",
            " <UNL 1>:  C24  O3   C23  O2  \n",
            " <UNL 1>:  C18  C22  C20  O2  \n",
            " <UNL 1>:  C20  C19  C18  H11 \n",
            " <UNL 1>:  C18  C17  C19  H12 \n",
            " <UNL 1>:  C20  C21  C22  H14 \n",
            " <UNL 1>:  C22  C17  C21  H13 \n",
            " <UNL 1>:  C19  C21  C17  C16 \n",
            " <UNL 1>:  C17  C8   C16  H10 \n",
            " <UNL 1>:  C7   C9   C8   C16 \n",
            " <UNL 1>:  C8   N1   C7   O1  \n",
            " <UNL 1>:  C8   N    C9   O   \n",
            " <UNL 1>:  C9   C6   N    C3  \n",
            " <UNL 1>:  C5   C1   C3   N   \n",
            " <UNL 1>:  C3   C4   C5   H4  \n",
            " <UNL 1>:  C5   C    C4   H3  \n",
            " <UNL 1>:  C4   C2   C    H   \n",
            " <UNL 1>:  C    C1   C2   H2  \n",
            " <UNL 1>:  C3   C2   C1   H1  \n",
            " <UNL 1>:  N    N1   C6   S   \n",
            " <UNL 1>:  C7   C6   N1   C10 \n",
            " <UNL 1>:  C12  C14  C10  N1  \n",
            " <UNL 1>:  C10  C11  C12  H6  \n",
            " <UNL 1>:  C12  C13  C11  H5  \n",
            " <UNL 1>:  C11  C15  C13  H7  \n",
            " <UNL 1>:  C13  C14  C15  H9  \n",
            " <UNL 1>:  C10  C15  C14  H8  \n",
            " total 651 improper torsions applied\n",
            " 26 improper torsions in old prep form\n",
            "Building H-Bond parameters.\n",
            "Incorporating Non-Bonded adjustments.\n",
            "Not Marking per-residue atom chain types.\n",
            "Marking per-residue atom chain types.\n",
            "  (Residues lacking connect0/connect1 - \n",
            "   these don't have chain types marked:\n",
            "\n",
            "\tres\ttotal affected\n",
            "\n",
            "\tCASP\t1\n",
            "\tCGLU\t1\n",
            "\tNASP\t1\n",
            "\tNGLY\t1\n",
            "  )\n",
            " (no restraints)\n",
            "\n",
            "/usr/local/bin/teLeap: Warning!\n",
            "addIons: 1st Ion & target unit have charges of the same sign:\n",
            "     unit charge = -5.001; ion1 charge = -1;\n",
            "     can't neutralize.\n",
            "5 Na+ ions required to neutralize.\n",
            "Adding 5 counter ions to \"cc\" using 1A grid\n",
            "Grid extends from solute vdw + 1.37  to  7.37\n",
            "Resolution:      1.00 Angstrom.\n",
            " (no solvent present)\n",
            "Calculating grid charges\n",
            "Placed Na+ in cc at (20.53, 7.75, 9.90).\n",
            "Placed Na+ in cc at (32.53, -19.25, 41.90).\n",
            "Placed Na+ in cc at (37.53, -31.25, -4.10).\n",
            "Placed Na+ in cc at (25.53, -22.25, 34.90).\n",
            "Placed Na+ in cc at (44.53, -17.25, 27.90).\n",
            "\n",
            "Done adding ions.\n",
            "  Solute vdw bounding box:              55.232 55.737 49.975\n",
            "  Total bounding box for atom centers:  95.232 95.737 89.975\n",
            "  Solvent unit box:                     18.774 18.774 18.774\n",
            "  Total vdw box size:                   97.868 98.441 93.020 angstroms.\n",
            "  Volume: 896177.130 A^3 \n",
            "  Total mass 463563.988 amu,  Density 0.859 g/cc\n",
            "  Added 24463 residues.\n",
            "Checking Unit.\n",
            "\n",
            "/usr/local/bin/teLeap: Warning!\n",
            "There is a bond of 7.650 angstroms between C and N atoms:\n",
            "-------  .R<PRO 52>.A<C 13> and .R<ALA 53>.A<N 1>\n",
            "\n",
            "/usr/local/bin/teLeap: Note.\n",
            "Ignoring the warning from Unit Checking.\n",
            "\n",
            "Building topology.\n",
            "Building atom parameters.\n",
            "Building bond parameters.\n",
            "Building angle parameters.\n",
            "Building proper torsion parameters.\n",
            "Building improper torsion parameters.\n",
            "old PREP-specified impropers:\n",
            " <UNL 1>:  C24  O3   C23  O2  \n",
            " <UNL 1>:  C18  C22  C20  O2  \n",
            " <UNL 1>:  C20  C19  C18  H11 \n",
            " <UNL 1>:  C18  C17  C19  H12 \n",
            " <UNL 1>:  C20  C21  C22  H14 \n",
            " <UNL 1>:  C22  C17  C21  H13 \n",
            " <UNL 1>:  C19  C21  C17  C16 \n",
            " <UNL 1>:  C17  C8   C16  H10 \n",
            " <UNL 1>:  C7   C9   C8   C16 \n",
            " <UNL 1>:  C8   N1   C7   O1  \n",
            " <UNL 1>:  C8   N    C9   O   \n",
            " <UNL 1>:  C9   C6   N    C3  \n",
            " <UNL 1>:  C5   C1   C3   N   \n",
            " <UNL 1>:  C3   C4   C5   H4  \n",
            " <UNL 1>:  C5   C    C4   H3  \n",
            " <UNL 1>:  C4   C2   C    H   \n",
            " <UNL 1>:  C    C1   C2   H2  \n",
            " <UNL 1>:  C3   C2   C1   H1  \n",
            " <UNL 1>:  N    N1   C6   S   \n",
            " <UNL 1>:  C7   C6   N1   C10 \n",
            " <UNL 1>:  C12  C14  C10  N1  \n",
            " <UNL 1>:  C10  C11  C12  H6  \n",
            " <UNL 1>:  C12  C13  C11  H5  \n",
            " <UNL 1>:  C11  C15  C13  H7  \n",
            " <UNL 1>:  C13  C14  C15  H9  \n",
            " <UNL 1>:  C10  C15  C14  H8  \n",
            " total 651 improper torsions applied\n",
            " 26 improper torsions in old prep form\n",
            "Building H-Bond parameters.\n",
            "Incorporating Non-Bonded adjustments.\n",
            "Not Marking per-residue atom chain types.\n",
            "Marking per-residue atom chain types.\n",
            "  (Residues lacking connect0/connect1 - \n",
            "   these don't have chain types marked:\n",
            "\n",
            "\tres\ttotal affected\n",
            "\n",
            "\tCASP\t1\n",
            "\tCGLU\t1\n",
            "\tNASP\t1\n",
            "\tNGLY\t1\n",
            "\tWAT\t24463\n",
            "  )\n",
            " (no restraints)\n",
            "\tQuit\n",
            "\n",
            "Exiting LEaP: Errors = 0; Warnings = 5; Notes = 2.\n",
            "total 21704\n",
            "-rw-r--r-- 1 root root     5761 Apr 23 13:42 ANTECHAMBER_AC.AC\n",
            "-rw-r--r-- 1 root root     5761 Apr 23 13:42 ANTECHAMBER_AC.AC0\n",
            "-rw-r--r-- 1 root root     5761 Apr 23 13:46 ANTECHAMBER_AM1BCC.AC\n",
            "-rw-r--r-- 1 root root     5761 Apr 23 13:46 ANTECHAMBER_AM1BCC_PRE.AC\n",
            "-rw-r--r-- 1 root root     5761 Apr 23 13:42 ANTECHAMBER_BOND_TYPE.AC\n",
            "-rw-r--r-- 1 root root     5761 Apr 23 13:42 ANTECHAMBER_BOND_TYPE.AC0\n",
            "-rw-r--r-- 1 root root     5761 Apr 23 13:46 ANTECHAMBER_PREP.AC\n",
            "-rw-r--r-- 1 root root     5761 Apr 23 13:46 ANTECHAMBER_PREP.AC0\n",
            "-rw-r--r-- 1 root root    12663 Apr 23 13:46 ATOMTYPE.INF\n",
            "-rw-r--r-- 1 root root    20653 Apr 23 12:54 condacolab_install.log\n",
            "-rw-r--r-- 1 root root      151 Apr 23 12:58 conf\n",
            "-rw-r--r-- 1 root root     1552 Apr 23 13:46 dock.frcmod\n",
            "-rw-r--r-- 1 root root     3154 Apr 23 12:58 dock.mol\n",
            "-rw-r--r-- 1 root root     5204 Apr 23 12:58 dock.mol2\n",
            "-rw-r--r-- 1 root root     2664 Apr 23 13:41 dock-out.pdb\n",
            "-rw-r--r-- 1 root root    63091 Apr 23 13:00 dock-out.pdbqt\n",
            "-rw-r--r-- 1 root root     3471 Apr 23 13:00 dock-out.txt\n",
            "-rw-r--r-- 1 root root     4587 Apr 23 13:46 dock.prepi\n",
            "-rw-r--r-- 1 root root    19229 Apr 23 13:46 leap.log\n",
            "-rw-r--r-- 1 root root     5574 Apr 23 12:59 ligand.mol2\n",
            "-rw-r--r-- 1 root root     3087 Apr 23 12:59 ligand.pdbqt\n",
            "-rw-r--r-- 1 root root     3250 Apr 23 13:46 NEWPDB.PDB\n",
            "-rw-r--r-- 1 root root     6059 Apr 23 13:46 PREP.INF\n",
            "drwxr-xr-x 8 root root     4096 Apr 23 12:57 qvina\n",
            "-rwxr--r-- 1 root root  4279488 Apr 23 12:57 qvina-w\n",
            "-rw-r--r-- 1 root root   127660 Apr 23 12:58 rec.pdb\n",
            "-rw-r--r-- 1 root root   126056 Apr 23 12:59 rec.pdbqt\n",
            "drwxr-xr-x 1 root root     4096 Apr 19 13:37 sample_data\n",
            "-rw-r--r-- 1 root root     2832 Apr 23 13:42 sqm.in\n",
            "-rw-r--r-- 1 root root    15045 Apr 23 13:46 sqm.out\n",
            "-rw-r--r-- 1 root root     3950 Apr 23 13:46 sqm.pdb\n",
            "-rw-r--r-- 1 root root      440 Apr 23 13:46 tleapin\n",
            "-rw-r--r-- 1 root root   115470 Apr 23 13:46 z.crd\n",
            "-rw-r--r-- 1 root root  1389936 Apr 23 13:46 z.top\n",
            "-rw-r--r-- 1 root root  2794424 Apr 23 13:46 zw.crd\n",
            "-rw-r--r-- 1 root root 13083831 Apr 23 13:46 zw.top\n"
          ]
        }
      ],
      "source": [
        "!antechamber -fi mol2 -fo prepi -i dock.mol2 -o dock.prepi -c bcc -j 4 -at gaff\n",
        "!parmchk2 -i dock.prepi -o dock.frcmod -f prepi\n",
        "##leaprc.water.tip3p\n",
        "!rm -rf tleapin\n",
        "\n",
        "with open(\"tleapin\", \"w\") as output:\n",
        "    output.write('source /usr/local/dat/leap/cmd/leaprc.protein.ff14SB'+'\\n')\n",
        "    output.write('source /usr/local/dat/leap/cmd/leaprc.gaff'+'\\n')\n",
        "    output.write('source /usr/local/dat/leap/cmd/leaprc.water.tip3p'+'\\n')\n",
        "    output.write('loadamberprep dock.prepi'+'\\n')\n",
        "    output.write('mod = loadAmberParams dock.frcmod'+'\\n')\n",
        "    output.write('set UNL head null'+'\\n')\n",
        "    output.write('set UNL tail null'+'\\n')\n",
        "    output.write('aa = loadpdb dock-out.pdb '+'\\n')\n",
        "    output.write('bb = loadpdb rec.pdb '+'\\n')\n",
        "    output.write('cc = combine {aa bb}'+'\\n')\n",
        "    output.write('saveAmberParm cc  z.top z.crd'+'\\n')\n",
        "    output.write('addions cc Cl- 0'+'\\n')\n",
        "    output.write('addions cc Na+ 0'+'\\n')\n",
        "    output.write('solvatebox cc TIP3PBOX 20.0'+'\\n')\n",
        "    output.write('saveAmberParm cc  zw.top zw.crd'+'\\n')\n",
        "    output.write('quit'+'\\n')\n",
        "\n",
        "!tleap -s -f tleapin\n",
        "!ls -l"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "2s3VRzGEPX1_"
      },
      "source": [
        "OPENMM cMD simulations for 5000 steps (implicitSolvent)"
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "from simtk.openmm import *\n",
        "from simtk.openmm.app import *\n",
        "from simtk.unit import *\n",
        "from mdtraj.reporters import NetCDFReporter\n",
        "\n",
        "# Input Files\n",
        "\n",
        "prmtop = AmberPrmtopFile('zw.top')\n",
        "inpcrd = AmberInpcrdFile('zw.crd')\n",
        "\n",
        "# System Configuration\n",
        "\n",
        "nonbondedMethod = PME\n",
        "nonbondedCutoff = 1.0*nanometers\n",
        "ewaldErrorTolerance = 0.0005\n",
        "constraints = HBonds\n",
        "rigidWater = True\n",
        "constraintTolerance = 0.000001\n",
        "hydrogenMass = 1.5*amu\n",
        "\n",
        "# Integration Options\n",
        "\n",
        "dt = 0.004*picoseconds\n",
        "temperature = 300*kelvin\n",
        "friction = 1.0/picosecond\n",
        "pressure = 1.0*atmospheres\n",
        "barostatInterval = 25\n",
        "\n",
        "# Simulation Options\n",
        "\n",
        "steps = 500000\n",
        "equilibrationSteps = 10000\n",
        "platform = Platform.getPlatformByName('CUDA')\n",
        "platformProperties = {'Precision': 'mixed'}\n",
        "dcdReporter = DCDReporter('trajectory.dcd', 1000)\n",
        "dataReporter = StateDataReporter('log.txt', 1000, totalSteps=steps,\n",
        "    step=True, time=True, speed=True, progress=True, potentialEnergy=True, temperature=True, density=True, separator='\\t')\n",
        "checkpointReporter = CheckpointReporter('checkpoint.chk', 1000)\n",
        "\n",
        "# Prepare the Simulation\n",
        "\n",
        "print('Building system...')\n",
        "topology = prmtop.topology\n",
        "positions = inpcrd.positions\n",
        "system = prmtop.createSystem(nonbondedMethod=nonbondedMethod, nonbondedCutoff=nonbondedCutoff,\n",
        "    constraints=constraints, rigidWater=rigidWater, ewaldErrorTolerance=ewaldErrorTolerance, hydrogenMass=hydrogenMass)\n",
        "system.addForce(MonteCarloBarostat(pressure, temperature, barostatInterval))\n",
        "integrator = LangevinMiddleIntegrator(temperature, friction, dt)\n",
        "integrator.setConstraintTolerance(constraintTolerance)\n",
        "simulation = Simulation(topology, system, integrator, platform)\n",
        "simulation.context.setPositions(positions)\n",
        "if inpcrd.boxVectors is not None:\n",
        "    simulation.context.setPeriodicBoxVectors(*inpcrd.boxVectors)\n",
        "\n",
        "# Write XML serialized objects\n",
        "\n",
        "with open(\"system.xml\", mode=\"w\") as file:\n",
        "    file.write(XmlSerializer.serialize(system))\n",
        "with open(\"integrator.xml\", mode=\"w\") as file:\n",
        "    file.write(XmlSerializer.serialize(integrator))\n",
        "\n",
        "# Minimize and Equilibrate\n",
        "\n",
        "print('Performing energy minimization...')\n",
        "simulation.minimizeEnergy()\n",
        "print('Equilibrating...')\n",
        "simulation.context.setVelocitiesToTemperature(temperature)\n",
        "simulation.step(equilibrationSteps)\n",
        "\n",
        "# Simulate\n",
        "\n",
        "print('Simulating...')\n",
        "simulation.reporters.append(\n",
        "        NetCDFReporter('amber.nc', 100)\n",
        ")\n",
        "simulation.reporters.append(dcdReporter)\n",
        "simulation.reporters.append(dataReporter)\n",
        "simulation.reporters.append(checkpointReporter)\n",
        "simulation.currentStep = 0\n",
        "simulation.reporters.append(NetCDFReporter('amber.nc', 1000))   # <-- AMBER compatible\n",
        "simulation.step(steps)\n",
        "\n",
        "# Write file with final simulation state\n",
        "\n",
        "simulation.saveState(\"final_state.xml\")\n",
        "print('Simulating end...')"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "kBNc3-0Ph1OB",
        "outputId": "bc5e08c6-7c7f-4257-81d6-43970c323e2e"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stderr",
          "text": [
            "Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.\n"
          ]
        },
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Building system...\n",
            "Performing energy minimization...\n",
            "Equilibrating...\n",
            "Simulating...\n"
          ]
        }
      ]
    },
    {
      "cell_type": "markdown",
      "source": [
        "download md files"
      ],
      "metadata": {
        "id": "-DCd9Bgsnfcc"
      }
    },
    {
      "cell_type": "code",
      "source": [
        "import os\n",
        "with open(\"cpptrajdcd\", \"w\") as output:\n",
        "    output.write('parm zw.top'+'\\n')\n",
        "    output.write('trajin amber.nc'+'\\n')\n",
        "    output.write('strip :WAT'+'\\n')\n",
        "    output.write('strip :Cl-'+'\\n')\n",
        "    output.write('strip :Na+'+'\\n')\n",
        "    output.write('trajout amber.x nobox'+'\\n')\n",
        "\n",
        "cmd ='cpptraj -i cpptrajdcd'\n",
        "os.system(cmd)\n",
        "\n",
        "from google.colab import files\n",
        "files.download('z.top')\n",
        "files.download('z.crd')\n",
        "files.download('amber.x')"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 17
        },
        "id": "UK7T7XVanB-Q",
        "outputId": "d32fbc70-9349-4849-9bf3-0d907bfd1f95"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<IPython.core.display.Javascript object>"
            ],
            "application/javascript": [
              "\n",
              "    async function download(id, filename, size) {\n",
              "      if (!google.colab.kernel.accessAllowed) {\n",
              "        return;\n",
              "      }\n",
              "      const div = document.createElement('div');\n",
              "      const label = document.createElement('label');\n",
              "      label.textContent = `Downloading \"${filename}\": `;\n",
              "      div.appendChild(label);\n",
              "      const progress = document.createElement('progress');\n",
              "      progress.max = size;\n",
              "      div.appendChild(progress);\n",
              "      document.body.appendChild(div);\n",
              "\n",
              "      const buffers = [];\n",
              "      let downloaded = 0;\n",
              "\n",
              "      const channel = await google.colab.kernel.comms.open(id);\n",
              "      // Send a message to notify the kernel that we're ready.\n",
              "      channel.send({})\n",
              "\n",
              "      for await (const message of channel.messages) {\n",
              "        // Send a message to notify the kernel that we're ready.\n",
              "        channel.send({})\n",
              "        if (message.buffers) {\n",
              "          for (const buffer of message.buffers) {\n",
              "            buffers.push(buffer);\n",
              "            downloaded += buffer.byteLength;\n",
              "            progress.value = downloaded;\n",
              "          }\n",
              "        }\n",
              "      }\n",
              "      const blob = new Blob(buffers, {type: 'application/binary'});\n",
              "      const a = document.createElement('a');\n",
              "      a.href = window.URL.createObjectURL(blob);\n",
              "      a.download = filename;\n",
              "      div.appendChild(a);\n",
              "      a.click();\n",
              "      div.remove();\n",
              "    }\n",
              "  "
            ]
          },
          "metadata": {}
        },
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<IPython.core.display.Javascript object>"
            ],
            "application/javascript": [
              "download(\"download_d99d48b1-b429-4099-96bf-9ecb09f777c4\", \"z.top\", 1081966)"
            ]
          },
          "metadata": {}
        },
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<IPython.core.display.Javascript object>"
            ],
            "application/javascript": [
              "\n",
              "    async function download(id, filename, size) {\n",
              "      if (!google.colab.kernel.accessAllowed) {\n",
              "        return;\n",
              "      }\n",
              "      const div = document.createElement('div');\n",
              "      const label = document.createElement('label');\n",
              "      label.textContent = `Downloading \"${filename}\": `;\n",
              "      div.appendChild(label);\n",
              "      const progress = document.createElement('progress');\n",
              "      progress.max = size;\n",
              "      div.appendChild(progress);\n",
              "      document.body.appendChild(div);\n",
              "\n",
              "      const buffers = [];\n",
              "      let downloaded = 0;\n",
              "\n",
              "      const channel = await google.colab.kernel.comms.open(id);\n",
              "      // Send a message to notify the kernel that we're ready.\n",
              "      channel.send({})\n",
              "\n",
              "      for await (const message of channel.messages) {\n",
              "        // Send a message to notify the kernel that we're ready.\n",
              "        channel.send({})\n",
              "        if (message.buffers) {\n",
              "          for (const buffer of message.buffers) {\n",
              "            buffers.push(buffer);\n",
              "            downloaded += buffer.byteLength;\n",
              "            progress.value = downloaded;\n",
              "          }\n",
              "        }\n",
              "      }\n",
              "      const blob = new Blob(buffers, {type: 'application/binary'});\n",
              "      const a = document.createElement('a');\n",
              "      a.href = window.URL.createObjectURL(blob);\n",
              "      a.download = filename;\n",
              "      div.appendChild(a);\n",
              "      a.click();\n",
              "      div.remove();\n",
              "    }\n",
              "  "
            ]
          },
          "metadata": {}
        },
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<IPython.core.display.Javascript object>"
            ],
            "application/javascript": [
              "download(\"download_7df6f9e3-2a6b-4335-94c6-fbf4d2a9053a\", \"amber.x\", 1189821)"
            ]
          },
          "metadata": {}
        }
      ]
    }
  ],
  "metadata": {
    "colab": {
      "provenance": [],
      "include_colab_link": true
    },
    "gpuClass": "standard",
    "kernelspec": {
      "display_name": "Python 3",
      "name": "python3"
    },
    "accelerator": "GPU"
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